USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 728 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 57 GLN : amide:sc= 0.866 K(o=2.2,f=-1.1) USER MOD Set 1.2: A 79 SER OG : rot -87:sc= 1.35 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= -1.33 F(o=-2,f=-1.3) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0175 USER MOD Single : A 47 GLN : amide:sc= -0.0671 X(o=-0.067,f=-0.32) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -20:sc= -7.75! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.64 K(o=-1.6,f=-3.6!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0156 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -6.54! C(o=-6.5!,f=-10!) USER MOD Single : A 77 ASN : amide:sc= -0.587 X(o=-0.59,f=-0.092) USER MOD Single : A 80 THR OG1 : rot -123:sc= 0.274 USER MOD Single : A 84 GLN : amide:sc= -0.0911 K(o=-0.091,f=-1.7!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.385 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 203 N LEU A 17 -5.185 -6.379 -2.338 1.00 0.00 N ATOM 204 CA LEU A 17 -3.909 -5.762 -2.018 1.00 0.00 C ATOM 205 C LEU A 17 -3.960 -5.203 -0.595 1.00 0.00 C ATOM 206 O LEU A 17 -5.035 -4.899 -0.082 1.00 0.00 O ATOM 207 CB LEU A 17 -3.538 -4.719 -3.075 1.00 0.00 C ATOM 208 CG LEU A 17 -3.367 -5.243 -4.502 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.152 -4.387 -5.498 1.00 0.00 C ATOM 210 CD2 LEU A 17 -1.886 -5.344 -4.876 1.00 0.00 C ATOM 0 HA LEU A 17 -3.111 -6.504 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.308 -3.948 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.608 -4.238 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.780 -6.251 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.013 -4.781 -6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.211 -4.410 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.791 -3.359 -5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.793 -5.719 -5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.426 -4.358 -4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.383 -6.027 -4.191 1.00 0.00 H new ATOM 222 N TRP A 18 -2.783 -5.086 0.003 1.00 0.00 N ATOM 223 CA TRP A 18 -2.680 -4.569 1.357 1.00 0.00 C ATOM 224 C TRP A 18 -1.208 -4.255 1.633 1.00 0.00 C ATOM 225 O TRP A 18 -0.337 -4.596 0.834 1.00 0.00 O ATOM 226 CB TRP A 18 -3.280 -5.551 2.366 1.00 0.00 C ATOM 227 CG TRP A 18 -2.832 -7.000 2.166 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.376 -7.929 1.367 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.719 -7.653 2.812 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.697 -9.128 1.450 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.658 -8.954 2.357 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.795 -7.160 3.749 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.689 -9.871 2.784 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.167 -8.088 4.166 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.242 -9.402 3.718 1.00 0.00 C ATOM 0 H TRP A 18 -1.893 -5.340 -0.425 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.258 -3.651 1.464 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.008 -5.233 3.373 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.367 -5.505 2.300 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.237 -7.760 0.738 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.917 -9.984 0.940 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.825 -6.146 4.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.662 -10.885 2.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.902 -7.760 4.886 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.015 -10.058 4.089 1.00 0.00 H new ATOM 246 N LEU A 19 -0.977 -3.607 2.765 1.00 0.00 N ATOM 247 CA LEU A 19 0.375 -3.242 3.155 1.00 0.00 C ATOM 248 C LEU A 19 0.800 -4.089 4.356 1.00 0.00 C ATOM 249 O LEU A 19 -0.019 -4.408 5.217 1.00 0.00 O ATOM 250 CB LEU A 19 0.474 -1.735 3.399 1.00 0.00 C ATOM 251 CG LEU A 19 -0.105 -0.838 2.303 1.00 0.00 C ATOM 252 CD1 LEU A 19 -0.182 0.617 2.768 1.00 0.00 C ATOM 253 CD2 LEU A 19 0.688 -0.982 1.002 1.00 0.00 C ATOM 0 H LEU A 19 -1.702 -3.325 3.424 1.00 0.00 H new ATOM 0 HA LEU A 19 1.076 -3.457 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.034 -1.505 4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.524 -1.477 3.534 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.125 -1.164 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.597 1.233 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.822 0.684 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.818 0.972 3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.256 -0.334 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.726 -0.697 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.648 -2.017 0.664 1.00 0.00 H new ATOM 265 N GLN A 20 2.080 -4.429 4.376 1.00 0.00 N ATOM 266 CA GLN A 20 2.624 -5.232 5.458 1.00 0.00 C ATOM 267 C GLN A 20 3.638 -4.419 6.266 1.00 0.00 C ATOM 268 O GLN A 20 4.716 -4.097 5.770 1.00 0.00 O ATOM 269 CB GLN A 20 3.256 -6.518 4.921 1.00 0.00 C ATOM 270 CG GLN A 20 3.498 -7.523 6.050 1.00 0.00 C ATOM 271 CD GLN A 20 4.226 -8.765 5.531 1.00 0.00 C ATOM 272 OE1 GLN A 20 5.121 -8.692 4.705 1.00 0.00 O ATOM 273 NE2 GLN A 20 3.794 -9.906 6.061 1.00 0.00 N ATOM 0 H GLN A 20 2.756 -4.163 3.660 1.00 0.00 H new ATOM 0 HA GLN A 20 1.806 -5.516 6.120 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.604 -6.961 4.168 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.200 -6.285 4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.087 -7.055 6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.546 -7.814 6.493 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.040 -9.896 6.748 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.217 -10.791 5.780 1.00 0.00 H new ATOM 349 N PRO A 27 -1.612 -3.011 12.042 1.00 0.00 N ATOM 350 CA PRO A 27 -2.120 -4.214 11.406 1.00 0.00 C ATOM 351 C PRO A 27 -2.097 -4.080 9.882 1.00 0.00 C ATOM 352 O PRO A 27 -1.793 -3.011 9.354 1.00 0.00 O ATOM 353 CB PRO A 27 -3.523 -4.391 11.965 1.00 0.00 C ATOM 354 CG PRO A 27 -3.920 -3.038 12.533 1.00 0.00 C ATOM 355 CD PRO A 27 -2.664 -2.187 12.630 1.00 0.00 C ATOM 0 HA PRO A 27 -1.508 -5.091 11.615 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.217 -4.706 11.186 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.541 -5.159 12.738 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.659 -2.557 11.892 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.378 -3.156 13.515 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.780 -1.247 12.090 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.436 -1.933 13.665 1.00 0.00 H new ATOM 363 N PRO A 28 -2.431 -5.208 9.201 1.00 0.00 N ATOM 364 CA PRO A 28 -2.451 -5.227 7.748 1.00 0.00 C ATOM 365 C PRO A 28 -3.680 -4.495 7.207 1.00 0.00 C ATOM 366 O PRO A 28 -4.792 -5.018 7.262 1.00 0.00 O ATOM 367 CB PRO A 28 -2.423 -6.700 7.373 1.00 0.00 C ATOM 368 CG PRO A 28 -2.857 -7.455 8.619 1.00 0.00 C ATOM 369 CD PRO A 28 -2.796 -6.492 9.793 1.00 0.00 C ATOM 0 HA PRO A 28 -1.603 -4.702 7.309 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.095 -6.904 6.539 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.424 -7.004 7.060 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.868 -7.844 8.497 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.205 -8.311 8.793 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.756 -6.433 10.307 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.059 -6.812 10.530 1.00 0.00 H new ATOM 377 N ILE A 29 -3.439 -3.297 6.697 1.00 0.00 N ATOM 378 CA ILE A 29 -4.513 -2.488 6.146 1.00 0.00 C ATOM 379 C ILE A 29 -4.858 -2.992 4.743 1.00 0.00 C ATOM 380 O ILE A 29 -3.973 -3.157 3.904 1.00 0.00 O ATOM 381 CB ILE A 29 -4.144 -1.004 6.193 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.095 -0.496 7.636 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.094 -0.175 5.326 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.683 -0.041 8.009 1.00 0.00 C ATOM 0 H ILE A 29 -2.515 -2.866 6.654 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.414 -2.588 6.751 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.143 -0.888 5.777 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.792 0.333 7.757 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.418 -1.286 8.315 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.810 0.876 5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.035 -0.517 4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.115 -0.293 5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.676 0.315 9.039 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.993 -0.879 7.910 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.373 0.765 7.344 1.00 0.00 H new ATOM 396 N PHE A 30 -6.145 -3.222 4.531 1.00 0.00 N ATOM 397 CA PHE A 30 -6.618 -3.704 3.244 1.00 0.00 C ATOM 398 C PHE A 30 -7.166 -2.554 2.396 1.00 0.00 C ATOM 399 O PHE A 30 -8.164 -1.933 2.757 1.00 0.00 O ATOM 400 CB PHE A 30 -7.746 -4.697 3.526 1.00 0.00 C ATOM 401 CG PHE A 30 -7.267 -6.128 3.779 1.00 0.00 C ATOM 402 CD1 PHE A 30 -6.714 -6.458 4.977 1.00 0.00 C ATOM 403 CD2 PHE A 30 -7.394 -7.070 2.806 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.269 -7.786 5.212 1.00 0.00 C ATOM 405 CE2 PHE A 30 -6.949 -8.398 3.041 1.00 0.00 C ATOM 406 CZ PHE A 30 -6.396 -8.728 4.239 1.00 0.00 C ATOM 0 H PHE A 30 -6.876 -3.084 5.229 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.798 -4.166 2.695 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.309 -4.354 4.394 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.434 -4.699 2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.613 -5.710 5.750 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.833 -6.808 1.855 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.830 -8.048 6.163 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.050 -9.146 2.268 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.058 -9.738 4.418 1.00 0.00 H new ATOM 416 N LEU A 31 -6.488 -2.306 1.285 1.00 0.00 N ATOM 417 CA LEU A 31 -6.895 -1.242 0.383 1.00 0.00 C ATOM 418 C LEU A 31 -8.220 -1.621 -0.281 1.00 0.00 C ATOM 419 O LEU A 31 -8.629 -2.780 -0.242 1.00 0.00 O ATOM 420 CB LEU A 31 -5.777 -0.927 -0.613 1.00 0.00 C ATOM 421 CG LEU A 31 -4.354 -1.236 -0.143 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.319 -0.614 -1.082 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.148 -0.798 1.308 1.00 0.00 C ATOM 0 H LEU A 31 -5.660 -2.823 0.989 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.067 -0.319 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.965 -1.486 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.832 0.131 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.211 -2.316 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.316 -0.849 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.450 -1.017 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.452 0.468 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.128 -1.029 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.318 0.275 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.851 -1.328 1.951 1.00 0.00 H new ATOM 435 N PRO A 32 -8.872 -0.594 -0.889 1.00 0.00 N ATOM 436 CA PRO A 32 -10.143 -0.807 -1.560 1.00 0.00 C ATOM 437 C PRO A 32 -9.944 -1.520 -2.899 1.00 0.00 C ATOM 438 O PRO A 32 -8.811 -1.730 -3.332 1.00 0.00 O ATOM 439 CB PRO A 32 -10.747 0.579 -1.710 1.00 0.00 C ATOM 440 CG PRO A 32 -9.595 1.556 -1.540 1.00 0.00 C ATOM 441 CD PRO A 32 -8.419 0.792 -0.955 1.00 0.00 C ATOM 0 HA PRO A 32 -10.811 -1.459 -0.997 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.218 0.696 -2.686 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.519 0.752 -0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.324 1.998 -2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.883 2.376 -0.882 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.533 0.889 -1.582 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.154 1.169 0.033 1.00 0.00 H new ATOM 449 N SER A 33 -11.061 -1.872 -3.519 1.00 0.00 N ATOM 450 CA SER A 33 -11.023 -2.556 -4.800 1.00 0.00 C ATOM 451 C SER A 33 -11.766 -1.734 -5.855 1.00 0.00 C ATOM 452 O SER A 33 -11.341 -1.667 -7.007 1.00 0.00 O ATOM 453 CB SER A 33 -11.629 -3.957 -4.694 1.00 0.00 C ATOM 454 OG SER A 33 -12.936 -3.931 -4.127 1.00 0.00 O ATOM 0 H SER A 33 -11.998 -1.696 -3.157 1.00 0.00 H new ATOM 0 HA SER A 33 -9.981 -2.662 -5.100 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.672 -4.409 -5.685 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.982 -4.587 -4.084 1.00 0.00 H new ATOM 0 HG SER A 33 -13.289 -4.844 -4.078 1.00 0.00 H new ATOM 460 N ASP A 34 -12.862 -1.129 -5.423 1.00 0.00 N ATOM 461 CA ASP A 34 -13.669 -0.314 -6.316 1.00 0.00 C ATOM 462 C ASP A 34 -12.758 0.646 -7.084 1.00 0.00 C ATOM 463 O ASP A 34 -13.054 1.011 -8.221 1.00 0.00 O ATOM 464 CB ASP A 34 -14.684 0.521 -5.533 1.00 0.00 C ATOM 465 CG ASP A 34 -16.072 0.615 -6.170 1.00 0.00 C ATOM 466 OD1 ASP A 34 -16.476 -0.386 -6.800 1.00 0.00 O ATOM 467 OD2 ASP A 34 -16.697 1.685 -6.012 1.00 0.00 O ATOM 0 H ASP A 34 -13.211 -1.186 -4.466 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.199 -0.981 -6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.787 0.097 -4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.287 1.529 -5.412 1.00 0.00 H new ATOM 472 N GLY A 35 -11.670 1.028 -6.432 1.00 0.00 N ATOM 473 CA GLY A 35 -10.715 1.938 -7.040 1.00 0.00 C ATOM 474 C GLY A 35 -10.437 3.133 -6.125 1.00 0.00 C ATOM 475 O GLY A 35 -9.630 4.000 -6.457 1.00 0.00 O ATOM 0 H GLY A 35 -11.429 0.724 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.784 1.409 -7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.101 2.290 -7.997 1.00 0.00 H new ATOM 479 N GLN A 36 -11.122 3.140 -4.991 1.00 0.00 N ATOM 480 CA GLN A 36 -10.959 4.214 -4.026 1.00 0.00 C ATOM 481 C GLN A 36 -9.475 4.456 -3.745 1.00 0.00 C ATOM 482 O GLN A 36 -8.621 3.700 -4.208 1.00 0.00 O ATOM 483 CB GLN A 36 -11.719 3.909 -2.733 1.00 0.00 C ATOM 484 CG GLN A 36 -13.148 4.451 -2.795 1.00 0.00 C ATOM 485 CD GLN A 36 -14.006 3.626 -3.757 1.00 0.00 C ATOM 486 OE1 GLN A 36 -14.594 2.576 -3.191 1.00 0.00 O flip ATOM 487 NE2 GLN A 36 -14.126 3.923 -4.934 1.00 0.00 N flip ATOM 0 H GLN A 36 -11.791 2.419 -4.719 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.381 5.125 -4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.742 2.832 -2.566 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.195 4.352 -1.886 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.591 4.432 -1.799 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.132 5.492 -3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.646 4.743 -5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.706 3.351 -5.548 1.00 0.00 H new ATOM 496 N ALA A 37 -9.212 5.511 -2.989 1.00 0.00 N ATOM 497 CA ALA A 37 -7.846 5.862 -2.642 1.00 0.00 C ATOM 498 C ALA A 37 -7.717 5.949 -1.120 1.00 0.00 C ATOM 499 O ALA A 37 -8.383 6.762 -0.482 1.00 0.00 O ATOM 500 CB ALA A 37 -7.462 7.171 -3.335 1.00 0.00 C ATOM 0 H ALA A 37 -9.923 6.135 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.154 5.095 -2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.437 7.434 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.541 7.048 -4.415 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.134 7.965 -3.010 1.00 0.00 H new ATOM 506 N LEU A 38 -6.855 5.098 -0.581 1.00 0.00 N ATOM 507 CA LEU A 38 -6.631 5.068 0.854 1.00 0.00 C ATOM 508 C LEU A 38 -5.482 6.016 1.206 1.00 0.00 C ATOM 509 O LEU A 38 -4.325 5.737 0.895 1.00 0.00 O ATOM 510 CB LEU A 38 -6.412 3.632 1.332 1.00 0.00 C ATOM 511 CG LEU A 38 -6.927 3.306 2.736 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.416 3.633 2.863 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.626 1.852 3.107 1.00 0.00 C ATOM 0 H LEU A 38 -6.304 4.424 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.513 5.425 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.893 2.957 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.344 3.418 1.300 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.396 3.937 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.757 3.392 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.573 4.694 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.981 3.046 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.002 1.647 4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.112 1.186 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.549 1.686 3.083 1.00 0.00 H new ATOM 525 N VAL A 39 -5.842 7.117 1.850 1.00 0.00 N ATOM 526 CA VAL A 39 -4.855 8.107 2.247 1.00 0.00 C ATOM 527 C VAL A 39 -4.165 7.645 3.532 1.00 0.00 C ATOM 528 O VAL A 39 -4.826 7.222 4.479 1.00 0.00 O ATOM 529 CB VAL A 39 -5.518 9.479 2.384 1.00 0.00 C ATOM 530 CG1 VAL A 39 -4.862 10.296 3.500 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.484 10.239 1.056 1.00 0.00 C ATOM 0 H VAL A 39 -6.803 7.345 2.106 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.084 8.208 1.483 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.562 9.321 2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.352 11.267 3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.961 9.764 4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.806 10.440 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.962 11.211 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.449 10.380 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.017 9.668 0.296 1.00 0.00 H new ATOM 541 N LEU A 40 -2.844 7.743 3.524 1.00 0.00 N ATOM 542 CA LEU A 40 -2.056 7.340 4.677 1.00 0.00 C ATOM 543 C LEU A 40 -1.328 8.561 5.242 1.00 0.00 C ATOM 544 O LEU A 40 -1.102 9.538 4.531 1.00 0.00 O ATOM 545 CB LEU A 40 -1.125 6.182 4.313 1.00 0.00 C ATOM 546 CG LEU A 40 -1.759 4.790 4.304 1.00 0.00 C ATOM 547 CD1 LEU A 40 -0.691 3.703 4.163 1.00 0.00 C ATOM 548 CD2 LEU A 40 -2.632 4.577 5.542 1.00 0.00 C ATOM 0 H LEU A 40 -2.299 8.096 2.737 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.703 6.960 5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.706 6.375 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.293 6.176 5.017 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.411 4.717 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.168 2.723 4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.148 3.846 3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.004 3.765 5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.071 3.580 5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.021 4.677 6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.427 5.323 5.559 1.00 0.00 H new ATOM 560 N GLY A 41 -0.980 8.465 6.517 1.00 0.00 N ATOM 561 CA GLY A 41 -0.281 9.549 7.186 1.00 0.00 C ATOM 562 C GLY A 41 -0.373 9.405 8.707 1.00 0.00 C ATOM 563 O GLY A 41 -0.658 8.321 9.215 1.00 0.00 O ATOM 0 H GLY A 41 -1.169 7.653 7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.765 9.555 6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.708 10.505 6.881 1.00 0.00 H new ATOM 567 N ARG A 42 -0.127 10.513 9.390 1.00 0.00 N ATOM 568 CA ARG A 42 -0.178 10.524 10.842 1.00 0.00 C ATOM 569 C ARG A 42 -1.520 9.973 11.330 1.00 0.00 C ATOM 570 O ARG A 42 -2.553 10.201 10.703 1.00 0.00 O ATOM 571 CB ARG A 42 0.014 11.939 11.390 1.00 0.00 C ATOM 572 CG ARG A 42 1.311 12.044 12.195 1.00 0.00 C ATOM 573 CD ARG A 42 1.358 13.351 12.989 1.00 0.00 C ATOM 574 NE ARG A 42 0.247 13.391 13.966 1.00 0.00 N ATOM 575 CZ ARG A 42 0.068 14.371 14.862 1.00 0.00 C ATOM 576 NH1 ARG A 42 0.927 15.398 14.910 1.00 0.00 N ATOM 577 NH2 ARG A 42 -0.969 14.324 15.709 1.00 0.00 N ATOM 0 H ARG A 42 0.108 11.410 8.965 1.00 0.00 H new ATOM 0 HA ARG A 42 0.632 9.893 11.207 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.034 12.652 10.566 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.833 12.206 12.022 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.390 11.197 12.877 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.167 11.992 11.522 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.313 13.436 13.508 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.287 14.201 12.310 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.425 12.624 13.957 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.716 15.433 14.265 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.792 16.145 15.592 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.623 13.542 15.672 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.105 15.070 16.391 1.00 0.00 H new ATOM 591 N GLY A 43 -1.461 9.259 12.445 1.00 0.00 N ATOM 592 CA GLY A 43 -2.658 8.675 13.024 1.00 0.00 C ATOM 593 C GLY A 43 -2.473 7.176 13.270 1.00 0.00 C ATOM 594 O GLY A 43 -1.368 6.653 13.134 1.00 0.00 O ATOM 0 H GLY A 43 -0.602 9.072 12.963 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.893 9.175 13.964 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.505 8.836 12.357 1.00 0.00 H new ATOM 598 N PRO A 44 -3.600 6.510 13.638 1.00 0.00 N ATOM 599 CA PRO A 44 -3.572 5.082 13.905 1.00 0.00 C ATOM 600 C PRO A 44 -3.484 4.283 12.603 1.00 0.00 C ATOM 601 O PRO A 44 -3.389 3.057 12.629 1.00 0.00 O ATOM 602 CB PRO A 44 -4.845 4.804 14.688 1.00 0.00 C ATOM 603 CG PRO A 44 -5.761 5.989 14.430 1.00 0.00 C ATOM 604 CD PRO A 44 -4.926 7.097 13.810 1.00 0.00 C ATOM 0 HA PRO A 44 -2.695 4.777 14.475 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.309 3.873 14.361 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.634 4.698 15.752 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.574 5.705 13.762 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.216 6.329 15.360 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.343 7.420 12.856 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.890 7.974 14.456 1.00 0.00 H new ATOM 612 N LEU A 45 -3.518 5.010 11.496 1.00 0.00 N ATOM 613 CA LEU A 45 -3.443 4.384 10.187 1.00 0.00 C ATOM 614 C LEU A 45 -2.138 3.593 10.079 1.00 0.00 C ATOM 615 O LEU A 45 -2.158 2.377 9.898 1.00 0.00 O ATOM 616 CB LEU A 45 -3.623 5.428 9.083 1.00 0.00 C ATOM 617 CG LEU A 45 -5.060 5.669 8.616 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.620 4.434 7.906 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.948 6.113 9.780 1.00 0.00 C ATOM 0 H LEU A 45 -3.596 6.027 11.479 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.259 3.673 10.057 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.213 6.375 9.435 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.028 5.123 8.222 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.051 6.482 7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.642 4.632 7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.004 4.204 7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.613 3.586 8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.964 6.277 9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.956 5.339 10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.558 7.039 10.202 1.00 0.00 H new ATOM 631 N THR A 46 -1.034 4.317 10.194 1.00 0.00 N ATOM 632 CA THR A 46 0.278 3.698 10.112 1.00 0.00 C ATOM 633 C THR A 46 1.015 3.830 11.446 1.00 0.00 C ATOM 634 O THR A 46 2.196 3.497 11.543 1.00 0.00 O ATOM 635 CB THR A 46 1.027 4.332 8.938 1.00 0.00 C ATOM 636 OG1 THR A 46 1.151 5.703 9.306 1.00 0.00 O ATOM 637 CG2 THR A 46 0.190 4.364 7.658 1.00 0.00 C ATOM 0 H THR A 46 -1.021 5.326 10.343 1.00 0.00 H new ATOM 0 HA THR A 46 0.199 2.627 9.926 1.00 0.00 H new ATOM 0 HB THR A 46 1.949 3.780 8.755 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.627 6.189 8.601 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.768 4.824 6.856 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.079 3.347 7.374 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.716 4.945 7.830 1.00 0.00 H new ATOM 645 N GLN A 47 0.289 4.318 12.441 1.00 0.00 N ATOM 646 CA GLN A 47 0.859 4.498 13.765 1.00 0.00 C ATOM 647 C GLN A 47 1.969 5.550 13.726 1.00 0.00 C ATOM 648 O GLN A 47 2.818 5.596 14.615 1.00 0.00 O ATOM 649 CB GLN A 47 1.380 3.172 14.323 1.00 0.00 C ATOM 650 CG GLN A 47 0.223 2.249 14.711 1.00 0.00 C ATOM 651 CD GLN A 47 0.197 2.008 16.222 1.00 0.00 C ATOM 652 OE1 GLN A 47 1.215 1.802 16.862 1.00 0.00 O ATOM 653 NE2 GLN A 47 -1.022 2.046 16.754 1.00 0.00 N ATOM 0 H GLN A 47 -0.689 4.594 12.357 1.00 0.00 H new ATOM 0 HA GLN A 47 0.073 4.851 14.433 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.008 2.682 13.579 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.007 3.361 15.194 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.722 2.691 14.393 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.321 1.297 14.189 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.832 2.224 16.160 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.146 1.898 17.755 1.00 0.00 H new ATOM 662 N VAL A 48 1.928 6.370 12.685 1.00 0.00 N ATOM 663 CA VAL A 48 2.920 7.418 12.519 1.00 0.00 C ATOM 664 C VAL A 48 2.514 8.635 13.353 1.00 0.00 C ATOM 665 O VAL A 48 1.358 9.053 13.327 1.00 0.00 O ATOM 666 CB VAL A 48 3.094 7.743 11.033 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.723 9.124 10.844 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.918 6.663 10.329 1.00 0.00 C ATOM 0 H VAL A 48 1.223 6.329 11.949 1.00 0.00 H new ATOM 0 HA VAL A 48 3.892 7.085 12.882 1.00 0.00 H new ATOM 0 HB VAL A 48 2.105 7.761 10.575 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.836 9.330 9.780 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.081 9.881 11.294 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.702 9.147 11.323 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.027 6.918 9.275 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.903 6.599 10.790 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.412 5.702 10.420 1.00 0.00 H new ATOM 678 N THR A 49 3.489 9.170 14.073 1.00 0.00 N ATOM 679 CA THR A 49 3.249 10.331 14.913 1.00 0.00 C ATOM 680 C THR A 49 4.080 11.521 14.430 1.00 0.00 C ATOM 681 O THR A 49 3.860 12.652 14.860 1.00 0.00 O ATOM 682 CB THR A 49 3.540 9.935 16.362 1.00 0.00 C ATOM 683 OG1 THR A 49 4.904 9.521 16.341 1.00 0.00 O ATOM 684 CG2 THR A 49 2.777 8.680 16.791 1.00 0.00 C ATOM 0 H THR A 49 4.447 8.821 14.092 1.00 0.00 H new ATOM 0 HA THR A 49 2.210 10.655 14.852 1.00 0.00 H new ATOM 0 HB THR A 49 3.280 10.762 17.023 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.177 9.248 17.242 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.020 8.443 17.827 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.705 8.857 16.701 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.062 7.845 16.151 1.00 0.00 H new ATOM 692 N ASP A 50 5.017 11.225 13.542 1.00 0.00 N ATOM 693 CA ASP A 50 5.882 12.257 12.995 1.00 0.00 C ATOM 694 C ASP A 50 5.024 13.387 12.424 1.00 0.00 C ATOM 695 O ASP A 50 4.121 13.142 11.625 1.00 0.00 O ATOM 696 CB ASP A 50 6.750 11.704 11.863 1.00 0.00 C ATOM 697 CG ASP A 50 7.963 12.564 11.499 1.00 0.00 C ATOM 698 OD1 ASP A 50 8.480 13.234 12.419 1.00 0.00 O ATOM 699 OD2 ASP A 50 8.345 12.532 10.310 1.00 0.00 O ATOM 0 H ASP A 50 5.197 10.286 13.187 1.00 0.00 H new ATOM 0 HA ASP A 50 6.524 12.620 13.798 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.099 10.711 12.145 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.129 11.583 10.975 1.00 0.00 H new ATOM 704 N ARG A 51 5.335 14.600 12.857 1.00 0.00 N ATOM 705 CA ARG A 51 4.603 15.768 12.399 1.00 0.00 C ATOM 706 C ARG A 51 4.706 15.897 10.878 1.00 0.00 C ATOM 707 O ARG A 51 3.702 16.104 10.199 1.00 0.00 O ATOM 708 CB ARG A 51 5.140 17.045 13.049 1.00 0.00 C ATOM 709 CG ARG A 51 4.860 17.053 14.554 1.00 0.00 C ATOM 710 CD ARG A 51 5.758 18.062 15.273 1.00 0.00 C ATOM 711 NE ARG A 51 5.664 17.869 16.737 1.00 0.00 N ATOM 712 CZ ARG A 51 6.604 18.259 17.608 1.00 0.00 C ATOM 713 NH1 ARG A 51 7.715 18.865 17.168 1.00 0.00 N ATOM 714 NH2 ARG A 51 6.434 18.043 18.920 1.00 0.00 N ATOM 0 H ARG A 51 6.084 14.799 13.520 1.00 0.00 H new ATOM 0 HA ARG A 51 3.560 15.638 12.686 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.213 17.123 12.875 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.678 17.916 12.585 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.814 17.301 14.732 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.026 16.057 14.964 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.791 17.939 14.947 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.460 19.077 15.012 1.00 0.00 H new ATOM 0 HE ARG A 51 4.831 17.410 17.106 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.845 19.029 16.170 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.431 19.162 17.831 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.589 17.581 19.256 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.150 18.340 19.583 1.00 0.00 H new ATOM 728 N LYS A 52 5.930 15.770 10.387 1.00 0.00 N ATOM 729 CA LYS A 52 6.178 15.869 8.959 1.00 0.00 C ATOM 730 C LYS A 52 5.151 15.020 8.207 1.00 0.00 C ATOM 731 O LYS A 52 4.822 15.311 7.058 1.00 0.00 O ATOM 732 CB LYS A 52 7.629 15.504 8.640 1.00 0.00 C ATOM 733 CG LYS A 52 8.599 16.488 9.296 1.00 0.00 C ATOM 734 CD LYS A 52 9.406 15.807 10.404 1.00 0.00 C ATOM 735 CE LYS A 52 10.464 16.754 10.973 1.00 0.00 C ATOM 736 NZ LYS A 52 11.558 15.987 11.609 1.00 0.00 N ATOM 0 H LYS A 52 6.761 15.599 10.953 1.00 0.00 H new ATOM 0 HA LYS A 52 6.051 16.898 8.621 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.839 14.493 8.990 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.779 15.505 7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.276 16.892 8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.044 17.330 9.710 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.736 15.484 11.201 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.888 14.912 10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.866 17.380 10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.008 17.422 11.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.267 16.645 11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.172 15.408 12.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.004 15.368 10.902 1.00 0.00 H new ATOM 750 N CYS A 53 4.674 13.987 8.886 1.00 0.00 N ATOM 751 CA CYS A 53 3.691 13.094 8.296 1.00 0.00 C ATOM 752 C CYS A 53 2.318 13.762 8.389 1.00 0.00 C ATOM 753 O CYS A 53 1.793 13.960 9.484 1.00 0.00 O ATOM 754 CB CYS A 53 3.703 11.718 8.967 1.00 0.00 C ATOM 755 SG CYS A 53 4.218 10.440 7.763 1.00 0.00 S ATOM 0 H CYS A 53 4.950 13.749 9.839 1.00 0.00 H new ATOM 0 HA CYS A 53 3.938 12.918 7.249 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.385 11.725 9.817 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.712 11.485 9.356 1.00 0.00 H new ATOM 0 HG CYS A 53 4.046 10.888 6.555 1.00 0.00 H new ATOM 761 N SER A 54 1.775 14.091 7.226 1.00 0.00 N ATOM 762 CA SER A 54 0.473 14.733 7.163 1.00 0.00 C ATOM 763 C SER A 54 -0.622 13.679 6.990 1.00 0.00 C ATOM 764 O SER A 54 -0.455 12.723 6.235 1.00 0.00 O ATOM 765 CB SER A 54 0.415 15.750 6.021 1.00 0.00 C ATOM 766 OG SER A 54 -0.312 16.920 6.384 1.00 0.00 O ATOM 0 H SER A 54 2.213 13.925 6.320 1.00 0.00 H new ATOM 0 HA SER A 54 0.310 15.268 8.099 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.428 16.028 5.732 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.050 15.290 5.149 1.00 0.00 H new ATOM 0 HG SER A 54 -0.325 17.545 5.629 1.00 0.00 H new ATOM 772 N ARG A 55 -1.719 13.889 7.704 1.00 0.00 N ATOM 773 CA ARG A 55 -2.841 12.968 7.639 1.00 0.00 C ATOM 774 C ARG A 55 -3.036 12.468 6.207 1.00 0.00 C ATOM 775 O ARG A 55 -3.428 11.322 5.993 1.00 0.00 O ATOM 776 CB ARG A 55 -4.131 13.638 8.117 1.00 0.00 C ATOM 777 CG ARG A 55 -4.004 14.097 9.571 1.00 0.00 C ATOM 778 CD ARG A 55 -4.677 15.455 9.779 1.00 0.00 C ATOM 779 NE ARG A 55 -5.139 15.583 11.179 1.00 0.00 N ATOM 780 CZ ARG A 55 -6.191 14.925 11.685 1.00 0.00 C ATOM 781 NH1 ARG A 55 -6.896 14.090 10.910 1.00 0.00 N ATOM 782 NH2 ARG A 55 -6.538 15.103 12.968 1.00 0.00 N ATOM 0 H ARG A 55 -1.854 14.683 8.330 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.617 12.126 8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.358 14.493 7.480 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.964 12.941 8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.458 13.357 10.230 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.951 14.164 9.844 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.977 16.257 9.544 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.522 15.559 9.098 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.625 16.211 11.797 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.632 13.955 9.934 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.697 13.590 11.296 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.001 15.739 13.558 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.339 14.603 13.354 1.00 0.00 H new ATOM 796 N ASN A 56 -2.752 13.352 5.261 1.00 0.00 N ATOM 797 CA ASN A 56 -2.891 13.014 3.855 1.00 0.00 C ATOM 798 C ASN A 56 -1.560 13.262 3.142 1.00 0.00 C ATOM 799 O ASN A 56 -1.494 14.050 2.199 1.00 0.00 O ATOM 800 CB ASN A 56 -3.957 13.881 3.183 1.00 0.00 C ATOM 801 CG ASN A 56 -5.247 13.900 4.004 1.00 0.00 C ATOM 802 OD1 ASN A 56 -5.274 14.297 5.158 1.00 0.00 O ATOM 803 ND2 ASN A 56 -6.312 13.449 3.348 1.00 0.00 N ATOM 0 H ASN A 56 -2.426 14.302 5.441 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.184 11.966 3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.582 14.898 3.065 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.164 13.499 2.183 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.221 13.421 3.810 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.220 13.132 2.383 1.00 0.00 H new ATOM 810 N GLN A 57 -0.532 12.575 3.618 1.00 0.00 N ATOM 811 CA GLN A 57 0.793 12.711 3.038 1.00 0.00 C ATOM 812 C GLN A 57 0.802 12.176 1.604 1.00 0.00 C ATOM 813 O GLN A 57 1.298 12.838 0.694 1.00 0.00 O ATOM 814 CB GLN A 57 1.842 12.001 3.895 1.00 0.00 C ATOM 815 CG GLN A 57 3.156 11.836 3.128 1.00 0.00 C ATOM 816 CD GLN A 57 3.815 13.192 2.871 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.541 14.180 3.533 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.697 13.185 1.876 1.00 0.00 N ATOM 0 H GLN A 57 -0.590 11.922 4.399 1.00 0.00 H new ATOM 0 HA GLN A 57 1.050 13.770 3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.018 12.571 4.807 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.468 11.023 4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.835 11.200 3.695 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.967 11.334 2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.879 12.323 1.362 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.191 14.042 1.627 1.00 0.00 H new ATOM 827 N VAL A 58 0.248 10.982 1.449 1.00 0.00 N ATOM 828 CA VAL A 58 0.186 10.350 0.142 1.00 0.00 C ATOM 829 C VAL A 58 -1.184 9.694 -0.038 1.00 0.00 C ATOM 830 O VAL A 58 -1.963 9.605 0.909 1.00 0.00 O ATOM 831 CB VAL A 58 1.346 9.366 -0.018 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.667 10.106 -0.241 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.440 8.428 1.187 1.00 0.00 C ATOM 0 H VAL A 58 -0.162 10.436 2.207 1.00 0.00 H new ATOM 0 HA VAL A 58 0.296 11.093 -0.648 1.00 0.00 H new ATOM 0 HB VAL A 58 1.149 8.758 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.475 9.383 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.596 10.712 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.872 10.751 0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.273 7.739 1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.601 9.014 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.513 7.862 1.281 1.00 0.00 H new ATOM 843 N GLU A 59 -1.436 9.252 -1.261 1.00 0.00 N ATOM 844 CA GLU A 59 -2.699 8.606 -1.578 1.00 0.00 C ATOM 845 C GLU A 59 -2.451 7.268 -2.277 1.00 0.00 C ATOM 846 O GLU A 59 -2.038 7.236 -3.435 1.00 0.00 O ATOM 847 CB GLU A 59 -3.581 9.517 -2.435 1.00 0.00 C ATOM 848 CG GLU A 59 -4.695 8.719 -3.115 1.00 0.00 C ATOM 849 CD GLU A 59 -5.683 9.650 -3.821 1.00 0.00 C ATOM 850 OE1 GLU A 59 -6.402 10.371 -3.095 1.00 0.00 O ATOM 851 OE2 GLU A 59 -5.698 9.620 -5.070 1.00 0.00 O ATOM 0 H GLU A 59 -0.787 9.328 -2.045 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.230 8.413 -0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.017 10.298 -1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.972 10.014 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.263 8.027 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.222 8.118 -2.374 1.00 0.00 H new ATOM 858 N LEU A 60 -2.713 6.196 -1.544 1.00 0.00 N ATOM 859 CA LEU A 60 -2.524 4.859 -2.079 1.00 0.00 C ATOM 860 C LEU A 60 -3.838 4.367 -2.689 1.00 0.00 C ATOM 861 O LEU A 60 -4.910 4.598 -2.132 1.00 0.00 O ATOM 862 CB LEU A 60 -1.957 3.927 -1.005 1.00 0.00 C ATOM 863 CG LEU A 60 -0.450 4.027 -0.758 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.146 4.983 0.397 1.00 0.00 C ATOM 865 CD2 LEU A 60 0.161 2.643 -0.532 1.00 0.00 C ATOM 0 H LEU A 60 -3.055 6.226 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.785 4.871 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.473 4.130 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.192 2.900 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 60 0.016 4.443 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.932 5.036 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.527 5.976 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.625 4.620 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.233 2.742 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.305 2.177 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.008 2.022 -1.412 1.00 0.00 H new ATOM 877 N ILE A 61 -3.712 3.697 -3.825 1.00 0.00 N ATOM 878 CA ILE A 61 -4.876 3.170 -4.516 1.00 0.00 C ATOM 879 C ILE A 61 -4.599 1.728 -4.947 1.00 0.00 C ATOM 880 O ILE A 61 -3.605 1.457 -5.617 1.00 0.00 O ATOM 881 CB ILE A 61 -5.275 4.091 -5.671 1.00 0.00 C ATOM 882 CG1 ILE A 61 -5.742 5.452 -5.151 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.326 3.427 -6.564 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.472 6.553 -6.178 1.00 0.00 C ATOM 0 H ILE A 61 -2.821 3.507 -4.284 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.736 3.143 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.393 4.267 -6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.808 5.413 -4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.228 5.685 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.592 4.103 -7.377 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.921 2.503 -6.978 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.214 3.201 -5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.813 7.510 -5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.403 6.605 -6.383 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.007 6.329 -7.101 1.00 0.00 H new ATOM 896 N ALA A 62 -5.498 0.841 -4.543 1.00 0.00 N ATOM 897 CA ALA A 62 -5.363 -0.566 -4.879 1.00 0.00 C ATOM 898 C ALA A 62 -5.746 -0.775 -6.345 1.00 0.00 C ATOM 899 O ALA A 62 -6.835 -0.388 -6.767 1.00 0.00 O ATOM 900 CB ALA A 62 -6.220 -1.402 -3.927 1.00 0.00 C ATOM 0 H ALA A 62 -6.322 1.070 -3.987 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.330 -0.892 -4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.119 -2.458 -4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.888 -1.240 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.264 -1.105 -4.022 1.00 0.00 H new ATOM 906 N ASP A 63 -4.830 -1.387 -7.082 1.00 0.00 N ATOM 907 CA ASP A 63 -5.059 -1.653 -8.492 1.00 0.00 C ATOM 908 C ASP A 63 -4.904 -3.152 -8.756 1.00 0.00 C ATOM 909 O ASP A 63 -3.823 -3.613 -9.119 1.00 0.00 O ATOM 910 CB ASP A 63 -4.043 -0.912 -9.363 1.00 0.00 C ATOM 911 CG ASP A 63 -4.630 0.194 -10.243 1.00 0.00 C ATOM 912 OD1 ASP A 63 -5.872 0.331 -10.229 1.00 0.00 O ATOM 913 OD2 ASP A 63 -3.823 0.877 -10.910 1.00 0.00 O ATOM 0 H ASP A 63 -3.928 -1.706 -6.729 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.064 -1.313 -8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.282 -0.475 -8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.539 -1.636 -10.003 1.00 0.00 H new ATOM 918 N PRO A 64 -6.030 -3.889 -8.558 1.00 0.00 N ATOM 919 CA PRO A 64 -6.029 -5.326 -8.771 1.00 0.00 C ATOM 920 C PRO A 64 -6.031 -5.660 -10.265 1.00 0.00 C ATOM 921 O PRO A 64 -5.970 -6.828 -10.644 1.00 0.00 O ATOM 922 CB PRO A 64 -7.267 -5.831 -8.048 1.00 0.00 C ATOM 923 CG PRO A 64 -8.161 -4.617 -7.854 1.00 0.00 C ATOM 924 CD PRO A 64 -7.327 -3.376 -8.129 1.00 0.00 C ATOM 0 HA PRO A 64 -5.132 -5.808 -8.382 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.774 -6.600 -8.631 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.004 -6.279 -7.090 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.015 -4.660 -8.529 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.558 -4.593 -6.839 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.783 -2.756 -8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.233 -2.757 -7.237 1.00 0.00 H new ATOM 932 N GLU A 65 -6.103 -4.612 -11.072 1.00 0.00 N ATOM 933 CA GLU A 65 -6.114 -4.778 -12.515 1.00 0.00 C ATOM 934 C GLU A 65 -4.785 -5.368 -12.992 1.00 0.00 C ATOM 935 O GLU A 65 -4.768 -6.354 -13.727 1.00 0.00 O ATOM 936 CB GLU A 65 -6.408 -3.451 -13.218 1.00 0.00 C ATOM 937 CG GLU A 65 -7.909 -3.280 -13.461 1.00 0.00 C ATOM 938 CD GLU A 65 -8.503 -2.238 -12.511 1.00 0.00 C ATOM 939 OE1 GLU A 65 -8.080 -2.236 -11.335 1.00 0.00 O ATOM 940 OE2 GLU A 65 -9.366 -1.467 -12.982 1.00 0.00 O ATOM 0 H GLU A 65 -6.154 -3.644 -10.754 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.912 -5.474 -12.774 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.038 -2.624 -12.612 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.875 -3.413 -14.168 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.082 -2.976 -14.493 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.415 -4.235 -13.321 1.00 0.00 H new ATOM 947 N SER A 66 -3.704 -4.740 -12.553 1.00 0.00 N ATOM 948 CA SER A 66 -2.374 -5.191 -12.925 1.00 0.00 C ATOM 949 C SER A 66 -1.503 -5.339 -11.676 1.00 0.00 C ATOM 950 O SER A 66 -0.309 -5.044 -11.709 1.00 0.00 O ATOM 951 CB SER A 66 -1.722 -4.224 -13.915 1.00 0.00 C ATOM 952 OG SER A 66 -1.898 -4.643 -15.265 1.00 0.00 O ATOM 0 H SER A 66 -3.722 -3.923 -11.943 1.00 0.00 H new ATOM 0 HA SER A 66 -2.466 -6.161 -13.413 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.149 -3.230 -13.785 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.657 -4.144 -13.696 1.00 0.00 H new ATOM 0 HG SER A 66 -1.469 -3.999 -15.866 1.00 0.00 H new ATOM 958 N ARG A 67 -2.134 -5.795 -10.604 1.00 0.00 N ATOM 959 CA ARG A 67 -1.432 -5.986 -9.346 1.00 0.00 C ATOM 960 C ARG A 67 -0.482 -4.815 -9.086 1.00 0.00 C ATOM 961 O ARG A 67 0.713 -5.016 -8.874 1.00 0.00 O ATOM 962 CB ARG A 67 -0.632 -7.291 -9.355 1.00 0.00 C ATOM 963 CG ARG A 67 -1.537 -8.490 -9.067 1.00 0.00 C ATOM 964 CD ARG A 67 -1.597 -9.432 -10.271 1.00 0.00 C ATOM 965 NE ARG A 67 -3.005 -9.768 -10.581 1.00 0.00 N ATOM 966 CZ ARG A 67 -3.708 -10.717 -9.947 1.00 0.00 C ATOM 967 NH1 ARG A 67 -3.139 -11.429 -8.965 1.00 0.00 N ATOM 968 NH2 ARG A 67 -4.980 -10.953 -10.296 1.00 0.00 N ATOM 0 H ARG A 67 -3.124 -6.038 -10.581 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.178 -6.036 -8.553 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.149 -7.419 -10.324 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.161 -7.241 -8.608 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.165 -9.030 -8.196 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.541 -8.142 -8.822 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.128 -8.961 -11.135 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.035 -10.342 -10.060 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.469 -9.245 -11.323 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.171 -11.249 -8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.674 -12.151 -8.483 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.413 -10.411 -11.044 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.516 -11.675 -9.814 1.00 0.00 H new ATOM 982 N THR A 68 -1.048 -3.618 -9.111 1.00 0.00 N ATOM 983 CA THR A 68 -0.267 -2.415 -8.881 1.00 0.00 C ATOM 984 C THR A 68 -0.979 -1.499 -7.883 1.00 0.00 C ATOM 985 O THR A 68 -2.083 -1.804 -7.434 1.00 0.00 O ATOM 986 CB THR A 68 -0.007 -1.753 -10.235 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.219 -1.955 -10.958 1.00 0.00 O ATOM 988 CG2 THR A 68 1.046 -2.497 -11.059 1.00 0.00 C ATOM 0 H THR A 68 -2.039 -3.455 -9.287 1.00 0.00 H new ATOM 0 HA THR A 68 0.696 -2.650 -8.428 1.00 0.00 H new ATOM 0 HB THR A 68 0.315 -0.723 -10.079 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.139 -1.555 -11.849 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.192 -1.985 -12.010 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.988 -2.520 -10.511 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.709 -3.517 -11.244 1.00 0.00 H new ATOM 996 N VAL A 69 -0.318 -0.395 -7.566 1.00 0.00 N ATOM 997 CA VAL A 69 -0.874 0.567 -6.630 1.00 0.00 C ATOM 998 C VAL A 69 -0.369 1.967 -6.984 1.00 0.00 C ATOM 999 O VAL A 69 0.836 2.189 -7.087 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.538 0.155 -5.195 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -1.045 1.195 -4.194 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -1.100 -1.232 -4.877 1.00 0.00 C ATOM 0 H VAL A 69 0.597 -0.146 -7.941 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.961 0.586 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 69 0.547 0.105 -5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.794 0.878 -3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.576 2.157 -4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.127 1.291 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.847 -1.501 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.184 -1.221 -4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.670 -1.964 -5.560 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.317 2.876 -7.162 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.983 4.248 -7.503 1.00 0.00 C ATOM 1014 C ALA A 70 -0.712 5.036 -6.220 1.00 0.00 C ATOM 1015 O ALA A 70 -1.343 4.792 -5.192 1.00 0.00 O ATOM 1016 CB ALA A 70 -2.115 4.858 -8.333 1.00 0.00 C ATOM 0 H ALA A 70 -2.316 2.689 -7.076 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.078 4.283 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.865 5.887 -8.589 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.249 4.279 -9.247 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.039 4.842 -7.755 1.00 0.00 H new ATOM 1022 N VAL A 71 0.227 5.965 -6.321 1.00 0.00 N ATOM 1023 CA VAL A 71 0.590 6.790 -5.182 1.00 0.00 C ATOM 1024 C VAL A 71 0.596 8.261 -5.604 1.00 0.00 C ATOM 1025 O VAL A 71 1.060 8.596 -6.692 1.00 0.00 O ATOM 1026 CB VAL A 71 1.930 6.328 -4.606 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.369 7.228 -3.449 1.00 0.00 C ATOM 1028 CG2 VAL A 71 1.862 4.864 -4.167 1.00 0.00 C ATOM 0 H VAL A 71 0.748 6.165 -7.175 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.145 6.683 -4.384 1.00 0.00 H new ATOM 0 HB VAL A 71 2.679 6.407 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.324 6.878 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.477 8.252 -3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.619 7.196 -2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.827 4.561 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.094 4.749 -3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.616 4.238 -5.025 1.00 0.00 H new ATOM 1038 N LYS A 72 0.075 9.099 -4.720 1.00 0.00 N ATOM 1039 CA LYS A 72 0.014 10.526 -4.987 1.00 0.00 C ATOM 1040 C LYS A 72 0.349 11.295 -3.707 1.00 0.00 C ATOM 1041 O LYS A 72 -0.335 11.150 -2.695 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.340 10.901 -5.593 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.453 12.414 -5.790 1.00 0.00 C ATOM 1044 CD LYS A 72 -2.095 12.745 -7.139 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.539 13.215 -6.957 1.00 0.00 C ATOM 1046 NZ LYS A 72 -4.423 12.575 -7.958 1.00 0.00 N ATOM 0 H LYS A 72 -0.309 8.817 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 72 0.759 10.806 -5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.466 10.396 -6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.142 10.555 -4.942 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.047 12.846 -4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.463 12.867 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.517 13.521 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.073 11.865 -7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.883 12.972 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.590 14.299 -7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.400 12.905 -7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.104 12.828 -8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.387 11.542 -7.843 1.00 0.00 H new ATOM 1060 N GLN A 73 1.400 12.096 -3.794 1.00 0.00 N ATOM 1061 CA GLN A 73 1.834 12.888 -2.656 1.00 0.00 C ATOM 1062 C GLN A 73 0.939 14.119 -2.494 1.00 0.00 C ATOM 1063 O GLN A 73 0.938 15.007 -3.345 1.00 0.00 O ATOM 1064 CB GLN A 73 3.303 13.293 -2.797 1.00 0.00 C ATOM 1065 CG GLN A 73 3.667 14.391 -1.796 1.00 0.00 C ATOM 1066 CD GLN A 73 5.179 14.626 -1.766 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.976 13.735 -2.006 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.527 15.872 -1.458 1.00 0.00 N ATOM 0 H GLN A 73 1.964 12.214 -4.635 1.00 0.00 H new ATOM 0 HA GLN A 73 1.745 12.277 -1.758 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.941 12.424 -2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.492 13.644 -3.812 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.157 15.316 -2.064 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.319 14.112 -0.802 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.808 16.570 -1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.513 16.130 -1.412 1.00 0.00 H new ATOM 1077 N LEU A 74 0.199 14.132 -1.395 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.699 15.239 -1.110 1.00 0.00 C ATOM 1079 C LEU A 74 -0.126 16.071 0.039 1.00 0.00 C ATOM 1080 O LEU A 74 -0.752 17.030 0.488 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.116 14.726 -0.850 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.478 13.392 -1.506 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.272 12.505 -0.545 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -3.218 13.612 -2.827 1.00 0.00 C ATOM 0 H LEU A 74 0.203 13.394 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.777 15.899 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.253 14.628 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.823 15.481 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.553 12.865 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.516 11.563 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.674 12.306 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.192 13.013 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.463 12.648 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.136 14.170 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.583 14.176 -3.510 1.00 0.00 H new ATOM 1096 N GLY A 75 1.059 15.675 0.481 1.00 0.00 N ATOM 1097 CA GLY A 75 1.723 16.373 1.569 1.00 0.00 C ATOM 1098 C GLY A 75 2.726 17.396 1.032 1.00 0.00 C ATOM 1099 O GLY A 75 2.513 17.982 -0.029 1.00 0.00 O ATOM 0 H GLY A 75 1.576 14.880 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.981 16.876 2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.237 15.654 2.207 1.00 0.00 H new ATOM 1103 N VAL A 76 3.797 17.580 1.789 1.00 0.00 N ATOM 1104 CA VAL A 76 4.834 18.523 1.403 1.00 0.00 C ATOM 1105 C VAL A 76 6.162 17.779 1.252 1.00 0.00 C ATOM 1106 O VAL A 76 6.865 17.952 0.257 1.00 0.00 O ATOM 1107 CB VAL A 76 4.902 19.669 2.414 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.892 19.137 3.848 1.00 0.00 C ATOM 1109 CG2 VAL A 76 6.128 20.549 2.164 1.00 0.00 C ATOM 0 H VAL A 76 3.970 17.092 2.668 1.00 0.00 H new ATOM 0 HA VAL A 76 4.602 18.973 0.438 1.00 0.00 H new ATOM 0 HB VAL A 76 4.014 20.286 2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.941 19.972 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.975 18.573 4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.753 18.486 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.152 21.356 2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.032 19.948 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.074 20.971 1.161 1.00 0.00 H new ATOM 1119 N ASN A 77 6.467 16.967 2.254 1.00 0.00 N ATOM 1120 CA ASN A 77 7.699 16.197 2.245 1.00 0.00 C ATOM 1121 C ASN A 77 7.682 15.230 1.060 1.00 0.00 C ATOM 1122 O ASN A 77 6.649 14.635 0.754 1.00 0.00 O ATOM 1123 CB ASN A 77 7.842 15.373 3.526 1.00 0.00 C ATOM 1124 CG ASN A 77 8.332 16.242 4.686 1.00 0.00 C ATOM 1125 OD1 ASN A 77 9.517 16.465 4.871 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.356 16.719 5.454 1.00 0.00 N ATOM 0 H ASN A 77 5.882 16.826 3.077 1.00 0.00 H new ATOM 0 HA ASN A 77 8.533 16.895 2.170 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.882 14.925 3.783 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.542 14.554 3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.580 17.311 6.254 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.384 16.493 5.242 1.00 0.00 H new ATOM 1133 N PRO A 78 8.868 15.099 0.407 1.00 0.00 N ATOM 1134 CA PRO A 78 8.999 14.215 -0.738 1.00 0.00 C ATOM 1135 C PRO A 78 9.041 12.750 -0.297 1.00 0.00 C ATOM 1136 O PRO A 78 9.873 12.369 0.524 1.00 0.00 O ATOM 1137 CB PRO A 78 10.272 14.661 -1.437 1.00 0.00 C ATOM 1138 CG PRO A 78 11.051 15.466 -0.409 1.00 0.00 C ATOM 1139 CD PRO A 78 10.111 15.788 0.741 1.00 0.00 C ATOM 0 HA PRO A 78 8.147 14.275 -1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.850 13.803 -1.781 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.044 15.265 -2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.911 14.899 -0.052 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.437 16.383 -0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.514 15.439 1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.955 16.863 0.836 1.00 0.00 H new ATOM 1147 N SER A 79 8.132 11.969 -0.863 1.00 0.00 N ATOM 1148 CA SER A 79 8.055 10.554 -0.539 1.00 0.00 C ATOM 1149 C SER A 79 8.882 9.743 -1.538 1.00 0.00 C ATOM 1150 O SER A 79 9.166 10.211 -2.640 1.00 0.00 O ATOM 1151 CB SER A 79 6.604 10.069 -0.532 1.00 0.00 C ATOM 1152 OG SER A 79 5.924 10.437 0.665 1.00 0.00 O ATOM 0 H SER A 79 7.443 12.289 -1.544 1.00 0.00 H new ATOM 0 HA SER A 79 8.462 10.409 0.462 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.078 10.486 -1.391 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.584 8.985 -0.642 1.00 0.00 H new ATOM 0 HG SER A 79 6.080 9.756 1.352 1.00 0.00 H new ATOM 1158 N THR A 80 9.245 8.540 -1.118 1.00 0.00 N ATOM 1159 CA THR A 80 10.033 7.658 -1.962 1.00 0.00 C ATOM 1160 C THR A 80 9.246 6.387 -2.288 1.00 0.00 C ATOM 1161 O THR A 80 8.820 5.668 -1.385 1.00 0.00 O ATOM 1162 CB THR A 80 11.361 7.386 -1.253 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.964 8.672 -1.139 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.338 6.592 -2.122 1.00 0.00 C ATOM 0 H THR A 80 9.008 8.155 -0.204 1.00 0.00 H new ATOM 0 HA THR A 80 10.251 8.122 -2.924 1.00 0.00 H new ATOM 0 HB THR A 80 11.173 6.841 -0.328 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.846 8.659 -1.566 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.264 6.427 -1.571 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.895 5.631 -2.383 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.553 7.152 -3.032 1.00 0.00 H new ATOM 1172 N VAL A 81 9.077 6.149 -3.580 1.00 0.00 N ATOM 1173 CA VAL A 81 8.349 4.977 -4.036 1.00 0.00 C ATOM 1174 C VAL A 81 9.343 3.923 -4.528 1.00 0.00 C ATOM 1175 O VAL A 81 9.688 3.892 -5.708 1.00 0.00 O ATOM 1176 CB VAL A 81 7.327 5.378 -5.102 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.792 4.148 -5.838 1.00 0.00 C ATOM 1178 CG2 VAL A 81 6.185 6.190 -4.488 1.00 0.00 C ATOM 0 H VAL A 81 9.432 6.748 -4.326 1.00 0.00 H new ATOM 0 HA VAL A 81 7.786 4.534 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 81 7.833 6.011 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.068 4.461 -6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.617 3.627 -6.323 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.310 3.479 -5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.473 6.462 -5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.681 5.592 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.586 7.095 -4.031 1.00 0.00 H new ATOM 1188 N GLY A 82 9.777 3.086 -3.597 1.00 0.00 N ATOM 1189 CA GLY A 82 10.725 2.033 -3.921 1.00 0.00 C ATOM 1190 C GLY A 82 12.162 2.559 -3.883 1.00 0.00 C ATOM 1191 O GLY A 82 12.797 2.564 -2.830 1.00 0.00 O ATOM 0 H GLY A 82 9.490 3.115 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.616 1.210 -3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.506 1.633 -4.911 1.00 0.00 H new ATOM 1195 N VAL A 83 12.632 2.988 -5.046 1.00 0.00 N ATOM 1196 CA VAL A 83 13.981 3.514 -5.159 1.00 0.00 C ATOM 1197 C VAL A 83 13.944 4.844 -5.915 1.00 0.00 C ATOM 1198 O VAL A 83 14.960 5.289 -6.445 1.00 0.00 O ATOM 1199 CB VAL A 83 14.894 2.477 -5.818 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.521 2.275 -7.288 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.365 2.872 -5.674 1.00 0.00 C ATOM 0 H VAL A 83 12.102 2.982 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 83 14.397 3.713 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 83 14.751 1.527 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.184 1.534 -7.733 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.490 1.928 -7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.622 3.220 -7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 83 16.992 2.119 -6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.531 3.838 -6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.621 2.942 -4.617 1.00 0.00 H new ATOM 1211 N GLN A 84 12.761 5.440 -5.940 1.00 0.00 N ATOM 1212 CA GLN A 84 12.578 6.710 -6.623 1.00 0.00 C ATOM 1213 C GLN A 84 11.981 7.745 -5.667 1.00 0.00 C ATOM 1214 O GLN A 84 11.187 7.402 -4.792 1.00 0.00 O ATOM 1215 CB GLN A 84 11.703 6.543 -7.866 1.00 0.00 C ATOM 1216 CG GLN A 84 11.330 7.902 -8.461 1.00 0.00 C ATOM 1217 CD GLN A 84 11.049 7.786 -9.961 1.00 0.00 C ATOM 1218 OE1 GLN A 84 11.596 6.948 -10.658 1.00 0.00 O ATOM 1219 NE2 GLN A 84 10.168 8.672 -10.416 1.00 0.00 N ATOM 0 H GLN A 84 11.920 5.068 -5.499 1.00 0.00 H new ATOM 0 HA GLN A 84 13.554 7.068 -6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.233 5.949 -8.611 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.797 5.995 -7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.451 8.297 -7.952 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.140 8.611 -8.293 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.747 9.347 -9.777 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.913 8.677 -11.404 1.00 0.00 H new ATOM 1228 N GLU A 85 12.386 8.990 -5.866 1.00 0.00 N ATOM 1229 CA GLU A 85 11.901 10.077 -5.033 1.00 0.00 C ATOM 1230 C GLU A 85 10.710 10.768 -5.701 1.00 0.00 C ATOM 1231 O GLU A 85 10.711 10.980 -6.913 1.00 0.00 O ATOM 1232 CB GLU A 85 13.018 11.079 -4.733 1.00 0.00 C ATOM 1233 CG GLU A 85 13.160 11.307 -3.227 1.00 0.00 C ATOM 1234 CD GLU A 85 14.526 10.833 -2.727 1.00 0.00 C ATOM 1235 OE1 GLU A 85 15.531 11.429 -3.170 1.00 0.00 O ATOM 1236 OE2 GLU A 85 14.534 9.885 -1.912 1.00 0.00 O ATOM 0 H GLU A 85 13.045 9.271 -6.592 1.00 0.00 H new ATOM 0 HA GLU A 85 11.568 9.659 -4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.960 10.711 -5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.805 12.026 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.034 12.366 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.370 10.773 -2.699 1.00 0.00 H new ATOM 1243 N LEU A 86 9.723 11.099 -4.882 1.00 0.00 N ATOM 1244 CA LEU A 86 8.528 11.761 -5.379 1.00 0.00 C ATOM 1245 C LEU A 86 8.598 13.251 -5.038 1.00 0.00 C ATOM 1246 O LEU A 86 9.619 13.733 -4.551 1.00 0.00 O ATOM 1247 CB LEU A 86 7.272 11.067 -4.849 1.00 0.00 C ATOM 1248 CG LEU A 86 6.883 9.761 -5.544 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.444 9.367 -5.207 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.113 9.854 -7.054 1.00 0.00 C ATOM 0 H LEU A 86 9.726 10.921 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 86 8.472 11.684 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.415 10.862 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.436 11.761 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 86 7.530 8.969 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.194 8.435 -5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.347 9.231 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.765 10.153 -5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.829 8.913 -7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.508 10.662 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.166 10.054 -7.250 1.00 0.00 H new ATOM 1262 N LYS A 87 7.498 13.939 -5.309 1.00 0.00 N ATOM 1263 CA LYS A 87 7.422 15.364 -5.038 1.00 0.00 C ATOM 1264 C LYS A 87 6.009 15.714 -4.566 1.00 0.00 C ATOM 1265 O LYS A 87 5.105 14.882 -4.632 1.00 0.00 O ATOM 1266 CB LYS A 87 7.879 16.167 -6.258 1.00 0.00 C ATOM 1267 CG LYS A 87 9.304 16.690 -6.067 1.00 0.00 C ATOM 1268 CD LYS A 87 9.929 17.079 -7.408 1.00 0.00 C ATOM 1269 CE LYS A 87 9.563 18.515 -7.789 1.00 0.00 C ATOM 1270 NZ LYS A 87 10.595 19.094 -8.679 1.00 0.00 N ATOM 0 H LYS A 87 6.653 13.536 -5.713 1.00 0.00 H new ATOM 0 HA LYS A 87 8.105 15.635 -4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.834 15.540 -7.148 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.200 17.003 -6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.292 17.554 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.914 15.926 -5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.013 16.980 -7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.587 16.395 -8.185 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.594 18.529 -8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.467 19.123 -6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.331 20.069 -8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.513 19.098 -8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.667 18.523 -9.545 1.00 0.00 H new ATOM 1284 N PRO A 88 5.859 16.978 -4.088 1.00 0.00 N ATOM 1285 CA PRO A 88 4.572 17.448 -3.605 1.00 0.00 C ATOM 1286 C PRO A 88 3.622 17.739 -4.769 1.00 0.00 C ATOM 1287 O PRO A 88 3.666 18.819 -5.355 1.00 0.00 O ATOM 1288 CB PRO A 88 4.889 18.682 -2.775 1.00 0.00 C ATOM 1289 CG PRO A 88 6.279 19.125 -3.203 1.00 0.00 C ATOM 1290 CD PRO A 88 6.907 17.990 -3.995 1.00 0.00 C ATOM 0 HA PRO A 88 4.051 16.703 -3.004 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.156 19.470 -2.951 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.862 18.454 -1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.222 20.028 -3.811 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.888 19.365 -2.332 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.223 18.324 -4.983 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.792 17.599 -3.493 1.00 0.00 H new ATOM 1298 N GLY A 89 2.786 16.755 -5.069 1.00 0.00 N ATOM 1299 CA GLY A 89 1.828 16.892 -6.152 1.00 0.00 C ATOM 1300 C GLY A 89 2.103 15.873 -7.259 1.00 0.00 C ATOM 1301 O GLY A 89 1.387 15.828 -8.258 1.00 0.00 O ATOM 0 H GLY A 89 2.753 15.860 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.817 16.753 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.878 17.901 -6.561 1.00 0.00 H new ATOM 1305 N LEU A 90 3.143 15.080 -7.045 1.00 0.00 N ATOM 1306 CA LEU A 90 3.522 14.065 -8.013 1.00 0.00 C ATOM 1307 C LEU A 90 2.704 12.797 -7.762 1.00 0.00 C ATOM 1308 O LEU A 90 1.855 12.767 -6.872 1.00 0.00 O ATOM 1309 CB LEU A 90 5.035 13.836 -7.985 1.00 0.00 C ATOM 1310 CG LEU A 90 5.693 13.539 -9.334 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.135 14.450 -10.429 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.217 13.632 -9.232 1.00 0.00 C ATOM 0 H LEU A 90 3.735 15.120 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 90 3.292 14.399 -9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.509 14.720 -7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.245 13.006 -7.310 1.00 0.00 H new ATOM 0 HG LEU A 90 5.451 12.514 -9.614 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.620 14.218 -11.377 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.061 14.291 -10.522 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.327 15.491 -10.169 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.661 13.417 -10.204 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.500 14.637 -8.919 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.578 12.909 -8.500 1.00 0.00 H new ATOM 1324 N SER A 91 2.987 11.780 -8.563 1.00 0.00 N ATOM 1325 CA SER A 91 2.288 10.512 -8.439 1.00 0.00 C ATOM 1326 C SER A 91 3.110 9.396 -9.086 1.00 0.00 C ATOM 1327 O SER A 91 3.759 9.611 -10.108 1.00 0.00 O ATOM 1328 CB SER A 91 0.899 10.585 -9.074 1.00 0.00 C ATOM 1329 OG SER A 91 0.472 11.930 -9.273 1.00 0.00 O ATOM 0 H SER A 91 3.691 11.808 -9.301 1.00 0.00 H new ATOM 0 HA SER A 91 2.162 10.293 -7.379 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.910 10.063 -10.031 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.182 10.068 -8.437 1.00 0.00 H new ATOM 0 HG SER A 91 -0.419 11.933 -9.682 1.00 0.00 H new ATOM 1335 N GLY A 92 3.056 8.227 -8.464 1.00 0.00 N ATOM 1336 CA GLY A 92 3.787 7.077 -8.966 1.00 0.00 C ATOM 1337 C GLY A 92 2.991 5.787 -8.757 1.00 0.00 C ATOM 1338 O GLY A 92 1.805 5.831 -8.434 1.00 0.00 O ATOM 0 H GLY A 92 2.517 8.052 -7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.998 7.211 -10.027 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.748 7.002 -8.457 1.00 0.00 H new ATOM 1342 N SER A 93 3.675 4.669 -8.952 1.00 0.00 N ATOM 1343 CA SER A 93 3.046 3.369 -8.789 1.00 0.00 C ATOM 1344 C SER A 93 3.923 2.469 -7.916 1.00 0.00 C ATOM 1345 O SER A 93 5.139 2.651 -7.856 1.00 0.00 O ATOM 1346 CB SER A 93 2.790 2.707 -10.144 1.00 0.00 C ATOM 1347 OG SER A 93 1.404 2.685 -10.474 1.00 0.00 O ATOM 0 H SER A 93 4.658 4.636 -9.221 1.00 0.00 H new ATOM 0 HA SER A 93 2.084 3.514 -8.298 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.339 3.243 -10.919 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.175 1.687 -10.128 1.00 0.00 H new ATOM 0 HG SER A 93 1.282 2.256 -11.347 1.00 0.00 H new ATOM 1353 N LEU A 94 3.273 1.519 -7.261 1.00 0.00 N ATOM 1354 CA LEU A 94 3.979 0.590 -6.394 1.00 0.00 C ATOM 1355 C LEU A 94 3.675 -0.843 -6.835 1.00 0.00 C ATOM 1356 O LEU A 94 2.514 -1.212 -7.000 1.00 0.00 O ATOM 1357 CB LEU A 94 3.645 0.867 -4.927 1.00 0.00 C ATOM 1358 CG LEU A 94 4.803 1.359 -4.057 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.745 2.877 -3.875 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.833 0.622 -2.716 1.00 0.00 C ATOM 0 H LEU A 94 2.265 1.372 -7.313 1.00 0.00 H new ATOM 0 HA LEU A 94 5.056 0.729 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.848 1.610 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.249 -0.048 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 94 5.737 1.131 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.579 3.201 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.808 3.363 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.806 3.150 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.666 0.991 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.898 0.796 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.957 -0.447 -2.891 1.00 0.00 H new ATOM 1372 N SER A 95 4.740 -1.612 -7.012 1.00 0.00 N ATOM 1373 CA SER A 95 4.601 -2.997 -7.429 1.00 0.00 C ATOM 1374 C SER A 95 4.643 -3.918 -6.209 1.00 0.00 C ATOM 1375 O SER A 95 5.309 -3.616 -5.220 1.00 0.00 O ATOM 1376 CB SER A 95 5.697 -3.384 -8.424 1.00 0.00 C ATOM 1377 OG SER A 95 6.052 -2.299 -9.276 1.00 0.00 O ATOM 0 H SER A 95 5.702 -1.302 -6.874 1.00 0.00 H new ATOM 0 HA SER A 95 3.638 -3.109 -7.927 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.579 -3.720 -7.879 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.357 -4.224 -9.030 1.00 0.00 H new ATOM 0 HG SER A 95 6.755 -2.586 -9.895 1.00 0.00 H new ATOM 1383 N LEU A 96 3.922 -5.025 -6.317 1.00 0.00 N ATOM 1384 CA LEU A 96 3.868 -5.992 -5.235 1.00 0.00 C ATOM 1385 C LEU A 96 5.277 -6.208 -4.679 1.00 0.00 C ATOM 1386 O LEU A 96 6.130 -6.788 -5.348 1.00 0.00 O ATOM 1387 CB LEU A 96 3.187 -7.281 -5.701 1.00 0.00 C ATOM 1388 CG LEU A 96 1.709 -7.429 -5.335 1.00 0.00 C ATOM 1389 CD1 LEU A 96 1.078 -8.611 -6.073 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.527 -7.534 -3.820 1.00 0.00 C ATOM 0 H LEU A 96 3.370 -5.273 -7.138 1.00 0.00 H new ATOM 0 HA LEU A 96 3.256 -5.613 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.281 -7.346 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.731 -8.128 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 96 1.184 -6.530 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.027 -8.694 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.158 -8.453 -7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.599 -9.529 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.467 -7.638 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.068 -8.404 -3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.916 -6.634 -3.344 1.00 0.00 H new ATOM 1402 N GLY A 97 5.477 -5.728 -3.460 1.00 0.00 N ATOM 1403 CA GLY A 97 6.768 -5.861 -2.806 1.00 0.00 C ATOM 1404 C GLY A 97 7.442 -4.498 -2.642 1.00 0.00 C ATOM 1405 O GLY A 97 8.057 -4.225 -1.611 1.00 0.00 O ATOM 0 H GLY A 97 4.767 -5.247 -2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.639 -6.327 -1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.410 -6.520 -3.391 1.00 0.00 H new ATOM 1409 N ASP A 98 7.305 -3.677 -3.672 1.00 0.00 N ATOM 1410 CA ASP A 98 7.893 -2.348 -3.655 1.00 0.00 C ATOM 1411 C ASP A 98 7.587 -1.678 -2.314 1.00 0.00 C ATOM 1412 O ASP A 98 6.546 -1.933 -1.711 1.00 0.00 O ATOM 1413 CB ASP A 98 7.308 -1.473 -4.765 1.00 0.00 C ATOM 1414 CG ASP A 98 7.932 -1.678 -6.147 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.448 -2.794 -6.377 1.00 0.00 O ATOM 1416 OD2 ASP A 98 7.880 -0.715 -6.942 1.00 0.00 O ATOM 0 H ASP A 98 6.795 -3.906 -4.525 1.00 0.00 H new ATOM 0 HA ASP A 98 8.967 -2.452 -3.806 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.238 -1.667 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.425 -0.427 -4.482 1.00 0.00 H new ATOM 1421 N VAL A 99 8.515 -0.833 -1.887 1.00 0.00 N ATOM 1422 CA VAL A 99 8.358 -0.124 -0.628 1.00 0.00 C ATOM 1423 C VAL A 99 7.806 1.276 -0.902 1.00 0.00 C ATOM 1424 O VAL A 99 7.896 1.774 -2.023 1.00 0.00 O ATOM 1425 CB VAL A 99 9.686 -0.105 0.131 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.622 0.849 1.325 1.00 0.00 C ATOM 1427 CG2 VAL A 99 10.083 -1.514 0.577 1.00 0.00 C ATOM 0 H VAL A 99 9.377 -0.624 -2.390 1.00 0.00 H new ATOM 0 HA VAL A 99 7.640 -0.637 0.012 1.00 0.00 H new ATOM 0 HB VAL A 99 10.455 0.261 -0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.579 0.843 1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.406 1.858 0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.835 0.526 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.031 -1.472 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.312 -1.919 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.190 -2.156 -0.297 1.00 0.00 H new ATOM 1437 N LEU A 100 7.247 1.872 0.141 1.00 0.00 N ATOM 1438 CA LEU A 100 6.681 3.205 0.027 1.00 0.00 C ATOM 1439 C LEU A 100 6.955 3.983 1.315 1.00 0.00 C ATOM 1440 O LEU A 100 6.113 4.025 2.211 1.00 0.00 O ATOM 1441 CB LEU A 100 5.198 3.128 -0.341 1.00 0.00 C ATOM 1442 CG LEU A 100 4.431 4.452 -0.320 1.00 0.00 C ATOM 1443 CD1 LEU A 100 5.026 5.445 -1.320 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.937 4.224 -0.558 1.00 0.00 C ATOM 0 H LEU A 100 7.174 1.456 1.069 1.00 0.00 H new ATOM 0 HA LEU A 100 7.159 3.753 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.114 2.698 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.709 2.437 0.346 1.00 0.00 H new ATOM 0 HG LEU A 100 4.535 4.892 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.463 6.378 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.067 5.640 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.972 5.026 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.415 5.181 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.791 3.751 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.539 3.577 0.224 1.00 0.00 H new ATOM 1456 N TYR A 101 8.137 4.580 1.368 1.00 0.00 N ATOM 1457 CA TYR A 101 8.533 5.354 2.532 1.00 0.00 C ATOM 1458 C TYR A 101 7.603 6.551 2.737 1.00 0.00 C ATOM 1459 O TYR A 101 7.756 7.580 2.081 1.00 0.00 O ATOM 1460 CB TYR A 101 9.945 5.865 2.238 1.00 0.00 C ATOM 1461 CG TYR A 101 10.980 4.756 2.040 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.514 4.107 3.135 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.379 4.404 0.767 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.488 3.063 2.948 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.353 3.359 0.580 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.859 2.740 1.680 1.00 0.00 C ATOM 1467 OH TYR A 101 13.779 1.754 1.504 1.00 0.00 O ATOM 0 H TYR A 101 8.833 4.543 0.623 1.00 0.00 H new ATOM 0 HA TYR A 101 8.489 4.742 3.433 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.917 6.485 1.342 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.267 6.506 3.059 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.201 4.382 4.132 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.961 4.912 -0.090 1.00 0.00 H new ATOM 0 HE1 TYR A 101 12.915 2.548 3.796 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.674 3.074 -0.411 1.00 0.00 H new ATOM 0 HH TYR A 101 13.947 1.630 0.546 1.00 0.00 H new ATOM 1477 N LEU A 102 6.658 6.377 3.650 1.00 0.00 N ATOM 1478 CA LEU A 102 5.703 7.430 3.949 1.00 0.00 C ATOM 1479 C LEU A 102 6.409 8.786 3.884 1.00 0.00 C ATOM 1480 O LEU A 102 6.033 9.648 3.091 1.00 0.00 O ATOM 1481 CB LEU A 102 5.010 7.160 5.286 1.00 0.00 C ATOM 1482 CG LEU A 102 3.482 7.099 5.250 1.00 0.00 C ATOM 1483 CD1 LEU A 102 2.969 5.812 5.900 1.00 0.00 C ATOM 1484 CD2 LEU A 102 2.867 8.347 5.886 1.00 0.00 C ATOM 0 H LEU A 102 6.534 5.522 4.192 1.00 0.00 H new ATOM 0 HA LEU A 102 4.909 7.448 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.382 6.215 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.306 7.938 5.990 1.00 0.00 H new ATOM 0 HG LEU A 102 3.166 7.081 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.880 5.794 5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.366 4.950 5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.296 5.774 6.939 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.780 8.277 5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.189 8.422 6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.194 9.232 5.340 1.00 0.00 H new ATOM 1496 N VAL A 103 7.419 8.933 4.729 1.00 0.00 N ATOM 1497 CA VAL A 103 8.180 10.169 4.777 1.00 0.00 C ATOM 1498 C VAL A 103 9.523 9.910 5.464 1.00 0.00 C ATOM 1499 O VAL A 103 9.794 8.793 5.902 1.00 0.00 O ATOM 1500 CB VAL A 103 7.359 11.263 5.463 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.332 11.058 6.979 1.00 0.00 C ATOM 1502 CG2 VAL A 103 7.890 12.652 5.107 1.00 0.00 C ATOM 0 H VAL A 103 7.728 8.216 5.386 1.00 0.00 H new ATOM 0 HA VAL A 103 8.394 10.525 3.769 1.00 0.00 H new ATOM 0 HB VAL A 103 6.335 11.193 5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.742 11.849 7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.885 10.090 7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.350 11.089 7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.289 13.411 5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.927 12.739 5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.833 12.798 4.028 1.00 0.00 H new ATOM 1512 N ASN A 104 10.327 10.960 5.535 1.00 0.00 N ATOM 1513 CA ASN A 104 11.635 10.860 6.160 1.00 0.00 C ATOM 1514 C ASN A 104 12.304 9.554 5.728 1.00 0.00 C ATOM 1515 O ASN A 104 13.062 8.958 6.492 1.00 0.00 O ATOM 1516 CB ASN A 104 11.516 10.848 7.686 1.00 0.00 C ATOM 1517 CG ASN A 104 12.180 12.084 8.297 1.00 0.00 C ATOM 1518 OD1 ASN A 104 13.391 12.181 8.404 1.00 0.00 O ATOM 1519 ND2 ASN A 104 11.321 13.020 8.691 1.00 0.00 N ATOM 0 H ASN A 104 10.098 11.885 5.170 1.00 0.00 H new ATOM 0 HA ASN A 104 12.224 11.723 5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.465 10.816 7.972 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.982 9.946 8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 104 11.665 13.883 9.112 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.318 12.875 8.572 1.00 0.00 H new ATOM 1526 N GLY A 105 11.999 9.147 4.504 1.00 0.00 N ATOM 1527 CA GLY A 105 12.561 7.922 3.961 1.00 0.00 C ATOM 1528 C GLY A 105 12.389 6.759 4.940 1.00 0.00 C ATOM 1529 O GLY A 105 13.100 5.759 4.853 1.00 0.00 O ATOM 0 H GLY A 105 11.370 9.644 3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.074 7.682 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.620 8.067 3.746 1.00 0.00 H new ATOM 1533 N LEU A 106 11.440 6.927 5.848 1.00 0.00 N ATOM 1534 CA LEU A 106 11.165 5.904 6.842 1.00 0.00 C ATOM 1535 C LEU A 106 9.718 5.429 6.692 1.00 0.00 C ATOM 1536 O LEU A 106 9.040 5.786 5.730 1.00 0.00 O ATOM 1537 CB LEU A 106 11.503 6.413 8.245 1.00 0.00 C ATOM 1538 CG LEU A 106 12.992 6.518 8.580 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.198 7.006 10.015 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.707 5.191 8.317 1.00 0.00 C ATOM 0 H LEU A 106 10.851 7.757 5.916 1.00 0.00 H new ATOM 0 HA LEU A 106 11.805 5.036 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.052 7.397 8.371 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.033 5.752 8.973 1.00 0.00 H new ATOM 0 HG LEU A 106 13.440 7.261 7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.265 7.072 10.227 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.743 7.989 10.134 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.733 6.305 10.708 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.764 5.292 8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.264 4.410 8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.603 4.924 7.265 1.00 0.00 H new ATOM 1552 N TYR A 107 9.287 4.632 7.659 1.00 0.00 N ATOM 1553 CA TYR A 107 7.933 4.105 7.647 1.00 0.00 C ATOM 1554 C TYR A 107 7.589 3.509 6.280 1.00 0.00 C ATOM 1555 O TYR A 107 6.653 3.959 5.620 1.00 0.00 O ATOM 1556 CB TYR A 107 7.014 5.298 7.916 1.00 0.00 C ATOM 1557 CG TYR A 107 7.611 6.342 8.861 1.00 0.00 C ATOM 1558 CD1 TYR A 107 8.045 5.969 10.117 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.715 7.658 8.458 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.607 6.952 11.006 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.276 8.641 9.348 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.695 8.240 10.578 1.00 0.00 C ATOM 1563 OH TYR A 107 9.226 9.168 11.418 1.00 0.00 O ATOM 0 H TYR A 107 9.852 4.338 8.456 1.00 0.00 H new ATOM 0 HA TYR A 107 7.822 3.316 8.390 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.771 5.778 6.968 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.077 4.934 8.338 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.963 4.940 10.433 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.376 7.950 7.475 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.951 6.673 11.991 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.362 9.674 9.045 1.00 0.00 H new ATOM 0 HH TYR A 107 9.227 10.044 10.979 1.00 0.00 H new ATOM 1573 N PRO A 108 8.384 2.479 5.885 1.00 0.00 N ATOM 1574 CA PRO A 108 8.173 1.817 4.609 1.00 0.00 C ATOM 1575 C PRO A 108 6.952 0.898 4.663 1.00 0.00 C ATOM 1576 O PRO A 108 6.817 0.092 5.583 1.00 0.00 O ATOM 1577 CB PRO A 108 9.468 1.069 4.335 1.00 0.00 C ATOM 1578 CG PRO A 108 10.177 0.959 5.674 1.00 0.00 C ATOM 1579 CD PRO A 108 9.502 1.920 6.640 1.00 0.00 C ATOM 0 HA PRO A 108 7.955 2.518 3.803 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.268 0.082 3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.082 1.604 3.611 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.123 -0.062 6.052 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.234 1.204 5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.156 1.404 7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.189 2.701 6.967 1.00 0.00 H new ATOM 1587 N LEU A 109 6.092 1.050 3.667 1.00 0.00 N ATOM 1588 CA LEU A 109 4.885 0.243 3.590 1.00 0.00 C ATOM 1589 C LEU A 109 5.023 -0.764 2.446 1.00 0.00 C ATOM 1590 O LEU A 109 4.795 -0.425 1.286 1.00 0.00 O ATOM 1591 CB LEU A 109 3.649 1.138 3.477 1.00 0.00 C ATOM 1592 CG LEU A 109 3.192 1.817 4.770 1.00 0.00 C ATOM 1593 CD1 LEU A 109 2.841 0.780 5.839 1.00 0.00 C ATOM 1594 CD2 LEU A 109 4.239 2.817 5.263 1.00 0.00 C ATOM 0 H LEU A 109 6.206 1.720 2.906 1.00 0.00 H new ATOM 0 HA LEU A 109 4.751 -0.332 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.851 1.911 2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.824 0.538 3.094 1.00 0.00 H new ATOM 0 HG LEU A 109 2.283 2.381 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.519 1.289 6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.036 0.142 5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.718 0.170 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.890 3.286 6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.177 2.297 5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.397 3.583 4.503 1.00 0.00 H new ATOM 1606 N THR A 110 5.394 -1.981 2.814 1.00 0.00 N ATOM 1607 CA THR A 110 5.564 -3.040 1.833 1.00 0.00 C ATOM 1608 C THR A 110 4.208 -3.463 1.265 1.00 0.00 C ATOM 1609 O THR A 110 3.300 -3.816 2.015 1.00 0.00 O ATOM 1610 CB THR A 110 6.328 -4.185 2.501 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.580 -3.606 2.858 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.698 -5.295 1.516 1.00 0.00 C ATOM 0 H THR A 110 5.582 -2.258 3.778 1.00 0.00 H new ATOM 0 HA THR A 110 6.146 -2.698 0.978 1.00 0.00 H new ATOM 0 HB THR A 110 5.724 -4.602 3.307 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.138 -4.280 3.299 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.238 -6.082 2.041 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.790 -5.709 1.076 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.329 -4.886 0.727 1.00 0.00 H new ATOM 1620 N LEU A 111 4.115 -3.415 -0.056 1.00 0.00 N ATOM 1621 CA LEU A 111 2.885 -3.789 -0.733 1.00 0.00 C ATOM 1622 C LEU A 111 2.835 -5.311 -0.886 1.00 0.00 C ATOM 1623 O LEU A 111 3.764 -5.916 -1.419 1.00 0.00 O ATOM 1624 CB LEU A 111 2.751 -3.034 -2.057 1.00 0.00 C ATOM 1625 CG LEU A 111 1.443 -3.247 -2.821 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.264 -2.621 -2.075 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.555 -2.726 -4.256 1.00 0.00 C ATOM 0 H LEU A 111 4.871 -3.123 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 111 2.019 -3.499 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.863 -1.968 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.578 -3.326 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 111 1.253 -4.319 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.653 -2.787 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.172 -3.079 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.432 -1.550 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.612 -2.890 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.780 -1.660 -4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.353 -3.257 -4.775 1.00 0.00 H new ATOM 1639 N ARG A 112 1.741 -5.886 -0.408 1.00 0.00 N ATOM 1640 CA ARG A 112 1.558 -7.325 -0.485 1.00 0.00 C ATOM 1641 C ARG A 112 0.243 -7.655 -1.195 1.00 0.00 C ATOM 1642 O ARG A 112 -0.629 -6.798 -1.324 1.00 0.00 O ATOM 1643 CB ARG A 112 1.548 -7.954 0.910 1.00 0.00 C ATOM 1644 CG ARG A 112 2.952 -7.959 1.519 1.00 0.00 C ATOM 1645 CD ARG A 112 3.834 -9.017 0.854 1.00 0.00 C ATOM 1646 NE ARG A 112 5.261 -8.728 1.123 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.251 -9.616 0.959 1.00 0.00 C ATOM 1648 NH1 ARG A 112 5.976 -10.854 0.526 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.516 -9.265 1.228 1.00 0.00 N ATOM 0 H ARG A 112 0.973 -5.381 0.034 1.00 0.00 H new ATOM 0 HA ARG A 112 2.394 -7.736 -1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.869 -7.400 1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.170 -8.975 0.850 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.407 -6.975 1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.887 -8.155 2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.577 -10.006 1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.653 -9.030 -0.221 1.00 0.00 H new ATOM 0 HE ARG A 112 5.506 -7.795 1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.013 -11.120 0.321 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.730 -11.530 0.401 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.725 -8.322 1.557 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.270 -9.940 1.103 1.00 0.00 H new ATOM 1663 N TRP A 113 0.143 -8.901 -1.636 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.050 -9.355 -2.329 1.00 0.00 C ATOM 1665 C TRP A 113 -1.606 -10.563 -1.572 1.00 0.00 C ATOM 1666 O TRP A 113 -0.849 -11.424 -1.128 1.00 0.00 O ATOM 1667 CB TRP A 113 -0.749 -9.657 -3.799 1.00 0.00 C ATOM 1668 CG TRP A 113 -1.868 -10.410 -4.522 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -2.189 -11.707 -4.421 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -2.807 -9.854 -5.466 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -3.262 -12.026 -5.228 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -3.649 -10.863 -5.884 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -2.940 -8.541 -5.952 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -4.684 -10.666 -6.807 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -3.978 -8.360 -6.873 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -4.835 -9.366 -7.304 1.00 0.00 C ATOM 0 H TRP A 113 0.869 -9.609 -1.527 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.809 -8.573 -2.342 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.561 -8.719 -4.321 1.00 0.00 H new ATOM 0 HB3 TRP A 113 0.167 -10.244 -3.858 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -1.673 -12.414 -3.788 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -3.692 -12.946 -5.325 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.292 -7.736 -5.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.330 -11.473 -7.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -4.123 -7.369 -7.277 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -5.614 -9.146 -8.019 1.00 0.00 H new ATOM 1687 N SER A 114 -2.925 -10.587 -1.449 1.00 0.00 N ATOM 1688 CA SER A 114 -3.591 -11.675 -0.753 1.00 0.00 C ATOM 1689 C SER A 114 -3.924 -12.799 -1.736 1.00 0.00 C ATOM 1690 O SER A 114 -4.105 -12.553 -2.928 1.00 0.00 O ATOM 1691 CB SER A 114 -4.862 -11.186 -0.056 1.00 0.00 C ATOM 1692 OG SER A 114 -5.135 -11.922 1.134 1.00 0.00 O ATOM 0 H SER A 114 -3.550 -9.871 -1.819 1.00 0.00 H new ATOM 0 HA SER A 114 -2.914 -12.058 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.758 -10.129 0.187 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.707 -11.274 -0.739 1.00 0.00 H new ATOM 0 HG SER A 114 -5.953 -11.579 1.551 1.00 0.00 H new