USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 788 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 110 HIS : no HE2:sc= -0.855 K(o=-1.6,f=-2.8) USER MOD Set 1.2: A 129 TYR OH : rot 180:sc= -0.742 USER MOD Set 2.1: A 55 GLN : amide:sc= 0 K(o=-0.48,f=-1.5) USER MOD Set 2.2: A 116 MET CE :methyl -148:sc= -0.476 (180deg=-2.16!) USER MOD Set 3.1: A 38 THR OG1 : rot -101:sc= 1.29 USER MOD Set 3.2: A 52 TYR OH : rot 85:sc= 1.75 USER MOD Single : A 45 THR OG1 : rot 152:sc= 0.765 USER MOD Single : A 48 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.1) USER MOD Single : A 57 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.057) USER MOD Single : A 62 THR OG1 : rot 75:sc= 1.15 USER MOD Single : A 64 LYS NZ :NH3+ -134:sc= 0.731 (180deg=-0.00394) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.548 K(o=-0.55,f=-6.6!) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0.932 USER MOD Single : A 88 ASN : amide:sc= 0.578 K(o=0.58,f=-2.9!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= 1.09 (180deg=0.663) USER MOD Single : A 95 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.064) USER MOD Single : A 96 THR OG1 : rot 120:sc=-0.00624 USER MOD Single : A 101 THR OG1 : rot 68:sc= 1.27 USER MOD Single : A 103 LYS NZ :NH3+ -141:sc= 1.28 (180deg=0.509) USER MOD Single : A 104 LYS NZ :NH3+ 146:sc= 0.845 (180deg=0.229) USER MOD Single : A 111 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.6!) USER MOD Single : A 114 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 120 ASN : amide:sc= 0.00669 K(o=0.0067,f=-3) USER MOD Single : A 124 LYS NZ :NH3+ 179:sc= 0.698 (180deg=0.624) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 192 N THR A 38 -17.081 -13.458 0.648 1.00 0.00 N ATOM 193 CA THR A 38 -17.775 -12.346 1.194 1.00 0.00 C ATOM 194 C THR A 38 -19.021 -12.063 0.341 1.00 0.00 C ATOM 195 O THR A 38 -18.970 -12.150 -0.896 1.00 0.00 O ATOM 196 CB THR A 38 -16.806 -11.107 1.308 1.00 0.00 C ATOM 197 OG1 THR A 38 -17.324 -10.134 2.204 1.00 0.00 O ATOM 198 CG2 THR A 38 -16.533 -10.448 -0.042 1.00 0.00 C ATOM 0 HA THR A 38 -18.116 -12.564 2.206 1.00 0.00 H new ATOM 0 HB THR A 38 -15.863 -11.497 1.692 1.00 0.00 H new ATOM 0 HG1 THR A 38 -17.735 -9.405 1.694 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.861 -9.601 0.096 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.072 -11.172 -0.714 1.00 0.00 H new ATOM 0 HG23 THR A 38 -17.471 -10.100 -0.473 1.00 0.00 H new ATOM 206 N VAL A 39 -20.131 -11.817 0.984 1.00 0.00 N ATOM 207 CA VAL A 39 -21.354 -11.539 0.276 1.00 0.00 C ATOM 208 C VAL A 39 -21.708 -10.058 0.382 1.00 0.00 C ATOM 209 O VAL A 39 -21.751 -9.474 1.489 1.00 0.00 O ATOM 210 CB VAL A 39 -22.533 -12.475 0.725 1.00 0.00 C ATOM 211 CG1 VAL A 39 -22.776 -12.417 2.228 1.00 0.00 C ATOM 212 CG2 VAL A 39 -23.816 -12.170 -0.047 1.00 0.00 C ATOM 0 H VAL A 39 -20.215 -11.803 2.000 1.00 0.00 H new ATOM 0 HA VAL A 39 -21.188 -11.765 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 39 -22.229 -13.494 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -23.600 -13.081 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -21.875 -12.732 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -23.027 -11.396 2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -24.610 -12.836 0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -24.110 -11.136 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -23.644 -12.320 -1.113 1.00 0.00 H new ATOM 222 N ILE A 40 -21.910 -9.458 -0.763 1.00 0.00 N ATOM 223 CA ILE A 40 -22.206 -8.052 -0.879 1.00 0.00 C ATOM 224 C ILE A 40 -23.676 -7.821 -0.517 1.00 0.00 C ATOM 225 O ILE A 40 -24.567 -8.413 -1.141 1.00 0.00 O ATOM 226 CB ILE A 40 -21.950 -7.561 -2.333 1.00 0.00 C ATOM 227 CG1 ILE A 40 -20.537 -7.964 -2.787 1.00 0.00 C ATOM 228 CG2 ILE A 40 -22.109 -6.042 -2.412 1.00 0.00 C ATOM 229 CD1 ILE A 40 -20.245 -7.695 -4.243 1.00 0.00 C ATOM 0 H ILE A 40 -21.873 -9.943 -1.660 1.00 0.00 H new ATOM 0 HA ILE A 40 -21.559 -7.494 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 40 -22.681 -8.028 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -19.808 -7.429 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -20.396 -9.027 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -21.927 -5.710 -3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -23.121 -5.766 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -21.392 -5.566 -1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -19.227 -8.010 -4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -20.947 -8.252 -4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -20.349 -6.629 -4.444 1.00 0.00 H new ATOM 241 N PRO A 41 -23.951 -6.987 0.500 1.00 0.00 N ATOM 242 CA PRO A 41 -25.314 -6.715 0.930 1.00 0.00 C ATOM 243 C PRO A 41 -26.117 -5.974 -0.151 1.00 0.00 C ATOM 244 O PRO A 41 -25.569 -5.142 -0.894 1.00 0.00 O ATOM 245 CB PRO A 41 -25.148 -5.851 2.187 1.00 0.00 C ATOM 246 CG PRO A 41 -23.781 -5.284 2.101 1.00 0.00 C ATOM 247 CD PRO A 41 -22.957 -6.258 1.305 1.00 0.00 C ATOM 0 HA PRO A 41 -25.872 -7.631 1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -25.899 -5.061 2.222 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -25.269 -6.447 3.092 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -23.797 -4.307 1.619 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -23.358 -5.142 3.095 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -22.231 -5.745 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -22.397 -6.931 1.954 1.00 0.00 H new ATOM 255 N PRO A 42 -27.401 -6.300 -0.290 1.00 0.00 N ATOM 256 CA PRO A 42 -28.271 -5.668 -1.274 1.00 0.00 C ATOM 257 C PRO A 42 -28.520 -4.188 -0.977 1.00 0.00 C ATOM 258 O PRO A 42 -28.465 -3.748 0.189 1.00 0.00 O ATOM 259 CB PRO A 42 -29.585 -6.450 -1.156 1.00 0.00 C ATOM 260 CG PRO A 42 -29.543 -7.074 0.190 1.00 0.00 C ATOM 261 CD PRO A 42 -28.104 -7.343 0.481 1.00 0.00 C ATOM 0 HA PRO A 42 -27.827 -5.693 -2.269 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -30.447 -5.791 -1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -29.666 -7.205 -1.938 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -29.974 -6.411 0.940 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -30.123 -7.997 0.209 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -27.889 -7.269 1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -27.810 -8.344 0.165 1.00 0.00 H new ATOM 269 N GLY A 43 -28.771 -3.425 -2.022 1.00 0.00 N ATOM 270 CA GLY A 43 -29.088 -2.024 -1.866 1.00 0.00 C ATOM 271 C GLY A 43 -27.875 -1.130 -1.820 1.00 0.00 C ATOM 272 O GLY A 43 -27.962 0.027 -1.416 1.00 0.00 O ATOM 0 H GLY A 43 -28.761 -3.754 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -29.728 -1.711 -2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -29.662 -1.890 -0.949 1.00 0.00 H new ATOM 276 N LEU A 44 -26.747 -1.646 -2.213 1.00 0.00 N ATOM 277 CA LEU A 44 -25.556 -0.864 -2.269 1.00 0.00 C ATOM 278 C LEU A 44 -25.460 -0.224 -3.618 1.00 0.00 C ATOM 279 O LEU A 44 -25.972 -0.764 -4.612 1.00 0.00 O ATOM 280 CB LEU A 44 -24.298 -1.699 -2.026 1.00 0.00 C ATOM 281 CG LEU A 44 -24.109 -2.322 -0.652 1.00 0.00 C ATOM 282 CD1 LEU A 44 -22.731 -2.948 -0.551 1.00 0.00 C ATOM 283 CD2 LEU A 44 -24.308 -1.295 0.430 1.00 0.00 C ATOM 0 H LEU A 44 -26.631 -2.617 -2.502 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.614 -0.115 -1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -24.284 -2.503 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -23.433 -1.067 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 44 -24.858 -3.102 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -22.604 -3.392 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -22.626 -3.721 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -21.971 -2.182 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -24.168 -1.762 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -23.583 -0.490 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -25.317 -0.888 0.364 1.00 0.00 H new ATOM 295 N THR A 45 -24.854 0.897 -3.672 1.00 0.00 N ATOM 296 CA THR A 45 -24.622 1.545 -4.913 1.00 0.00 C ATOM 297 C THR A 45 -23.289 1.049 -5.403 1.00 0.00 C ATOM 298 O THR A 45 -22.559 0.454 -4.623 1.00 0.00 O ATOM 299 CB THR A 45 -24.603 3.065 -4.698 1.00 0.00 C ATOM 300 OG1 THR A 45 -23.478 3.442 -3.897 1.00 0.00 O ATOM 301 CG2 THR A 45 -25.861 3.472 -3.965 1.00 0.00 C ATOM 0 H THR A 45 -24.501 1.398 -2.857 1.00 0.00 H new ATOM 0 HA THR A 45 -25.402 1.329 -5.644 1.00 0.00 H new ATOM 0 HB THR A 45 -24.540 3.556 -5.669 1.00 0.00 H new ATOM 0 HG1 THR A 45 -23.210 4.358 -4.120 1.00 0.00 H new ATOM 0 HG21 THR A 45 -25.857 4.551 -3.807 1.00 0.00 H new ATOM 0 HG22 THR A 45 -26.733 3.195 -4.557 1.00 0.00 H new ATOM 0 HG23 THR A 45 -25.901 2.964 -3.001 1.00 0.00 H new ATOM 309 N ARG A 46 -22.952 1.278 -6.647 1.00 0.00 N ATOM 310 CA ARG A 46 -21.682 0.808 -7.173 1.00 0.00 C ATOM 311 C ARG A 46 -20.516 1.434 -6.411 1.00 0.00 C ATOM 312 O ARG A 46 -19.491 0.790 -6.188 1.00 0.00 O ATOM 313 CB ARG A 46 -21.558 1.043 -8.691 1.00 0.00 C ATOM 314 CG ARG A 46 -21.833 2.467 -9.122 1.00 0.00 C ATOM 315 CD ARG A 46 -23.197 2.635 -9.803 1.00 0.00 C ATOM 316 NE ARG A 46 -24.336 1.964 -9.122 1.00 0.00 N ATOM 317 CZ ARG A 46 -25.312 2.606 -8.462 1.00 0.00 C ATOM 318 NH1 ARG A 46 -25.053 3.772 -7.883 1.00 0.00 N ATOM 319 NH2 ARG A 46 -26.483 2.011 -8.259 1.00 0.00 N ATOM 0 H ARG A 46 -23.532 1.784 -7.317 1.00 0.00 H new ATOM 0 HA ARG A 46 -21.645 -0.271 -7.022 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -20.553 0.766 -9.009 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -22.250 0.379 -9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -21.785 3.120 -8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -21.049 2.791 -9.806 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -23.417 3.700 -9.879 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -23.126 2.250 -10.820 1.00 0.00 H new ATOM 0 HE ARG A 46 -24.378 0.946 -9.159 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -24.117 4.174 -7.942 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -25.790 4.266 -7.379 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -26.641 1.065 -8.605 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -27.224 2.501 -7.757 1.00 0.00 H new ATOM 333 N GLU A 47 -20.712 2.668 -5.952 1.00 0.00 N ATOM 334 CA GLU A 47 -19.697 3.365 -5.181 1.00 0.00 C ATOM 335 C GLU A 47 -19.575 2.690 -3.824 1.00 0.00 C ATOM 336 O GLU A 47 -18.476 2.451 -3.324 1.00 0.00 O ATOM 337 CB GLU A 47 -20.056 4.847 -4.921 1.00 0.00 C ATOM 338 CG GLU A 47 -20.733 5.598 -6.059 1.00 0.00 C ATOM 339 CD GLU A 47 -22.208 5.278 -6.148 1.00 0.00 C ATOM 340 OE1 GLU A 47 -22.987 5.782 -5.313 1.00 0.00 O ATOM 341 OE2 GLU A 47 -22.613 4.492 -7.008 1.00 0.00 O ATOM 0 H GLU A 47 -21.567 3.203 -6.103 1.00 0.00 H new ATOM 0 HA GLU A 47 -18.772 3.328 -5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -20.709 4.891 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -19.140 5.378 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -20.602 6.670 -5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -20.249 5.342 -7.001 1.00 0.00 H new ATOM 348 N GLN A 48 -20.723 2.358 -3.250 1.00 0.00 N ATOM 349 CA GLN A 48 -20.792 1.782 -1.926 1.00 0.00 C ATOM 350 C GLN A 48 -20.286 0.341 -1.939 1.00 0.00 C ATOM 351 O GLN A 48 -19.647 -0.111 -0.973 1.00 0.00 O ATOM 352 CB GLN A 48 -22.219 1.851 -1.407 1.00 0.00 C ATOM 353 CG GLN A 48 -22.349 1.674 0.065 1.00 0.00 C ATOM 354 CD GLN A 48 -23.759 2.001 0.530 1.00 0.00 C ATOM 355 OE1 GLN A 48 -24.730 1.831 -0.219 1.00 0.00 O ATOM 356 NE2 GLN A 48 -23.892 2.490 1.732 1.00 0.00 N ATOM 0 H GLN A 48 -21.632 2.483 -3.696 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.150 2.355 -1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -22.647 2.815 -1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -22.811 1.084 -1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -22.102 0.647 0.335 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -21.635 2.319 0.577 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -23.071 2.618 2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -24.817 2.745 2.080 1.00 0.00 H new ATOM 365 N GLU A 49 -20.571 -0.374 -3.030 1.00 0.00 N ATOM 366 CA GLU A 49 -20.061 -1.720 -3.228 1.00 0.00 C ATOM 367 C GLU A 49 -18.574 -1.670 -3.267 1.00 0.00 C ATOM 368 O GLU A 49 -17.910 -2.388 -2.531 1.00 0.00 O ATOM 369 CB GLU A 49 -20.566 -2.343 -4.523 1.00 0.00 C ATOM 370 CG GLU A 49 -22.026 -2.678 -4.528 1.00 0.00 C ATOM 371 CD GLU A 49 -22.499 -3.161 -5.866 1.00 0.00 C ATOM 372 OE1 GLU A 49 -22.641 -2.351 -6.791 1.00 0.00 O ATOM 373 OE2 GLU A 49 -22.742 -4.375 -6.024 1.00 0.00 O ATOM 0 H GLU A 49 -21.158 -0.034 -3.792 1.00 0.00 H new ATOM 0 HA GLU A 49 -20.415 -2.336 -2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -20.362 -1.656 -5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -19.998 -3.252 -4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -22.222 -3.445 -3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -22.599 -1.796 -4.240 1.00 0.00 H new ATOM 380 N ARG A 50 -18.050 -0.778 -4.091 1.00 0.00 N ATOM 381 CA ARG A 50 -16.629 -0.612 -4.206 1.00 0.00 C ATOM 382 C ARG A 50 -16.030 -0.218 -2.890 1.00 0.00 C ATOM 383 O ARG A 50 -15.026 -0.744 -2.519 1.00 0.00 O ATOM 384 CB ARG A 50 -16.233 0.374 -5.290 1.00 0.00 C ATOM 385 CG ARG A 50 -16.429 -0.120 -6.707 1.00 0.00 C ATOM 386 CD ARG A 50 -15.728 -1.450 -6.928 1.00 0.00 C ATOM 387 NE ARG A 50 -15.527 -1.738 -8.351 1.00 0.00 N ATOM 388 CZ ARG A 50 -14.847 -2.788 -8.844 1.00 0.00 C ATOM 389 NH1 ARG A 50 -14.465 -3.790 -8.041 1.00 0.00 N ATOM 390 NH2 ARG A 50 -14.593 -2.847 -10.143 1.00 0.00 N ATOM 0 H ARG A 50 -18.599 -0.160 -4.689 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.228 -1.581 -4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.811 1.289 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.184 0.637 -5.155 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -17.494 -0.229 -6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.042 0.619 -7.409 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.763 -1.439 -6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.316 -2.249 -6.477 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.937 -1.089 -9.022 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.690 -3.761 -7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.950 -4.582 -8.424 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.913 -2.100 -10.760 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.078 -3.639 -10.526 1.00 0.00 H new ATOM 404 N ALA A 51 -16.697 0.658 -2.169 1.00 0.00 N ATOM 405 CA ALA A 51 -16.243 1.085 -0.857 1.00 0.00 C ATOM 406 C ALA A 51 -16.114 -0.120 0.087 1.00 0.00 C ATOM 407 O ALA A 51 -15.127 -0.266 0.776 1.00 0.00 O ATOM 408 CB ALA A 51 -17.210 2.114 -0.291 1.00 0.00 C ATOM 0 H ALA A 51 -17.567 1.095 -2.472 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.258 1.543 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.867 2.433 0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.254 2.976 -0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.202 1.671 -0.204 1.00 0.00 H new ATOM 414 N TYR A 52 -17.090 -1.005 0.043 1.00 0.00 N ATOM 415 CA TYR A 52 -17.103 -2.197 0.854 1.00 0.00 C ATOM 416 C TYR A 52 -15.982 -3.160 0.435 1.00 0.00 C ATOM 417 O TYR A 52 -15.226 -3.648 1.274 1.00 0.00 O ATOM 418 CB TYR A 52 -18.513 -2.821 0.750 1.00 0.00 C ATOM 419 CG TYR A 52 -18.638 -4.292 1.034 1.00 0.00 C ATOM 420 CD1 TYR A 52 -18.786 -4.796 2.317 1.00 0.00 C ATOM 421 CD2 TYR A 52 -18.651 -5.172 -0.019 1.00 0.00 C ATOM 422 CE1 TYR A 52 -18.950 -6.154 2.523 1.00 0.00 C ATOM 423 CE2 TYR A 52 -18.799 -6.522 0.178 1.00 0.00 C ATOM 424 CZ TYR A 52 -18.950 -7.007 1.443 1.00 0.00 C ATOM 425 OH TYR A 52 -19.127 -8.354 1.625 1.00 0.00 O ATOM 0 H TYR A 52 -17.904 -0.912 -0.565 1.00 0.00 H new ATOM 0 HA TYR A 52 -16.902 -1.961 1.899 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -19.170 -2.288 1.437 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -18.889 -2.638 -0.257 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -18.773 -4.123 3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -18.542 -4.794 -1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -19.077 -6.542 3.523 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -18.796 -7.197 -0.665 1.00 0.00 H new ATOM 0 HH TYR A 52 -20.085 -8.556 1.659 1.00 0.00 H new ATOM 435 N ILE A 53 -15.867 -3.375 -0.862 1.00 0.00 N ATOM 436 CA ILE A 53 -14.872 -4.272 -1.452 1.00 0.00 C ATOM 437 C ILE A 53 -13.444 -3.727 -1.236 1.00 0.00 C ATOM 438 O ILE A 53 -12.526 -4.459 -0.859 1.00 0.00 O ATOM 439 CB ILE A 53 -15.169 -4.456 -2.973 1.00 0.00 C ATOM 440 CG1 ILE A 53 -16.575 -5.072 -3.145 1.00 0.00 C ATOM 441 CG2 ILE A 53 -14.106 -5.328 -3.644 1.00 0.00 C ATOM 442 CD1 ILE A 53 -17.120 -5.061 -4.561 1.00 0.00 C ATOM 0 H ILE A 53 -16.469 -2.927 -1.553 1.00 0.00 H new ATOM 0 HA ILE A 53 -14.935 -5.242 -0.958 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.140 -3.481 -3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -16.547 -6.103 -2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -17.271 -4.533 -2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.341 -5.438 -4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -13.128 -4.858 -3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -14.090 -6.310 -3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -18.111 -5.515 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -17.188 -4.033 -4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -16.453 -5.627 -5.212 1.00 0.00 H new ATOM 454 N VAL A 54 -13.281 -2.442 -1.455 1.00 0.00 N ATOM 455 CA VAL A 54 -12.010 -1.770 -1.278 1.00 0.00 C ATOM 456 C VAL A 54 -11.602 -1.769 0.198 1.00 0.00 C ATOM 457 O VAL A 54 -10.449 -2.010 0.511 1.00 0.00 O ATOM 458 CB VAL A 54 -12.032 -0.319 -1.883 1.00 0.00 C ATOM 459 CG1 VAL A 54 -10.793 0.459 -1.513 1.00 0.00 C ATOM 460 CG2 VAL A 54 -12.141 -0.381 -3.409 1.00 0.00 C ATOM 0 H VAL A 54 -14.033 -1.826 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 54 -11.253 -2.326 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 54 -12.901 0.190 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.846 1.456 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.725 0.541 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.912 -0.058 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -12.155 0.631 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -11.285 -0.922 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -13.060 -0.896 -3.687 1.00 0.00 H new ATOM 470 N GLN A 55 -12.566 -1.573 1.087 1.00 0.00 N ATOM 471 CA GLN A 55 -12.318 -1.584 2.531 1.00 0.00 C ATOM 472 C GLN A 55 -11.730 -2.927 2.977 1.00 0.00 C ATOM 473 O GLN A 55 -10.784 -2.967 3.769 1.00 0.00 O ATOM 474 CB GLN A 55 -13.612 -1.296 3.284 1.00 0.00 C ATOM 475 CG GLN A 55 -13.482 -1.263 4.794 1.00 0.00 C ATOM 476 CD GLN A 55 -14.790 -0.923 5.467 1.00 0.00 C ATOM 477 OE1 GLN A 55 -15.619 -0.196 4.918 1.00 0.00 O ATOM 478 NE2 GLN A 55 -15.002 -1.438 6.631 1.00 0.00 N ATOM 0 H GLN A 55 -13.539 -1.402 0.834 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.591 -0.805 2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.005 -0.336 2.947 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -14.348 -2.054 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.133 -2.233 5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.727 -0.529 5.077 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.296 -2.036 7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.875 -1.247 7.122 1.00 0.00 H new ATOM 487 N LEU A 56 -12.262 -4.014 2.421 1.00 0.00 N ATOM 488 CA LEU A 56 -11.791 -5.367 2.729 1.00 0.00 C ATOM 489 C LEU A 56 -10.319 -5.513 2.313 1.00 0.00 C ATOM 490 O LEU A 56 -9.517 -6.175 2.970 1.00 0.00 O ATOM 491 CB LEU A 56 -12.637 -6.398 1.985 1.00 0.00 C ATOM 492 CG LEU A 56 -14.149 -6.352 2.235 1.00 0.00 C ATOM 493 CD1 LEU A 56 -14.850 -7.372 1.380 1.00 0.00 C ATOM 494 CD2 LEU A 56 -14.482 -6.583 3.699 1.00 0.00 C ATOM 0 H LEU A 56 -13.028 -3.985 1.748 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.882 -5.537 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.464 -6.274 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -12.277 -7.391 2.253 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.498 -5.355 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -15.923 -7.328 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -14.657 -7.160 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -14.479 -8.368 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.562 -6.543 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -14.113 -7.561 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -14.010 -5.810 4.306 1.00 0.00 H new ATOM 506 N GLN A 57 -9.998 -4.932 1.196 1.00 0.00 N ATOM 507 CA GLN A 57 -8.639 -4.899 0.698 1.00 0.00 C ATOM 508 C GLN A 57 -7.755 -3.993 1.567 1.00 0.00 C ATOM 509 O GLN A 57 -6.627 -4.330 1.872 1.00 0.00 O ATOM 510 CB GLN A 57 -8.620 -4.431 -0.730 1.00 0.00 C ATOM 511 CG GLN A 57 -9.380 -5.306 -1.698 1.00 0.00 C ATOM 512 CD GLN A 57 -9.345 -4.746 -3.095 1.00 0.00 C ATOM 513 OE1 GLN A 57 -8.430 -5.028 -3.866 1.00 0.00 O ATOM 514 NE2 GLN A 57 -10.345 -3.991 -3.446 1.00 0.00 N ATOM 0 H GLN A 57 -10.672 -4.461 0.593 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.236 -5.911 0.744 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.034 -3.424 -0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.584 -4.364 -1.061 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.952 -6.309 -1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.415 -5.400 -1.369 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.085 -3.780 -2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.389 -3.610 -4.391 1.00 0.00 H new ATOM 523 N ILE A 58 -8.290 -2.836 1.948 1.00 0.00 N ATOM 524 CA ILE A 58 -7.585 -1.864 2.804 1.00 0.00 C ATOM 525 C ILE A 58 -7.184 -2.494 4.130 1.00 0.00 C ATOM 526 O ILE A 58 -6.044 -2.325 4.597 1.00 0.00 O ATOM 527 CB ILE A 58 -8.458 -0.595 3.070 1.00 0.00 C ATOM 528 CG1 ILE A 58 -8.630 0.233 1.788 1.00 0.00 C ATOM 529 CG2 ILE A 58 -7.883 0.265 4.201 1.00 0.00 C ATOM 530 CD1 ILE A 58 -9.601 1.387 1.921 1.00 0.00 C ATOM 0 H ILE A 58 -9.227 -2.538 1.675 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.686 -1.560 2.268 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.441 -0.940 3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.658 0.624 1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.971 -0.424 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.519 1.137 4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.843 -0.321 5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.878 0.591 3.935 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.665 1.920 0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.586 1.005 2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.252 2.068 2.697 1.00 0.00 H new ATOM 542 N GLU A 59 -8.102 -3.227 4.722 1.00 0.00 N ATOM 543 CA GLU A 59 -7.839 -3.875 5.977 1.00 0.00 C ATOM 544 C GLU A 59 -6.796 -4.975 5.804 1.00 0.00 C ATOM 545 O GLU A 59 -5.913 -5.135 6.653 1.00 0.00 O ATOM 546 CB GLU A 59 -9.129 -4.375 6.658 1.00 0.00 C ATOM 547 CG GLU A 59 -9.983 -5.306 5.832 1.00 0.00 C ATOM 548 CD GLU A 59 -11.120 -5.892 6.619 1.00 0.00 C ATOM 549 OE1 GLU A 59 -10.935 -6.963 7.248 1.00 0.00 O ATOM 550 OE2 GLU A 59 -12.216 -5.298 6.645 1.00 0.00 O ATOM 0 H GLU A 59 -9.038 -3.386 4.349 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.420 -3.134 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.857 -4.885 7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.731 -3.510 6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.380 -4.764 4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.362 -6.112 5.441 1.00 0.00 H new ATOM 557 N ASP A 60 -6.867 -5.673 4.666 1.00 0.00 N ATOM 558 CA ASP A 60 -5.917 -6.742 4.315 1.00 0.00 C ATOM 559 C ASP A 60 -4.538 -6.142 4.203 1.00 0.00 C ATOM 560 O ASP A 60 -3.561 -6.643 4.762 1.00 0.00 O ATOM 561 CB ASP A 60 -6.240 -7.292 2.933 1.00 0.00 C ATOM 562 CG ASP A 60 -5.616 -8.648 2.652 1.00 0.00 C ATOM 563 OD1 ASP A 60 -6.250 -9.674 2.972 1.00 0.00 O ATOM 564 OD2 ASP A 60 -4.480 -8.717 2.101 1.00 0.00 O ATOM 0 H ASP A 60 -7.585 -5.515 3.959 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.975 -7.521 5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.322 -7.371 2.828 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.898 -6.582 2.180 1.00 0.00 H new ATOM 569 N LEU A 61 -4.490 -5.031 3.492 1.00 0.00 N ATOM 570 CA LEU A 61 -3.267 -4.323 3.232 1.00 0.00 C ATOM 571 C LEU A 61 -2.656 -3.748 4.468 1.00 0.00 C ATOM 572 O LEU A 61 -1.492 -3.965 4.719 1.00 0.00 O ATOM 573 CB LEU A 61 -3.460 -3.249 2.172 1.00 0.00 C ATOM 574 CG LEU A 61 -3.644 -3.758 0.746 1.00 0.00 C ATOM 575 CD1 LEU A 61 -4.085 -2.636 -0.138 1.00 0.00 C ATOM 576 CD2 LEU A 61 -2.342 -4.331 0.217 1.00 0.00 C ATOM 0 H LEU A 61 -5.314 -4.596 3.077 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.564 -5.062 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.331 -2.651 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.597 -2.583 2.193 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.402 -4.541 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.215 -3.004 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.031 -2.236 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.331 -1.849 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.490 -4.690 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.575 -3.556 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.025 -5.159 0.851 1.00 0.00 H new ATOM 588 N THR A 62 -3.435 -3.055 5.267 1.00 0.00 N ATOM 589 CA THR A 62 -2.927 -2.399 6.411 1.00 0.00 C ATOM 590 C THR A 62 -2.392 -3.418 7.417 1.00 0.00 C ATOM 591 O THR A 62 -1.341 -3.217 7.979 1.00 0.00 O ATOM 592 CB THR A 62 -3.987 -1.456 7.018 1.00 0.00 C ATOM 593 OG1 THR A 62 -4.448 -0.557 5.987 1.00 0.00 O ATOM 594 CG2 THR A 62 -3.412 -0.634 8.146 1.00 0.00 C ATOM 0 H THR A 62 -4.439 -2.941 5.126 1.00 0.00 H new ATOM 0 HA THR A 62 -2.085 -1.771 6.119 1.00 0.00 H new ATOM 0 HB THR A 62 -4.803 -2.062 7.411 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.048 -1.037 5.379 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.185 0.019 8.551 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.049 -1.297 8.931 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.586 -0.030 7.771 1.00 0.00 H new ATOM 602 N ARG A 63 -3.070 -4.553 7.520 1.00 0.00 N ATOM 603 CA ARG A 63 -2.662 -5.680 8.372 1.00 0.00 C ATOM 604 C ARG A 63 -1.249 -6.122 7.984 1.00 0.00 C ATOM 605 O ARG A 63 -0.355 -6.310 8.827 1.00 0.00 O ATOM 606 CB ARG A 63 -3.611 -6.823 8.057 1.00 0.00 C ATOM 607 CG ARG A 63 -3.221 -8.182 8.596 1.00 0.00 C ATOM 608 CD ARG A 63 -3.822 -9.255 7.714 1.00 0.00 C ATOM 609 NE ARG A 63 -5.275 -9.188 7.656 1.00 0.00 N ATOM 610 CZ ARG A 63 -5.977 -9.473 6.561 1.00 0.00 C ATOM 611 NH1 ARG A 63 -5.358 -9.953 5.478 1.00 0.00 N ATOM 612 NH2 ARG A 63 -7.285 -9.283 6.547 1.00 0.00 N ATOM 0 H ARG A 63 -3.935 -4.727 7.008 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.683 -5.401 9.426 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.596 -6.569 8.449 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.709 -6.899 6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.136 -8.280 8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.575 -8.296 9.621 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.418 -9.159 6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.522 -10.235 8.086 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.781 -8.909 8.497 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.349 -10.101 5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.895 -10.172 4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.756 -8.918 7.375 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.823 -9.501 5.708 1.00 0.00 H new ATOM 626 N LYS A 64 -1.075 -6.211 6.710 1.00 0.00 N ATOM 627 CA LYS A 64 0.095 -6.629 6.058 1.00 0.00 C ATOM 628 C LYS A 64 1.245 -5.676 6.332 1.00 0.00 C ATOM 629 O LYS A 64 2.307 -6.114 6.725 1.00 0.00 O ATOM 630 CB LYS A 64 -0.328 -6.681 4.630 1.00 0.00 C ATOM 631 CG LYS A 64 0.649 -6.843 3.557 1.00 0.00 C ATOM 632 CD LYS A 64 -0.119 -6.813 2.228 1.00 0.00 C ATOM 633 CE LYS A 64 -1.303 -7.805 2.259 1.00 0.00 C ATOM 634 NZ LYS A 64 -2.045 -7.914 0.987 1.00 0.00 N ATOM 0 H LYS A 64 -1.817 -5.970 6.053 1.00 0.00 H new ATOM 0 HA LYS A 64 0.484 -7.590 6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.040 -7.501 4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.875 -5.760 4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.391 -6.045 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.188 -7.784 3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.488 -5.805 2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.553 -7.067 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.927 -8.791 2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.995 -7.500 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.067 -7.878 1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.781 -7.126 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.811 -8.816 0.525 1.00 0.00 H new ATOM 648 N LEU A 65 1.024 -4.385 6.189 1.00 0.00 N ATOM 649 CA LEU A 65 2.076 -3.430 6.528 1.00 0.00 C ATOM 650 C LEU A 65 2.304 -3.292 8.036 1.00 0.00 C ATOM 651 O LEU A 65 3.403 -2.956 8.469 1.00 0.00 O ATOM 652 CB LEU A 65 1.929 -2.054 5.839 1.00 0.00 C ATOM 653 CG LEU A 65 0.534 -1.440 5.793 1.00 0.00 C ATOM 654 CD1 LEU A 65 0.552 -0.011 6.254 1.00 0.00 C ATOM 655 CD2 LEU A 65 0.012 -1.477 4.380 1.00 0.00 C ATOM 0 H LEU A 65 0.154 -3.975 5.851 1.00 0.00 H new ATOM 0 HA LEU A 65 2.981 -3.873 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.590 -1.351 6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.289 -2.149 4.815 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.107 -2.020 6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.457 0.398 6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.918 0.036 7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.209 0.572 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.985 -1.038 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.679 -0.910 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.036 -2.510 4.037 1.00 0.00 H new ATOM 667 N ARG A 66 1.274 -3.562 8.824 1.00 0.00 N ATOM 668 CA ARG A 66 1.357 -3.454 10.284 1.00 0.00 C ATOM 669 C ARG A 66 2.277 -4.497 10.899 1.00 0.00 C ATOM 670 O ARG A 66 3.163 -4.161 11.689 1.00 0.00 O ATOM 671 CB ARG A 66 -0.030 -3.635 10.884 1.00 0.00 C ATOM 672 CG ARG A 66 -0.941 -2.435 10.791 1.00 0.00 C ATOM 673 CD ARG A 66 -2.380 -2.859 10.978 1.00 0.00 C ATOM 674 NE ARG A 66 -3.217 -1.775 11.443 1.00 0.00 N ATOM 675 CZ ARG A 66 -4.498 -1.908 11.808 1.00 0.00 C ATOM 676 NH1 ARG A 66 -5.121 -3.086 11.713 1.00 0.00 N ATOM 677 NH2 ARG A 66 -5.148 -0.860 12.263 1.00 0.00 N ATOM 0 H ARG A 66 0.362 -3.860 8.479 1.00 0.00 H new ATOM 0 HA ARG A 66 1.765 -2.468 10.505 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.514 -4.476 10.388 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.080 -3.905 11.934 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.668 -1.702 11.550 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.819 -1.951 9.822 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.771 -3.237 10.033 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.424 -3.681 11.692 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.802 -0.845 11.497 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.620 -3.901 11.358 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.097 -3.171 11.995 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.676 0.041 12.335 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.124 -0.948 12.544 1.00 0.00 H new ATOM 691 N THR A 67 2.094 -5.742 10.530 1.00 0.00 N ATOM 692 CA THR A 67 2.890 -6.796 11.119 1.00 0.00 C ATOM 693 C THR A 67 3.955 -7.343 10.150 1.00 0.00 C ATOM 694 O THR A 67 4.996 -7.851 10.576 1.00 0.00 O ATOM 695 CB THR A 67 1.985 -7.934 11.714 1.00 0.00 C ATOM 696 OG1 THR A 67 2.769 -8.955 12.341 1.00 0.00 O ATOM 697 CG2 THR A 67 1.108 -8.563 10.648 1.00 0.00 C ATOM 0 H THR A 67 1.413 -6.049 9.836 1.00 0.00 H new ATOM 0 HA THR A 67 3.439 -6.353 11.950 1.00 0.00 H new ATOM 0 HB THR A 67 1.349 -7.464 12.464 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.176 -9.647 12.702 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.496 -9.346 11.096 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.461 -7.801 10.213 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.736 -8.995 9.868 1.00 0.00 H new ATOM 705 N GLY A 68 3.742 -7.157 8.866 1.00 0.00 N ATOM 706 CA GLY A 68 4.645 -7.724 7.883 1.00 0.00 C ATOM 707 C GLY A 68 4.095 -9.021 7.340 1.00 0.00 C ATOM 708 O GLY A 68 4.844 -9.915 6.937 1.00 0.00 O ATOM 0 H GLY A 68 2.962 -6.625 8.479 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.794 -7.016 7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.621 -7.898 8.336 1.00 0.00 H new ATOM 712 N ASP A 69 2.783 -9.113 7.324 1.00 0.00 N ATOM 713 CA ASP A 69 2.086 -10.313 6.887 1.00 0.00 C ATOM 714 C ASP A 69 1.875 -10.271 5.392 1.00 0.00 C ATOM 715 O ASP A 69 0.937 -9.659 4.900 1.00 0.00 O ATOM 716 CB ASP A 69 0.751 -10.451 7.630 1.00 0.00 C ATOM 717 CG ASP A 69 -0.040 -11.673 7.240 1.00 0.00 C ATOM 718 OD1 ASP A 69 0.466 -12.800 7.402 1.00 0.00 O ATOM 719 OD2 ASP A 69 -1.211 -11.542 6.867 1.00 0.00 O ATOM 0 H ASP A 69 2.163 -8.357 7.614 1.00 0.00 H new ATOM 0 HA ASP A 69 2.694 -11.187 7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.944 -10.482 8.702 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.147 -9.563 7.441 1.00 0.00 H new ATOM 724 N LEU A 70 2.798 -10.850 4.677 1.00 0.00 N ATOM 725 CA LEU A 70 2.758 -10.854 3.229 1.00 0.00 C ATOM 726 C LEU A 70 2.225 -12.152 2.693 1.00 0.00 C ATOM 727 O LEU A 70 1.470 -12.164 1.718 1.00 0.00 O ATOM 728 CB LEU A 70 4.149 -10.543 2.630 1.00 0.00 C ATOM 729 CG LEU A 70 4.451 -9.083 2.276 1.00 0.00 C ATOM 730 CD1 LEU A 70 3.584 -8.642 1.107 1.00 0.00 C ATOM 731 CD2 LEU A 70 4.232 -8.167 3.476 1.00 0.00 C ATOM 0 H LEU A 70 3.603 -11.335 5.075 1.00 0.00 H new ATOM 0 HA LEU A 70 2.073 -10.064 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.905 -10.882 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.269 -11.141 1.726 1.00 0.00 H new ATOM 0 HG LEU A 70 5.500 -9.011 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.805 -7.603 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.792 -9.271 0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.532 -8.735 1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.454 -7.138 3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.195 -8.237 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.890 -8.470 4.290 1.00 0.00 H new ATOM 743 N GLY A 71 2.607 -13.233 3.326 1.00 0.00 N ATOM 744 CA GLY A 71 2.194 -14.538 2.882 1.00 0.00 C ATOM 745 C GLY A 71 3.042 -15.017 1.735 1.00 0.00 C ATOM 746 O GLY A 71 2.615 -15.864 0.938 1.00 0.00 O ATOM 0 H GLY A 71 3.205 -13.233 4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.263 -15.245 3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.148 -14.507 2.576 1.00 0.00 H new ATOM 750 N ILE A 72 4.233 -14.470 1.637 1.00 0.00 N ATOM 751 CA ILE A 72 5.141 -14.790 0.567 1.00 0.00 C ATOM 752 C ILE A 72 6.361 -15.518 1.136 1.00 0.00 C ATOM 753 O ILE A 72 7.023 -15.004 2.044 1.00 0.00 O ATOM 754 CB ILE A 72 5.609 -13.493 -0.174 1.00 0.00 C ATOM 755 CG1 ILE A 72 4.402 -12.696 -0.723 1.00 0.00 C ATOM 756 CG2 ILE A 72 6.600 -13.812 -1.300 1.00 0.00 C ATOM 757 CD1 ILE A 72 3.564 -13.430 -1.760 1.00 0.00 C ATOM 0 H ILE A 72 4.597 -13.788 2.302 1.00 0.00 H new ATOM 0 HA ILE A 72 4.623 -15.430 -0.147 1.00 0.00 H new ATOM 0 HB ILE A 72 6.124 -12.872 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.759 -12.419 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.768 -11.769 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.902 -12.887 -1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.478 -14.305 -0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.125 -14.471 -2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.743 -12.790 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.187 -13.683 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.161 -14.343 -1.322 1.00 0.00 H new ATOM 769 N PRO A 73 6.654 -16.730 0.658 1.00 0.00 N ATOM 770 CA PRO A 73 7.851 -17.467 1.073 1.00 0.00 C ATOM 771 C PRO A 73 9.114 -16.761 0.571 1.00 0.00 C ATOM 772 O PRO A 73 9.043 -16.021 -0.422 1.00 0.00 O ATOM 773 CB PRO A 73 7.692 -18.834 0.383 1.00 0.00 C ATOM 774 CG PRO A 73 6.765 -18.586 -0.757 1.00 0.00 C ATOM 775 CD PRO A 73 5.846 -17.485 -0.321 1.00 0.00 C ATOM 0 HA PRO A 73 7.948 -17.545 2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 73 8.652 -19.214 0.035 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.284 -19.577 1.069 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.317 -18.300 -1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.203 -19.487 -1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.543 -16.859 -1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.934 -17.878 0.129 1.00 0.00 H new ATOM 783 N PRO A 74 10.275 -16.924 1.259 1.00 0.00 N ATOM 784 CA PRO A 74 11.534 -16.322 0.817 1.00 0.00 C ATOM 785 C PRO A 74 11.817 -16.659 -0.648 1.00 0.00 C ATOM 786 O PRO A 74 11.581 -17.799 -1.107 1.00 0.00 O ATOM 787 CB PRO A 74 12.600 -16.945 1.731 1.00 0.00 C ATOM 788 CG PRO A 74 11.900 -18.014 2.510 1.00 0.00 C ATOM 789 CD PRO A 74 10.439 -17.662 2.515 1.00 0.00 C ATOM 0 HA PRO A 74 11.514 -15.234 0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.420 -17.362 1.146 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.030 -16.196 2.396 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.060 -18.992 2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.288 -18.068 3.527 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.809 -18.551 2.546 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.173 -17.053 3.379 1.00 0.00 H new ATOM 797 N ASN A 75 12.348 -15.715 -1.352 1.00 0.00 N ATOM 798 CA ASN A 75 12.495 -15.821 -2.784 1.00 0.00 C ATOM 799 C ASN A 75 13.851 -16.362 -3.188 1.00 0.00 C ATOM 800 O ASN A 75 14.886 -15.839 -2.779 1.00 0.00 O ATOM 801 CB ASN A 75 12.192 -14.456 -3.439 1.00 0.00 C ATOM 802 CG ASN A 75 12.534 -14.311 -4.922 1.00 0.00 C ATOM 803 OD1 ASN A 75 12.500 -15.255 -5.701 1.00 0.00 O ATOM 804 ND2 ASN A 75 12.869 -13.104 -5.319 1.00 0.00 N ATOM 0 H ASN A 75 12.697 -14.841 -0.958 1.00 0.00 H new ATOM 0 HA ASN A 75 11.771 -16.549 -3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 75 11.129 -14.248 -3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.735 -13.687 -2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.108 -12.937 -6.296 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.890 -12.334 -4.650 1.00 0.00 H new ATOM 811 N PRO A 76 13.863 -17.428 -4.004 1.00 0.00 N ATOM 812 CA PRO A 76 15.090 -18.037 -4.544 1.00 0.00 C ATOM 813 C PRO A 76 15.940 -17.022 -5.305 1.00 0.00 C ATOM 814 O PRO A 76 17.166 -17.069 -5.282 1.00 0.00 O ATOM 815 CB PRO A 76 14.548 -19.078 -5.532 1.00 0.00 C ATOM 816 CG PRO A 76 13.141 -18.649 -5.777 1.00 0.00 C ATOM 817 CD PRO A 76 12.671 -18.159 -4.474 1.00 0.00 C ATOM 0 HA PRO A 76 15.728 -18.442 -3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 76 15.127 -19.091 -6.455 1.00 0.00 H new ATOM 0 HB3 PRO A 76 14.591 -20.084 -5.115 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.091 -17.868 -6.536 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.530 -19.478 -6.133 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.799 -17.511 -4.567 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.394 -18.972 -3.803 1.00 0.00 H new ATOM 825 N GLU A 77 15.284 -16.076 -5.939 1.00 0.00 N ATOM 826 CA GLU A 77 15.981 -15.102 -6.745 1.00 0.00 C ATOM 827 C GLU A 77 16.350 -13.890 -5.918 1.00 0.00 C ATOM 828 O GLU A 77 16.885 -12.910 -6.424 1.00 0.00 O ATOM 829 CB GLU A 77 15.150 -14.685 -7.958 1.00 0.00 C ATOM 830 CG GLU A 77 14.675 -15.843 -8.823 1.00 0.00 C ATOM 831 CD GLU A 77 15.798 -16.752 -9.239 1.00 0.00 C ATOM 832 OE1 GLU A 77 16.451 -16.499 -10.264 1.00 0.00 O ATOM 833 OE2 GLU A 77 16.062 -17.730 -8.538 1.00 0.00 O ATOM 0 H GLU A 77 14.271 -15.961 -5.912 1.00 0.00 H new ATOM 0 HA GLU A 77 16.896 -15.569 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.281 -14.125 -7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 77 15.742 -14.007 -8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.930 -16.419 -8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.183 -15.449 -9.712 1.00 0.00 H new ATOM 840 N ASP A 78 16.049 -13.960 -4.659 1.00 0.00 N ATOM 841 CA ASP A 78 16.369 -12.896 -3.719 1.00 0.00 C ATOM 842 C ASP A 78 17.584 -13.328 -2.920 1.00 0.00 C ATOM 843 O ASP A 78 18.191 -12.563 -2.183 1.00 0.00 O ATOM 844 CB ASP A 78 15.170 -12.648 -2.823 1.00 0.00 C ATOM 845 CG ASP A 78 15.288 -11.443 -1.932 1.00 0.00 C ATOM 846 OD1 ASP A 78 14.897 -10.346 -2.359 1.00 0.00 O ATOM 847 OD2 ASP A 78 15.701 -11.591 -0.771 1.00 0.00 O ATOM 0 H ASP A 78 15.571 -14.756 -4.238 1.00 0.00 H new ATOM 0 HA ASP A 78 16.598 -11.963 -4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.284 -12.535 -3.448 1.00 0.00 H new ATOM 0 HB3 ASP A 78 15.011 -13.529 -2.201 1.00 0.00 H new ATOM 852 N ARG A 79 17.944 -14.598 -3.113 1.00 0.00 N ATOM 853 CA ARG A 79 19.149 -15.168 -2.528 1.00 0.00 C ATOM 854 C ARG A 79 20.312 -14.666 -3.373 1.00 0.00 C ATOM 855 O ARG A 79 21.474 -14.601 -2.941 1.00 0.00 O ATOM 856 CB ARG A 79 19.109 -16.692 -2.608 1.00 0.00 C ATOM 857 CG ARG A 79 17.804 -17.343 -2.166 1.00 0.00 C ATOM 858 CD ARG A 79 17.408 -16.977 -0.742 1.00 0.00 C ATOM 859 NE ARG A 79 16.349 -17.858 -0.227 1.00 0.00 N ATOM 860 CZ ARG A 79 16.113 -18.088 1.070 1.00 0.00 C ATOM 861 NH1 ARG A 79 16.679 -17.322 2.001 1.00 0.00 N ATOM 862 NH2 ARG A 79 15.264 -19.053 1.425 1.00 0.00 N ATOM 0 H ARG A 79 17.407 -15.255 -3.679 1.00 0.00 H new ATOM 0 HA ARG A 79 19.243 -14.881 -1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 79 19.311 -16.989 -3.637 1.00 0.00 H new ATOM 0 HB3 ARG A 79 19.918 -17.091 -1.996 1.00 0.00 H new ATOM 0 HG2 ARG A 79 17.007 -17.045 -2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 79 17.900 -18.426 -2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 79 18.282 -17.041 -0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 79 17.066 -15.942 -0.714 1.00 0.00 H new ATOM 0 HE ARG A 79 15.751 -18.327 -0.907 1.00 0.00 H new ATOM 0 HH11 ARG A 79 17.295 -16.557 1.726 1.00 0.00 H new ATOM 0 HH12 ARG A 79 16.497 -17.501 2.989 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.798 -19.611 0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.080 -19.233 2.412 1.00 0.00 H new ATOM 876 N SER A 80 19.972 -14.359 -4.602 1.00 0.00 N ATOM 877 CA SER A 80 20.831 -13.751 -5.563 1.00 0.00 C ATOM 878 C SER A 80 21.115 -12.326 -5.089 1.00 0.00 C ATOM 879 O SER A 80 20.254 -11.729 -4.425 1.00 0.00 O ATOM 880 CB SER A 80 20.099 -13.741 -6.888 1.00 0.00 C ATOM 881 OG SER A 80 19.555 -15.035 -7.148 1.00 0.00 O ATOM 0 H SER A 80 19.037 -14.540 -4.968 1.00 0.00 H new ATOM 0 HA SER A 80 21.773 -14.287 -5.677 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.302 -12.998 -6.868 1.00 0.00 H new ATOM 0 HB3 SER A 80 20.781 -13.455 -7.689 1.00 0.00 H new ATOM 0 HG SER A 80 19.081 -15.024 -8.005 1.00 0.00 H new ATOM 887 N PRO A 81 22.322 -11.786 -5.363 1.00 0.00 N ATOM 888 CA PRO A 81 22.743 -10.476 -4.855 1.00 0.00 C ATOM 889 C PRO A 81 21.688 -9.385 -5.037 1.00 0.00 C ATOM 890 O PRO A 81 21.030 -9.285 -6.086 1.00 0.00 O ATOM 891 CB PRO A 81 23.999 -10.144 -5.680 1.00 0.00 C ATOM 892 CG PRO A 81 24.034 -11.162 -6.769 1.00 0.00 C ATOM 893 CD PRO A 81 23.352 -12.374 -6.221 1.00 0.00 C ATOM 0 HA PRO A 81 22.916 -10.515 -3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 81 23.947 -9.134 -6.087 1.00 0.00 H new ATOM 0 HB3 PRO A 81 24.898 -10.194 -5.066 1.00 0.00 H new ATOM 0 HG2 PRO A 81 23.524 -10.797 -7.661 1.00 0.00 H new ATOM 0 HG3 PRO A 81 25.060 -11.389 -7.058 1.00 0.00 H new ATOM 0 HD2 PRO A 81 22.922 -12.991 -7.010 1.00 0.00 H new ATOM 0 HD3 PRO A 81 24.038 -13.008 -5.659 1.00 0.00 H new ATOM 901 N SER A 82 21.531 -8.594 -4.028 1.00 0.00 N ATOM 902 CA SER A 82 20.605 -7.520 -4.042 1.00 0.00 C ATOM 903 C SER A 82 21.392 -6.223 -4.134 1.00 0.00 C ATOM 904 O SER A 82 22.541 -6.172 -3.676 1.00 0.00 O ATOM 905 CB SER A 82 19.750 -7.580 -2.773 1.00 0.00 C ATOM 906 OG SER A 82 19.103 -8.849 -2.670 1.00 0.00 O ATOM 0 H SER A 82 22.054 -8.681 -3.157 1.00 0.00 H new ATOM 0 HA SER A 82 19.932 -7.582 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.376 -7.411 -1.897 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.005 -6.785 -2.791 1.00 0.00 H new ATOM 0 HG SER A 82 18.561 -8.875 -1.854 1.00 0.00 H new ATOM 912 N PRO A 83 20.831 -5.182 -4.758 1.00 0.00 N ATOM 913 CA PRO A 83 21.520 -3.904 -4.917 1.00 0.00 C ATOM 914 C PRO A 83 21.828 -3.250 -3.575 1.00 0.00 C ATOM 915 O PRO A 83 21.092 -3.438 -2.596 1.00 0.00 O ATOM 916 CB PRO A 83 20.512 -3.045 -5.701 1.00 0.00 C ATOM 917 CG PRO A 83 19.194 -3.697 -5.483 1.00 0.00 C ATOM 918 CD PRO A 83 19.481 -5.159 -5.355 1.00 0.00 C ATOM 0 HA PRO A 83 22.482 -4.021 -5.416 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.507 -2.016 -5.341 1.00 0.00 H new ATOM 0 HB3 PRO A 83 20.764 -3.011 -6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.711 -3.313 -4.584 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.518 -3.502 -6.316 1.00 0.00 H new ATOM 0 HD2 PRO A 83 18.750 -5.660 -4.720 1.00 0.00 H new ATOM 0 HD3 PRO A 83 19.459 -5.661 -6.322 1.00 0.00 H new ATOM 926 N GLU A 84 22.930 -2.542 -3.515 1.00 0.00 N ATOM 927 CA GLU A 84 23.270 -1.782 -2.343 1.00 0.00 C ATOM 928 C GLU A 84 22.438 -0.501 -2.414 1.00 0.00 C ATOM 929 O GLU A 84 22.576 0.272 -3.384 1.00 0.00 O ATOM 930 CB GLU A 84 24.765 -1.454 -2.346 1.00 0.00 C ATOM 931 CG GLU A 84 25.285 -0.822 -1.067 1.00 0.00 C ATOM 932 CD GLU A 84 25.178 -1.751 0.109 1.00 0.00 C ATOM 933 OE1 GLU A 84 25.920 -2.752 0.151 1.00 0.00 O ATOM 934 OE2 GLU A 84 24.358 -1.507 1.008 1.00 0.00 O ATOM 0 H GLU A 84 23.610 -2.478 -4.273 1.00 0.00 H new ATOM 0 HA GLU A 84 23.062 -2.337 -1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 84 25.323 -2.372 -2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 84 24.972 -0.780 -3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 84 26.326 -0.531 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 84 24.724 0.090 -0.860 1.00 0.00 H new ATOM 941 N PRO A 85 21.530 -0.289 -1.451 1.00 0.00 N ATOM 942 CA PRO A 85 20.603 0.845 -1.457 1.00 0.00 C ATOM 943 C PRO A 85 21.300 2.199 -1.493 1.00 0.00 C ATOM 944 O PRO A 85 22.415 2.368 -0.970 1.00 0.00 O ATOM 945 CB PRO A 85 19.821 0.698 -0.156 1.00 0.00 C ATOM 946 CG PRO A 85 20.009 -0.717 0.259 1.00 0.00 C ATOM 947 CD PRO A 85 21.339 -1.137 -0.266 1.00 0.00 C ATOM 0 HA PRO A 85 19.982 0.825 -2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 85 20.193 1.384 0.606 1.00 0.00 H new ATOM 0 HB3 PRO A 85 18.766 0.927 -0.304 1.00 0.00 H new ATOM 0 HG2 PRO A 85 19.973 -0.811 1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 85 19.216 -1.348 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 85 22.128 -0.980 0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 85 21.351 -2.196 -0.525 1.00 0.00 H new ATOM 955 N ILE A 86 20.645 3.140 -2.109 1.00 0.00 N ATOM 956 CA ILE A 86 21.139 4.485 -2.223 1.00 0.00 C ATOM 957 C ILE A 86 20.784 5.239 -0.929 1.00 0.00 C ATOM 958 O ILE A 86 19.859 4.848 -0.202 1.00 0.00 O ATOM 959 CB ILE A 86 20.544 5.201 -3.488 1.00 0.00 C ATOM 960 CG1 ILE A 86 21.154 6.607 -3.687 1.00 0.00 C ATOM 961 CG2 ILE A 86 19.027 5.275 -3.394 1.00 0.00 C ATOM 962 CD1 ILE A 86 20.680 7.325 -4.938 1.00 0.00 C ATOM 0 H ILE A 86 19.739 2.994 -2.554 1.00 0.00 H new ATOM 0 HA ILE A 86 22.221 4.474 -2.353 1.00 0.00 H new ATOM 0 HB ILE A 86 20.808 4.606 -4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 86 20.914 7.220 -2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 86 22.240 6.517 -3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 86 18.632 5.774 -4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 86 18.617 4.267 -3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 86 18.745 5.837 -2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 86 21.157 8.303 -4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 86 20.944 6.737 -5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 86 19.598 7.451 -4.897 1.00 0.00 H new ATOM 974 N TYR A 87 21.544 6.246 -0.610 1.00 0.00 N ATOM 975 CA TYR A 87 21.320 7.012 0.590 1.00 0.00 C ATOM 976 C TYR A 87 20.182 7.992 0.377 1.00 0.00 C ATOM 977 O TYR A 87 19.922 8.440 -0.753 1.00 0.00 O ATOM 978 CB TYR A 87 22.595 7.759 1.014 1.00 0.00 C ATOM 979 CG TYR A 87 23.777 6.874 1.402 1.00 0.00 C ATOM 980 CD1 TYR A 87 24.252 5.894 0.546 1.00 0.00 C ATOM 981 CD2 TYR A 87 24.443 7.056 2.608 1.00 0.00 C ATOM 982 CE1 TYR A 87 25.336 5.126 0.865 1.00 0.00 C ATOM 983 CE2 TYR A 87 25.539 6.275 2.941 1.00 0.00 C ATOM 984 CZ TYR A 87 25.978 5.312 2.058 1.00 0.00 C ATOM 985 OH TYR A 87 27.086 4.537 2.357 1.00 0.00 O ATOM 0 H TYR A 87 22.336 6.562 -1.170 1.00 0.00 H new ATOM 0 HA TYR A 87 21.051 6.323 1.390 1.00 0.00 H new ATOM 0 HB2 TYR A 87 22.904 8.409 0.195 1.00 0.00 H new ATOM 0 HB3 TYR A 87 22.353 8.404 1.859 1.00 0.00 H new ATOM 0 HD1 TYR A 87 23.753 5.733 -0.398 1.00 0.00 H new ATOM 0 HD2 TYR A 87 24.102 7.816 3.295 1.00 0.00 H new ATOM 0 HE1 TYR A 87 25.686 4.372 0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 87 26.045 6.420 3.884 1.00 0.00 H new ATOM 0 HH TYR A 87 27.432 4.788 3.239 1.00 0.00 H new ATOM 995 N ASN A 88 19.488 8.282 1.432 1.00 0.00 N ATOM 996 CA ASN A 88 18.385 9.236 1.409 1.00 0.00 C ATOM 997 C ASN A 88 18.945 10.628 1.599 1.00 0.00 C ATOM 998 O ASN A 88 20.134 10.780 1.904 1.00 0.00 O ATOM 999 CB ASN A 88 17.391 8.946 2.541 1.00 0.00 C ATOM 1000 CG ASN A 88 16.721 7.596 2.469 1.00 0.00 C ATOM 1001 OD1 ASN A 88 16.524 7.031 1.394 1.00 0.00 O ATOM 1002 ND2 ASN A 88 16.357 7.072 3.616 1.00 0.00 N ATOM 0 H ASN A 88 19.659 7.869 2.349 1.00 0.00 H new ATOM 0 HA ASN A 88 17.865 9.152 0.454 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.915 9.025 3.494 1.00 0.00 H new ATOM 0 HB3 ASN A 88 16.621 9.718 2.536 1.00 0.00 H new ATOM 0 HD21 ASN A 88 15.893 6.164 3.637 1.00 0.00 H new ATOM 0 HD22 ASN A 88 16.539 7.573 4.486 1.00 0.00 H new ATOM 1009 N SER A 89 18.106 11.637 1.489 1.00 0.00 N ATOM 1010 CA SER A 89 18.532 13.026 1.656 1.00 0.00 C ATOM 1011 C SER A 89 18.957 13.315 3.110 1.00 0.00 C ATOM 1012 O SER A 89 19.645 14.287 3.384 1.00 0.00 O ATOM 1013 CB SER A 89 17.405 13.959 1.234 1.00 0.00 C ATOM 1014 OG SER A 89 16.981 13.669 -0.092 1.00 0.00 O ATOM 0 H SER A 89 17.113 11.527 1.283 1.00 0.00 H new ATOM 0 HA SER A 89 19.401 13.198 1.022 1.00 0.00 H new ATOM 0 HB2 SER A 89 16.565 13.856 1.920 1.00 0.00 H new ATOM 0 HB3 SER A 89 17.741 14.994 1.295 1.00 0.00 H new ATOM 0 HG SER A 89 16.255 14.278 -0.344 1.00 0.00 H new ATOM 1020 N GLU A 90 18.562 12.438 4.016 1.00 0.00 N ATOM 1021 CA GLU A 90 18.907 12.557 5.426 1.00 0.00 C ATOM 1022 C GLU A 90 20.326 12.025 5.681 1.00 0.00 C ATOM 1023 O GLU A 90 20.874 12.196 6.768 1.00 0.00 O ATOM 1024 CB GLU A 90 17.925 11.741 6.250 1.00 0.00 C ATOM 1025 CG GLU A 90 18.013 10.264 5.952 1.00 0.00 C ATOM 1026 CD GLU A 90 17.018 9.451 6.684 1.00 0.00 C ATOM 1027 OE1 GLU A 90 16.967 9.522 7.914 1.00 0.00 O ATOM 1028 OE2 GLU A 90 16.294 8.681 6.044 1.00 0.00 O ATOM 0 H GLU A 90 17.992 11.621 3.797 1.00 0.00 H new ATOM 0 HA GLU A 90 18.863 13.609 5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 90 18.118 11.907 7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.911 12.089 6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.879 10.109 4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 90 19.013 9.911 6.202 1.00 0.00 H new ATOM 1035 N GLY A 91 20.890 11.350 4.695 1.00 0.00 N ATOM 1036 CA GLY A 91 22.232 10.847 4.834 1.00 0.00 C ATOM 1037 C GLY A 91 22.310 9.381 5.240 1.00 0.00 C ATOM 1038 O GLY A 91 23.410 8.848 5.396 1.00 0.00 O ATOM 0 H GLY A 91 20.441 11.143 3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 91 22.757 10.979 3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.758 11.447 5.577 1.00 0.00 H new ATOM 1042 N LYS A 92 21.171 8.712 5.425 1.00 0.00 N ATOM 1043 CA LYS A 92 21.223 7.294 5.790 1.00 0.00 C ATOM 1044 C LYS A 92 20.979 6.425 4.584 1.00 0.00 C ATOM 1045 O LYS A 92 20.267 6.825 3.655 1.00 0.00 O ATOM 1046 CB LYS A 92 20.203 6.861 6.871 1.00 0.00 C ATOM 1047 CG LYS A 92 20.182 7.628 8.163 1.00 0.00 C ATOM 1048 CD LYS A 92 19.621 6.738 9.269 1.00 0.00 C ATOM 1049 CE LYS A 92 18.191 6.235 9.039 1.00 0.00 C ATOM 1050 NZ LYS A 92 17.162 7.273 9.217 1.00 0.00 N ATOM 0 H LYS A 92 20.236 9.108 5.333 1.00 0.00 H new ATOM 0 HA LYS A 92 22.224 7.164 6.201 1.00 0.00 H new ATOM 0 HB2 LYS A 92 19.207 6.917 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 92 20.390 5.813 7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.189 7.957 8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 92 19.571 8.525 8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 92 20.278 5.876 9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 92 19.648 7.291 10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 92 18.116 5.831 8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.989 5.414 9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 16.256 6.932 8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.056 7.486 10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.447 8.135 8.710 1.00 0.00 H new ATOM 1064 N ARG A 93 21.567 5.255 4.602 1.00 0.00 N ATOM 1065 CA ARG A 93 21.312 4.240 3.611 1.00 0.00 C ATOM 1066 C ARG A 93 20.102 3.463 4.123 1.00 0.00 C ATOM 1067 O ARG A 93 20.060 3.108 5.297 1.00 0.00 O ATOM 1068 CB ARG A 93 22.523 3.299 3.504 1.00 0.00 C ATOM 1069 CG ARG A 93 22.457 2.331 2.331 1.00 0.00 C ATOM 1070 CD ARG A 93 23.566 1.285 2.390 1.00 0.00 C ATOM 1071 NE ARG A 93 24.914 1.874 2.520 1.00 0.00 N ATOM 1072 CZ ARG A 93 26.033 1.177 2.804 1.00 0.00 C ATOM 1073 NH1 ARG A 93 26.035 -0.154 2.744 1.00 0.00 N ATOM 1074 NH2 ARG A 93 27.165 1.827 3.055 1.00 0.00 N ATOM 0 H ARG A 93 22.244 4.978 5.313 1.00 0.00 H new ATOM 0 HA ARG A 93 21.134 4.671 2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 93 23.429 3.899 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 93 22.608 2.728 4.428 1.00 0.00 H new ATOM 0 HG2 ARG A 93 21.488 1.832 2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 93 22.533 2.888 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 93 23.384 0.619 3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 93 23.529 0.674 1.488 1.00 0.00 H new ATOM 0 HE ARG A 93 25.005 2.881 2.385 1.00 0.00 H new ATOM 0 HH11 ARG A 93 25.186 -0.654 2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 93 26.886 -0.673 2.960 1.00 0.00 H new ATOM 0 HH21 ARG A 93 27.183 2.847 3.032 1.00 0.00 H new ATOM 0 HH22 ARG A 93 28.015 1.306 3.271 1.00 0.00 H new ATOM 1088 N LEU A 94 19.122 3.240 3.301 1.00 0.00 N ATOM 1089 CA LEU A 94 17.930 2.535 3.764 1.00 0.00 C ATOM 1090 C LEU A 94 17.962 1.082 3.283 1.00 0.00 C ATOM 1091 O LEU A 94 19.034 0.548 3.004 1.00 0.00 O ATOM 1092 CB LEU A 94 16.625 3.277 3.334 1.00 0.00 C ATOM 1093 CG LEU A 94 16.091 3.100 1.895 1.00 0.00 C ATOM 1094 CD1 LEU A 94 14.852 3.935 1.706 1.00 0.00 C ATOM 1095 CD2 LEU A 94 17.105 3.467 0.851 1.00 0.00 C ATOM 0 H LEU A 94 19.107 3.523 2.321 1.00 0.00 H new ATOM 0 HA LEU A 94 17.928 2.524 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 94 15.833 2.969 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.787 4.343 3.494 1.00 0.00 H new ATOM 0 HG LEU A 94 15.861 2.042 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 94 14.479 3.807 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 94 14.088 3.618 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 94 15.091 4.985 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 94 16.675 3.323 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 94 17.392 4.511 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.985 2.833 0.960 1.00 0.00 H new ATOM 1107 N ASN A 95 16.824 0.440 3.241 1.00 0.00 N ATOM 1108 CA ASN A 95 16.720 -0.933 2.779 1.00 0.00 C ATOM 1109 C ASN A 95 16.229 -0.978 1.362 1.00 0.00 C ATOM 1110 O ASN A 95 15.496 -0.098 0.937 1.00 0.00 O ATOM 1111 CB ASN A 95 15.787 -1.760 3.640 1.00 0.00 C ATOM 1112 CG ASN A 95 16.235 -1.911 5.073 1.00 0.00 C ATOM 1113 OD1 ASN A 95 15.410 -2.091 5.967 1.00 0.00 O ATOM 1114 ND2 ASN A 95 17.521 -1.800 5.327 1.00 0.00 N ATOM 0 H ASN A 95 15.935 0.850 3.526 1.00 0.00 H new ATOM 0 HA ASN A 95 17.722 -1.358 2.846 1.00 0.00 H new ATOM 0 HB2 ASN A 95 14.798 -1.302 3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 95 15.685 -2.751 3.197 1.00 0.00 H new ATOM 0 HD21 ASN A 95 17.858 -1.863 6.288 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.181 -1.651 4.563 1.00 0.00 H new ATOM 1121 N THR A 96 16.663 -1.953 0.613 1.00 0.00 N ATOM 1122 CA THR A 96 16.182 -2.088 -0.729 1.00 0.00 C ATOM 1123 C THR A 96 14.976 -3.058 -0.772 1.00 0.00 C ATOM 1124 O THR A 96 13.887 -2.669 -1.166 1.00 0.00 O ATOM 1125 CB THR A 96 17.317 -2.468 -1.756 1.00 0.00 C ATOM 1126 OG1 THR A 96 16.795 -2.578 -3.080 1.00 0.00 O ATOM 1127 CG2 THR A 96 18.048 -3.758 -1.381 1.00 0.00 C ATOM 0 H THR A 96 17.341 -2.657 0.906 1.00 0.00 H new ATOM 0 HA THR A 96 15.832 -1.109 -1.056 1.00 0.00 H new ATOM 0 HB THR A 96 18.043 -1.656 -1.719 1.00 0.00 H new ATOM 0 HG1 THR A 96 17.244 -1.931 -3.663 1.00 0.00 H new ATOM 0 HG21 THR A 96 18.818 -3.969 -2.124 1.00 0.00 H new ATOM 0 HG22 THR A 96 18.511 -3.642 -0.401 1.00 0.00 H new ATOM 0 HG23 THR A 96 17.337 -4.584 -1.351 1.00 0.00 H new ATOM 1135 N ARG A 97 15.149 -4.276 -0.253 1.00 0.00 N ATOM 1136 CA ARG A 97 14.102 -5.294 -0.295 1.00 0.00 C ATOM 1137 C ARG A 97 12.963 -4.959 0.654 1.00 0.00 C ATOM 1138 O ARG A 97 11.789 -4.926 0.251 1.00 0.00 O ATOM 1139 CB ARG A 97 14.673 -6.670 0.059 1.00 0.00 C ATOM 1140 CG ARG A 97 13.628 -7.783 0.108 1.00 0.00 C ATOM 1141 CD ARG A 97 14.233 -9.098 0.556 1.00 0.00 C ATOM 1142 NE ARG A 97 14.825 -9.016 1.894 1.00 0.00 N ATOM 1143 CZ ARG A 97 15.654 -9.914 2.435 1.00 0.00 C ATOM 1144 NH1 ARG A 97 16.081 -10.957 1.740 1.00 0.00 N ATOM 1145 NH2 ARG A 97 16.075 -9.730 3.668 1.00 0.00 N ATOM 0 H ARG A 97 16.009 -4.580 0.203 1.00 0.00 H new ATOM 0 HA ARG A 97 13.711 -5.315 -1.312 1.00 0.00 H new ATOM 0 HB2 ARG A 97 15.436 -6.934 -0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 97 15.168 -6.608 1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 97 12.826 -7.500 0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.180 -7.905 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.463 -9.869 0.549 1.00 0.00 H new ATOM 0 HD3 ARG A 97 14.997 -9.405 -0.158 1.00 0.00 H new ATOM 0 HE ARG A 97 14.584 -8.203 2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.777 -11.086 0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.714 -11.632 2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.768 -8.912 4.195 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.708 -10.405 4.097 1.00 0.00 H new ATOM 1159 N GLU A 98 13.311 -4.693 1.905 1.00 0.00 N ATOM 1160 CA GLU A 98 12.330 -4.409 2.949 1.00 0.00 C ATOM 1161 C GLU A 98 11.510 -3.202 2.604 1.00 0.00 C ATOM 1162 O GLU A 98 10.287 -3.261 2.586 1.00 0.00 O ATOM 1163 CB GLU A 98 12.994 -4.180 4.316 1.00 0.00 C ATOM 1164 CG GLU A 98 13.641 -5.406 4.955 1.00 0.00 C ATOM 1165 CD GLU A 98 14.775 -5.963 4.150 1.00 0.00 C ATOM 1166 OE1 GLU A 98 15.723 -5.221 3.855 1.00 0.00 O ATOM 1167 OE2 GLU A 98 14.710 -7.134 3.766 1.00 0.00 O ATOM 0 H GLU A 98 14.279 -4.667 2.227 1.00 0.00 H new ATOM 0 HA GLU A 98 11.687 -5.287 3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.755 -3.408 4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.243 -3.790 5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.005 -5.141 5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.885 -6.180 5.089 1.00 0.00 H new ATOM 1174 N PHE A 99 12.191 -2.144 2.254 1.00 0.00 N ATOM 1175 CA PHE A 99 11.559 -0.886 1.989 1.00 0.00 C ATOM 1176 C PHE A 99 10.702 -0.948 0.741 1.00 0.00 C ATOM 1177 O PHE A 99 9.615 -0.409 0.726 1.00 0.00 O ATOM 1178 CB PHE A 99 12.608 0.195 1.867 1.00 0.00 C ATOM 1179 CG PHE A 99 12.073 1.590 1.778 1.00 0.00 C ATOM 1180 CD1 PHE A 99 11.821 2.306 2.928 1.00 0.00 C ATOM 1181 CD2 PHE A 99 11.858 2.198 0.551 1.00 0.00 C ATOM 1182 CE1 PHE A 99 11.363 3.604 2.863 1.00 0.00 C ATOM 1183 CE2 PHE A 99 11.412 3.494 0.479 1.00 0.00 C ATOM 1184 CZ PHE A 99 11.164 4.199 1.634 1.00 0.00 C ATOM 0 H PHE A 99 13.205 -2.134 2.145 1.00 0.00 H new ATOM 0 HA PHE A 99 10.898 -0.650 2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 99 13.274 0.132 2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 99 13.211 -0.004 0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.984 1.845 3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 99 12.043 1.646 -0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.161 4.154 3.770 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.256 3.960 -0.483 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.813 5.219 1.579 1.00 0.00 H new ATOM 1194 N ARG A 100 11.178 -1.626 -0.292 1.00 0.00 N ATOM 1195 CA ARG A 100 10.421 -1.734 -1.537 1.00 0.00 C ATOM 1196 C ARG A 100 9.144 -2.548 -1.313 1.00 0.00 C ATOM 1197 O ARG A 100 8.088 -2.227 -1.868 1.00 0.00 O ATOM 1198 CB ARG A 100 11.290 -2.342 -2.634 1.00 0.00 C ATOM 1199 CG ARG A 100 10.685 -2.343 -4.022 1.00 0.00 C ATOM 1200 CD ARG A 100 11.700 -2.824 -5.043 1.00 0.00 C ATOM 1201 NE ARG A 100 12.905 -1.968 -5.061 1.00 0.00 N ATOM 1202 CZ ARG A 100 14.072 -2.282 -5.636 1.00 0.00 C ATOM 1203 NH1 ARG A 100 14.230 -3.450 -6.255 1.00 0.00 N ATOM 1204 NH2 ARG A 100 15.080 -1.415 -5.595 1.00 0.00 N ATOM 0 H ARG A 100 12.077 -2.107 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 100 10.126 -0.737 -1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.234 -1.798 -2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.525 -3.370 -2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 100 9.806 -2.988 -4.042 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.349 -1.339 -4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.986 -3.851 -4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.244 -2.832 -6.033 1.00 0.00 H new ATOM 0 HE ARG A 100 12.842 -1.062 -4.596 1.00 0.00 H new ATOM 0 HH11 ARG A 100 13.458 -4.115 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 100 15.123 -3.680 -6.690 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.961 -0.516 -5.127 1.00 0.00 H new ATOM 0 HH22 ARG A 100 15.972 -1.649 -6.031 1.00 0.00 H new ATOM 1218 N THR A 101 9.241 -3.569 -0.468 1.00 0.00 N ATOM 1219 CA THR A 101 8.091 -4.379 -0.116 1.00 0.00 C ATOM 1220 C THR A 101 7.133 -3.553 0.759 1.00 0.00 C ATOM 1221 O THR A 101 5.946 -3.464 0.472 1.00 0.00 O ATOM 1222 CB THR A 101 8.530 -5.665 0.631 1.00 0.00 C ATOM 1223 OG1 THR A 101 9.526 -6.347 -0.159 1.00 0.00 O ATOM 1224 CG2 THR A 101 7.340 -6.605 0.863 1.00 0.00 C ATOM 0 H THR A 101 10.110 -3.852 -0.015 1.00 0.00 H new ATOM 0 HA THR A 101 7.578 -4.680 -1.030 1.00 0.00 H new ATOM 0 HB THR A 101 8.937 -5.382 1.602 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.347 -5.812 -0.183 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.679 -7.498 1.389 1.00 0.00 H new ATOM 0 HG22 THR A 101 6.585 -6.096 1.462 1.00 0.00 H new ATOM 0 HG23 THR A 101 6.909 -6.890 -0.097 1.00 0.00 H new ATOM 1232 N ARG A 102 7.689 -2.908 1.790 1.00 0.00 N ATOM 1233 CA ARG A 102 6.924 -2.050 2.697 1.00 0.00 C ATOM 1234 C ARG A 102 6.215 -0.940 1.941 1.00 0.00 C ATOM 1235 O ARG A 102 5.022 -0.711 2.131 1.00 0.00 O ATOM 1236 CB ARG A 102 7.845 -1.421 3.752 1.00 0.00 C ATOM 1237 CG ARG A 102 7.213 -0.238 4.477 1.00 0.00 C ATOM 1238 CD ARG A 102 8.197 0.464 5.369 1.00 0.00 C ATOM 1239 NE ARG A 102 7.717 1.795 5.751 1.00 0.00 N ATOM 1240 CZ ARG A 102 8.128 2.469 6.828 1.00 0.00 C ATOM 1241 NH1 ARG A 102 8.877 1.869 7.750 1.00 0.00 N ATOM 1242 NH2 ARG A 102 7.762 3.729 6.997 1.00 0.00 N ATOM 0 H ARG A 102 8.681 -2.967 2.018 1.00 0.00 H new ATOM 0 HA ARG A 102 6.180 -2.680 3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.120 -2.181 4.483 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.766 -1.093 3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 102 6.819 0.467 3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 102 6.368 -0.586 5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.369 -0.133 6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 102 9.155 0.554 4.857 1.00 0.00 H new ATOM 0 HE ARG A 102 7.020 2.238 5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.140 0.890 7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 102 9.188 2.388 8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 102 7.167 4.184 6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.075 4.245 7.819 1.00 0.00 H new ATOM 1256 N LYS A 103 6.956 -0.262 1.084 1.00 0.00 N ATOM 1257 CA LYS A 103 6.431 0.854 0.350 1.00 0.00 C ATOM 1258 C LYS A 103 5.299 0.412 -0.540 1.00 0.00 C ATOM 1259 O LYS A 103 4.305 1.093 -0.635 1.00 0.00 O ATOM 1260 CB LYS A 103 7.521 1.591 -0.442 1.00 0.00 C ATOM 1261 CG LYS A 103 7.072 2.940 -1.007 1.00 0.00 C ATOM 1262 CD LYS A 103 6.568 3.883 0.106 1.00 0.00 C ATOM 1263 CE LYS A 103 7.644 4.227 1.133 1.00 0.00 C ATOM 1264 NZ LYS A 103 7.080 4.918 2.310 1.00 0.00 N ATOM 0 H LYS A 103 7.933 -0.475 0.884 1.00 0.00 H new ATOM 0 HA LYS A 103 6.038 1.571 1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.383 1.748 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.851 0.956 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.903 3.409 -1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 103 6.279 2.783 -1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 103 6.198 4.803 -0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 103 5.725 3.416 0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.145 3.314 1.454 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.400 4.859 0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.733 5.667 2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 6.163 5.340 2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 6.946 4.235 3.083 1.00 0.00 H new ATOM 1278 N LYS A 104 5.440 -0.756 -1.142 1.00 0.00 N ATOM 1279 CA LYS A 104 4.409 -1.306 -2.001 1.00 0.00 C ATOM 1280 C LYS A 104 3.101 -1.482 -1.217 1.00 0.00 C ATOM 1281 O LYS A 104 2.021 -1.177 -1.720 1.00 0.00 O ATOM 1282 CB LYS A 104 4.862 -2.650 -2.589 1.00 0.00 C ATOM 1283 CG LYS A 104 3.879 -3.282 -3.563 1.00 0.00 C ATOM 1284 CD LYS A 104 3.584 -2.347 -4.721 1.00 0.00 C ATOM 1285 CE LYS A 104 2.663 -2.980 -5.728 1.00 0.00 C ATOM 1286 NZ LYS A 104 2.243 -2.017 -6.763 1.00 0.00 N ATOM 0 H LYS A 104 6.267 -1.346 -1.049 1.00 0.00 H new ATOM 0 HA LYS A 104 4.234 -0.610 -2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.815 -2.505 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.041 -3.347 -1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.288 -4.218 -3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.953 -3.526 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.133 -1.430 -4.342 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.518 -2.066 -5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.165 -3.825 -6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.783 -3.375 -5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.133 -2.510 -7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.336 -1.587 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.964 -1.273 -6.858 1.00 0.00 H new ATOM 1300 N LEU A 105 3.222 -1.928 0.024 1.00 0.00 N ATOM 1301 CA LEU A 105 2.068 -2.142 0.891 1.00 0.00 C ATOM 1302 C LEU A 105 1.420 -0.816 1.181 1.00 0.00 C ATOM 1303 O LEU A 105 0.187 -0.677 1.120 1.00 0.00 O ATOM 1304 CB LEU A 105 2.509 -2.744 2.222 1.00 0.00 C ATOM 1305 CG LEU A 105 3.459 -3.920 2.158 1.00 0.00 C ATOM 1306 CD1 LEU A 105 3.785 -4.408 3.551 1.00 0.00 C ATOM 1307 CD2 LEU A 105 2.898 -5.032 1.300 1.00 0.00 C ATOM 0 H LEU A 105 4.117 -2.152 0.459 1.00 0.00 H new ATOM 0 HA LEU A 105 1.376 -2.818 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.981 -1.958 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.617 -3.057 2.765 1.00 0.00 H new ATOM 0 HG LEU A 105 4.385 -3.588 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.469 -5.254 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.253 -3.603 4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.868 -4.719 4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.603 -5.862 1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.952 -5.373 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.734 -4.663 0.288 1.00 0.00 H new ATOM 1319 N GLU A 106 2.265 0.169 1.465 1.00 0.00 N ATOM 1320 CA GLU A 106 1.816 1.499 1.756 1.00 0.00 C ATOM 1321 C GLU A 106 1.100 2.079 0.549 1.00 0.00 C ATOM 1322 O GLU A 106 0.017 2.645 0.684 1.00 0.00 O ATOM 1323 CB GLU A 106 2.979 2.412 2.154 1.00 0.00 C ATOM 1324 CG GLU A 106 3.762 1.981 3.385 1.00 0.00 C ATOM 1325 CD GLU A 106 4.699 3.078 3.842 1.00 0.00 C ATOM 1326 OE1 GLU A 106 4.197 4.145 4.260 1.00 0.00 O ATOM 1327 OE2 GLU A 106 5.946 2.934 3.747 1.00 0.00 O ATOM 0 H GLU A 106 3.278 0.054 1.496 1.00 0.00 H new ATOM 0 HA GLU A 106 1.128 1.441 2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.668 2.480 1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.588 3.414 2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.072 1.729 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.333 1.080 3.160 1.00 0.00 H new ATOM 1334 N GLU A 107 1.703 1.894 -0.612 1.00 0.00 N ATOM 1335 CA GLU A 107 1.193 2.378 -1.880 1.00 0.00 C ATOM 1336 C GLU A 107 -0.150 1.777 -2.239 1.00 0.00 C ATOM 1337 O GLU A 107 -1.079 2.514 -2.573 1.00 0.00 O ATOM 1338 CB GLU A 107 2.198 2.136 -2.997 1.00 0.00 C ATOM 1339 CG GLU A 107 3.440 3.007 -2.903 1.00 0.00 C ATOM 1340 CD GLU A 107 3.107 4.471 -2.985 1.00 0.00 C ATOM 1341 OE1 GLU A 107 2.945 4.991 -4.122 1.00 0.00 O ATOM 1342 OE2 GLU A 107 2.981 5.134 -1.932 1.00 0.00 O ATOM 0 H GLU A 107 2.585 1.389 -0.700 1.00 0.00 H new ATOM 0 HA GLU A 107 1.042 3.451 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.498 1.088 -2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.712 2.315 -3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.955 2.804 -1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.128 2.746 -3.707 1.00 0.00 H new ATOM 1349 N GLU A 108 -0.272 0.450 -2.167 1.00 0.00 N ATOM 1350 CA GLU A 108 -1.529 -0.213 -2.478 1.00 0.00 C ATOM 1351 C GLU A 108 -2.628 0.272 -1.551 1.00 0.00 C ATOM 1352 O GLU A 108 -3.733 0.595 -1.995 1.00 0.00 O ATOM 1353 CB GLU A 108 -1.377 -1.720 -2.372 1.00 0.00 C ATOM 1354 CG GLU A 108 -0.405 -2.306 -3.366 1.00 0.00 C ATOM 1355 CD GLU A 108 -0.823 -2.073 -4.791 1.00 0.00 C ATOM 1356 OE1 GLU A 108 -1.759 -2.755 -5.276 1.00 0.00 O ATOM 1357 OE2 GLU A 108 -0.214 -1.225 -5.470 1.00 0.00 O ATOM 0 H GLU A 108 0.484 -0.180 -1.897 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.804 0.036 -3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.048 -1.972 -1.364 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.352 -2.185 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.581 -1.870 -3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.312 -3.378 -3.189 1.00 0.00 H new ATOM 1364 N ARG A 109 -2.302 0.362 -0.268 1.00 0.00 N ATOM 1365 CA ARG A 109 -3.230 0.859 0.735 1.00 0.00 C ATOM 1366 C ARG A 109 -3.619 2.292 0.404 1.00 0.00 C ATOM 1367 O ARG A 109 -4.782 2.638 0.396 1.00 0.00 O ATOM 1368 CB ARG A 109 -2.531 0.871 2.096 1.00 0.00 C ATOM 1369 CG ARG A 109 -3.304 1.579 3.202 1.00 0.00 C ATOM 1370 CD ARG A 109 -2.346 2.156 4.225 1.00 0.00 C ATOM 1371 NE ARG A 109 -1.386 3.112 3.590 1.00 0.00 N ATOM 1372 CZ ARG A 109 -0.315 3.657 4.198 1.00 0.00 C ATOM 1373 NH1 ARG A 109 -0.141 3.507 5.508 1.00 0.00 N ATOM 1374 NH2 ARG A 109 0.560 4.390 3.494 1.00 0.00 N ATOM 0 H ARG A 109 -1.391 0.093 0.104 1.00 0.00 H new ATOM 0 HA ARG A 109 -4.113 0.220 0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -2.345 -0.158 2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.559 1.351 1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -3.915 2.375 2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -3.985 0.878 3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.909 2.667 5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -1.794 1.348 4.706 1.00 0.00 H new ATOM 0 HE ARG A 109 -1.556 3.372 2.618 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -0.820 2.978 6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 109 0.671 3.921 5.965 1.00 0.00 H new ATOM 0 HH21 ARG A 109 0.415 4.536 2.495 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.370 4.801 3.958 1.00 0.00 H new ATOM 1388 N HIS A 110 -2.621 3.078 0.075 1.00 0.00 N ATOM 1389 CA HIS A 110 -2.755 4.501 -0.187 1.00 0.00 C ATOM 1390 C HIS A 110 -3.672 4.723 -1.392 1.00 0.00 C ATOM 1391 O HIS A 110 -4.566 5.580 -1.358 1.00 0.00 O ATOM 1392 CB HIS A 110 -1.343 5.073 -0.442 1.00 0.00 C ATOM 1393 CG HIS A 110 -1.215 6.558 -0.496 1.00 0.00 C ATOM 1394 ND1 HIS A 110 -0.020 7.220 -0.342 1.00 0.00 N ATOM 1395 CD2 HIS A 110 -2.136 7.502 -0.726 1.00 0.00 C ATOM 1396 CE1 HIS A 110 -0.249 8.517 -0.488 1.00 0.00 C ATOM 1397 NE2 HIS A 110 -1.532 8.743 -0.726 1.00 0.00 N ATOM 0 H HIS A 110 -1.664 2.740 -0.022 1.00 0.00 H new ATOM 0 HA HIS A 110 -3.204 5.013 0.664 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -0.681 4.704 0.341 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -0.978 4.667 -1.385 1.00 0.00 H new ATOM 0 HD1 HIS A 110 0.884 6.789 -0.149 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -3.188 7.321 -0.887 1.00 0.00 H new ATOM 0 HE1 HIS A 110 0.507 9.285 -0.422 1.00 0.00 H new ATOM 1405 N ASN A 111 -3.456 3.937 -2.426 1.00 0.00 N ATOM 1406 CA ASN A 111 -4.250 4.003 -3.647 1.00 0.00 C ATOM 1407 C ASN A 111 -5.710 3.703 -3.319 1.00 0.00 C ATOM 1408 O ASN A 111 -6.614 4.423 -3.745 1.00 0.00 O ATOM 1409 CB ASN A 111 -3.704 2.978 -4.666 1.00 0.00 C ATOM 1410 CG ASN A 111 -4.320 3.065 -6.065 1.00 0.00 C ATOM 1411 OD1 ASN A 111 -5.476 3.456 -6.252 1.00 0.00 O ATOM 1412 ND2 ASN A 111 -3.552 2.694 -7.050 1.00 0.00 N ATOM 0 H ASN A 111 -2.722 3.229 -2.449 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.185 5.001 -4.080 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.626 3.112 -4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -3.870 1.975 -4.274 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -3.902 2.722 -8.008 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.601 2.376 -6.863 1.00 0.00 H new ATOM 1419 N LEU A 112 -5.923 2.688 -2.499 1.00 0.00 N ATOM 1420 CA LEU A 112 -7.262 2.304 -2.112 1.00 0.00 C ATOM 1421 C LEU A 112 -7.926 3.365 -1.247 1.00 0.00 C ATOM 1422 O LEU A 112 -9.095 3.676 -1.449 1.00 0.00 O ATOM 1423 CB LEU A 112 -7.279 0.958 -1.406 1.00 0.00 C ATOM 1424 CG LEU A 112 -6.799 -0.254 -2.206 1.00 0.00 C ATOM 1425 CD1 LEU A 112 -7.090 -1.517 -1.437 1.00 0.00 C ATOM 1426 CD2 LEU A 112 -7.439 -0.310 -3.587 1.00 0.00 C ATOM 0 H LEU A 112 -5.183 2.117 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.838 2.211 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.663 1.038 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.299 0.762 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.723 -0.158 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.747 -2.379 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.571 -1.488 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.163 -1.599 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.072 -1.185 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.522 -0.376 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.182 0.591 -4.144 1.00 0.00 H new ATOM 1438 N ILE A 113 -7.175 3.931 -0.292 1.00 0.00 N ATOM 1439 CA ILE A 113 -7.702 5.000 0.567 1.00 0.00 C ATOM 1440 C ILE A 113 -8.173 6.162 -0.293 1.00 0.00 C ATOM 1441 O ILE A 113 -9.300 6.619 -0.159 1.00 0.00 O ATOM 1442 CB ILE A 113 -6.653 5.567 1.566 1.00 0.00 C ATOM 1443 CG1 ILE A 113 -6.008 4.467 2.414 1.00 0.00 C ATOM 1444 CG2 ILE A 113 -7.312 6.600 2.478 1.00 0.00 C ATOM 1445 CD1 ILE A 113 -6.965 3.674 3.253 1.00 0.00 C ATOM 0 H ILE A 113 -6.209 3.669 -0.096 1.00 0.00 H new ATOM 0 HA ILE A 113 -8.514 4.550 1.138 1.00 0.00 H new ATOM 0 HB ILE A 113 -5.863 6.036 0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.475 3.784 1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -5.264 4.922 3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -6.573 6.994 3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.712 7.415 1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -8.122 6.129 3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.416 2.920 3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -7.481 4.340 3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -7.695 3.185 2.608 1.00 0.00 H new ATOM 1457 N THR A 114 -7.314 6.578 -1.214 1.00 0.00 N ATOM 1458 CA THR A 114 -7.592 7.697 -2.102 1.00 0.00 C ATOM 1459 C THR A 114 -8.860 7.416 -2.925 1.00 0.00 C ATOM 1460 O THR A 114 -9.721 8.289 -3.095 1.00 0.00 O ATOM 1461 CB THR A 114 -6.386 7.925 -3.053 1.00 0.00 C ATOM 1462 OG1 THR A 114 -5.175 8.030 -2.269 1.00 0.00 O ATOM 1463 CG2 THR A 114 -6.562 9.200 -3.871 1.00 0.00 C ATOM 0 H THR A 114 -6.402 6.147 -1.366 1.00 0.00 H new ATOM 0 HA THR A 114 -7.751 8.594 -1.503 1.00 0.00 H new ATOM 0 HB THR A 114 -6.325 7.080 -3.739 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.792 7.138 -2.138 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.702 9.333 -4.527 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.469 9.125 -4.471 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.641 10.055 -3.200 1.00 0.00 H new ATOM 1471 N GLU A 115 -8.986 6.181 -3.368 1.00 0.00 N ATOM 1472 CA GLU A 115 -10.102 5.761 -4.168 1.00 0.00 C ATOM 1473 C GLU A 115 -11.381 5.767 -3.333 1.00 0.00 C ATOM 1474 O GLU A 115 -12.391 6.343 -3.722 1.00 0.00 O ATOM 1475 CB GLU A 115 -9.860 4.353 -4.686 1.00 0.00 C ATOM 1476 CG GLU A 115 -10.717 3.999 -5.869 1.00 0.00 C ATOM 1477 CD GLU A 115 -10.299 4.777 -7.080 1.00 0.00 C ATOM 1478 OE1 GLU A 115 -9.406 4.299 -7.819 1.00 0.00 O ATOM 1479 OE2 GLU A 115 -10.830 5.882 -7.322 1.00 0.00 O ATOM 0 H GLU A 115 -8.309 5.442 -3.178 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.211 6.452 -5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.811 4.251 -4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -10.049 3.640 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -10.640 2.931 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -11.763 4.206 -5.641 1.00 0.00 H new ATOM 1486 N MET A 116 -11.313 5.152 -2.173 1.00 0.00 N ATOM 1487 CA MET A 116 -12.466 5.006 -1.316 1.00 0.00 C ATOM 1488 C MET A 116 -12.941 6.350 -0.764 1.00 0.00 C ATOM 1489 O MET A 116 -14.131 6.553 -0.597 1.00 0.00 O ATOM 1490 CB MET A 116 -12.208 3.985 -0.208 1.00 0.00 C ATOM 1491 CG MET A 116 -13.432 3.665 0.629 1.00 0.00 C ATOM 1492 SD MET A 116 -13.120 2.390 1.852 1.00 0.00 S ATOM 1493 CE MET A 116 -14.703 2.346 2.682 1.00 0.00 C ATOM 0 H MET A 116 -10.458 4.740 -1.799 1.00 0.00 H new ATOM 0 HA MET A 116 -13.281 4.618 -1.927 1.00 0.00 H new ATOM 0 HB2 MET A 116 -11.835 3.064 -0.656 1.00 0.00 H new ATOM 0 HB3 MET A 116 -11.422 4.363 0.445 1.00 0.00 H new ATOM 0 HG2 MET A 116 -13.770 4.571 1.132 1.00 0.00 H new ATOM 0 HG3 MET A 116 -14.242 3.344 -0.026 1.00 0.00 H new ATOM 0 HE1 MET A 116 -14.557 2.090 3.731 1.00 0.00 H new ATOM 0 HE2 MET A 116 -15.179 3.324 2.610 1.00 0.00 H new ATOM 0 HE3 MET A 116 -15.340 1.597 2.211 1.00 0.00 H new ATOM 1503 N VAL A 117 -12.011 7.272 -0.520 1.00 0.00 N ATOM 1504 CA VAL A 117 -12.353 8.632 -0.089 1.00 0.00 C ATOM 1505 C VAL A 117 -13.111 9.373 -1.223 1.00 0.00 C ATOM 1506 O VAL A 117 -13.997 10.205 -0.976 1.00 0.00 O ATOM 1507 CB VAL A 117 -11.078 9.438 0.363 1.00 0.00 C ATOM 1508 CG1 VAL A 117 -11.390 10.896 0.609 1.00 0.00 C ATOM 1509 CG2 VAL A 117 -10.498 8.857 1.633 1.00 0.00 C ATOM 0 H VAL A 117 -11.009 7.103 -0.613 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.007 8.559 0.780 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.358 9.360 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.483 11.415 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.771 11.346 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.142 10.980 1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.618 9.430 1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.243 8.903 2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -10.214 7.819 1.462 1.00 0.00 H new ATOM 1519 N ALA A 118 -12.748 9.069 -2.455 1.00 0.00 N ATOM 1520 CA ALA A 118 -13.403 9.641 -3.618 1.00 0.00 C ATOM 1521 C ALA A 118 -14.801 9.036 -3.786 1.00 0.00 C ATOM 1522 O ALA A 118 -15.786 9.751 -4.028 1.00 0.00 O ATOM 1523 CB ALA A 118 -12.563 9.390 -4.862 1.00 0.00 C ATOM 0 H ALA A 118 -11.993 8.421 -2.678 1.00 0.00 H new ATOM 0 HA ALA A 118 -13.505 10.717 -3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.061 9.822 -5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.583 9.851 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.443 8.317 -5.009 1.00 0.00 H new ATOM 1529 N LEU A 119 -14.879 7.722 -3.638 1.00 0.00 N ATOM 1530 CA LEU A 119 -16.134 6.984 -3.763 1.00 0.00 C ATOM 1531 C LEU A 119 -17.095 7.364 -2.646 1.00 0.00 C ATOM 1532 O LEU A 119 -18.265 7.696 -2.887 1.00 0.00 O ATOM 1533 CB LEU A 119 -15.865 5.473 -3.683 1.00 0.00 C ATOM 1534 CG LEU A 119 -14.950 4.875 -4.752 1.00 0.00 C ATOM 1535 CD1 LEU A 119 -14.635 3.431 -4.421 1.00 0.00 C ATOM 1536 CD2 LEU A 119 -15.593 4.966 -6.124 1.00 0.00 C ATOM 0 H LEU A 119 -14.073 7.133 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 119 -16.578 7.236 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -15.432 5.257 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -16.823 4.955 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 119 -14.022 5.447 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -13.983 3.016 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -14.135 3.380 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -15.561 2.857 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -14.924 4.535 -6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -16.535 4.418 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -15.782 6.011 -6.369 1.00 0.00 H new ATOM 1548 N ASN A 120 -16.593 7.344 -1.439 1.00 0.00 N ATOM 1549 CA ASN A 120 -17.387 7.627 -0.272 1.00 0.00 C ATOM 1550 C ASN A 120 -16.774 8.778 0.484 1.00 0.00 C ATOM 1551 O ASN A 120 -15.725 8.628 1.104 1.00 0.00 O ATOM 1552 CB ASN A 120 -17.462 6.412 0.653 1.00 0.00 C ATOM 1553 CG ASN A 120 -18.376 6.630 1.850 1.00 0.00 C ATOM 1554 OD1 ASN A 120 -19.336 7.390 1.783 1.00 0.00 O ATOM 1555 ND2 ASN A 120 -18.096 5.969 2.937 1.00 0.00 N ATOM 0 H ASN A 120 -15.616 7.130 -1.237 1.00 0.00 H new ATOM 0 HA ASN A 120 -18.395 7.880 -0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -17.816 5.551 0.085 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -16.460 6.170 1.007 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -18.683 6.076 3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -17.290 5.344 2.961 1.00 0.00 H new ATOM 1562 N PRO A 121 -17.422 9.935 0.470 1.00 0.00 N ATOM 1563 CA PRO A 121 -16.919 11.130 1.160 1.00 0.00 C ATOM 1564 C PRO A 121 -16.989 10.978 2.688 1.00 0.00 C ATOM 1565 O PRO A 121 -16.357 11.731 3.436 1.00 0.00 O ATOM 1566 CB PRO A 121 -17.877 12.225 0.687 1.00 0.00 C ATOM 1567 CG PRO A 121 -19.129 11.492 0.367 1.00 0.00 C ATOM 1568 CD PRO A 121 -18.702 10.195 -0.221 1.00 0.00 C ATOM 0 HA PRO A 121 -15.871 11.333 0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -18.040 12.975 1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -17.486 12.748 -0.186 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -19.730 11.336 1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -19.743 12.056 -0.335 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -19.431 9.406 -0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.573 10.262 -1.301 1.00 0.00 H new ATOM 1576 N ASP A 122 -17.741 9.988 3.134 1.00 0.00 N ATOM 1577 CA ASP A 122 -17.926 9.719 4.550 1.00 0.00 C ATOM 1578 C ASP A 122 -16.879 8.722 5.064 1.00 0.00 C ATOM 1579 O ASP A 122 -16.807 8.440 6.245 1.00 0.00 O ATOM 1580 CB ASP A 122 -19.357 9.196 4.794 1.00 0.00 C ATOM 1581 CG ASP A 122 -19.637 8.828 6.233 1.00 0.00 C ATOM 1582 OD1 ASP A 122 -19.871 9.724 7.063 1.00 0.00 O ATOM 1583 OD2 ASP A 122 -19.641 7.622 6.560 1.00 0.00 O ATOM 0 H ASP A 122 -18.243 9.345 2.522 1.00 0.00 H new ATOM 0 HA ASP A 122 -17.790 10.647 5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -20.070 9.957 4.478 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -19.526 8.321 4.166 1.00 0.00 H new ATOM 1588 N PHE A 123 -16.046 8.224 4.174 1.00 0.00 N ATOM 1589 CA PHE A 123 -15.023 7.264 4.550 1.00 0.00 C ATOM 1590 C PHE A 123 -13.984 7.897 5.466 1.00 0.00 C ATOM 1591 O PHE A 123 -13.381 8.913 5.121 1.00 0.00 O ATOM 1592 CB PHE A 123 -14.361 6.667 3.297 1.00 0.00 C ATOM 1593 CG PHE A 123 -13.118 5.848 3.553 1.00 0.00 C ATOM 1594 CD1 PHE A 123 -13.087 4.840 4.504 1.00 0.00 C ATOM 1595 CD2 PHE A 123 -11.979 6.108 2.839 1.00 0.00 C ATOM 1596 CE1 PHE A 123 -11.929 4.115 4.719 1.00 0.00 C ATOM 1597 CE2 PHE A 123 -10.827 5.400 3.039 1.00 0.00 C ATOM 1598 CZ PHE A 123 -10.794 4.397 3.985 1.00 0.00 C ATOM 0 H PHE A 123 -16.055 8.467 3.183 1.00 0.00 H new ATOM 0 HA PHE A 123 -15.502 6.457 5.104 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -15.090 6.040 2.784 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -14.107 7.481 2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -13.973 4.619 5.081 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -11.991 6.894 2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -11.913 3.329 5.460 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -9.945 5.625 2.458 1.00 0.00 H new ATOM 0 HZ PHE A 123 -9.886 3.836 4.151 1.00 0.00 H new ATOM 1608 N LYS A 124 -13.808 7.316 6.631 1.00 0.00 N ATOM 1609 CA LYS A 124 -12.818 7.787 7.568 1.00 0.00 C ATOM 1610 C LYS A 124 -11.576 6.954 7.368 1.00 0.00 C ATOM 1611 O LYS A 124 -11.608 5.745 7.623 1.00 0.00 O ATOM 1612 CB LYS A 124 -13.273 7.640 9.050 1.00 0.00 C ATOM 1613 CG LYS A 124 -14.587 8.331 9.449 1.00 0.00 C ATOM 1614 CD LYS A 124 -15.814 7.564 8.974 1.00 0.00 C ATOM 1615 CE LYS A 124 -17.097 8.252 9.396 1.00 0.00 C ATOM 1616 NZ LYS A 124 -18.302 7.535 8.915 1.00 0.00 N ATOM 0 H LYS A 124 -14.344 6.510 6.953 1.00 0.00 H new ATOM 0 HA LYS A 124 -12.649 8.848 7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -13.369 6.577 9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -12.479 8.028 9.688 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -14.625 8.436 10.533 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -14.607 9.337 9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -15.789 7.472 7.888 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -15.792 6.553 9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -17.128 8.323 10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -17.105 9.271 9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -19.155 8.032 9.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -18.296 7.504 7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -18.302 6.565 9.290 1.00 0.00 H new ATOM 1630 N PRO A 125 -10.485 7.541 6.871 1.00 0.00 N ATOM 1631 CA PRO A 125 -9.253 6.807 6.656 1.00 0.00 C ATOM 1632 C PRO A 125 -8.676 6.295 7.985 1.00 0.00 C ATOM 1633 O PRO A 125 -8.820 6.952 9.026 1.00 0.00 O ATOM 1634 CB PRO A 125 -8.298 7.811 6.003 1.00 0.00 C ATOM 1635 CG PRO A 125 -9.126 9.009 5.653 1.00 0.00 C ATOM 1636 CD PRO A 125 -10.369 8.959 6.488 1.00 0.00 C ATOM 0 HA PRO A 125 -9.412 5.927 6.033 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -7.491 8.081 6.685 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -7.834 7.385 5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -8.572 9.927 5.846 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -9.377 9.005 4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -10.288 9.603 7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -11.241 9.293 5.926 1.00 0.00 H new ATOM 1644 N PRO A 126 -8.063 5.108 7.976 1.00 0.00 N ATOM 1645 CA PRO A 126 -7.480 4.516 9.176 1.00 0.00 C ATOM 1646 C PRO A 126 -6.320 5.352 9.728 1.00 0.00 C ATOM 1647 O PRO A 126 -5.645 6.090 8.982 1.00 0.00 O ATOM 1648 CB PRO A 126 -6.977 3.145 8.693 1.00 0.00 C ATOM 1649 CG PRO A 126 -6.825 3.294 7.230 1.00 0.00 C ATOM 1650 CD PRO A 126 -7.907 4.234 6.805 1.00 0.00 C ATOM 0 HA PRO A 126 -8.200 4.453 9.992 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -6.030 2.882 9.165 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -7.686 2.354 8.939 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -5.841 3.689 6.977 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -6.922 2.332 6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.626 4.797 5.915 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -8.831 3.706 6.569 1.00 0.00 H new ATOM 1658 N ALA A 127 -6.081 5.227 11.011 1.00 0.00 N ATOM 1659 CA ALA A 127 -5.015 5.954 11.695 1.00 0.00 C ATOM 1660 C ALA A 127 -3.642 5.460 11.248 1.00 0.00 C ATOM 1661 O ALA A 127 -2.635 6.151 11.388 1.00 0.00 O ATOM 1662 CB ALA A 127 -5.168 5.829 13.199 1.00 0.00 C ATOM 0 H ALA A 127 -6.620 4.615 11.624 1.00 0.00 H new ATOM 0 HA ALA A 127 -5.095 7.007 11.427 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -4.365 6.377 13.693 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -6.130 6.242 13.502 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -5.119 4.778 13.484 1.00 0.00 H new ATOM 1668 N ASP A 128 -3.623 4.270 10.676 1.00 0.00 N ATOM 1669 CA ASP A 128 -2.390 3.659 10.161 1.00 0.00 C ATOM 1670 C ASP A 128 -2.058 4.197 8.777 1.00 0.00 C ATOM 1671 O ASP A 128 -1.003 3.883 8.205 1.00 0.00 O ATOM 1672 CB ASP A 128 -2.517 2.132 10.066 1.00 0.00 C ATOM 1673 CG ASP A 128 -2.551 1.404 11.391 1.00 0.00 C ATOM 1674 OD1 ASP A 128 -3.613 1.364 12.043 1.00 0.00 O ATOM 1675 OD2 ASP A 128 -1.529 0.817 11.779 1.00 0.00 O ATOM 0 H ASP A 128 -4.455 3.693 10.551 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.595 3.913 10.862 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -3.427 1.893 9.515 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.680 1.750 9.481 1.00 0.00 H new ATOM 1680 N TYR A 129 -2.952 4.987 8.230 1.00 0.00 N ATOM 1681 CA TYR A 129 -2.777 5.563 6.923 1.00 0.00 C ATOM 1682 C TYR A 129 -2.041 6.866 6.994 1.00 0.00 C ATOM 1683 O TYR A 129 -2.345 7.726 7.818 1.00 0.00 O ATOM 1684 CB TYR A 129 -4.132 5.752 6.227 1.00 0.00 C ATOM 1685 CG TYR A 129 -4.121 6.623 4.981 1.00 0.00 C ATOM 1686 CD1 TYR A 129 -3.381 6.288 3.847 1.00 0.00 C ATOM 1687 CD2 TYR A 129 -4.877 7.780 4.945 1.00 0.00 C ATOM 1688 CE1 TYR A 129 -3.409 7.093 2.719 1.00 0.00 C ATOM 1689 CE2 TYR A 129 -4.910 8.577 3.830 1.00 0.00 C ATOM 1690 CZ TYR A 129 -4.184 8.233 2.719 1.00 0.00 C ATOM 1691 OH TYR A 129 -4.235 9.041 1.605 1.00 0.00 O ATOM 0 H TYR A 129 -3.827 5.248 8.685 1.00 0.00 H new ATOM 0 HA TYR A 129 -2.176 4.869 6.335 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -4.520 4.770 5.957 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.830 6.185 6.944 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -2.779 5.391 3.848 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.454 8.062 5.814 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -2.828 6.829 1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -5.508 9.476 3.827 1.00 0.00 H new ATOM 0 HH TYR A 129 -4.830 9.800 1.778 1.00 0.00 H new ATOM 1701 N LYS A 130 -1.082 6.993 6.137 1.00 0.00 N ATOM 1702 CA LYS A 130 -0.348 8.198 5.988 1.00 0.00 C ATOM 1703 C LYS A 130 -0.762 8.834 4.677 1.00 0.00 C ATOM 1704 O LYS A 130 -0.527 8.250 3.611 1.00 0.00 O ATOM 1705 CB LYS A 130 1.131 7.909 5.963 1.00 0.00 C ATOM 1706 CG LYS A 130 1.695 7.331 7.250 1.00 0.00 C ATOM 1707 CD LYS A 130 1.617 8.319 8.410 1.00 0.00 C ATOM 1708 CE LYS A 130 2.163 7.700 9.686 1.00 0.00 C ATOM 1709 NZ LYS A 130 2.150 8.647 10.824 1.00 0.00 N ATOM 0 H LYS A 130 -0.784 6.245 5.510 1.00 0.00 H new ATOM 0 HA LYS A 130 -0.553 8.866 6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 130 1.336 7.213 5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 130 1.662 8.833 5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 130 1.147 6.425 7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 130 2.734 7.041 7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 130 2.183 9.218 8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 130 0.582 8.625 8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 130 1.572 6.821 9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 130 3.184 7.358 9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 2.532 8.178 11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 2.735 9.475 10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 1.174 8.954 11.009 1.00 0.00 H new ATOM 1723 N PRO A 131 -1.415 9.994 4.737 1.00 0.00 N ATOM 1724 CA PRO A 131 -1.917 10.712 3.545 1.00 0.00 C ATOM 1725 C PRO A 131 -0.784 11.260 2.663 1.00 0.00 C ATOM 1726 O PRO A 131 0.369 11.342 3.107 1.00 0.00 O ATOM 1727 CB PRO A 131 -2.703 11.876 4.165 1.00 0.00 C ATOM 1728 CG PRO A 131 -2.041 12.092 5.465 1.00 0.00 C ATOM 1729 CD PRO A 131 -1.730 10.733 5.975 1.00 0.00 C ATOM 0 HA PRO A 131 -2.499 10.063 2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -2.658 12.768 3.540 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -3.757 11.627 4.289 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -1.135 12.687 5.351 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -2.692 12.631 6.153 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -0.889 10.742 6.668 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -2.575 10.295 6.506 1.00 0.00 H new ATOM 1737 N PRO A 132 -1.086 11.633 1.414 1.00 0.00 N ATOM 1738 CA PRO A 132 -0.108 12.216 0.516 1.00 0.00 C ATOM 1739 C PRO A 132 0.167 13.671 0.878 1.00 0.00 C ATOM 1740 O PRO A 132 -0.630 14.315 1.604 1.00 0.00 O ATOM 1741 CB PRO A 132 -0.782 12.128 -0.857 1.00 0.00 C ATOM 1742 CG PRO A 132 -2.227 12.212 -0.553 1.00 0.00 C ATOM 1743 CD PRO A 132 -2.414 11.514 0.766 1.00 0.00 C ATOM 0 HA PRO A 132 0.854 11.706 0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.464 12.940 -1.510 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -0.534 11.195 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -2.554 13.250 -0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -2.819 11.735 -1.334 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -3.195 11.986 1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -2.702 10.472 0.631 1.00 0.00 H new ATOM 1751 N ALA A 133 1.278 14.176 0.403 1.00 0.00 N ATOM 1752 CA ALA A 133 1.662 15.546 0.636 1.00 0.00 C ATOM 1753 C ALA A 133 0.845 16.473 -0.266 1.00 0.00 C ATOM 1754 O ALA A 133 -0.028 16.008 -1.004 1.00 0.00 O ATOM 1755 CB ALA A 133 3.145 15.712 0.378 1.00 0.00 C ATOM 0 H ALA A 133 1.945 13.646 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 133 1.461 15.810 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 133 3.431 16.749 0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 133 3.706 15.061 1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 133 3.367 15.446 -0.656 1.00 0.00 H new