USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1066 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 62 TYR OH : rot 120:sc= -3.26! USER MOD Set 2.1: A 53 MET CE :methyl 169:sc= -2.09! (180deg=-2.41!) USER MOD Set 2.2: A 104 CYS SG : rot 72:sc= 0.435 USER MOD Set 2.3: A 105 CYS SG : rot -105:sc= 0.879 USER MOD Set 2.4: A 108 CYS SG : rot -15:sc= 0.509 USER MOD Set 2.5: A 120 CYS SG : rot -123:sc= -0.0643 USER MOD Set 2.6: A 122 CYS SG : rot 84:sc= 1.2 USER MOD Set 2.7: A 145 CYS SG : rot -136:sc= 1.21 USER MOD Set 2.8: A 147 HIS : no HD1:sc= -0.555 K(o=1.8,f=3.2) USER MOD Set 2.9: A 148 CYS SG : rot -35:sc= -0.715 USER MOD Set 2.10: A 150 CYS SG : rot -152:sc= -0.079 USER MOD Set 2.11: A 153 CYS SG : rot 23:sc= 1.04 USER MOD Set 3.1: A 45 SER OG : rot 180:sc= -0.689 USER MOD Set 3.2: A 46 ASN : amide:sc= -0.137 K(o=-0.83,f=-2.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 83:sc= -0.273 USER MOD Single : A 29 GLN : amide:sc= -0.0225 K(o=-0.022,f=-2.2!) USER MOD Single : A 34 GLN : amide:sc= -0.0448 X(o=-0.045,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.803 K(o=-0.8,f=-1.8) USER MOD Single : A 54 GLN : amide:sc= -0.621 K(o=-0.62,f=-3.6!) USER MOD Single : A 56 HIS : no HE2:sc= -2.21! C(o=-2.2!,f=-3.6!) USER MOD Single : A 57 HIS : no HE2:sc= -2.25 K(o=-2.3,f=-3.6) USER MOD Single : A 58 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.041) USER MOD Single : A 60 SER OG : rot -2:sc= 0.275 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 68:sc= 1.07 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -130:sc= 0.904 (180deg=-0.251) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 84:sc= 0.979 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0248) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.0631 K(o=-0.063,f=-1.7!) USER MOD Single : A 119 THR OG1 : rot 34:sc= 0.795 USER MOD Single : A 128 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 THR OG1 : rot -116:sc= 0.125 USER MOD Single : A 139 GLN : amide:sc= -0.299 K(o=-0.3,f=-2.3!) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.086) USER MOD Single : A 144 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.9) USER MOD Single : A 155 SER OG : rot 180:sc= 0.303 USER MOD ----------------------------------------------------------------- ATOM 216 N ALA A 12 -15.337 -7.165 19.039 1.00 0.00 N ATOM 217 CA ALA A 12 -13.845 -7.157 19.181 1.00 0.00 C ATOM 218 C ALA A 12 -13.465 -7.176 20.671 1.00 0.00 C ATOM 219 O ALA A 12 -14.200 -6.667 21.494 1.00 0.00 O ATOM 220 CB ALA A 12 -13.377 -5.855 18.520 1.00 0.00 C ATOM 0 HA ALA A 12 -13.381 -8.027 18.717 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.291 -5.783 18.587 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.677 -5.851 17.472 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.830 -5.005 19.030 1.00 0.00 H new ATOM 226 N PRO A 13 -12.332 -7.767 20.979 1.00 0.00 N ATOM 227 CA PRO A 13 -11.883 -7.843 22.393 1.00 0.00 C ATOM 228 C PRO A 13 -11.478 -6.458 22.912 1.00 0.00 C ATOM 229 O PRO A 13 -11.249 -5.544 22.144 1.00 0.00 O ATOM 230 CB PRO A 13 -10.680 -8.783 22.343 1.00 0.00 C ATOM 231 CG PRO A 13 -10.173 -8.682 20.942 1.00 0.00 C ATOM 232 CD PRO A 13 -11.368 -8.410 20.068 1.00 0.00 C ATOM 0 HA PRO A 13 -12.664 -8.196 23.066 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.916 -8.486 23.062 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.967 -9.806 22.587 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.438 -7.882 20.853 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.677 -9.605 20.643 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.112 -7.759 19.232 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.771 -9.330 19.644 1.00 0.00 H new ATOM 240 N ASP A 14 -11.393 -6.296 24.219 1.00 0.00 N ATOM 241 CA ASP A 14 -11.004 -4.951 24.798 1.00 0.00 C ATOM 242 C ASP A 14 -9.750 -4.378 24.106 1.00 0.00 C ATOM 243 O ASP A 14 -9.607 -3.176 23.988 1.00 0.00 O ATOM 244 CB ASP A 14 -10.714 -5.187 26.290 1.00 0.00 C ATOM 245 CG ASP A 14 -10.605 -3.839 27.007 1.00 0.00 C ATOM 246 OD1 ASP A 14 -9.568 -3.209 26.888 1.00 0.00 O ATOM 247 OD2 ASP A 14 -11.562 -3.461 27.663 1.00 0.00 O ATOM 0 H ASP A 14 -11.573 -7.027 24.907 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.807 -4.229 24.648 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.509 -5.785 26.736 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.788 -5.749 26.407 1.00 0.00 H new ATOM 252 N GLY A 15 -8.841 -5.218 23.648 1.00 0.00 N ATOM 253 CA GLY A 15 -7.607 -4.707 22.967 1.00 0.00 C ATOM 254 C GLY A 15 -7.977 -3.712 21.849 1.00 0.00 C ATOM 255 O GLY A 15 -7.270 -2.748 21.624 1.00 0.00 O ATOM 0 H GLY A 15 -8.904 -6.234 23.718 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.959 -4.220 23.695 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.045 -5.541 22.547 1.00 0.00 H new ATOM 259 N PHE A 16 -9.076 -3.930 21.147 1.00 0.00 N ATOM 260 CA PHE A 16 -9.462 -2.967 20.048 1.00 0.00 C ATOM 261 C PHE A 16 -9.600 -1.539 20.604 1.00 0.00 C ATOM 262 O PHE A 16 -9.303 -0.579 19.917 1.00 0.00 O ATOM 263 CB PHE A 16 -10.812 -3.442 19.485 1.00 0.00 C ATOM 264 CG PHE A 16 -11.148 -2.644 18.245 1.00 0.00 C ATOM 265 CD1 PHE A 16 -10.221 -2.540 17.199 1.00 0.00 C ATOM 266 CD2 PHE A 16 -12.392 -2.006 18.142 1.00 0.00 C ATOM 267 CE1 PHE A 16 -10.535 -1.800 16.055 1.00 0.00 C ATOM 268 CE2 PHE A 16 -12.705 -1.265 16.995 1.00 0.00 C ATOM 269 CZ PHE A 16 -11.777 -1.163 15.952 1.00 0.00 C ATOM 0 H PHE A 16 -9.711 -4.716 21.283 1.00 0.00 H new ATOM 0 HA PHE A 16 -8.697 -2.948 19.272 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -10.765 -4.504 19.246 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -11.595 -3.318 20.234 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.263 -3.032 17.277 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -13.108 -2.086 18.946 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.819 -1.720 15.251 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -13.663 -0.772 16.915 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.019 -0.593 15.068 1.00 0.00 H new ATOM 279 N GLU A 17 -10.044 -1.381 21.838 1.00 0.00 N ATOM 280 CA GLU A 17 -10.187 0.010 22.413 1.00 0.00 C ATOM 281 C GLU A 17 -8.860 0.777 22.282 1.00 0.00 C ATOM 282 O GLU A 17 -8.851 1.958 21.990 1.00 0.00 O ATOM 283 CB GLU A 17 -10.553 -0.159 23.897 1.00 0.00 C ATOM 284 CG GLU A 17 -11.061 1.173 24.453 1.00 0.00 C ATOM 285 CD GLU A 17 -12.065 0.908 25.576 1.00 0.00 C ATOM 286 OE1 GLU A 17 -13.187 0.542 25.267 1.00 0.00 O ATOM 287 OE2 GLU A 17 -11.695 1.076 26.726 1.00 0.00 O ATOM 0 H GLU A 17 -10.310 -2.141 22.464 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.952 0.575 21.881 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.318 -0.927 24.008 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.682 -0.492 24.462 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.226 1.764 24.829 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.531 1.754 23.660 1.00 0.00 H new ATOM 294 N LYS A 18 -7.742 0.113 22.485 1.00 0.00 N ATOM 295 CA LYS A 18 -6.419 0.824 22.355 1.00 0.00 C ATOM 296 C LYS A 18 -6.251 1.370 20.927 1.00 0.00 C ATOM 297 O LYS A 18 -5.706 2.440 20.735 1.00 0.00 O ATOM 298 CB LYS A 18 -5.324 -0.212 22.658 1.00 0.00 C ATOM 299 CG LYS A 18 -5.450 -0.679 24.110 1.00 0.00 C ATOM 300 CD LYS A 18 -4.154 -1.372 24.537 1.00 0.00 C ATOM 301 CE LYS A 18 -4.267 -1.808 26.000 1.00 0.00 C ATOM 302 NZ LYS A 18 -2.871 -2.123 26.415 1.00 0.00 N ATOM 0 H LYS A 18 -7.685 -0.875 22.731 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.359 1.667 23.043 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.416 -1.062 21.982 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.339 0.224 22.489 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.651 0.172 24.761 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.292 -1.364 24.211 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.966 -2.238 23.902 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.309 -0.695 24.412 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.693 -1.016 26.616 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.916 -2.678 26.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.865 -2.430 27.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.494 -2.884 25.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.278 -1.275 26.311 1.00 0.00 H new ATOM 316 N ILE A 19 -6.717 0.650 19.925 1.00 0.00 N ATOM 317 CA ILE A 19 -6.577 1.151 18.518 1.00 0.00 C ATOM 318 C ILE A 19 -7.962 1.456 17.905 1.00 0.00 C ATOM 319 O ILE A 19 -8.167 1.270 16.720 1.00 0.00 O ATOM 320 CB ILE A 19 -5.866 0.023 17.743 1.00 0.00 C ATOM 321 CG1 ILE A 19 -6.736 -1.250 17.711 1.00 0.00 C ATOM 322 CG2 ILE A 19 -4.528 -0.298 18.419 1.00 0.00 C ATOM 323 CD1 ILE A 19 -6.736 -1.851 16.300 1.00 0.00 C ATOM 0 H ILE A 19 -7.183 -0.252 20.022 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.010 2.081 18.477 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.697 0.359 16.720 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.354 -1.979 18.426 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.756 -1.011 18.013 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.026 -1.095 17.871 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.899 0.592 18.422 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.707 -0.620 19.445 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.353 -2.750 16.287 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.139 -1.124 15.595 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.716 -2.107 16.014 1.00 0.00 H new ATOM 335 N LYS A 20 -8.915 1.908 18.698 1.00 0.00 N ATOM 336 CA LYS A 20 -10.285 2.201 18.136 1.00 0.00 C ATOM 337 C LYS A 20 -10.385 3.606 17.498 1.00 0.00 C ATOM 338 O LYS A 20 -10.947 3.733 16.428 1.00 0.00 O ATOM 339 CB LYS A 20 -11.266 2.086 19.312 1.00 0.00 C ATOM 340 CG LYS A 20 -12.639 1.656 18.791 1.00 0.00 C ATOM 341 CD LYS A 20 -13.469 2.896 18.455 1.00 0.00 C ATOM 342 CE LYS A 20 -14.389 2.592 17.269 1.00 0.00 C ATOM 343 NZ LYS A 20 -15.684 2.188 17.883 1.00 0.00 N ATOM 0 H LYS A 20 -8.807 2.085 19.697 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.510 1.496 17.336 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.897 1.361 20.038 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.345 3.042 19.829 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.524 1.031 17.905 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -13.152 1.054 19.541 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.061 3.195 19.320 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.812 3.732 18.214 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.511 3.466 16.629 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.981 1.796 16.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.369 1.963 17.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.538 1.350 18.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.051 2.968 18.464 1.00 0.00 H new ATOM 357 N PRO A 21 -9.876 4.629 18.163 1.00 0.00 N ATOM 358 CA PRO A 21 -9.982 6.001 17.604 1.00 0.00 C ATOM 359 C PRO A 21 -8.967 6.227 16.472 1.00 0.00 C ATOM 360 O PRO A 21 -9.266 6.907 15.507 1.00 0.00 O ATOM 361 CB PRO A 21 -9.683 6.903 18.796 1.00 0.00 C ATOM 362 CG PRO A 21 -8.860 6.073 19.729 1.00 0.00 C ATOM 363 CD PRO A 21 -9.170 4.622 19.453 1.00 0.00 C ATOM 0 HA PRO A 21 -10.958 6.196 17.160 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.142 7.797 18.486 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.603 7.237 19.276 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.798 6.271 19.581 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.090 6.322 20.765 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.259 4.025 19.403 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.789 4.193 20.241 1.00 0.00 H new ATOM 371 N THR A 22 -7.774 5.674 16.568 1.00 0.00 N ATOM 372 CA THR A 22 -6.767 5.889 15.463 1.00 0.00 C ATOM 373 C THR A 22 -7.332 5.370 14.133 1.00 0.00 C ATOM 374 O THR A 22 -7.202 6.015 13.109 1.00 0.00 O ATOM 375 CB THR A 22 -5.500 5.104 15.850 1.00 0.00 C ATOM 376 OG1 THR A 22 -5.027 5.565 17.107 1.00 0.00 O ATOM 377 CG2 THR A 22 -4.417 5.316 14.786 1.00 0.00 C ATOM 0 H THR A 22 -7.456 5.095 17.345 1.00 0.00 H new ATOM 0 HA THR A 22 -6.540 6.948 15.338 1.00 0.00 H new ATOM 0 HB THR A 22 -5.737 4.042 15.916 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.221 5.066 17.357 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.522 4.759 15.062 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.781 4.962 13.821 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.178 6.377 14.717 1.00 0.00 H new ATOM 385 N LEU A 23 -7.968 4.220 14.141 1.00 0.00 N ATOM 386 CA LEU A 23 -8.549 3.687 12.859 1.00 0.00 C ATOM 387 C LEU A 23 -9.685 4.608 12.390 1.00 0.00 C ATOM 388 O LEU A 23 -9.812 4.885 11.212 1.00 0.00 O ATOM 389 CB LEU A 23 -9.083 2.277 13.160 1.00 0.00 C ATOM 390 CG LEU A 23 -7.910 1.345 13.479 1.00 0.00 C ATOM 391 CD1 LEU A 23 -8.446 -0.031 13.871 1.00 0.00 C ATOM 392 CD2 LEU A 23 -7.013 1.205 12.246 1.00 0.00 C ATOM 0 H LEU A 23 -8.110 3.634 14.964 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.801 3.648 12.067 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.774 2.310 14.002 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.641 1.897 12.304 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.332 1.763 14.303 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.612 -0.695 14.098 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.084 0.064 14.750 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.025 -0.445 13.045 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.179 0.541 12.476 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.591 0.789 11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.629 2.185 11.962 1.00 0.00 H new ATOM 404 N THR A 24 -10.506 5.101 13.301 1.00 0.00 N ATOM 405 CA THR A 24 -11.620 6.025 12.875 1.00 0.00 C ATOM 406 C THR A 24 -11.040 7.250 12.143 1.00 0.00 C ATOM 407 O THR A 24 -11.643 7.761 11.218 1.00 0.00 O ATOM 408 CB THR A 24 -12.346 6.469 14.155 1.00 0.00 C ATOM 409 OG1 THR A 24 -12.392 5.384 15.071 1.00 0.00 O ATOM 410 CG2 THR A 24 -13.770 6.908 13.809 1.00 0.00 C ATOM 0 H THR A 24 -10.455 4.908 14.301 1.00 0.00 H new ATOM 0 HA THR A 24 -12.305 5.522 12.193 1.00 0.00 H new ATOM 0 HB THR A 24 -11.811 7.304 14.607 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.545 5.335 15.562 1.00 0.00 H new ATOM 0 HG21 THR A 24 -14.284 7.223 14.717 1.00 0.00 H new ATOM 0 HG22 THR A 24 -13.734 7.740 13.106 1.00 0.00 H new ATOM 0 HG23 THR A 24 -14.308 6.075 13.357 1.00 0.00 H new ATOM 418 N ASP A 25 -9.872 7.724 12.539 1.00 0.00 N ATOM 419 CA ASP A 25 -9.270 8.919 11.837 1.00 0.00 C ATOM 420 C ASP A 25 -9.142 8.644 10.326 1.00 0.00 C ATOM 421 O ASP A 25 -9.304 9.540 9.518 1.00 0.00 O ATOM 422 CB ASP A 25 -7.877 9.135 12.450 1.00 0.00 C ATOM 423 CG ASP A 25 -7.245 10.394 11.853 1.00 0.00 C ATOM 424 OD1 ASP A 25 -6.683 10.295 10.774 1.00 0.00 O ATOM 425 OD2 ASP A 25 -7.336 11.435 12.483 1.00 0.00 O ATOM 0 H ASP A 25 -9.317 7.343 13.305 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.899 9.801 11.962 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.956 9.234 13.533 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.244 8.270 12.254 1.00 0.00 H new ATOM 430 N PHE A 26 -8.852 7.416 9.932 1.00 0.00 N ATOM 431 CA PHE A 26 -8.719 7.114 8.459 1.00 0.00 C ATOM 432 C PHE A 26 -10.014 7.479 7.716 1.00 0.00 C ATOM 433 O PHE A 26 -9.973 7.986 6.610 1.00 0.00 O ATOM 434 CB PHE A 26 -8.466 5.604 8.339 1.00 0.00 C ATOM 435 CG PHE A 26 -6.986 5.334 8.415 1.00 0.00 C ATOM 436 CD1 PHE A 26 -6.344 5.295 9.658 1.00 0.00 C ATOM 437 CD2 PHE A 26 -6.254 5.124 7.240 1.00 0.00 C ATOM 438 CE1 PHE A 26 -4.969 5.046 9.728 1.00 0.00 C ATOM 439 CE2 PHE A 26 -4.880 4.876 7.310 1.00 0.00 C ATOM 440 CZ PHE A 26 -4.237 4.837 8.553 1.00 0.00 C ATOM 0 H PHE A 26 -8.704 6.622 10.555 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.907 7.693 8.020 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.985 5.073 9.137 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.866 5.231 7.396 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.910 5.457 10.563 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.750 5.154 6.281 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.473 5.015 10.687 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.314 4.714 6.404 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.175 4.646 8.606 1.00 0.00 H new ATOM 450 N GLU A 27 -11.163 7.216 8.305 1.00 0.00 N ATOM 451 CA GLU A 27 -12.454 7.549 7.599 1.00 0.00 C ATOM 452 C GLU A 27 -12.547 9.053 7.301 1.00 0.00 C ATOM 453 O GLU A 27 -13.090 9.444 6.284 1.00 0.00 O ATOM 454 CB GLU A 27 -13.595 7.124 8.538 1.00 0.00 C ATOM 455 CG GLU A 27 -13.634 5.598 8.640 1.00 0.00 C ATOM 456 CD GLU A 27 -15.085 5.129 8.769 1.00 0.00 C ATOM 457 OE1 GLU A 27 -15.725 4.961 7.744 1.00 0.00 O ATOM 458 OE2 GLU A 27 -15.530 4.947 9.890 1.00 0.00 O ATOM 0 H GLU A 27 -11.265 6.793 9.227 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.511 7.028 6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.449 7.561 9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.547 7.498 8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.174 5.153 7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.056 5.266 9.502 1.00 0.00 H new ATOM 465 N ILE A 28 -12.024 9.902 8.160 1.00 0.00 N ATOM 466 CA ILE A 28 -12.104 11.379 7.875 1.00 0.00 C ATOM 467 C ILE A 28 -11.152 11.725 6.714 1.00 0.00 C ATOM 468 O ILE A 28 -11.496 12.513 5.852 1.00 0.00 O ATOM 469 CB ILE A 28 -11.717 12.114 9.182 1.00 0.00 C ATOM 470 CG1 ILE A 28 -12.847 11.945 10.206 1.00 0.00 C ATOM 471 CG2 ILE A 28 -11.522 13.612 8.910 1.00 0.00 C ATOM 472 CD1 ILE A 28 -12.554 10.754 11.119 1.00 0.00 C ATOM 0 H ILE A 28 -11.554 9.646 9.029 1.00 0.00 H new ATOM 0 HA ILE A 28 -13.105 11.685 7.571 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.788 11.691 9.564 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.948 12.853 10.801 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -13.796 11.794 9.691 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.250 14.118 9.837 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.728 13.748 8.176 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.449 14.035 8.524 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -13.362 10.643 11.842 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -12.476 9.847 10.520 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.615 10.922 11.647 1.00 0.00 H new ATOM 484 N GLN A 29 -9.975 11.133 6.666 1.00 0.00 N ATOM 485 CA GLN A 29 -9.044 11.440 5.522 1.00 0.00 C ATOM 486 C GLN A 29 -9.614 10.817 4.243 1.00 0.00 C ATOM 487 O GLN A 29 -9.652 11.453 3.206 1.00 0.00 O ATOM 488 CB GLN A 29 -7.682 10.819 5.868 1.00 0.00 C ATOM 489 CG GLN A 29 -6.591 11.465 5.011 1.00 0.00 C ATOM 490 CD GLN A 29 -6.034 12.697 5.735 1.00 0.00 C ATOM 491 OE1 GLN A 29 -6.785 13.562 6.144 1.00 0.00 O ATOM 492 NE2 GLN A 29 -4.741 12.822 5.914 1.00 0.00 N ATOM 0 H GLN A 29 -9.624 10.465 7.352 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.935 12.513 5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.462 10.965 6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.706 9.743 5.693 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.791 10.749 4.821 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.998 11.753 4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.107 12.100 5.573 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.370 13.642 6.394 1.00 0.00 H new ATOM 501 N LEU A 30 -10.092 9.589 4.312 1.00 0.00 N ATOM 502 CA LEU A 30 -10.695 8.961 3.083 1.00 0.00 C ATOM 503 C LEU A 30 -11.981 9.724 2.710 1.00 0.00 C ATOM 504 O LEU A 30 -12.289 9.885 1.545 1.00 0.00 O ATOM 505 CB LEU A 30 -11.019 7.494 3.432 1.00 0.00 C ATOM 506 CG LEU A 30 -10.568 6.575 2.285 1.00 0.00 C ATOM 507 CD1 LEU A 30 -9.824 5.362 2.856 1.00 0.00 C ATOM 508 CD2 LEU A 30 -11.792 6.100 1.497 1.00 0.00 C ATOM 0 H LEU A 30 -10.091 9.005 5.148 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.012 9.002 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.516 7.211 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.089 7.379 3.603 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.902 7.127 1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.506 4.713 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.950 5.700 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.487 4.809 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.471 5.449 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.461 5.551 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.317 6.962 1.085 1.00 0.00 H new ATOM 520 N ARG A 31 -12.731 10.207 3.689 1.00 0.00 N ATOM 521 CA ARG A 31 -13.991 10.972 3.361 1.00 0.00 C ATOM 522 C ARG A 31 -13.656 12.176 2.468 1.00 0.00 C ATOM 523 O ARG A 31 -14.384 12.479 1.541 1.00 0.00 O ATOM 524 CB ARG A 31 -14.569 11.471 4.696 1.00 0.00 C ATOM 525 CG ARG A 31 -15.469 10.395 5.312 1.00 0.00 C ATOM 526 CD ARG A 31 -15.624 10.652 6.819 1.00 0.00 C ATOM 527 NE ARG A 31 -17.075 10.954 7.015 1.00 0.00 N ATOM 528 CZ ARG A 31 -17.997 10.011 6.892 1.00 0.00 C ATOM 529 NH1 ARG A 31 -17.673 8.771 6.599 1.00 0.00 N ATOM 530 NH2 ARG A 31 -19.258 10.313 7.065 1.00 0.00 N ATOM 0 H ARG A 31 -12.529 10.106 4.684 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.703 10.339 2.831 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.759 11.717 5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.139 12.386 4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -16.446 10.404 4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.039 9.407 5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.320 9.782 7.401 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.001 11.485 7.143 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.361 11.905 7.248 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.694 8.519 6.461 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -18.400 8.061 6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -19.527 11.270 7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.973 9.591 6.972 1.00 0.00 H new ATOM 544 N ASP A 32 -12.566 12.870 2.738 1.00 0.00 N ATOM 545 CA ASP A 32 -12.217 14.058 1.880 1.00 0.00 C ATOM 546 C ASP A 32 -11.954 13.601 0.442 1.00 0.00 C ATOM 547 O ASP A 32 -12.460 14.189 -0.495 1.00 0.00 O ATOM 548 CB ASP A 32 -10.952 14.693 2.481 1.00 0.00 C ATOM 549 CG ASP A 32 -11.351 15.697 3.564 1.00 0.00 C ATOM 550 OD1 ASP A 32 -11.926 15.274 4.553 1.00 0.00 O ATOM 551 OD2 ASP A 32 -11.073 16.871 3.387 1.00 0.00 O ATOM 0 H ASP A 32 -11.916 12.671 3.498 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.034 14.780 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.310 13.920 2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.377 15.192 1.701 1.00 0.00 H new ATOM 556 N ALA A 33 -11.182 12.551 0.251 1.00 0.00 N ATOM 557 CA ALA A 33 -10.927 12.072 -1.152 1.00 0.00 C ATOM 558 C ALA A 33 -12.229 11.509 -1.738 1.00 0.00 C ATOM 559 O ALA A 33 -12.540 11.734 -2.892 1.00 0.00 O ATOM 560 CB ALA A 33 -9.867 10.966 -1.061 1.00 0.00 C ATOM 0 H ALA A 33 -10.726 12.015 0.989 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.582 12.882 -1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -9.650 10.587 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.956 11.371 -0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.241 10.153 -0.438 1.00 0.00 H new ATOM 566 N GLN A 34 -13.000 10.782 -0.950 1.00 0.00 N ATOM 567 CA GLN A 34 -14.288 10.216 -1.483 1.00 0.00 C ATOM 568 C GLN A 34 -15.214 11.350 -1.961 1.00 0.00 C ATOM 569 O GLN A 34 -15.937 11.187 -2.928 1.00 0.00 O ATOM 570 CB GLN A 34 -14.951 9.448 -0.327 1.00 0.00 C ATOM 571 CG GLN A 34 -14.354 8.042 -0.239 1.00 0.00 C ATOM 572 CD GLN A 34 -15.199 7.074 -1.076 1.00 0.00 C ATOM 573 OE1 GLN A 34 -14.724 6.530 -2.053 1.00 0.00 O ATOM 574 NE2 GLN A 34 -16.442 6.830 -0.736 1.00 0.00 N ATOM 0 H GLN A 34 -12.796 10.560 0.024 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.100 9.561 -2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.797 9.979 0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -16.028 9.388 -0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.325 8.049 -0.600 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.325 7.712 0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -16.845 7.284 0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -17.005 6.186 -1.291 1.00 0.00 H new ATOM 583 N LYS A 35 -15.209 12.495 -1.300 1.00 0.00 N ATOM 584 CA LYS A 35 -16.109 13.614 -1.750 1.00 0.00 C ATOM 585 C LYS A 35 -15.350 14.583 -2.670 1.00 0.00 C ATOM 586 O LYS A 35 -15.901 15.076 -3.638 1.00 0.00 O ATOM 587 CB LYS A 35 -16.567 14.332 -0.473 1.00 0.00 C ATOM 588 CG LYS A 35 -17.425 13.384 0.366 1.00 0.00 C ATOM 589 CD LYS A 35 -18.892 13.518 -0.052 1.00 0.00 C ATOM 590 CE LYS A 35 -19.698 12.358 0.535 1.00 0.00 C ATOM 591 NZ LYS A 35 -21.088 12.568 0.041 1.00 0.00 N ATOM 0 H LYS A 35 -14.631 12.698 -0.484 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.958 13.235 -2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.702 14.661 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.137 15.225 -0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.089 12.356 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.315 13.618 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.295 14.468 0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.973 13.518 -1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -19.303 11.397 0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.661 12.363 1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -21.703 11.811 0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.440 13.488 0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -21.093 12.552 -0.999 1.00 0.00 H new ATOM 605 N ASP A 36 -14.095 14.863 -2.387 1.00 0.00 N ATOM 606 CA ASP A 36 -13.319 15.809 -3.271 1.00 0.00 C ATOM 607 C ASP A 36 -13.309 15.291 -4.719 1.00 0.00 C ATOM 608 O ASP A 36 -13.411 16.063 -5.654 1.00 0.00 O ATOM 609 CB ASP A 36 -11.886 15.857 -2.719 1.00 0.00 C ATOM 610 CG ASP A 36 -11.068 16.881 -3.509 1.00 0.00 C ATOM 611 OD1 ASP A 36 -11.546 17.991 -3.674 1.00 0.00 O ATOM 612 OD2 ASP A 36 -9.978 16.537 -3.937 1.00 0.00 O ATOM 0 H ASP A 36 -13.577 14.485 -1.594 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.771 16.801 -3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.901 16.125 -1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.424 14.873 -2.792 1.00 0.00 H new ATOM 744 N SER A 45 -9.000 14.228 -10.057 1.00 0.00 N ATOM 745 CA SER A 45 -9.834 13.155 -9.428 1.00 0.00 C ATOM 746 C SER A 45 -9.004 11.878 -9.243 1.00 0.00 C ATOM 747 O SER A 45 -8.919 11.346 -8.152 1.00 0.00 O ATOM 748 CB SER A 45 -10.989 12.910 -10.402 1.00 0.00 C ATOM 749 OG SER A 45 -10.588 11.953 -11.374 1.00 0.00 O ATOM 0 HA SER A 45 -10.196 13.446 -8.442 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.866 12.552 -9.862 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.274 13.843 -10.889 1.00 0.00 H new ATOM 0 HG SER A 45 -11.326 11.792 -11.999 1.00 0.00 H new ATOM 755 N ASN A 46 -8.384 11.384 -10.294 1.00 0.00 N ATOM 756 CA ASN A 46 -7.550 10.133 -10.152 1.00 0.00 C ATOM 757 C ASN A 46 -6.464 10.344 -9.082 1.00 0.00 C ATOM 758 O ASN A 46 -6.168 9.448 -8.313 1.00 0.00 O ATOM 759 CB ASN A 46 -6.900 9.874 -11.521 1.00 0.00 C ATOM 760 CG ASN A 46 -7.951 9.320 -12.490 1.00 0.00 C ATOM 761 OD1 ASN A 46 -9.078 9.776 -12.500 1.00 0.00 O ATOM 762 ND2 ASN A 46 -7.636 8.351 -13.315 1.00 0.00 N ATOM 0 H ASN A 46 -8.416 11.783 -11.232 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.163 9.286 -9.844 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.478 10.798 -11.915 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.077 9.167 -11.417 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.335 7.984 -13.961 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.692 7.965 -13.311 1.00 0.00 H new ATOM 769 N GLU A 47 -5.871 11.522 -9.019 1.00 0.00 N ATOM 770 CA GLU A 47 -4.810 11.765 -7.977 1.00 0.00 C ATOM 771 C GLU A 47 -5.423 11.652 -6.575 1.00 0.00 C ATOM 772 O GLU A 47 -4.823 11.087 -5.679 1.00 0.00 O ATOM 773 CB GLU A 47 -4.273 13.187 -8.209 1.00 0.00 C ATOM 774 CG GLU A 47 -3.615 13.264 -9.589 1.00 0.00 C ATOM 775 CD GLU A 47 -2.535 14.346 -9.580 1.00 0.00 C ATOM 776 OE1 GLU A 47 -2.834 15.452 -9.160 1.00 0.00 O ATOM 777 OE2 GLU A 47 -1.426 14.051 -9.993 1.00 0.00 O ATOM 0 H GLU A 47 -6.071 12.312 -9.632 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.008 11.031 -8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.086 13.910 -8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.551 13.446 -7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.177 12.300 -9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.364 13.489 -10.348 1.00 0.00 H new ATOM 784 N GLN A 48 -6.616 12.180 -6.371 1.00 0.00 N ATOM 785 CA GLN A 48 -7.247 12.081 -5.006 1.00 0.00 C ATOM 786 C GLN A 48 -7.464 10.604 -4.639 1.00 0.00 C ATOM 787 O GLN A 48 -7.254 10.210 -3.507 1.00 0.00 O ATOM 788 CB GLN A 48 -8.597 12.813 -5.081 1.00 0.00 C ATOM 789 CG GLN A 48 -9.017 13.265 -3.680 1.00 0.00 C ATOM 790 CD GLN A 48 -8.012 14.292 -3.144 1.00 0.00 C ATOM 791 OE1 GLN A 48 -7.740 15.283 -3.792 1.00 0.00 O ATOM 792 NE2 GLN A 48 -7.441 14.101 -1.979 1.00 0.00 N ATOM 0 H GLN A 48 -7.170 12.666 -7.076 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.608 12.527 -4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.518 13.675 -5.743 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.356 12.155 -5.504 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -10.015 13.702 -3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.066 12.407 -3.010 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.666 13.271 -1.431 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.772 14.783 -1.621 1.00 0.00 H new ATOM 801 N LEU A 49 -7.880 9.780 -5.584 1.00 0.00 N ATOM 802 CA LEU A 49 -8.098 8.326 -5.255 1.00 0.00 C ATOM 803 C LEU A 49 -6.776 7.673 -4.828 1.00 0.00 C ATOM 804 O LEU A 49 -6.759 6.837 -3.943 1.00 0.00 O ATOM 805 CB LEU A 49 -8.636 7.650 -6.527 1.00 0.00 C ATOM 806 CG LEU A 49 -10.165 7.718 -6.538 1.00 0.00 C ATOM 807 CD1 LEU A 49 -10.691 7.134 -7.850 1.00 0.00 C ATOM 808 CD2 LEU A 49 -10.721 6.909 -5.363 1.00 0.00 C ATOM 0 H LEU A 49 -8.074 10.045 -6.550 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.803 8.218 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.234 8.144 -7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.308 6.611 -6.565 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.483 8.757 -6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.780 7.182 -7.859 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.296 7.708 -8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.373 6.095 -7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.810 6.957 -5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.403 5.870 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.346 7.323 -4.427 1.00 0.00 H new ATOM 820 N TRP A 50 -5.660 8.043 -5.435 1.00 0.00 N ATOM 821 CA TRP A 50 -4.345 7.420 -5.025 1.00 0.00 C ATOM 822 C TRP A 50 -4.141 7.588 -3.509 1.00 0.00 C ATOM 823 O TRP A 50 -3.677 6.684 -2.839 1.00 0.00 O ATOM 824 CB TRP A 50 -3.236 8.167 -5.792 1.00 0.00 C ATOM 825 CG TRP A 50 -3.381 7.982 -7.282 1.00 0.00 C ATOM 826 CD1 TRP A 50 -4.142 7.041 -7.904 1.00 0.00 C ATOM 827 CD2 TRP A 50 -2.743 8.748 -8.346 1.00 0.00 C ATOM 828 NE1 TRP A 50 -4.014 7.196 -9.275 1.00 0.00 N ATOM 829 CE2 TRP A 50 -3.165 8.234 -9.593 1.00 0.00 C ATOM 830 CE3 TRP A 50 -1.850 9.835 -8.346 1.00 0.00 C ATOM 831 CZ2 TRP A 50 -2.717 8.776 -10.797 1.00 0.00 C ATOM 832 CZ3 TRP A 50 -1.395 10.381 -9.557 1.00 0.00 C ATOM 833 CH2 TRP A 50 -1.830 9.852 -10.780 1.00 0.00 C ATOM 0 H TRP A 50 -5.602 8.735 -6.182 1.00 0.00 H new ATOM 0 HA TRP A 50 -4.326 6.355 -5.254 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -3.275 9.229 -5.550 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.260 7.803 -5.471 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.747 6.295 -7.410 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.490 6.614 -9.964 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -1.512 10.252 -7.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.055 8.365 -11.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.706 11.213 -9.546 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.479 10.277 -11.708 1.00 0.00 H new ATOM 844 N GLU A 51 -4.503 8.732 -2.959 1.00 0.00 N ATOM 845 CA GLU A 51 -4.338 8.929 -1.475 1.00 0.00 C ATOM 846 C GLU A 51 -5.228 7.929 -0.719 1.00 0.00 C ATOM 847 O GLU A 51 -4.832 7.401 0.304 1.00 0.00 O ATOM 848 CB GLU A 51 -4.777 10.370 -1.163 1.00 0.00 C ATOM 849 CG GLU A 51 -3.603 11.323 -1.392 1.00 0.00 C ATOM 850 CD GLU A 51 -3.729 12.521 -0.449 1.00 0.00 C ATOM 851 OE1 GLU A 51 -3.715 12.309 0.752 1.00 0.00 O ATOM 852 OE2 GLU A 51 -3.835 13.631 -0.945 1.00 0.00 O ATOM 0 H GLU A 51 -4.899 9.525 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.306 8.764 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.617 10.651 -1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.121 10.441 -0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.660 10.805 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.592 11.661 -2.428 1.00 0.00 H new ATOM 859 N ILE A 52 -6.424 7.656 -1.210 1.00 0.00 N ATOM 860 CA ILE A 52 -7.313 6.673 -0.493 1.00 0.00 C ATOM 861 C ILE A 52 -6.662 5.284 -0.531 1.00 0.00 C ATOM 862 O ILE A 52 -6.608 4.601 0.476 1.00 0.00 O ATOM 863 CB ILE A 52 -8.671 6.675 -1.224 1.00 0.00 C ATOM 864 CG1 ILE A 52 -9.321 8.049 -1.051 1.00 0.00 C ATOM 865 CG2 ILE A 52 -9.592 5.605 -0.623 1.00 0.00 C ATOM 866 CD1 ILE A 52 -10.634 8.123 -1.836 1.00 0.00 C ATOM 0 H ILE A 52 -6.816 8.063 -2.059 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.457 6.943 0.553 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.515 6.460 -2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.511 8.238 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.640 8.826 -1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.549 5.613 -1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.129 4.624 -0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.754 5.816 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.083 9.107 -1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.435 7.956 -2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.320 7.358 -1.471 1.00 0.00 H new ATOM 878 N MET A 53 -6.148 4.859 -1.672 1.00 0.00 N ATOM 879 CA MET A 53 -5.489 3.511 -1.713 1.00 0.00 C ATOM 880 C MET A 53 -4.185 3.541 -0.880 1.00 0.00 C ATOM 881 O MET A 53 -3.803 2.545 -0.294 1.00 0.00 O ATOM 882 CB MET A 53 -5.261 3.147 -3.212 1.00 0.00 C ATOM 883 CG MET A 53 -3.961 3.745 -3.789 1.00 0.00 C ATOM 884 SD MET A 53 -2.907 2.403 -4.386 1.00 0.00 S ATOM 885 CE MET A 53 -3.985 1.908 -5.752 1.00 0.00 C ATOM 0 H MET A 53 -6.157 5.375 -2.552 1.00 0.00 H new ATOM 0 HA MET A 53 -6.111 2.737 -1.265 1.00 0.00 H new ATOM 0 HB2 MET A 53 -5.232 2.062 -3.316 1.00 0.00 H new ATOM 0 HB3 MET A 53 -6.109 3.501 -3.799 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.192 4.432 -4.603 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.440 4.321 -3.024 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.454 1.210 -6.400 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.878 1.426 -5.354 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.273 2.789 -6.326 1.00 0.00 H new ATOM 895 N GLN A 54 -3.511 4.681 -0.797 1.00 0.00 N ATOM 896 CA GLN A 54 -2.257 4.745 0.031 1.00 0.00 C ATOM 897 C GLN A 54 -2.624 4.579 1.513 1.00 0.00 C ATOM 898 O GLN A 54 -1.911 3.934 2.258 1.00 0.00 O ATOM 899 CB GLN A 54 -1.628 6.127 -0.213 1.00 0.00 C ATOM 900 CG GLN A 54 -0.819 6.098 -1.512 1.00 0.00 C ATOM 901 CD GLN A 54 -0.504 7.532 -1.952 1.00 0.00 C ATOM 902 OE1 GLN A 54 -1.389 8.260 -2.357 1.00 0.00 O ATOM 903 NE2 GLN A 54 0.727 7.979 -1.891 1.00 0.00 N ATOM 0 H GLN A 54 -3.774 5.551 -1.260 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.556 3.955 -0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.407 6.887 -0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.983 6.398 0.623 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.106 5.540 -1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.381 5.583 -2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.474 7.372 -1.552 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.938 8.933 -2.183 1.00 0.00 H new ATOM 912 N LEU A 55 -3.745 5.137 1.950 1.00 0.00 N ATOM 913 CA LEU A 55 -4.150 4.974 3.396 1.00 0.00 C ATOM 914 C LEU A 55 -4.144 3.480 3.778 1.00 0.00 C ATOM 915 O LEU A 55 -3.844 3.129 4.902 1.00 0.00 O ATOM 916 CB LEU A 55 -5.576 5.542 3.528 1.00 0.00 C ATOM 917 CG LEU A 55 -5.510 7.045 3.808 1.00 0.00 C ATOM 918 CD1 LEU A 55 -6.897 7.664 3.607 1.00 0.00 C ATOM 919 CD2 LEU A 55 -5.056 7.278 5.252 1.00 0.00 C ATOM 0 H LEU A 55 -4.385 5.688 1.378 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.458 5.495 4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.137 5.357 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.106 5.035 4.334 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.800 7.509 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.850 8.735 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.223 7.500 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.606 7.198 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.009 8.349 5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.766 6.813 5.936 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.069 6.838 5.399 1.00 0.00 H new ATOM 931 N HIS A 56 -4.457 2.591 2.845 1.00 0.00 N ATOM 932 CA HIS A 56 -4.439 1.122 3.180 1.00 0.00 C ATOM 933 C HIS A 56 -3.044 0.734 3.702 1.00 0.00 C ATOM 934 O HIS A 56 -2.923 -0.017 4.652 1.00 0.00 O ATOM 935 CB HIS A 56 -4.756 0.373 1.877 1.00 0.00 C ATOM 936 CG HIS A 56 -5.437 -0.928 2.196 1.00 0.00 C ATOM 937 ND1 HIS A 56 -6.625 -0.983 2.909 1.00 0.00 N ATOM 938 CD2 HIS A 56 -5.118 -2.228 1.899 1.00 0.00 C ATOM 939 CE1 HIS A 56 -6.974 -2.277 3.015 1.00 0.00 C ATOM 940 NE2 HIS A 56 -6.090 -3.078 2.416 1.00 0.00 N ATOM 0 H HIS A 56 -4.719 2.817 1.885 1.00 0.00 H new ATOM 0 HA HIS A 56 -5.166 0.873 3.953 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.397 0.984 1.241 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.838 0.187 1.320 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -7.140 -0.187 3.285 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.245 -2.544 1.348 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.861 -2.626 3.523 1.00 0.00 H new ATOM 948 N HIS A 57 -1.986 1.260 3.106 1.00 0.00 N ATOM 949 CA HIS A 57 -0.603 0.927 3.612 1.00 0.00 C ATOM 950 C HIS A 57 -0.477 1.386 5.070 1.00 0.00 C ATOM 951 O HIS A 57 -0.056 0.632 5.925 1.00 0.00 O ATOM 952 CB HIS A 57 0.398 1.702 2.739 1.00 0.00 C ATOM 953 CG HIS A 57 0.806 0.871 1.555 1.00 0.00 C ATOM 954 ND1 HIS A 57 1.864 1.232 0.735 1.00 0.00 N ATOM 955 CD2 HIS A 57 0.320 -0.307 1.041 1.00 0.00 C ATOM 956 CE1 HIS A 57 1.981 0.292 -0.217 1.00 0.00 C ATOM 957 NE2 HIS A 57 1.065 -0.671 -0.078 1.00 0.00 N ATOM 0 H HIS A 57 -2.019 1.893 2.307 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.412 -0.145 3.562 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.051 2.636 2.400 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.277 1.966 3.327 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.448 2.062 0.836 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.512 -0.865 1.443 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.725 0.312 -1.000 1.00 0.00 H new ATOM 965 N GLN A 58 -0.855 2.617 5.365 1.00 0.00 N ATOM 966 CA GLN A 58 -0.763 3.103 6.789 1.00 0.00 C ATOM 967 C GLN A 58 -1.627 2.207 7.690 1.00 0.00 C ATOM 968 O GLN A 58 -1.234 1.874 8.793 1.00 0.00 O ATOM 969 CB GLN A 58 -1.294 4.546 6.804 1.00 0.00 C ATOM 970 CG GLN A 58 -0.814 5.254 8.072 1.00 0.00 C ATOM 971 CD GLN A 58 -1.375 6.682 8.106 1.00 0.00 C ATOM 972 OE1 GLN A 58 -1.192 7.435 7.171 1.00 0.00 O ATOM 973 NE2 GLN A 58 -2.057 7.093 9.147 1.00 0.00 N ATOM 0 H GLN A 58 -1.217 3.295 4.694 1.00 0.00 H new ATOM 0 HA GLN A 58 0.262 3.068 7.158 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.945 5.082 5.921 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.383 4.544 6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.140 4.703 8.954 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.275 5.279 8.097 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.213 6.464 9.935 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.431 8.042 9.169 1.00 0.00 H new ATOM 982 N ARG A 59 -2.796 1.795 7.227 1.00 0.00 N ATOM 983 CA ARG A 59 -3.655 0.896 8.078 1.00 0.00 C ATOM 984 C ARG A 59 -2.905 -0.419 8.327 1.00 0.00 C ATOM 985 O ARG A 59 -2.798 -0.870 9.453 1.00 0.00 O ATOM 986 CB ARG A 59 -4.955 0.633 7.298 1.00 0.00 C ATOM 987 CG ARG A 59 -6.132 0.582 8.275 1.00 0.00 C ATOM 988 CD ARG A 59 -6.558 2.006 8.638 1.00 0.00 C ATOM 989 NE ARG A 59 -8.045 1.944 8.768 1.00 0.00 N ATOM 990 CZ ARG A 59 -8.823 1.775 7.708 1.00 0.00 C ATOM 991 NH1 ARG A 59 -8.318 1.653 6.501 1.00 0.00 N ATOM 992 NH2 ARG A 59 -10.120 1.727 7.860 1.00 0.00 N ATOM 0 H ARG A 59 -3.184 2.038 6.315 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.882 1.353 9.041 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.115 1.419 6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.881 -0.307 6.752 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.967 0.045 7.826 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.848 0.036 9.175 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.094 2.332 9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.259 2.716 7.867 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.470 2.033 9.691 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.308 1.688 6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.936 1.524 5.700 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.528 1.819 8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.724 1.597 7.048 1.00 0.00 H new ATOM 1006 N SER A 60 -2.357 -1.028 7.290 1.00 0.00 N ATOM 1007 CA SER A 60 -1.590 -2.301 7.504 1.00 0.00 C ATOM 1008 C SER A 60 -0.328 -1.984 8.312 1.00 0.00 C ATOM 1009 O SER A 60 0.030 -2.722 9.200 1.00 0.00 O ATOM 1010 CB SER A 60 -1.217 -2.844 6.116 1.00 0.00 C ATOM 1011 OG SER A 60 -0.670 -1.792 5.332 1.00 0.00 O ATOM 0 H SER A 60 -2.408 -0.703 6.324 1.00 0.00 H new ATOM 0 HA SER A 60 -2.176 -3.040 8.050 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.495 -3.655 6.212 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.098 -3.258 5.626 1.00 0.00 H new ATOM 0 HG SER A 60 -0.684 -0.959 5.848 1.00 0.00 H new ATOM 1017 N ARG A 61 0.341 -0.883 8.029 1.00 0.00 N ATOM 1018 CA ARG A 61 1.571 -0.539 8.828 1.00 0.00 C ATOM 1019 C ARG A 61 1.178 -0.309 10.299 1.00 0.00 C ATOM 1020 O ARG A 61 1.905 -0.687 11.200 1.00 0.00 O ATOM 1021 CB ARG A 61 2.150 0.752 8.225 1.00 0.00 C ATOM 1022 CG ARG A 61 3.531 1.023 8.825 1.00 0.00 C ATOM 1023 CD ARG A 61 3.958 2.454 8.496 1.00 0.00 C ATOM 1024 NE ARG A 61 5.438 2.379 8.293 1.00 0.00 N ATOM 1025 CZ ARG A 61 5.955 1.861 7.190 1.00 0.00 C ATOM 1026 NH1 ARG A 61 5.191 1.390 6.231 1.00 0.00 N ATOM 1027 NH2 ARG A 61 7.254 1.813 7.046 1.00 0.00 N ATOM 0 H ARG A 61 0.095 -0.220 7.294 1.00 0.00 H new ATOM 0 HA ARG A 61 2.306 -1.343 8.793 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.225 0.658 7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.484 1.591 8.427 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.505 0.879 9.905 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.258 0.315 8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.455 2.820 7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.705 3.138 9.306 1.00 0.00 H new ATOM 0 HE ARG A 61 6.061 2.734 9.019 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.176 1.419 6.327 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.613 0.996 5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.862 2.173 7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.659 1.415 6.199 1.00 0.00 H new ATOM 1041 N TYR A 62 0.031 0.298 10.555 1.00 0.00 N ATOM 1042 CA TYR A 62 -0.390 0.526 11.985 1.00 0.00 C ATOM 1043 C TYR A 62 -0.537 -0.831 12.694 1.00 0.00 C ATOM 1044 O TYR A 62 0.026 -1.043 13.754 1.00 0.00 O ATOM 1045 CB TYR A 62 -1.746 1.260 11.930 1.00 0.00 C ATOM 1046 CG TYR A 62 -2.269 1.486 13.329 1.00 0.00 C ATOM 1047 CD1 TYR A 62 -2.991 0.476 13.974 1.00 0.00 C ATOM 1048 CD2 TYR A 62 -2.029 2.702 13.981 1.00 0.00 C ATOM 1049 CE1 TYR A 62 -3.475 0.680 15.268 1.00 0.00 C ATOM 1050 CE2 TYR A 62 -2.515 2.907 15.279 1.00 0.00 C ATOM 1051 CZ TYR A 62 -3.238 1.895 15.922 1.00 0.00 C ATOM 1052 OH TYR A 62 -3.717 2.095 17.201 1.00 0.00 O ATOM 0 H TYR A 62 -0.620 0.639 9.848 1.00 0.00 H new ATOM 0 HA TYR A 62 0.343 1.114 12.537 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.631 2.215 11.417 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.463 0.674 11.355 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.174 -0.462 13.471 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.470 3.481 13.484 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.033 -0.100 15.765 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.332 3.845 15.783 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.967 2.271 17.807 1.00 0.00 H new ATOM 1062 N ILE A 63 -1.270 -1.759 12.110 1.00 0.00 N ATOM 1063 CA ILE A 63 -1.417 -3.106 12.767 1.00 0.00 C ATOM 1064 C ILE A 63 -0.097 -3.881 12.613 1.00 0.00 C ATOM 1065 O ILE A 63 0.371 -4.510 13.542 1.00 0.00 O ATOM 1066 CB ILE A 63 -2.568 -3.828 12.044 1.00 0.00 C ATOM 1067 CG1 ILE A 63 -3.864 -3.031 12.234 1.00 0.00 C ATOM 1068 CG2 ILE A 63 -2.747 -5.229 12.631 1.00 0.00 C ATOM 1069 CD1 ILE A 63 -4.987 -3.668 11.412 1.00 0.00 C ATOM 0 H ILE A 63 -1.764 -1.646 11.225 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.637 -3.023 13.831 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.335 -3.907 10.982 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.139 -3.011 13.289 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.715 -1.997 11.924 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.563 -5.737 12.117 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.826 -5.798 12.502 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.980 -5.151 13.693 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.906 -3.099 11.550 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.713 -3.665 10.357 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.143 -4.695 11.743 1.00 0.00 H new ATOM 1081 N TYR A 64 0.517 -3.820 11.448 1.00 0.00 N ATOM 1082 CA TYR A 64 1.825 -4.538 11.244 1.00 0.00 C ATOM 1083 C TYR A 64 2.865 -4.050 12.267 1.00 0.00 C ATOM 1084 O TYR A 64 3.712 -4.807 12.691 1.00 0.00 O ATOM 1085 CB TYR A 64 2.296 -4.192 9.820 1.00 0.00 C ATOM 1086 CG TYR A 64 3.479 -5.047 9.448 1.00 0.00 C ATOM 1087 CD1 TYR A 64 3.317 -6.426 9.305 1.00 0.00 C ATOM 1088 CD2 TYR A 64 4.734 -4.464 9.238 1.00 0.00 C ATOM 1089 CE1 TYR A 64 4.404 -7.226 8.951 1.00 0.00 C ATOM 1090 CE2 TYR A 64 5.826 -5.264 8.881 1.00 0.00 C ATOM 1091 CZ TYR A 64 5.660 -6.647 8.738 1.00 0.00 C ATOM 1092 OH TYR A 64 6.735 -7.438 8.387 1.00 0.00 O ATOM 0 H TYR A 64 0.172 -3.308 10.636 1.00 0.00 H new ATOM 0 HA TYR A 64 1.705 -5.613 11.376 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.484 -4.351 9.111 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.566 -3.138 9.763 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.348 -6.875 9.469 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.860 -3.397 9.351 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.276 -8.293 8.841 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.794 -4.815 8.716 1.00 0.00 H new ATOM 0 HH TYR A 64 7.531 -6.877 8.276 1.00 0.00 H new ATOM 1102 N THR A 65 2.815 -2.795 12.671 1.00 0.00 N ATOM 1103 CA THR A 65 3.823 -2.300 13.670 1.00 0.00 C ATOM 1104 C THR A 65 3.416 -2.707 15.096 1.00 0.00 C ATOM 1105 O THR A 65 4.263 -3.015 15.911 1.00 0.00 O ATOM 1106 CB THR A 65 3.853 -0.768 13.541 1.00 0.00 C ATOM 1107 OG1 THR A 65 4.148 -0.414 12.197 1.00 0.00 O ATOM 1108 CG2 THR A 65 4.927 -0.195 14.468 1.00 0.00 C ATOM 0 H THR A 65 2.132 -2.105 12.358 1.00 0.00 H new ATOM 0 HA THR A 65 4.805 -2.732 13.478 1.00 0.00 H new ATOM 0 HB THR A 65 2.881 -0.361 13.821 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.400 -0.671 11.619 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.946 0.891 14.375 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.700 -0.467 15.499 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.900 -0.600 14.191 1.00 0.00 H new ATOM 1116 N LEU A 66 2.137 -2.699 15.417 1.00 0.00 N ATOM 1117 CA LEU A 66 1.730 -3.078 16.817 1.00 0.00 C ATOM 1118 C LEU A 66 1.632 -4.611 17.004 1.00 0.00 C ATOM 1119 O LEU A 66 1.882 -5.110 18.085 1.00 0.00 O ATOM 1120 CB LEU A 66 0.381 -2.379 17.098 1.00 0.00 C ATOM 1121 CG LEU A 66 -0.759 -3.012 16.286 1.00 0.00 C ATOM 1122 CD1 LEU A 66 -1.337 -4.204 17.054 1.00 0.00 C ATOM 1123 CD2 LEU A 66 -1.858 -1.965 16.067 1.00 0.00 C ATOM 0 H LEU A 66 1.373 -2.453 14.787 1.00 0.00 H new ATOM 0 HA LEU A 66 2.488 -2.752 17.530 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.151 -2.443 18.162 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.460 -1.320 16.852 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.378 -3.355 15.324 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.146 -4.652 16.476 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.555 -4.945 17.218 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.723 -3.865 18.015 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.671 -2.406 15.491 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.237 -1.628 17.032 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.447 -1.115 15.522 1.00 0.00 H new ATOM 1135 N TYR A 67 1.263 -5.364 15.984 1.00 0.00 N ATOM 1136 CA TYR A 67 1.152 -6.861 16.166 1.00 0.00 C ATOM 1137 C TYR A 67 2.505 -7.567 15.933 1.00 0.00 C ATOM 1138 O TYR A 67 2.799 -8.553 16.584 1.00 0.00 O ATOM 1139 CB TYR A 67 0.102 -7.349 15.146 1.00 0.00 C ATOM 1140 CG TYR A 67 -0.050 -8.859 15.236 1.00 0.00 C ATOM 1141 CD1 TYR A 67 -0.840 -9.434 16.242 1.00 0.00 C ATOM 1142 CD2 TYR A 67 0.607 -9.680 14.312 1.00 0.00 C ATOM 1143 CE1 TYR A 67 -0.974 -10.827 16.322 1.00 0.00 C ATOM 1144 CE2 TYR A 67 0.474 -11.072 14.392 1.00 0.00 C ATOM 1145 CZ TYR A 67 -0.315 -11.645 15.397 1.00 0.00 C ATOM 1146 OH TYR A 67 -0.444 -13.017 15.476 1.00 0.00 O ATOM 0 H TYR A 67 1.038 -5.018 15.051 1.00 0.00 H new ATOM 0 HA TYR A 67 0.857 -7.098 17.188 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.856 -6.867 15.340 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.404 -7.065 14.138 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.346 -8.802 16.957 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.217 -9.240 13.537 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.585 -11.268 17.096 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.981 -11.704 13.678 1.00 0.00 H new ATOM 0 HH TYR A 67 0.076 -13.436 14.759 1.00 0.00 H new ATOM 1156 N TYR A 68 3.314 -7.106 15.000 1.00 0.00 N ATOM 1157 CA TYR A 68 4.619 -7.812 14.739 1.00 0.00 C ATOM 1158 C TYR A 68 5.819 -7.136 15.436 1.00 0.00 C ATOM 1159 O TYR A 68 6.845 -7.768 15.620 1.00 0.00 O ATOM 1160 CB TYR A 68 4.811 -7.788 13.215 1.00 0.00 C ATOM 1161 CG TYR A 68 4.072 -8.945 12.582 1.00 0.00 C ATOM 1162 CD1 TYR A 68 4.396 -10.259 12.935 1.00 0.00 C ATOM 1163 CD2 TYR A 68 3.066 -8.703 11.633 1.00 0.00 C ATOM 1164 CE1 TYR A 68 3.718 -11.332 12.344 1.00 0.00 C ATOM 1165 CE2 TYR A 68 2.391 -9.776 11.041 1.00 0.00 C ATOM 1166 CZ TYR A 68 2.716 -11.090 11.396 1.00 0.00 C ATOM 1167 OH TYR A 68 2.049 -12.147 10.813 1.00 0.00 O ATOM 0 H TYR A 68 3.133 -6.288 14.418 1.00 0.00 H new ATOM 0 HA TYR A 68 4.579 -8.824 15.142 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.444 -6.845 12.809 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.872 -7.848 12.973 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.170 -10.446 13.664 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.813 -7.689 11.360 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.968 -12.346 12.619 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.619 -9.590 10.309 1.00 0.00 H new ATOM 0 HH TYR A 68 1.385 -11.805 10.179 1.00 0.00 H new ATOM 1177 N LYS A 69 5.733 -5.873 15.814 1.00 0.00 N ATOM 1178 CA LYS A 69 6.911 -5.221 16.475 1.00 0.00 C ATOM 1179 C LYS A 69 6.570 -4.741 17.897 1.00 0.00 C ATOM 1180 O LYS A 69 7.228 -5.122 18.847 1.00 0.00 O ATOM 1181 CB LYS A 69 7.266 -4.034 15.577 1.00 0.00 C ATOM 1182 CG LYS A 69 7.734 -4.550 14.213 1.00 0.00 C ATOM 1183 CD LYS A 69 6.527 -4.699 13.272 1.00 0.00 C ATOM 1184 CE LYS A 69 6.667 -3.735 12.090 1.00 0.00 C ATOM 1185 NZ LYS A 69 7.760 -4.306 11.256 1.00 0.00 N ATOM 0 H LYS A 69 4.912 -5.279 15.694 1.00 0.00 H new ATOM 0 HA LYS A 69 7.740 -5.920 16.586 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.399 -3.384 15.455 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.050 -3.435 16.040 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.460 -3.860 13.782 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.237 -5.510 14.330 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.461 -5.725 12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.604 -4.492 13.814 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.737 -3.663 11.527 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.913 -2.728 12.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.455 -3.564 11.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.227 -5.076 11.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.362 -4.678 10.370 1.00 0.00 H new ATOM 1199 N ARG A 70 5.560 -3.910 18.059 1.00 0.00 N ATOM 1200 CA ARG A 70 5.218 -3.425 19.449 1.00 0.00 C ATOM 1201 C ARG A 70 4.702 -4.584 20.321 1.00 0.00 C ATOM 1202 O ARG A 70 4.871 -4.571 21.526 1.00 0.00 O ATOM 1203 CB ARG A 70 4.127 -2.358 19.294 1.00 0.00 C ATOM 1204 CG ARG A 70 4.275 -1.309 20.398 1.00 0.00 C ATOM 1205 CD ARG A 70 2.916 -0.661 20.673 1.00 0.00 C ATOM 1206 NE ARG A 70 3.239 0.677 21.257 1.00 0.00 N ATOM 1207 CZ ARG A 70 3.657 0.798 22.507 1.00 0.00 C ATOM 1208 NH1 ARG A 70 3.804 -0.250 23.287 1.00 0.00 N ATOM 1209 NH2 ARG A 70 3.931 1.986 22.984 1.00 0.00 N ATOM 0 H ARG A 70 4.968 -3.552 17.310 1.00 0.00 H new ATOM 0 HA ARG A 70 6.102 -3.017 19.939 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.204 -1.884 18.315 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.141 -2.821 19.348 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.659 -1.773 21.306 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.998 -0.550 20.098 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.333 -0.562 19.757 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.325 -1.261 21.364 1.00 0.00 H new ATOM 0 HE ARG A 70 3.135 1.512 20.681 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.594 -1.183 22.932 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.128 -0.130 24.247 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.822 2.810 22.393 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.254 2.087 23.946 1.00 0.00 H new ATOM 1223 N LYS A 71 4.066 -5.587 19.736 1.00 0.00 N ATOM 1224 CA LYS A 71 3.539 -6.732 20.547 1.00 0.00 C ATOM 1225 C LYS A 71 2.532 -6.221 21.586 1.00 0.00 C ATOM 1226 O LYS A 71 2.555 -6.629 22.732 1.00 0.00 O ATOM 1227 CB LYS A 71 4.758 -7.369 21.233 1.00 0.00 C ATOM 1228 CG LYS A 71 4.675 -8.894 21.118 1.00 0.00 C ATOM 1229 CD LYS A 71 6.023 -9.510 21.502 1.00 0.00 C ATOM 1230 CE LYS A 71 6.272 -10.762 20.659 1.00 0.00 C ATOM 1231 NZ LYS A 71 7.043 -10.284 19.478 1.00 0.00 N ATOM 0 H LYS A 71 3.893 -5.655 18.733 1.00 0.00 H new ATOM 0 HA LYS A 71 3.018 -7.460 19.926 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.677 -7.009 20.771 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.792 -7.075 22.282 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.890 -9.276 21.770 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.410 -9.179 20.100 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.823 -8.787 21.343 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.029 -9.765 22.562 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.832 -11.510 21.220 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.334 -11.227 20.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.252 -11.087 18.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.482 -9.578 18.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.934 -9.852 19.797 1.00 0.00 H new ATOM 1245 N ALA A 72 1.633 -5.342 21.189 1.00 0.00 N ATOM 1246 CA ALA A 72 0.614 -4.823 22.150 1.00 0.00 C ATOM 1247 C ALA A 72 -0.785 -5.306 21.727 1.00 0.00 C ATOM 1248 O ALA A 72 -1.755 -4.582 21.843 1.00 0.00 O ATOM 1249 CB ALA A 72 0.710 -3.299 22.054 1.00 0.00 C ATOM 0 H ALA A 72 1.566 -4.967 20.243 1.00 0.00 H new ATOM 0 HA ALA A 72 0.784 -5.171 23.169 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.011 -2.845 22.734 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.716 -2.980 22.327 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.494 -2.984 21.033 1.00 0.00 H new ATOM 1255 N ILE A 73 -0.895 -6.524 21.228 1.00 0.00 N ATOM 1256 CA ILE A 73 -2.231 -7.043 20.791 1.00 0.00 C ATOM 1257 C ILE A 73 -2.204 -8.582 20.717 1.00 0.00 C ATOM 1258 O ILE A 73 -1.143 -9.178 20.675 1.00 0.00 O ATOM 1259 CB ILE A 73 -2.457 -6.428 19.399 1.00 0.00 C ATOM 1260 CG1 ILE A 73 -3.796 -6.912 18.830 1.00 0.00 C ATOM 1261 CG2 ILE A 73 -1.324 -6.840 18.452 1.00 0.00 C ATOM 1262 CD1 ILE A 73 -4.087 -6.190 17.510 1.00 0.00 C ATOM 0 H ILE A 73 -0.118 -7.174 21.107 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.030 -6.778 21.484 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.471 -5.342 19.492 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.765 -7.989 18.667 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.596 -6.720 19.545 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.493 -6.400 17.469 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.372 -6.487 18.849 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.300 -7.926 18.364 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.039 -6.536 17.108 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.137 -5.115 17.686 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.292 -6.404 16.795 1.00 0.00 H new ATOM 1274 N SER A 74 -3.349 -9.229 20.692 1.00 0.00 N ATOM 1275 CA SER A 74 -3.355 -10.723 20.613 1.00 0.00 C ATOM 1276 C SER A 74 -3.820 -11.174 19.221 1.00 0.00 C ATOM 1277 O SER A 74 -4.611 -10.504 18.586 1.00 0.00 O ATOM 1278 CB SER A 74 -4.343 -11.185 21.687 1.00 0.00 C ATOM 1279 OG SER A 74 -5.670 -10.963 21.229 1.00 0.00 O ATOM 0 H SER A 74 -4.269 -8.790 20.723 1.00 0.00 H new ATOM 0 HA SER A 74 -2.363 -11.146 20.773 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.193 -12.242 21.905 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.170 -10.640 22.615 1.00 0.00 H new ATOM 0 HG SER A 74 -6.306 -11.259 21.913 1.00 0.00 H new ATOM 1285 N LYS A 75 -3.331 -12.304 18.735 1.00 0.00 N ATOM 1286 CA LYS A 75 -3.754 -12.796 17.366 1.00 0.00 C ATOM 1287 C LYS A 75 -5.284 -12.722 17.185 1.00 0.00 C ATOM 1288 O LYS A 75 -5.762 -12.495 16.090 1.00 0.00 O ATOM 1289 CB LYS A 75 -3.292 -14.258 17.266 1.00 0.00 C ATOM 1290 CG LYS A 75 -3.324 -14.704 15.802 1.00 0.00 C ATOM 1291 CD LYS A 75 -2.385 -15.896 15.610 1.00 0.00 C ATOM 1292 CE LYS A 75 -2.189 -16.155 14.113 1.00 0.00 C ATOM 1293 NZ LYS A 75 -0.896 -16.888 14.016 1.00 0.00 N ATOM 0 H LYS A 75 -2.663 -12.903 19.221 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.310 -12.173 16.589 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.283 -14.360 17.666 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.940 -14.897 17.866 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.340 -14.978 15.517 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.022 -13.882 15.154 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.424 -15.696 16.084 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.800 -16.781 16.092 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.009 -16.745 13.704 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.157 -15.221 13.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.692 -17.102 13.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.133 -16.299 14.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.959 -17.776 14.554 1.00 0.00 H new ATOM 1307 N ASP A 76 -6.060 -12.904 18.241 1.00 0.00 N ATOM 1308 CA ASP A 76 -7.556 -12.824 18.080 1.00 0.00 C ATOM 1309 C ASP A 76 -7.941 -11.418 17.601 1.00 0.00 C ATOM 1310 O ASP A 76 -8.657 -11.271 16.628 1.00 0.00 O ATOM 1311 CB ASP A 76 -8.174 -13.108 19.458 1.00 0.00 C ATOM 1312 CG ASP A 76 -8.089 -14.607 19.757 1.00 0.00 C ATOM 1313 OD1 ASP A 76 -6.985 -15.126 19.774 1.00 0.00 O ATOM 1314 OD2 ASP A 76 -9.129 -15.209 19.964 1.00 0.00 O ATOM 0 H ASP A 76 -5.730 -13.100 19.186 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.917 -13.544 17.346 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.648 -12.543 20.228 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.214 -12.781 19.476 1.00 0.00 H new ATOM 1319 N LEU A 77 -7.459 -10.380 18.259 1.00 0.00 N ATOM 1320 CA LEU A 77 -7.803 -8.993 17.791 1.00 0.00 C ATOM 1321 C LEU A 77 -7.139 -8.756 16.428 1.00 0.00 C ATOM 1322 O LEU A 77 -7.748 -8.214 15.526 1.00 0.00 O ATOM 1323 CB LEU A 77 -7.257 -8.004 18.838 1.00 0.00 C ATOM 1324 CG LEU A 77 -7.592 -6.569 18.410 1.00 0.00 C ATOM 1325 CD1 LEU A 77 -9.096 -6.321 18.570 1.00 0.00 C ATOM 1326 CD2 LEU A 77 -6.809 -5.569 19.277 1.00 0.00 C ATOM 0 H LEU A 77 -6.857 -10.432 19.080 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.879 -8.860 17.682 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.693 -8.215 19.815 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.178 -8.123 18.938 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.312 -6.433 17.365 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.331 -5.301 18.265 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.649 -7.023 17.946 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.379 -6.462 19.613 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.051 -4.552 18.968 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.080 -5.705 20.324 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.740 -5.740 19.154 1.00 0.00 H new ATOM 1338 N TYR A 78 -5.897 -9.178 16.260 1.00 0.00 N ATOM 1339 CA TYR A 78 -5.222 -8.984 14.928 1.00 0.00 C ATOM 1340 C TYR A 78 -6.005 -9.752 13.847 1.00 0.00 C ATOM 1341 O TYR A 78 -6.191 -9.257 12.750 1.00 0.00 O ATOM 1342 CB TYR A 78 -3.787 -9.539 15.069 1.00 0.00 C ATOM 1343 CG TYR A 78 -3.051 -9.439 13.747 1.00 0.00 C ATOM 1344 CD1 TYR A 78 -3.101 -8.255 12.998 1.00 0.00 C ATOM 1345 CD2 TYR A 78 -2.316 -10.533 13.274 1.00 0.00 C ATOM 1346 CE1 TYR A 78 -2.418 -8.167 11.778 1.00 0.00 C ATOM 1347 CE2 TYR A 78 -1.633 -10.444 12.055 1.00 0.00 C ATOM 1348 CZ TYR A 78 -1.684 -9.262 11.307 1.00 0.00 C ATOM 1349 OH TYR A 78 -1.011 -9.176 10.105 1.00 0.00 O ATOM 0 H TYR A 78 -5.333 -9.639 16.974 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.192 -7.934 14.637 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.248 -8.982 15.836 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.822 -10.578 15.395 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.667 -7.410 13.362 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.276 -11.446 13.850 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.458 -7.255 11.201 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.066 -11.288 11.691 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.551 -10.023 9.926 1.00 0.00 H new ATOM 1359 N ASP A 79 -6.489 -10.944 14.150 1.00 0.00 N ATOM 1360 CA ASP A 79 -7.284 -11.703 13.122 1.00 0.00 C ATOM 1361 C ASP A 79 -8.635 -11.001 12.927 1.00 0.00 C ATOM 1362 O ASP A 79 -9.096 -10.832 11.813 1.00 0.00 O ATOM 1363 CB ASP A 79 -7.491 -13.122 13.672 1.00 0.00 C ATOM 1364 CG ASP A 79 -7.853 -14.068 12.526 1.00 0.00 C ATOM 1365 OD1 ASP A 79 -8.606 -13.656 11.660 1.00 0.00 O ATOM 1366 OD2 ASP A 79 -7.371 -15.189 12.534 1.00 0.00 O ATOM 0 H ASP A 79 -6.370 -11.414 15.047 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.772 -11.743 12.161 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.584 -13.466 14.169 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.283 -13.121 14.420 1.00 0.00 H new ATOM 1371 N TRP A 80 -9.269 -10.570 14.003 1.00 0.00 N ATOM 1372 CA TRP A 80 -10.590 -9.853 13.863 1.00 0.00 C ATOM 1373 C TRP A 80 -10.424 -8.623 12.948 1.00 0.00 C ATOM 1374 O TRP A 80 -11.317 -8.294 12.189 1.00 0.00 O ATOM 1375 CB TRP A 80 -10.999 -9.415 15.284 1.00 0.00 C ATOM 1376 CG TRP A 80 -12.316 -8.704 15.250 1.00 0.00 C ATOM 1377 CD1 TRP A 80 -13.519 -9.302 15.091 1.00 0.00 C ATOM 1378 CD2 TRP A 80 -12.580 -7.278 15.381 1.00 0.00 C ATOM 1379 NE1 TRP A 80 -14.506 -8.331 15.117 1.00 0.00 N ATOM 1380 CE2 TRP A 80 -13.976 -7.068 15.292 1.00 0.00 C ATOM 1381 CE3 TRP A 80 -11.752 -6.157 15.566 1.00 0.00 C ATOM 1382 CZ2 TRP A 80 -14.530 -5.790 15.385 1.00 0.00 C ATOM 1383 CZ3 TRP A 80 -12.307 -4.870 15.659 1.00 0.00 C ATOM 1384 CH2 TRP A 80 -13.692 -4.688 15.568 1.00 0.00 C ATOM 0 H TRP A 80 -8.934 -10.682 14.960 1.00 0.00 H new ATOM 0 HA TRP A 80 -11.350 -10.495 13.418 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -11.065 -10.286 15.935 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.235 -8.760 15.704 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -13.683 -10.362 14.965 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -15.503 -8.525 15.019 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -10.682 -6.286 15.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -15.599 -5.655 15.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -11.661 -4.016 15.802 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -14.112 -3.696 15.639 1.00 0.00 H new ATOM 1395 N LEU A 81 -9.288 -7.950 12.997 1.00 0.00 N ATOM 1396 CA LEU A 81 -9.095 -6.758 12.099 1.00 0.00 C ATOM 1397 C LEU A 81 -8.954 -7.245 10.649 1.00 0.00 C ATOM 1398 O LEU A 81 -9.628 -6.760 9.759 1.00 0.00 O ATOM 1399 CB LEU A 81 -7.801 -6.056 12.547 1.00 0.00 C ATOM 1400 CG LEU A 81 -7.918 -5.613 14.010 1.00 0.00 C ATOM 1401 CD1 LEU A 81 -6.519 -5.501 14.621 1.00 0.00 C ATOM 1402 CD2 LEU A 81 -8.609 -4.251 14.078 1.00 0.00 C ATOM 0 H LEU A 81 -8.502 -8.171 13.608 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.940 -6.072 12.158 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.953 -6.731 12.431 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.609 -5.191 11.912 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.503 -6.347 14.565 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.600 -5.186 15.661 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.022 -6.470 14.573 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.937 -4.767 14.064 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.692 -3.937 15.118 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.024 -3.518 13.523 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.605 -4.326 13.641 1.00 0.00 H new ATOM 1414 N ILE A 82 -8.093 -8.215 10.405 1.00 0.00 N ATOM 1415 CA ILE A 82 -7.928 -8.736 8.997 1.00 0.00 C ATOM 1416 C ILE A 82 -9.281 -9.262 8.465 1.00 0.00 C ATOM 1417 O ILE A 82 -9.552 -9.174 7.283 1.00 0.00 O ATOM 1418 CB ILE A 82 -6.886 -9.880 9.064 1.00 0.00 C ATOM 1419 CG1 ILE A 82 -5.509 -9.320 9.468 1.00 0.00 C ATOM 1420 CG2 ILE A 82 -6.765 -10.572 7.699 1.00 0.00 C ATOM 1421 CD1 ILE A 82 -5.035 -8.272 8.453 1.00 0.00 C ATOM 0 H ILE A 82 -7.505 -8.664 11.107 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.594 -7.949 8.320 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.219 -10.603 9.808 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.569 -8.873 10.460 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.783 -10.131 9.527 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.029 -11.374 7.761 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.732 -10.988 7.415 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.448 -9.846 6.950 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.061 -7.888 8.755 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.955 -8.730 7.467 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.752 -7.452 8.415 1.00 0.00 H new ATOM 1433 N LYS A 83 -10.132 -9.807 9.318 1.00 0.00 N ATOM 1434 CA LYS A 83 -11.455 -10.330 8.820 1.00 0.00 C ATOM 1435 C LYS A 83 -12.554 -9.244 8.839 1.00 0.00 C ATOM 1436 O LYS A 83 -13.585 -9.415 8.213 1.00 0.00 O ATOM 1437 CB LYS A 83 -11.837 -11.485 9.756 1.00 0.00 C ATOM 1438 CG LYS A 83 -11.181 -12.778 9.268 1.00 0.00 C ATOM 1439 CD LYS A 83 -12.028 -13.976 9.702 1.00 0.00 C ATOM 1440 CE LYS A 83 -11.268 -15.272 9.412 1.00 0.00 C ATOM 1441 NZ LYS A 83 -11.661 -15.646 8.025 1.00 0.00 N ATOM 0 H LYS A 83 -9.970 -9.910 10.320 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.365 -10.654 7.783 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.515 -11.264 10.774 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.920 -11.602 9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.084 -12.762 8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.174 -12.864 9.677 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.257 -13.907 10.765 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.980 -13.973 9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.191 -15.124 9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.535 -16.054 10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.179 -16.527 7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.691 -15.787 7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.388 -14.886 7.370 1.00 0.00 H new ATOM 1455 N GLU A 84 -12.367 -8.137 9.538 1.00 0.00 N ATOM 1456 CA GLU A 84 -13.439 -7.082 9.557 1.00 0.00 C ATOM 1457 C GLU A 84 -13.065 -5.856 8.685 1.00 0.00 C ATOM 1458 O GLU A 84 -13.612 -4.787 8.865 1.00 0.00 O ATOM 1459 CB GLU A 84 -13.561 -6.667 11.016 1.00 0.00 C ATOM 1460 CG GLU A 84 -14.005 -7.859 11.859 1.00 0.00 C ATOM 1461 CD GLU A 84 -15.520 -8.036 11.740 1.00 0.00 C ATOM 1462 OE1 GLU A 84 -16.235 -7.137 12.150 1.00 0.00 O ATOM 1463 OE2 GLU A 84 -15.938 -9.067 11.241 1.00 0.00 O ATOM 0 H GLU A 84 -11.533 -7.924 10.086 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.372 -7.469 9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.604 -6.291 11.378 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.280 -5.854 11.113 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.496 -8.763 11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.728 -7.703 12.902 1.00 0.00 H new ATOM 1470 N LYS A 85 -12.146 -6.004 7.739 1.00 0.00 N ATOM 1471 CA LYS A 85 -11.731 -4.869 6.834 1.00 0.00 C ATOM 1472 C LYS A 85 -10.857 -3.851 7.572 1.00 0.00 C ATOM 1473 O LYS A 85 -11.313 -2.790 7.954 1.00 0.00 O ATOM 1474 CB LYS A 85 -13.014 -4.211 6.297 1.00 0.00 C ATOM 1475 CG LYS A 85 -12.810 -3.807 4.835 1.00 0.00 C ATOM 1476 CD LYS A 85 -14.137 -3.925 4.082 1.00 0.00 C ATOM 1477 CE LYS A 85 -14.553 -5.395 4.007 1.00 0.00 C ATOM 1478 NZ LYS A 85 -15.464 -5.476 2.832 1.00 0.00 N ATOM 0 H LYS A 85 -11.660 -6.882 7.556 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.127 -5.252 6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.852 -4.903 6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.264 -3.335 6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.437 -2.784 4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.059 -4.446 4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.907 -3.344 4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.035 -3.513 3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.687 -6.045 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -15.057 -5.710 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -15.793 -6.456 2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.282 -4.852 2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.954 -5.177 1.976 1.00 0.00 H new ATOM 1492 N TYR A 86 -9.594 -4.172 7.775 1.00 0.00 N ATOM 1493 CA TYR A 86 -8.681 -3.234 8.485 1.00 0.00 C ATOM 1494 C TYR A 86 -7.345 -3.146 7.736 1.00 0.00 C ATOM 1495 O TYR A 86 -6.977 -2.101 7.235 1.00 0.00 O ATOM 1496 CB TYR A 86 -8.477 -3.859 9.865 1.00 0.00 C ATOM 1497 CG TYR A 86 -9.665 -3.547 10.741 1.00 0.00 C ATOM 1498 CD1 TYR A 86 -10.897 -4.187 10.525 1.00 0.00 C ATOM 1499 CD2 TYR A 86 -9.533 -2.609 11.771 1.00 0.00 C ATOM 1500 CE1 TYR A 86 -11.990 -3.878 11.348 1.00 0.00 C ATOM 1501 CE2 TYR A 86 -10.626 -2.307 12.590 1.00 0.00 C ATOM 1502 CZ TYR A 86 -11.853 -2.941 12.379 1.00 0.00 C ATOM 1503 OH TYR A 86 -12.931 -2.641 13.186 1.00 0.00 O ATOM 0 H TYR A 86 -9.164 -5.047 7.475 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.084 -2.223 8.549 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.354 -4.938 9.772 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.565 -3.472 10.320 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.002 -4.912 9.731 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.585 -2.117 11.934 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.940 -4.365 11.186 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.521 -1.584 13.385 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.995 -3.302 13.906 1.00 0.00 H new ATOM 1513 N ALA A 87 -6.619 -4.239 7.651 1.00 0.00 N ATOM 1514 CA ALA A 87 -5.314 -4.222 6.930 1.00 0.00 C ATOM 1515 C ALA A 87 -5.346 -5.226 5.767 1.00 0.00 C ATOM 1516 O ALA A 87 -6.373 -5.815 5.486 1.00 0.00 O ATOM 1517 CB ALA A 87 -4.279 -4.641 7.975 1.00 0.00 C ATOM 0 H ALA A 87 -6.879 -5.140 8.052 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.086 -3.245 6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.288 -4.653 7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.290 -3.932 8.803 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.520 -5.637 8.347 1.00 0.00 H new ATOM 1523 N ASP A 88 -4.236 -5.427 5.084 1.00 0.00 N ATOM 1524 CA ASP A 88 -4.225 -6.392 3.944 1.00 0.00 C ATOM 1525 C ASP A 88 -3.142 -7.458 4.155 1.00 0.00 C ATOM 1526 O ASP A 88 -1.963 -7.158 4.117 1.00 0.00 O ATOM 1527 CB ASP A 88 -3.902 -5.543 2.715 1.00 0.00 C ATOM 1528 CG ASP A 88 -4.241 -6.329 1.447 1.00 0.00 C ATOM 1529 OD1 ASP A 88 -3.746 -7.436 1.310 1.00 0.00 O ATOM 1530 OD2 ASP A 88 -4.988 -5.810 0.634 1.00 0.00 O ATOM 0 H ASP A 88 -3.346 -4.965 5.270 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.173 -6.920 3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.471 -4.614 2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.847 -5.271 2.715 1.00 0.00 H new ATOM 1535 N LYS A 89 -3.522 -8.703 4.367 1.00 0.00 N ATOM 1536 CA LYS A 89 -2.480 -9.771 4.568 1.00 0.00 C ATOM 1537 C LYS A 89 -1.647 -9.918 3.287 1.00 0.00 C ATOM 1538 O LYS A 89 -0.441 -10.068 3.347 1.00 0.00 O ATOM 1539 CB LYS A 89 -3.227 -11.078 4.871 1.00 0.00 C ATOM 1540 CG LYS A 89 -3.473 -11.188 6.378 1.00 0.00 C ATOM 1541 CD LYS A 89 -3.409 -12.656 6.801 1.00 0.00 C ATOM 1542 CE LYS A 89 -3.397 -12.749 8.329 1.00 0.00 C ATOM 1543 NZ LYS A 89 -2.446 -13.852 8.641 1.00 0.00 N ATOM 0 H LYS A 89 -4.490 -9.021 4.409 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.805 -9.519 5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.176 -11.100 4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -2.644 -11.931 4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.727 -10.609 6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.447 -10.768 6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -4.265 -13.198 6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.514 -13.125 6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.074 -11.810 8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -4.392 -12.964 8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.384 -13.976 9.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.783 -14.734 8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.506 -13.617 8.264 1.00 0.00 H new ATOM 1557 N LEU A 90 -2.272 -9.868 2.124 1.00 0.00 N ATOM 1558 CA LEU A 90 -1.479 -9.998 0.848 1.00 0.00 C ATOM 1559 C LEU A 90 -0.436 -8.871 0.772 1.00 0.00 C ATOM 1560 O LEU A 90 0.692 -9.095 0.372 1.00 0.00 O ATOM 1561 CB LEU A 90 -2.478 -9.873 -0.315 1.00 0.00 C ATOM 1562 CG LEU A 90 -1.884 -10.513 -1.570 1.00 0.00 C ATOM 1563 CD1 LEU A 90 -1.781 -12.027 -1.371 1.00 0.00 C ATOM 1564 CD2 LEU A 90 -2.787 -10.219 -2.769 1.00 0.00 C ATOM 0 H LEU A 90 -3.277 -9.745 2.004 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.953 -10.952 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.417 -10.361 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.705 -8.823 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.891 -10.101 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.358 -12.484 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.138 -12.239 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.774 -12.438 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.364 -10.675 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.780 -10.631 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.862 -9.141 -2.912 1.00 0.00 H new ATOM 1576 N LEU A 91 -0.796 -7.661 1.162 1.00 0.00 N ATOM 1577 CA LEU A 91 0.205 -6.538 1.114 1.00 0.00 C ATOM 1578 C LEU A 91 1.334 -6.832 2.110 1.00 0.00 C ATOM 1579 O LEU A 91 2.496 -6.843 1.746 1.00 0.00 O ATOM 1580 CB LEU A 91 -0.552 -5.255 1.520 1.00 0.00 C ATOM 1581 CG LEU A 91 0.084 -4.005 0.883 1.00 0.00 C ATOM 1582 CD1 LEU A 91 1.598 -3.976 1.128 1.00 0.00 C ATOM 1583 CD2 LEU A 91 -0.189 -4.000 -0.623 1.00 0.00 C ATOM 0 H LEU A 91 -1.723 -7.408 1.505 1.00 0.00 H new ATOM 0 HA LEU A 91 0.645 -6.426 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.595 -5.332 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.547 -5.155 2.605 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.359 -3.122 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.024 -3.084 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.793 -3.960 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.055 -4.863 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.262 -3.115 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.241 -4.894 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.265 -3.987 -0.798 1.00 0.00 H new ATOM 1595 N ILE A 92 1.006 -7.098 3.361 1.00 0.00 N ATOM 1596 CA ILE A 92 2.088 -7.419 4.357 1.00 0.00 C ATOM 1597 C ILE A 92 2.818 -8.706 3.914 1.00 0.00 C ATOM 1598 O ILE A 92 4.014 -8.832 4.103 1.00 0.00 O ATOM 1599 CB ILE A 92 1.389 -7.601 5.727 1.00 0.00 C ATOM 1600 CG1 ILE A 92 0.860 -6.235 6.194 1.00 0.00 C ATOM 1601 CG2 ILE A 92 2.382 -8.149 6.765 1.00 0.00 C ATOM 1602 CD1 ILE A 92 0.156 -6.368 7.551 1.00 0.00 C ATOM 0 H ILE A 92 0.055 -7.107 3.729 1.00 0.00 H new ATOM 0 HA ILE A 92 2.835 -6.629 4.426 1.00 0.00 H new ATOM 0 HB ILE A 92 0.567 -8.310 5.624 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.685 -5.527 6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.166 -5.835 5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.876 -8.272 7.723 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.763 -9.114 6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.211 -7.451 6.879 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.212 -5.392 7.867 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.681 -7.060 7.460 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.861 -6.747 8.291 1.00 0.00 H new ATOM 1614 N ALA A 93 2.118 -9.656 3.318 1.00 0.00 N ATOM 1615 CA ALA A 93 2.810 -10.915 2.865 1.00 0.00 C ATOM 1616 C ALA A 93 3.806 -10.589 1.741 1.00 0.00 C ATOM 1617 O ALA A 93 4.898 -11.128 1.708 1.00 0.00 O ATOM 1618 CB ALA A 93 1.718 -11.864 2.348 1.00 0.00 C ATOM 0 H ALA A 93 1.116 -9.615 3.129 1.00 0.00 H new ATOM 0 HA ALA A 93 3.366 -11.373 3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.175 -12.793 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.013 -12.079 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.190 -11.394 1.518 1.00 0.00 H new ATOM 1624 N LYS A 94 3.452 -9.708 0.819 1.00 0.00 N ATOM 1625 CA LYS A 94 4.420 -9.369 -0.286 1.00 0.00 C ATOM 1626 C LYS A 94 5.663 -8.675 0.290 1.00 0.00 C ATOM 1627 O LYS A 94 6.774 -8.989 -0.099 1.00 0.00 O ATOM 1628 CB LYS A 94 3.684 -8.457 -1.283 1.00 0.00 C ATOM 1629 CG LYS A 94 3.021 -9.323 -2.355 1.00 0.00 C ATOM 1630 CD LYS A 94 1.738 -8.654 -2.837 1.00 0.00 C ATOM 1631 CE LYS A 94 1.471 -9.046 -4.292 1.00 0.00 C ATOM 1632 NZ LYS A 94 0.862 -10.403 -4.217 1.00 0.00 N ATOM 0 H LYS A 94 2.557 -9.221 0.784 1.00 0.00 H new ATOM 0 HA LYS A 94 4.762 -10.271 -0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.934 -7.860 -0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.384 -7.759 -1.743 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.704 -9.468 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.798 -10.311 -1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.900 -8.956 -2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.826 -7.571 -2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.799 -8.337 -4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.393 -9.058 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.289 -11.016 -4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.033 -10.809 -3.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.162 -10.333 -4.383 1.00 0.00 H new ATOM 1646 N TRP A 95 5.503 -7.755 1.222 1.00 0.00 N ATOM 1647 CA TRP A 95 6.724 -7.088 1.809 1.00 0.00 C ATOM 1648 C TRP A 95 7.608 -8.131 2.517 1.00 0.00 C ATOM 1649 O TRP A 95 8.820 -8.016 2.516 1.00 0.00 O ATOM 1650 CB TRP A 95 6.233 -6.031 2.821 1.00 0.00 C ATOM 1651 CG TRP A 95 6.040 -4.703 2.145 1.00 0.00 C ATOM 1652 CD1 TRP A 95 6.835 -4.193 1.170 1.00 0.00 C ATOM 1653 CD2 TRP A 95 5.013 -3.699 2.394 1.00 0.00 C ATOM 1654 NE1 TRP A 95 6.352 -2.951 0.801 1.00 0.00 N ATOM 1655 CE2 TRP A 95 5.231 -2.602 1.526 1.00 0.00 C ATOM 1656 CE3 TRP A 95 3.918 -3.636 3.276 1.00 0.00 C ATOM 1657 CZ2 TRP A 95 4.398 -1.483 1.533 1.00 0.00 C ATOM 1658 CZ3 TRP A 95 3.077 -2.510 3.286 1.00 0.00 C ATOM 1659 CH2 TRP A 95 3.317 -1.436 2.415 1.00 0.00 C ATOM 0 H TRP A 95 4.606 -7.442 1.595 1.00 0.00 H new ATOM 0 HA TRP A 95 7.320 -6.620 1.025 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.294 -6.357 3.269 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.956 -5.932 3.631 1.00 0.00 H new ATOM 0 HD1 TRP A 95 7.704 -4.679 0.751 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.773 -2.364 0.081 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.723 -4.458 3.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.588 -0.659 0.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 2.241 -2.471 3.968 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.666 -0.574 2.427 1.00 0.00 H new ATOM 1670 N ARG A 96 7.023 -9.152 3.116 1.00 0.00 N ATOM 1671 CA ARG A 96 7.863 -10.193 3.809 1.00 0.00 C ATOM 1672 C ARG A 96 8.437 -11.189 2.786 1.00 0.00 C ATOM 1673 O ARG A 96 9.546 -11.664 2.942 1.00 0.00 O ATOM 1674 CB ARG A 96 6.933 -10.918 4.797 1.00 0.00 C ATOM 1675 CG ARG A 96 6.858 -10.130 6.114 1.00 0.00 C ATOM 1676 CD ARG A 96 5.392 -9.876 6.496 1.00 0.00 C ATOM 1677 NE ARG A 96 5.170 -10.669 7.747 1.00 0.00 N ATOM 1678 CZ ARG A 96 4.901 -11.967 7.706 1.00 0.00 C ATOM 1679 NH1 ARG A 96 4.824 -12.619 6.569 1.00 0.00 N ATOM 1680 NH2 ARG A 96 4.710 -12.621 8.823 1.00 0.00 N ATOM 0 H ARG A 96 6.016 -9.308 3.155 1.00 0.00 H new ATOM 0 HA ARG A 96 8.707 -9.736 4.325 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.937 -11.019 4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.303 -11.926 4.986 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.357 -10.685 6.908 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.384 -9.181 6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.207 -8.815 6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.717 -10.196 5.702 1.00 0.00 H new ATOM 0 HE ARG A 96 5.227 -10.200 8.651 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.973 -12.127 5.688 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.616 -13.617 6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.768 -12.132 9.716 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.503 -13.619 8.800 1.00 0.00 H new ATOM 1694 N LYS A 97 7.698 -11.515 1.741 1.00 0.00 N ATOM 1695 CA LYS A 97 8.228 -12.490 0.714 1.00 0.00 C ATOM 1696 C LYS A 97 9.609 -12.042 0.199 1.00 0.00 C ATOM 1697 O LYS A 97 10.128 -11.023 0.615 1.00 0.00 O ATOM 1698 CB LYS A 97 7.226 -12.492 -0.452 1.00 0.00 C ATOM 1699 CG LYS A 97 6.154 -13.557 -0.224 1.00 0.00 C ATOM 1700 CD LYS A 97 6.798 -14.944 -0.225 1.00 0.00 C ATOM 1701 CE LYS A 97 5.750 -15.995 -0.598 1.00 0.00 C ATOM 1702 NZ LYS A 97 5.925 -16.211 -2.062 1.00 0.00 N ATOM 0 H LYS A 97 6.762 -11.154 1.555 1.00 0.00 H new ATOM 0 HA LYS A 97 8.340 -13.481 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.761 -11.511 -0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.748 -12.685 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.649 -13.381 0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.396 -13.497 -1.005 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.625 -14.972 -0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.214 -15.164 0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.903 -16.920 -0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.743 -15.647 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.240 -16.920 -2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.767 -15.315 -2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.891 -16.548 -2.250 1.00 0.00 H new ATOM 1716 N THR A 98 10.198 -12.786 -0.716 1.00 0.00 N ATOM 1717 CA THR A 98 11.533 -12.385 -1.262 1.00 0.00 C ATOM 1718 C THR A 98 11.364 -11.851 -2.690 1.00 0.00 C ATOM 1719 O THR A 98 10.576 -12.375 -3.457 1.00 0.00 O ATOM 1720 CB THR A 98 12.383 -13.661 -1.259 1.00 0.00 C ATOM 1721 OG1 THR A 98 12.009 -14.475 -0.156 1.00 0.00 O ATOM 1722 CG2 THR A 98 13.862 -13.291 -1.145 1.00 0.00 C ATOM 0 H THR A 98 9.812 -13.647 -1.103 1.00 0.00 H new ATOM 0 HA THR A 98 12.001 -11.598 -0.671 1.00 0.00 H new ATOM 0 HB THR A 98 12.219 -14.209 -2.187 1.00 0.00 H new ATOM 0 HG1 THR A 98 12.550 -15.292 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 98 14.465 -14.199 -1.143 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.147 -12.668 -1.992 1.00 0.00 H new ATOM 0 HG23 THR A 98 14.029 -12.742 -0.218 1.00 0.00 H new ATOM 1730 N GLY A 99 12.080 -10.808 -3.057 1.00 0.00 N ATOM 1731 CA GLY A 99 11.929 -10.251 -4.433 1.00 0.00 C ATOM 1732 C GLY A 99 11.044 -8.988 -4.409 1.00 0.00 C ATOM 1733 O GLY A 99 11.151 -8.151 -5.285 1.00 0.00 O ATOM 0 H GLY A 99 12.756 -10.326 -2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 99 12.909 -10.008 -4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 99 11.486 -11.001 -5.089 1.00 0.00 H new ATOM 1737 N TYR A 100 10.173 -8.831 -3.424 1.00 0.00 N ATOM 1738 CA TYR A 100 9.305 -7.604 -3.385 1.00 0.00 C ATOM 1739 C TYR A 100 9.984 -6.504 -2.551 1.00 0.00 C ATOM 1740 O TYR A 100 9.431 -6.031 -1.574 1.00 0.00 O ATOM 1741 CB TYR A 100 7.986 -8.029 -2.723 1.00 0.00 C ATOM 1742 CG TYR A 100 7.273 -9.044 -3.583 1.00 0.00 C ATOM 1743 CD1 TYR A 100 6.802 -8.684 -4.852 1.00 0.00 C ATOM 1744 CD2 TYR A 100 7.072 -10.343 -3.104 1.00 0.00 C ATOM 1745 CE1 TYR A 100 6.132 -9.624 -5.641 1.00 0.00 C ATOM 1746 CE2 TYR A 100 6.401 -11.284 -3.892 1.00 0.00 C ATOM 1747 CZ TYR A 100 5.930 -10.926 -5.161 1.00 0.00 C ATOM 1748 OH TYR A 100 5.268 -11.853 -5.940 1.00 0.00 O ATOM 0 H TYR A 100 10.031 -9.491 -2.659 1.00 0.00 H new ATOM 0 HA TYR A 100 9.136 -7.205 -4.385 1.00 0.00 H new ATOM 0 HB2 TYR A 100 8.185 -8.452 -1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.349 -7.157 -2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.956 -7.681 -5.221 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.435 -10.619 -2.125 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.770 -9.347 -6.620 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.246 -12.287 -3.522 1.00 0.00 H new ATOM 0 HH TYR A 100 5.214 -12.705 -5.459 1.00 0.00 H new ATOM 1758 N GLU A 101 11.176 -6.085 -2.926 1.00 0.00 N ATOM 1759 CA GLU A 101 11.866 -5.004 -2.133 1.00 0.00 C ATOM 1760 C GLU A 101 11.164 -3.655 -2.352 1.00 0.00 C ATOM 1761 O GLU A 101 11.046 -2.863 -1.435 1.00 0.00 O ATOM 1762 CB GLU A 101 13.316 -4.938 -2.639 1.00 0.00 C ATOM 1763 CG GLU A 101 14.251 -4.616 -1.471 1.00 0.00 C ATOM 1764 CD GLU A 101 15.643 -5.184 -1.759 1.00 0.00 C ATOM 1765 OE1 GLU A 101 15.737 -6.377 -1.990 1.00 0.00 O ATOM 1766 OE2 GLU A 101 16.590 -4.415 -1.741 1.00 0.00 O ATOM 0 H GLU A 101 11.694 -6.436 -3.731 1.00 0.00 H new ATOM 0 HA GLU A 101 11.835 -5.222 -1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.598 -5.888 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.408 -4.176 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.310 -3.537 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.857 -5.041 -0.548 1.00 0.00 H new ATOM 1773 N LYS A 102 10.697 -3.378 -3.555 1.00 0.00 N ATOM 1774 CA LYS A 102 10.011 -2.075 -3.810 1.00 0.00 C ATOM 1775 C LYS A 102 8.608 -2.307 -4.392 1.00 0.00 C ATOM 1776 O LYS A 102 8.426 -2.281 -5.594 1.00 0.00 O ATOM 1777 CB LYS A 102 10.898 -1.359 -4.832 1.00 0.00 C ATOM 1778 CG LYS A 102 12.146 -0.794 -4.139 1.00 0.00 C ATOM 1779 CD LYS A 102 12.042 0.735 -4.032 1.00 0.00 C ATOM 1780 CE LYS A 102 12.977 1.391 -5.053 1.00 0.00 C ATOM 1781 NZ LYS A 102 13.564 2.560 -4.339 1.00 0.00 N ATOM 0 H LYS A 102 10.764 -3.998 -4.362 1.00 0.00 H new ATOM 0 HA LYS A 102 9.880 -1.496 -2.896 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.192 -2.052 -5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 102 10.340 -0.553 -5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.249 -1.230 -3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 102 13.039 -1.067 -4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.014 1.052 -4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.305 1.057 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.752 0.698 -5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.432 1.705 -5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.217 3.062 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.803 3.205 -4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.082 2.230 -3.500 1.00 0.00 H new ATOM 1795 N LEU A 103 7.610 -2.527 -3.556 1.00 0.00 N ATOM 1796 CA LEU A 103 6.232 -2.747 -4.088 1.00 0.00 C ATOM 1797 C LEU A 103 5.267 -1.680 -3.532 1.00 0.00 C ATOM 1798 O LEU A 103 5.356 -1.307 -2.377 1.00 0.00 O ATOM 1799 CB LEU A 103 5.840 -4.170 -3.636 1.00 0.00 C ATOM 1800 CG LEU A 103 5.441 -4.193 -2.152 1.00 0.00 C ATOM 1801 CD1 LEU A 103 3.939 -3.902 -2.024 1.00 0.00 C ATOM 1802 CD2 LEU A 103 5.748 -5.570 -1.563 1.00 0.00 C ATOM 0 H LEU A 103 7.696 -2.562 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 103 6.186 -2.658 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.011 -4.532 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.676 -4.850 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 103 6.006 -3.434 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.654 -3.918 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.722 -2.920 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.374 -4.661 -2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.465 -5.587 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.184 -6.331 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.814 -5.776 -1.655 1.00 0.00 H new ATOM 1814 N CYS A 104 4.352 -1.187 -4.340 1.00 0.00 N ATOM 1815 CA CYS A 104 3.400 -0.143 -3.832 1.00 0.00 C ATOM 1816 C CYS A 104 1.966 -0.688 -3.644 1.00 0.00 C ATOM 1817 O CYS A 104 1.246 -0.205 -2.791 1.00 0.00 O ATOM 1818 CB CYS A 104 3.446 1.021 -4.838 1.00 0.00 C ATOM 1819 SG CYS A 104 2.947 0.508 -6.510 1.00 0.00 S ATOM 0 H CYS A 104 4.225 -1.458 -5.315 1.00 0.00 H new ATOM 0 HA CYS A 104 3.701 0.190 -2.839 1.00 0.00 H new ATOM 0 HB2 CYS A 104 2.790 1.821 -4.495 1.00 0.00 H new ATOM 0 HB3 CYS A 104 4.456 1.429 -4.872 1.00 0.00 H new ATOM 0 HG CYS A 104 1.665 0.297 -6.534 1.00 0.00 H new ATOM 1824 N CYS A 105 1.533 -1.681 -4.399 1.00 0.00 N ATOM 1825 CA CYS A 105 0.139 -2.218 -4.200 1.00 0.00 C ATOM 1826 C CYS A 105 0.111 -3.731 -4.488 1.00 0.00 C ATOM 1827 O CYS A 105 1.142 -4.352 -4.660 1.00 0.00 O ATOM 1828 CB CYS A 105 -0.778 -1.524 -5.222 1.00 0.00 C ATOM 1829 SG CYS A 105 -0.500 0.269 -5.326 1.00 0.00 S ATOM 0 H CYS A 105 2.075 -2.136 -5.133 1.00 0.00 H new ATOM 0 HA CYS A 105 -0.185 -2.036 -3.175 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.619 -1.968 -6.205 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.818 -1.710 -4.953 1.00 0.00 H new ATOM 0 HG CYS A 105 -1.467 0.894 -4.722 1.00 0.00 H new ATOM 1834 N LEU A 106 -1.068 -4.326 -4.562 1.00 0.00 N ATOM 1835 CA LEU A 106 -1.153 -5.795 -4.866 1.00 0.00 C ATOM 1836 C LEU A 106 -1.497 -6.023 -6.358 1.00 0.00 C ATOM 1837 O LEU A 106 -1.000 -6.950 -6.968 1.00 0.00 O ATOM 1838 CB LEU A 106 -2.261 -6.344 -3.960 1.00 0.00 C ATOM 1839 CG LEU A 106 -1.865 -6.144 -2.498 1.00 0.00 C ATOM 1840 CD1 LEU A 106 -3.023 -6.562 -1.591 1.00 0.00 C ATOM 1841 CD2 LEU A 106 -0.636 -7.000 -2.180 1.00 0.00 C ATOM 0 H LEU A 106 -1.964 -3.859 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.204 -6.299 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.202 -5.834 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.421 -7.403 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.632 -5.093 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.739 -6.419 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.899 -5.953 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.258 -7.613 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.353 -6.857 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.870 -8.051 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.191 -6.702 -2.824 1.00 0.00 H new ATOM 1853 N ARG A 107 -2.312 -5.171 -6.965 1.00 0.00 N ATOM 1854 CA ARG A 107 -2.635 -5.340 -8.424 1.00 0.00 C ATOM 1855 C ARG A 107 -1.862 -4.279 -9.242 1.00 0.00 C ATOM 1856 O ARG A 107 -2.359 -3.742 -10.212 1.00 0.00 O ATOM 1857 CB ARG A 107 -4.148 -5.123 -8.543 1.00 0.00 C ATOM 1858 CG ARG A 107 -4.620 -5.509 -9.953 1.00 0.00 C ATOM 1859 CD ARG A 107 -5.864 -6.400 -9.861 1.00 0.00 C ATOM 1860 NE ARG A 107 -6.829 -5.826 -10.848 1.00 0.00 N ATOM 1861 CZ ARG A 107 -7.510 -4.722 -10.582 1.00 0.00 C ATOM 1862 NH1 ARG A 107 -7.358 -4.080 -9.445 1.00 0.00 N ATOM 1863 NH2 ARG A 107 -8.351 -4.252 -11.466 1.00 0.00 N ATOM 0 H ARG A 107 -2.761 -4.375 -6.512 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.351 -6.321 -8.804 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.670 -5.723 -7.798 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.392 -4.080 -8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.847 -4.611 -10.529 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.824 -6.034 -10.481 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.625 -7.436 -10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.280 -6.393 -8.854 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.966 -6.294 -11.744 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.704 -4.430 -8.745 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.894 -3.231 -9.263 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.480 -4.735 -12.355 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.878 -3.402 -11.267 1.00 0.00 H new ATOM 1877 N CYS A 108 -0.649 -3.974 -8.836 1.00 0.00 N ATOM 1878 CA CYS A 108 0.189 -2.952 -9.541 1.00 0.00 C ATOM 1879 C CYS A 108 1.542 -3.646 -9.834 1.00 0.00 C ATOM 1880 O CYS A 108 1.924 -3.819 -10.973 1.00 0.00 O ATOM 1881 CB CYS A 108 0.301 -1.847 -8.476 1.00 0.00 C ATOM 1882 SG CYS A 108 0.434 -0.160 -9.134 1.00 0.00 S ATOM 0 H CYS A 108 -0.197 -4.401 -8.028 1.00 0.00 H new ATOM 0 HA CYS A 108 -0.186 -2.553 -10.484 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.572 -1.900 -7.826 1.00 0.00 H new ATOM 0 HB3 CYS A 108 1.174 -2.049 -7.855 1.00 0.00 H new ATOM 0 HG CYS A 108 0.726 -0.210 -10.400 1.00 0.00 H new ATOM 1887 N ILE A 109 2.236 -4.109 -8.803 1.00 0.00 N ATOM 1888 CA ILE A 109 3.531 -4.855 -9.028 1.00 0.00 C ATOM 1889 C ILE A 109 3.264 -6.231 -9.682 1.00 0.00 C ATOM 1890 O ILE A 109 4.127 -6.772 -10.347 1.00 0.00 O ATOM 1891 CB ILE A 109 4.189 -5.056 -7.638 1.00 0.00 C ATOM 1892 CG1 ILE A 109 3.270 -5.894 -6.721 1.00 0.00 C ATOM 1893 CG2 ILE A 109 4.437 -3.692 -6.991 1.00 0.00 C ATOM 1894 CD1 ILE A 109 4.082 -6.526 -5.588 1.00 0.00 C ATOM 0 H ILE A 109 1.963 -4.003 -7.826 1.00 0.00 H new ATOM 0 HA ILE A 109 4.181 -4.290 -9.696 1.00 0.00 H new ATOM 0 HB ILE A 109 5.133 -5.584 -7.770 1.00 0.00 H new ATOM 0 HG12 ILE A 109 2.485 -5.262 -6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.777 -6.673 -7.303 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.899 -3.831 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.100 -3.103 -7.625 1.00 0.00 H new ATOM 0 HG23 ILE A 109 3.489 -3.168 -6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.421 -7.113 -4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 109 4.850 -7.174 -6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.554 -5.741 -4.997 1.00 0.00 H new ATOM 1906 N GLN A 110 2.093 -6.812 -9.489 1.00 0.00 N ATOM 1907 CA GLN A 110 1.808 -8.146 -10.095 1.00 0.00 C ATOM 1908 C GLN A 110 0.535 -8.078 -10.950 1.00 0.00 C ATOM 1909 O GLN A 110 -0.259 -7.166 -10.808 1.00 0.00 O ATOM 1910 CB GLN A 110 1.602 -9.082 -8.903 1.00 0.00 C ATOM 1911 CG GLN A 110 1.384 -10.510 -9.408 1.00 0.00 C ATOM 1912 CD GLN A 110 1.502 -11.492 -8.236 1.00 0.00 C ATOM 1913 OE1 GLN A 110 2.230 -11.241 -7.296 1.00 0.00 O ATOM 1914 NE2 GLN A 110 0.815 -12.609 -8.246 1.00 0.00 N ATOM 0 H GLN A 110 1.331 -6.415 -8.939 1.00 0.00 H new ATOM 0 HA GLN A 110 2.612 -8.485 -10.748 1.00 0.00 H new ATOM 0 HB2 GLN A 110 2.470 -9.046 -8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.743 -8.757 -8.316 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.401 -10.597 -9.871 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.120 -10.752 -10.174 1.00 0.00 H new ATOM 0 HE21 GLN A 110 0.203 -12.824 -9.033 1.00 0.00 H new ATOM 0 HE22 GLN A 110 0.893 -13.263 -7.467 1.00 0.00 H new ATOM 2034 N THR A 119 2.659 -6.495 -16.440 1.00 0.00 N ATOM 2035 CA THR A 119 2.295 -5.932 -15.104 1.00 0.00 C ATOM 2036 C THR A 119 2.289 -4.398 -15.168 1.00 0.00 C ATOM 2037 O THR A 119 2.605 -3.822 -16.191 1.00 0.00 O ATOM 2038 CB THR A 119 3.394 -6.422 -14.156 1.00 0.00 C ATOM 2039 OG1 THR A 119 3.851 -7.697 -14.586 1.00 0.00 O ATOM 2040 CG2 THR A 119 2.845 -6.530 -12.731 1.00 0.00 C ATOM 0 HA THR A 119 1.304 -6.245 -14.776 1.00 0.00 H new ATOM 0 HB THR A 119 4.221 -5.712 -14.166 1.00 0.00 H new ATOM 0 HG1 THR A 119 3.818 -7.743 -15.564 1.00 0.00 H new ATOM 0 HG21 THR A 119 3.633 -6.879 -12.063 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.496 -5.552 -12.400 1.00 0.00 H new ATOM 0 HG23 THR A 119 2.015 -7.236 -12.713 1.00 0.00 H new ATOM 2048 N CYS A 120 1.938 -3.724 -14.087 1.00 0.00 N ATOM 2049 CA CYS A 120 1.929 -2.215 -14.121 1.00 0.00 C ATOM 2050 C CYS A 120 3.311 -1.688 -14.555 1.00 0.00 C ATOM 2051 O CYS A 120 4.312 -2.356 -14.376 1.00 0.00 O ATOM 2052 CB CYS A 120 1.598 -1.735 -12.702 1.00 0.00 C ATOM 2053 SG CYS A 120 1.319 0.041 -12.745 1.00 0.00 S ATOM 0 H CYS A 120 1.662 -4.144 -13.199 1.00 0.00 H new ATOM 0 HA CYS A 120 1.193 -1.845 -14.835 1.00 0.00 H new ATOM 0 HB2 CYS A 120 0.712 -2.248 -12.327 1.00 0.00 H new ATOM 0 HB3 CYS A 120 2.416 -1.973 -12.022 1.00 0.00 H new ATOM 0 HG CYS A 120 2.139 0.629 -11.925 1.00 0.00 H new ATOM 2058 N ILE A 121 3.374 -0.509 -15.141 1.00 0.00 N ATOM 2059 CA ILE A 121 4.707 0.029 -15.598 1.00 0.00 C ATOM 2060 C ILE A 121 5.556 0.508 -14.404 1.00 0.00 C ATOM 2061 O ILE A 121 6.766 0.376 -14.420 1.00 0.00 O ATOM 2062 CB ILE A 121 4.390 1.193 -16.573 1.00 0.00 C ATOM 2063 CG1 ILE A 121 5.662 1.597 -17.354 1.00 0.00 C ATOM 2064 CG2 ILE A 121 3.811 2.405 -15.820 1.00 0.00 C ATOM 2065 CD1 ILE A 121 6.697 2.298 -16.454 1.00 0.00 C ATOM 0 H ILE A 121 2.574 0.097 -15.321 1.00 0.00 H new ATOM 0 HA ILE A 121 5.297 -0.744 -16.091 1.00 0.00 H new ATOM 0 HB ILE A 121 3.637 0.848 -17.282 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.111 0.709 -17.798 1.00 0.00 H new ATOM 0 HG13 ILE A 121 5.388 2.260 -18.175 1.00 0.00 H new ATOM 0 HG21 ILE A 121 3.598 3.206 -16.528 1.00 0.00 H new ATOM 0 HG22 ILE A 121 2.890 2.113 -15.315 1.00 0.00 H new ATOM 0 HG23 ILE A 121 4.534 2.755 -15.083 1.00 0.00 H new ATOM 0 HD11 ILE A 121 7.573 2.563 -17.046 1.00 0.00 H new ATOM 0 HD12 ILE A 121 6.258 3.201 -16.030 1.00 0.00 H new ATOM 0 HD13 ILE A 121 6.993 1.626 -15.648 1.00 0.00 H new ATOM 2077 N CYS A 122 4.954 1.085 -13.382 1.00 0.00 N ATOM 2078 CA CYS A 122 5.783 1.591 -12.225 1.00 0.00 C ATOM 2079 C CYS A 122 6.721 0.495 -11.671 1.00 0.00 C ATOM 2080 O CYS A 122 7.802 0.799 -11.200 1.00 0.00 O ATOM 2081 CB CYS A 122 4.797 2.141 -11.163 1.00 0.00 C ATOM 2082 SG CYS A 122 4.033 0.813 -10.180 1.00 0.00 S ATOM 0 H CYS A 122 3.947 1.226 -13.297 1.00 0.00 H new ATOM 0 HA CYS A 122 6.452 2.389 -12.547 1.00 0.00 H new ATOM 0 HB2 CYS A 122 5.326 2.824 -10.498 1.00 0.00 H new ATOM 0 HB3 CYS A 122 4.017 2.718 -11.659 1.00 0.00 H new ATOM 0 HG CYS A 122 4.831 0.476 -9.211 1.00 0.00 H new ATOM 2087 N ARG A 123 6.344 -0.767 -11.741 1.00 0.00 N ATOM 2088 CA ARG A 123 7.275 -1.838 -11.229 1.00 0.00 C ATOM 2089 C ARG A 123 8.582 -1.814 -12.040 1.00 0.00 C ATOM 2090 O ARG A 123 9.652 -2.029 -11.500 1.00 0.00 O ATOM 2091 CB ARG A 123 6.571 -3.187 -11.424 1.00 0.00 C ATOM 2092 CG ARG A 123 7.271 -4.247 -10.568 1.00 0.00 C ATOM 2093 CD ARG A 123 6.565 -5.598 -10.733 1.00 0.00 C ATOM 2094 NE ARG A 123 7.644 -6.558 -11.123 1.00 0.00 N ATOM 2095 CZ ARG A 123 8.516 -7.011 -10.234 1.00 0.00 C ATOM 2096 NH1 ARG A 123 8.469 -6.636 -8.976 1.00 0.00 N ATOM 2097 NH2 ARG A 123 9.445 -7.851 -10.612 1.00 0.00 N ATOM 0 H ARG A 123 5.456 -1.097 -12.120 1.00 0.00 H new ATOM 0 HA ARG A 123 7.514 -1.675 -10.178 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.522 -3.108 -11.140 1.00 0.00 H new ATOM 0 HB3 ARG A 123 6.596 -3.476 -12.475 1.00 0.00 H new ATOM 0 HG2 ARG A 123 8.316 -4.334 -10.864 1.00 0.00 H new ATOM 0 HG3 ARG A 123 7.260 -3.946 -9.520 1.00 0.00 H new ATOM 0 HD2 ARG A 123 6.081 -5.905 -9.806 1.00 0.00 H new ATOM 0 HD3 ARG A 123 5.789 -5.546 -11.496 1.00 0.00 H new ATOM 0 HE ARG A 123 7.710 -6.870 -12.092 1.00 0.00 H new ATOM 0 HH11 ARG A 123 7.750 -5.982 -8.665 1.00 0.00 H new ATOM 0 HH12 ARG A 123 9.151 -6.998 -8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 123 9.494 -8.153 -11.585 1.00 0.00 H new ATOM 0 HH22 ARG A 123 10.120 -8.204 -9.934 1.00 0.00 H new ATOM 2111 N VAL A 124 8.510 -1.555 -13.334 1.00 0.00 N ATOM 2112 CA VAL A 124 9.766 -1.522 -14.162 1.00 0.00 C ATOM 2113 C VAL A 124 10.535 -0.211 -13.903 1.00 0.00 C ATOM 2114 O VAL A 124 9.985 0.858 -14.075 1.00 0.00 O ATOM 2115 CB VAL A 124 9.323 -1.588 -15.634 1.00 0.00 C ATOM 2116 CG1 VAL A 124 10.555 -1.619 -16.542 1.00 0.00 C ATOM 2117 CG2 VAL A 124 8.493 -2.854 -15.861 1.00 0.00 C ATOM 0 H VAL A 124 7.647 -1.368 -13.844 1.00 0.00 H new ATOM 0 HA VAL A 124 10.426 -2.352 -13.910 1.00 0.00 H new ATOM 0 HB VAL A 124 8.722 -0.710 -15.869 1.00 0.00 H new ATOM 0 HG11 VAL A 124 10.238 -1.666 -17.584 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.147 -0.718 -16.383 1.00 0.00 H new ATOM 0 HG13 VAL A 124 11.158 -2.496 -16.307 1.00 0.00 H new ATOM 0 HG21 VAL A 124 8.179 -2.901 -16.904 1.00 0.00 H new ATOM 0 HG22 VAL A 124 9.095 -3.731 -15.623 1.00 0.00 H new ATOM 0 HG23 VAL A 124 7.613 -2.833 -15.218 1.00 0.00 H new ATOM 2127 N PRO A 125 11.788 -0.324 -13.506 1.00 0.00 N ATOM 2128 CA PRO A 125 12.606 0.892 -13.246 1.00 0.00 C ATOM 2129 C PRO A 125 12.848 1.673 -14.548 1.00 0.00 C ATOM 2130 O PRO A 125 12.507 1.214 -15.622 1.00 0.00 O ATOM 2131 CB PRO A 125 13.917 0.333 -12.688 1.00 0.00 C ATOM 2132 CG PRO A 125 13.981 -1.065 -13.208 1.00 0.00 C ATOM 2133 CD PRO A 125 12.560 -1.553 -13.265 1.00 0.00 C ATOM 0 HA PRO A 125 12.124 1.592 -12.564 1.00 0.00 H new ATOM 0 HB2 PRO A 125 14.772 0.920 -13.022 1.00 0.00 H new ATOM 0 HB3 PRO A 125 13.924 0.351 -11.598 1.00 0.00 H new ATOM 0 HG2 PRO A 125 14.443 -1.093 -14.195 1.00 0.00 H new ATOM 0 HG3 PRO A 125 14.584 -1.696 -12.556 1.00 0.00 H new ATOM 0 HD2 PRO A 125 12.417 -2.281 -14.064 1.00 0.00 H new ATOM 0 HD3 PRO A 125 12.264 -2.038 -12.335 1.00 0.00 H new ATOM 2141 N ARG A 126 13.434 2.851 -14.464 1.00 0.00 N ATOM 2142 CA ARG A 126 13.690 3.651 -15.717 1.00 0.00 C ATOM 2143 C ARG A 126 14.870 3.061 -16.506 1.00 0.00 C ATOM 2144 O ARG A 126 14.863 3.069 -17.723 1.00 0.00 O ATOM 2145 CB ARG A 126 14.016 5.085 -15.269 1.00 0.00 C ATOM 2146 CG ARG A 126 12.719 5.879 -15.109 1.00 0.00 C ATOM 2147 CD ARG A 126 12.219 6.322 -16.486 1.00 0.00 C ATOM 2148 NE ARG A 126 13.227 7.317 -16.960 1.00 0.00 N ATOM 2149 CZ ARG A 126 13.283 8.538 -16.450 1.00 0.00 C ATOM 2150 NH1 ARG A 126 12.453 8.924 -15.507 1.00 0.00 N ATOM 2151 NH2 ARG A 126 14.179 9.382 -16.890 1.00 0.00 N ATOM 0 H ARG A 126 13.743 3.289 -13.596 1.00 0.00 H new ATOM 0 HA ARG A 126 12.819 3.631 -16.372 1.00 0.00 H new ATOM 0 HB2 ARG A 126 14.562 5.067 -14.326 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.662 5.568 -16.002 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.964 5.267 -14.616 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.889 6.749 -14.475 1.00 0.00 H new ATOM 0 HD2 ARG A 126 12.146 5.477 -17.170 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.226 6.766 -16.421 1.00 0.00 H new ATOM 0 HE ARG A 126 13.886 7.051 -17.692 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.747 8.278 -15.153 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.515 9.869 -15.129 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.830 9.099 -17.622 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.227 10.324 -16.501 1.00 0.00 H new ATOM 2165 N ALA A 127 15.890 2.555 -15.835 1.00 0.00 N ATOM 2166 CA ALA A 127 17.065 1.975 -16.587 1.00 0.00 C ATOM 2167 C ALA A 127 16.590 0.862 -17.532 1.00 0.00 C ATOM 2168 O ALA A 127 17.043 0.769 -18.658 1.00 0.00 O ATOM 2169 CB ALA A 127 18.028 1.401 -15.536 1.00 0.00 C ATOM 0 H ALA A 127 15.961 2.518 -14.818 1.00 0.00 H new ATOM 0 HA ALA A 127 17.556 2.738 -17.191 1.00 0.00 H new ATOM 0 HB1 ALA A 127 18.896 0.969 -16.035 1.00 0.00 H new ATOM 0 HB2 ALA A 127 18.353 2.198 -14.867 1.00 0.00 H new ATOM 0 HB3 ALA A 127 17.519 0.628 -14.960 1.00 0.00 H new ATOM 2175 N GLN A 128 15.670 0.026 -17.094 1.00 0.00 N ATOM 2176 CA GLN A 128 15.173 -1.067 -18.003 1.00 0.00 C ATOM 2177 C GLN A 128 14.363 -0.444 -19.149 1.00 0.00 C ATOM 2178 O GLN A 128 14.496 -0.841 -20.290 1.00 0.00 O ATOM 2179 CB GLN A 128 14.280 -1.986 -17.153 1.00 0.00 C ATOM 2180 CG GLN A 128 13.822 -3.176 -17.998 1.00 0.00 C ATOM 2181 CD GLN A 128 13.642 -4.406 -17.097 1.00 0.00 C ATOM 2182 OE1 GLN A 128 12.542 -4.703 -16.677 1.00 0.00 O ATOM 2183 NE2 GLN A 128 14.680 -5.140 -16.779 1.00 0.00 N ATOM 0 H GLN A 128 15.249 0.051 -16.165 1.00 0.00 H new ATOM 0 HA GLN A 128 15.997 -1.633 -18.437 1.00 0.00 H new ATOM 0 HB2 GLN A 128 14.829 -2.337 -16.279 1.00 0.00 H new ATOM 0 HB3 GLN A 128 13.416 -1.433 -16.786 1.00 0.00 H new ATOM 0 HG2 GLN A 128 12.884 -2.939 -18.500 1.00 0.00 H new ATOM 0 HG3 GLN A 128 14.556 -3.387 -18.776 1.00 0.00 H new ATOM 0 HE21 GLN A 128 15.606 -4.894 -17.130 1.00 0.00 H new ATOM 0 HE22 GLN A 128 14.562 -5.958 -16.181 1.00 0.00 H new ATOM 2192 N LEU A 129 13.535 0.542 -18.859 1.00 0.00 N ATOM 2193 CA LEU A 129 12.738 1.190 -19.960 1.00 0.00 C ATOM 2194 C LEU A 129 13.692 1.892 -20.939 1.00 0.00 C ATOM 2195 O LEU A 129 13.489 1.851 -22.138 1.00 0.00 O ATOM 2196 CB LEU A 129 11.809 2.219 -19.298 1.00 0.00 C ATOM 2197 CG LEU A 129 10.482 1.551 -18.934 1.00 0.00 C ATOM 2198 CD1 LEU A 129 9.940 2.161 -17.641 1.00 0.00 C ATOM 2199 CD2 LEU A 129 9.473 1.773 -20.064 1.00 0.00 C ATOM 0 H LEU A 129 13.379 0.920 -17.925 1.00 0.00 H new ATOM 0 HA LEU A 129 12.160 0.452 -20.516 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.280 2.627 -18.404 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.634 3.055 -19.975 1.00 0.00 H new ATOM 0 HG LEU A 129 10.641 0.482 -18.792 1.00 0.00 H new ATOM 0 HD11 LEU A 129 8.994 1.684 -17.382 1.00 0.00 H new ATOM 0 HD12 LEU A 129 10.658 2.004 -16.836 1.00 0.00 H new ATOM 0 HD13 LEU A 129 9.781 3.230 -17.782 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.527 1.297 -19.806 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.315 2.842 -20.206 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.858 1.338 -20.986 1.00 0.00 H new ATOM 2211 N GLU A 130 14.737 2.533 -20.443 1.00 0.00 N ATOM 2212 CA GLU A 130 15.695 3.227 -21.379 1.00 0.00 C ATOM 2213 C GLU A 130 16.296 2.214 -22.368 1.00 0.00 C ATOM 2214 O GLU A 130 16.497 2.526 -23.527 1.00 0.00 O ATOM 2215 CB GLU A 130 16.805 3.838 -20.507 1.00 0.00 C ATOM 2216 CG GLU A 130 16.302 5.139 -19.878 1.00 0.00 C ATOM 2217 CD GLU A 130 17.495 6.025 -19.512 1.00 0.00 C ATOM 2218 OE1 GLU A 130 18.480 5.489 -19.031 1.00 0.00 O ATOM 2219 OE2 GLU A 130 17.402 7.223 -19.719 1.00 0.00 O ATOM 0 H GLU A 130 14.964 2.605 -19.451 1.00 0.00 H new ATOM 0 HA GLU A 130 15.186 3.996 -21.960 1.00 0.00 H new ATOM 0 HB2 GLU A 130 17.099 3.135 -19.728 1.00 0.00 H new ATOM 0 HB3 GLU A 130 17.691 4.033 -21.111 1.00 0.00 H new ATOM 0 HG2 GLU A 130 15.647 5.662 -20.575 1.00 0.00 H new ATOM 0 HG3 GLU A 130 15.711 4.920 -18.988 1.00 0.00 H new ATOM 2226 N GLU A 131 16.587 1.002 -21.928 1.00 0.00 N ATOM 2227 CA GLU A 131 17.176 -0.013 -22.878 1.00 0.00 C ATOM 2228 C GLU A 131 16.235 -0.240 -24.073 1.00 0.00 C ATOM 2229 O GLU A 131 16.686 -0.419 -25.189 1.00 0.00 O ATOM 2230 CB GLU A 131 17.346 -1.320 -22.085 1.00 0.00 C ATOM 2231 CG GLU A 131 18.168 -2.314 -22.908 1.00 0.00 C ATOM 2232 CD GLU A 131 18.033 -3.712 -22.304 1.00 0.00 C ATOM 2233 OE1 GLU A 131 16.917 -4.201 -22.233 1.00 0.00 O ATOM 2234 OE2 GLU A 131 19.048 -4.272 -21.923 1.00 0.00 O ATOM 0 H GLU A 131 16.446 0.676 -20.972 1.00 0.00 H new ATOM 0 HA GLU A 131 18.131 0.335 -23.272 1.00 0.00 H new ATOM 0 HB2 GLU A 131 17.843 -1.120 -21.136 1.00 0.00 H new ATOM 0 HB3 GLU A 131 16.370 -1.745 -21.851 1.00 0.00 H new ATOM 0 HG2 GLU A 131 17.824 -2.318 -23.942 1.00 0.00 H new ATOM 0 HG3 GLU A 131 19.215 -2.012 -22.922 1.00 0.00 H new ATOM 2241 N GLU A 132 14.936 -0.234 -23.854 1.00 0.00 N ATOM 2242 CA GLU A 132 13.988 -0.454 -25.007 1.00 0.00 C ATOM 2243 C GLU A 132 14.136 0.682 -26.029 1.00 0.00 C ATOM 2244 O GLU A 132 14.247 0.436 -27.215 1.00 0.00 O ATOM 2245 CB GLU A 132 12.567 -0.458 -24.422 1.00 0.00 C ATOM 2246 CG GLU A 132 12.233 -1.857 -23.899 1.00 0.00 C ATOM 2247 CD GLU A 132 12.797 -2.022 -22.487 1.00 0.00 C ATOM 2248 OE1 GLU A 132 13.990 -2.249 -22.369 1.00 0.00 O ATOM 2249 OE2 GLU A 132 12.026 -1.916 -21.546 1.00 0.00 O ATOM 0 H GLU A 132 14.495 -0.089 -22.946 1.00 0.00 H new ATOM 0 HA GLU A 132 14.201 -1.394 -25.517 1.00 0.00 H new ATOM 0 HB2 GLU A 132 12.493 0.271 -23.615 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.847 -0.162 -25.185 1.00 0.00 H new ATOM 0 HG2 GLU A 132 11.153 -2.005 -23.890 1.00 0.00 H new ATOM 0 HG3 GLU A 132 12.653 -2.614 -24.561 1.00 0.00 H new ATOM 2256 N ALA A 133 14.141 1.924 -25.585 1.00 0.00 N ATOM 2257 CA ALA A 133 14.289 3.059 -26.567 1.00 0.00 C ATOM 2258 C ALA A 133 15.636 2.941 -27.300 1.00 0.00 C ATOM 2259 O ALA A 133 15.716 3.180 -28.491 1.00 0.00 O ATOM 2260 CB ALA A 133 14.236 4.366 -25.757 1.00 0.00 C ATOM 0 H ALA A 133 14.051 2.198 -24.607 1.00 0.00 H new ATOM 0 HA ALA A 133 13.496 3.037 -27.315 1.00 0.00 H new ATOM 0 HB1 ALA A 133 14.340 5.216 -26.431 1.00 0.00 H new ATOM 0 HB2 ALA A 133 13.282 4.432 -25.234 1.00 0.00 H new ATOM 0 HB3 ALA A 133 15.049 4.377 -25.031 1.00 0.00 H new ATOM 2266 N ARG A 134 16.695 2.569 -26.605 1.00 0.00 N ATOM 2267 CA ARG A 134 18.032 2.438 -27.298 1.00 0.00 C ATOM 2268 C ARG A 134 17.946 1.391 -28.422 1.00 0.00 C ATOM 2269 O ARG A 134 18.544 1.561 -29.469 1.00 0.00 O ATOM 2270 CB ARG A 134 19.056 1.988 -26.238 1.00 0.00 C ATOM 2271 CG ARG A 134 19.862 3.197 -25.755 1.00 0.00 C ATOM 2272 CD ARG A 134 18.934 4.177 -25.032 1.00 0.00 C ATOM 2273 NE ARG A 134 18.550 5.181 -26.070 1.00 0.00 N ATOM 2274 CZ ARG A 134 19.418 6.077 -26.516 1.00 0.00 C ATOM 2275 NH1 ARG A 134 20.651 6.121 -26.063 1.00 0.00 N ATOM 2276 NH2 ARG A 134 19.048 6.941 -27.425 1.00 0.00 N ATOM 0 H ARG A 134 16.695 2.354 -25.608 1.00 0.00 H new ATOM 0 HA ARG A 134 18.328 3.388 -27.744 1.00 0.00 H new ATOM 0 HB2 ARG A 134 18.543 1.521 -25.397 1.00 0.00 H new ATOM 0 HB3 ARG A 134 19.725 1.238 -26.660 1.00 0.00 H new ATOM 0 HG2 ARG A 134 20.658 2.872 -25.085 1.00 0.00 H new ATOM 0 HG3 ARG A 134 20.340 3.690 -26.602 1.00 0.00 H new ATOM 0 HD2 ARG A 134 18.057 3.668 -24.631 1.00 0.00 H new ATOM 0 HD3 ARG A 134 19.439 4.652 -24.191 1.00 0.00 H new ATOM 0 HE ARG A 134 17.601 5.176 -26.443 1.00 0.00 H new ATOM 0 HH11 ARG A 134 20.957 5.456 -25.353 1.00 0.00 H new ATOM 0 HH12 ARG A 134 21.301 6.820 -26.422 1.00 0.00 H new ATOM 0 HH21 ARG A 134 18.095 6.923 -27.788 1.00 0.00 H new ATOM 0 HH22 ARG A 134 19.713 7.633 -27.772 1.00 0.00 H new ATOM 2290 N LYS A 135 17.209 0.313 -28.225 1.00 0.00 N ATOM 2291 CA LYS A 135 17.104 -0.724 -29.312 1.00 0.00 C ATOM 2292 C LYS A 135 15.966 -0.366 -30.281 1.00 0.00 C ATOM 2293 O LYS A 135 16.094 -0.542 -31.479 1.00 0.00 O ATOM 2294 CB LYS A 135 16.809 -2.059 -28.610 1.00 0.00 C ATOM 2295 CG LYS A 135 18.013 -2.464 -27.756 1.00 0.00 C ATOM 2296 CD LYS A 135 18.913 -3.408 -28.555 1.00 0.00 C ATOM 2297 CE LYS A 135 20.235 -3.607 -27.811 1.00 0.00 C ATOM 2298 NZ LYS A 135 21.166 -2.612 -28.411 1.00 0.00 N ATOM 0 H LYS A 135 16.685 0.110 -27.374 1.00 0.00 H new ATOM 0 HA LYS A 135 18.023 -0.780 -29.896 1.00 0.00 H new ATOM 0 HB2 LYS A 135 15.921 -1.965 -27.985 1.00 0.00 H new ATOM 0 HB3 LYS A 135 16.598 -2.832 -29.349 1.00 0.00 H new ATOM 0 HG2 LYS A 135 18.573 -1.579 -27.456 1.00 0.00 H new ATOM 0 HG3 LYS A 135 17.676 -2.953 -26.842 1.00 0.00 H new ATOM 0 HD2 LYS A 135 18.416 -4.368 -28.697 1.00 0.00 H new ATOM 0 HD3 LYS A 135 19.100 -2.996 -29.547 1.00 0.00 H new ATOM 0 HE2 LYS A 135 20.115 -3.440 -26.741 1.00 0.00 H new ATOM 0 HE3 LYS A 135 20.609 -4.623 -27.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 22.096 -2.686 -27.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 21.266 -2.800 -29.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 20.787 -1.654 -28.271 1.00 0.00 H new ATOM 2312 N LYS A 136 14.856 0.140 -29.781 1.00 0.00 N ATOM 2313 CA LYS A 136 13.721 0.510 -30.704 1.00 0.00 C ATOM 2314 C LYS A 136 14.075 1.746 -31.553 1.00 0.00 C ATOM 2315 O LYS A 136 13.551 1.914 -32.640 1.00 0.00 O ATOM 2316 CB LYS A 136 12.509 0.812 -29.809 1.00 0.00 C ATOM 2317 CG LYS A 136 11.221 0.652 -30.621 1.00 0.00 C ATOM 2318 CD LYS A 136 10.859 -0.831 -30.719 1.00 0.00 C ATOM 2319 CE LYS A 136 10.380 -1.334 -29.355 1.00 0.00 C ATOM 2320 NZ LYS A 136 8.894 -1.313 -29.437 1.00 0.00 N ATOM 0 H LYS A 136 14.686 0.311 -28.790 1.00 0.00 H new ATOM 0 HA LYS A 136 13.512 -0.304 -31.398 1.00 0.00 H new ATOM 0 HB2 LYS A 136 12.498 0.137 -28.953 1.00 0.00 H new ATOM 0 HB3 LYS A 136 12.579 1.826 -29.414 1.00 0.00 H new ATOM 0 HG2 LYS A 136 10.409 1.205 -30.148 1.00 0.00 H new ATOM 0 HG3 LYS A 136 11.353 1.071 -31.618 1.00 0.00 H new ATOM 0 HD2 LYS A 136 10.079 -0.977 -31.466 1.00 0.00 H new ATOM 0 HD3 LYS A 136 11.725 -1.406 -31.046 1.00 0.00 H new ATOM 0 HE2 LYS A 136 10.750 -2.339 -29.153 1.00 0.00 H new ATOM 0 HE3 LYS A 136 10.740 -0.694 -28.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 8.492 -1.645 -28.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 8.570 -0.342 -29.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 8.580 -1.937 -30.208 1.00 0.00 H new ATOM 2334 N GLY A 137 14.946 2.613 -31.080 1.00 0.00 N ATOM 2335 CA GLY A 137 15.307 3.825 -31.874 1.00 0.00 C ATOM 2336 C GLY A 137 14.387 4.999 -31.491 1.00 0.00 C ATOM 2337 O GLY A 137 14.082 5.838 -32.318 1.00 0.00 O ATOM 0 H GLY A 137 15.418 2.529 -30.180 1.00 0.00 H new ATOM 0 HA2 GLY A 137 16.348 4.093 -31.691 1.00 0.00 H new ATOM 0 HA3 GLY A 137 15.215 3.613 -32.939 1.00 0.00 H new ATOM 2341 N THR A 138 13.944 5.076 -30.249 1.00 0.00 N ATOM 2342 CA THR A 138 13.055 6.203 -29.837 1.00 0.00 C ATOM 2343 C THR A 138 13.448 6.687 -28.428 1.00 0.00 C ATOM 2344 O THR A 138 14.552 6.440 -27.980 1.00 0.00 O ATOM 2345 CB THR A 138 11.637 5.613 -29.851 1.00 0.00 C ATOM 2346 OG1 THR A 138 10.709 6.616 -29.464 1.00 0.00 O ATOM 2347 CG2 THR A 138 11.545 4.432 -28.879 1.00 0.00 C ATOM 0 H THR A 138 14.163 4.406 -29.512 1.00 0.00 H new ATOM 0 HA THR A 138 13.131 7.067 -30.497 1.00 0.00 H new ATOM 0 HB THR A 138 11.407 5.262 -30.857 1.00 0.00 H new ATOM 0 HG1 THR A 138 10.277 6.355 -28.624 1.00 0.00 H new ATOM 0 HG21 THR A 138 10.535 4.023 -28.898 1.00 0.00 H new ATOM 0 HG22 THR A 138 12.255 3.660 -29.176 1.00 0.00 H new ATOM 0 HG23 THR A 138 11.780 4.772 -27.870 1.00 0.00 H new ATOM 2355 N GLN A 139 12.566 7.371 -27.725 1.00 0.00 N ATOM 2356 CA GLN A 139 12.916 7.853 -26.355 1.00 0.00 C ATOM 2357 C GLN A 139 11.764 7.563 -25.379 1.00 0.00 C ATOM 2358 O GLN A 139 10.613 7.810 -25.688 1.00 0.00 O ATOM 2359 CB GLN A 139 13.125 9.361 -26.504 1.00 0.00 C ATOM 2360 CG GLN A 139 14.593 9.644 -26.834 1.00 0.00 C ATOM 2361 CD GLN A 139 14.763 9.767 -28.352 1.00 0.00 C ATOM 2362 OE1 GLN A 139 13.847 10.168 -29.043 1.00 0.00 O ATOM 2363 NE2 GLN A 139 15.902 9.437 -28.912 1.00 0.00 N ATOM 0 H GLN A 139 11.627 7.611 -28.044 1.00 0.00 H new ATOM 0 HA GLN A 139 13.802 7.357 -25.958 1.00 0.00 H new ATOM 0 HB2 GLN A 139 12.482 9.752 -27.293 1.00 0.00 H new ATOM 0 HB3 GLN A 139 12.844 9.870 -25.582 1.00 0.00 H new ATOM 0 HG2 GLN A 139 14.915 10.564 -26.346 1.00 0.00 H new ATOM 0 HG3 GLN A 139 15.224 8.842 -26.451 1.00 0.00 H new ATOM 0 HE21 GLN A 139 16.674 9.100 -28.337 1.00 0.00 H new ATOM 0 HE22 GLN A 139 16.016 9.517 -29.922 1.00 0.00 H new ATOM 2372 N VAL A 140 12.061 7.048 -24.202 1.00 0.00 N ATOM 2373 CA VAL A 140 10.974 6.756 -23.217 1.00 0.00 C ATOM 2374 C VAL A 140 11.206 7.551 -21.923 1.00 0.00 C ATOM 2375 O VAL A 140 12.308 7.998 -21.662 1.00 0.00 O ATOM 2376 CB VAL A 140 11.049 5.245 -22.950 1.00 0.00 C ATOM 2377 CG1 VAL A 140 12.400 4.875 -22.312 1.00 0.00 C ATOM 2378 CG2 VAL A 140 9.909 4.853 -22.005 1.00 0.00 C ATOM 0 H VAL A 140 13.004 6.821 -23.888 1.00 0.00 H new ATOM 0 HA VAL A 140 9.993 7.043 -23.596 1.00 0.00 H new ATOM 0 HB VAL A 140 10.956 4.709 -23.894 1.00 0.00 H new ATOM 0 HG11 VAL A 140 12.435 3.801 -22.130 1.00 0.00 H new ATOM 0 HG12 VAL A 140 13.210 5.155 -22.986 1.00 0.00 H new ATOM 0 HG13 VAL A 140 12.514 5.407 -21.367 1.00 0.00 H new ATOM 0 HG21 VAL A 140 9.952 3.782 -21.808 1.00 0.00 H new ATOM 0 HG22 VAL A 140 10.010 5.399 -21.067 1.00 0.00 H new ATOM 0 HG23 VAL A 140 8.953 5.099 -22.467 1.00 0.00 H new ATOM 2388 N SER A 141 10.185 7.733 -21.108 1.00 0.00 N ATOM 2389 CA SER A 141 10.379 8.505 -19.838 1.00 0.00 C ATOM 2390 C SER A 141 9.158 8.371 -18.909 1.00 0.00 C ATOM 2391 O SER A 141 8.323 9.255 -18.849 1.00 0.00 O ATOM 2392 CB SER A 141 10.552 9.952 -20.289 1.00 0.00 C ATOM 2393 OG SER A 141 10.646 10.794 -19.147 1.00 0.00 O ATOM 0 H SER A 141 9.240 7.384 -21.267 1.00 0.00 H new ATOM 0 HA SER A 141 11.233 8.139 -19.268 1.00 0.00 H new ATOM 0 HB2 SER A 141 11.449 10.049 -20.901 1.00 0.00 H new ATOM 0 HB3 SER A 141 9.708 10.255 -20.909 1.00 0.00 H new ATOM 0 HG SER A 141 10.759 11.724 -19.435 1.00 0.00 H new ATOM 2399 N PHE A 142 9.052 7.281 -18.174 1.00 0.00 N ATOM 2400 CA PHE A 142 7.885 7.117 -17.244 1.00 0.00 C ATOM 2401 C PHE A 142 8.216 7.754 -15.877 1.00 0.00 C ATOM 2402 O PHE A 142 9.366 7.952 -15.538 1.00 0.00 O ATOM 2403 CB PHE A 142 7.660 5.592 -17.114 1.00 0.00 C ATOM 2404 CG PHE A 142 6.771 5.278 -15.923 1.00 0.00 C ATOM 2405 CD1 PHE A 142 5.381 5.439 -16.001 1.00 0.00 C ATOM 2406 CD2 PHE A 142 7.353 4.841 -14.731 1.00 0.00 C ATOM 2407 CE1 PHE A 142 4.580 5.155 -14.882 1.00 0.00 C ATOM 2408 CE2 PHE A 142 6.559 4.563 -13.626 1.00 0.00 C ATOM 2409 CZ PHE A 142 5.175 4.715 -13.692 1.00 0.00 C ATOM 0 H PHE A 142 9.717 6.507 -18.179 1.00 0.00 H new ATOM 0 HA PHE A 142 6.986 7.610 -17.615 1.00 0.00 H new ATOM 0 HB2 PHE A 142 7.203 5.208 -18.026 1.00 0.00 H new ATOM 0 HB3 PHE A 142 8.619 5.087 -17.001 1.00 0.00 H new ATOM 0 HD1 PHE A 142 4.926 5.781 -16.919 1.00 0.00 H new ATOM 0 HD2 PHE A 142 8.424 4.719 -14.668 1.00 0.00 H new ATOM 0 HE1 PHE A 142 3.508 5.276 -14.939 1.00 0.00 H new ATOM 0 HE2 PHE A 142 7.018 4.226 -12.708 1.00 0.00 H new ATOM 0 HZ PHE A 142 4.564 4.495 -12.829 1.00 0.00 H new ATOM 2419 N HIS A 143 7.206 8.056 -15.091 1.00 0.00 N ATOM 2420 CA HIS A 143 7.445 8.658 -13.746 1.00 0.00 C ATOM 2421 C HIS A 143 6.522 7.982 -12.722 1.00 0.00 C ATOM 2422 O HIS A 143 6.980 7.356 -11.784 1.00 0.00 O ATOM 2423 CB HIS A 143 7.092 10.137 -13.901 1.00 0.00 C ATOM 2424 CG HIS A 143 8.295 10.889 -14.398 1.00 0.00 C ATOM 2425 ND1 HIS A 143 8.184 12.018 -15.195 1.00 0.00 N ATOM 2426 CD2 HIS A 143 9.641 10.686 -14.221 1.00 0.00 C ATOM 2427 CE1 HIS A 143 9.431 12.447 -15.466 1.00 0.00 C ATOM 2428 NE2 HIS A 143 10.356 11.671 -14.896 1.00 0.00 N ATOM 0 H HIS A 143 6.225 7.909 -15.328 1.00 0.00 H new ATOM 0 HA HIS A 143 8.470 8.530 -13.399 1.00 0.00 H new ATOM 0 HB2 HIS A 143 6.263 10.253 -14.599 1.00 0.00 H new ATOM 0 HB3 HIS A 143 6.763 10.546 -12.945 1.00 0.00 H new ATOM 0 HD2 HIS A 143 10.079 9.884 -13.645 1.00 0.00 H new ATOM 0 HE1 HIS A 143 9.656 13.313 -16.071 1.00 0.00 H new ATOM 0 HE2 HIS A 143 11.369 11.777 -14.945 1.00 0.00 H new ATOM 2436 N GLN A 144 5.226 8.090 -12.906 1.00 0.00 N ATOM 2437 CA GLN A 144 4.269 7.444 -11.962 1.00 0.00 C ATOM 2438 C GLN A 144 3.157 6.744 -12.758 1.00 0.00 C ATOM 2439 O GLN A 144 2.852 7.136 -13.869 1.00 0.00 O ATOM 2440 CB GLN A 144 3.694 8.590 -11.117 1.00 0.00 C ATOM 2441 CG GLN A 144 3.036 9.640 -12.020 1.00 0.00 C ATOM 2442 CD GLN A 144 4.045 10.751 -12.333 1.00 0.00 C ATOM 2443 OE1 GLN A 144 4.332 11.013 -13.485 1.00 0.00 O ATOM 2444 NE2 GLN A 144 4.604 11.423 -11.356 1.00 0.00 N ATOM 0 H GLN A 144 4.792 8.601 -13.675 1.00 0.00 H new ATOM 0 HA GLN A 144 4.745 6.689 -11.336 1.00 0.00 H new ATOM 0 HB2 GLN A 144 2.962 8.198 -10.411 1.00 0.00 H new ATOM 0 HB3 GLN A 144 4.488 9.052 -10.530 1.00 0.00 H new ATOM 0 HG2 GLN A 144 2.692 9.176 -12.944 1.00 0.00 H new ATOM 0 HG3 GLN A 144 2.158 10.059 -11.528 1.00 0.00 H new ATOM 0 HE21 GLN A 144 4.367 11.207 -10.388 1.00 0.00 H new ATOM 0 HE22 GLN A 144 5.276 12.162 -11.564 1.00 0.00 H new ATOM 2453 N CYS A 145 2.549 5.713 -12.209 1.00 0.00 N ATOM 2454 CA CYS A 145 1.458 5.008 -12.969 1.00 0.00 C ATOM 2455 C CYS A 145 0.073 5.546 -12.568 1.00 0.00 C ATOM 2456 O CYS A 145 -0.101 6.085 -11.491 1.00 0.00 O ATOM 2457 CB CYS A 145 1.595 3.502 -12.662 1.00 0.00 C ATOM 2458 SG CYS A 145 1.231 3.133 -10.916 1.00 0.00 S ATOM 0 H CYS A 145 2.755 5.334 -11.285 1.00 0.00 H new ATOM 0 HA CYS A 145 1.554 5.183 -14.041 1.00 0.00 H new ATOM 0 HB2 CYS A 145 0.917 2.937 -13.302 1.00 0.00 H new ATOM 0 HB3 CYS A 145 2.606 3.173 -12.900 1.00 0.00 H new ATOM 0 HG CYS A 145 2.122 2.308 -10.452 1.00 0.00 H new ATOM 2463 N VAL A 146 -0.913 5.415 -13.436 1.00 0.00 N ATOM 2464 CA VAL A 146 -2.287 5.940 -13.097 1.00 0.00 C ATOM 2465 C VAL A 146 -3.002 5.048 -12.062 1.00 0.00 C ATOM 2466 O VAL A 146 -3.861 5.523 -11.344 1.00 0.00 O ATOM 2467 CB VAL A 146 -3.091 5.990 -14.414 1.00 0.00 C ATOM 2468 CG1 VAL A 146 -2.349 6.865 -15.426 1.00 0.00 C ATOM 2469 CG2 VAL A 146 -3.262 4.579 -14.997 1.00 0.00 C ATOM 0 H VAL A 146 -0.829 4.974 -14.352 1.00 0.00 H new ATOM 0 HA VAL A 146 -2.205 6.929 -12.647 1.00 0.00 H new ATOM 0 HB VAL A 146 -4.076 6.407 -14.207 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -2.914 6.903 -16.358 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -2.242 7.873 -15.026 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -1.362 6.443 -15.617 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -3.831 4.635 -15.925 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -2.282 4.147 -15.198 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -3.795 3.952 -14.282 1.00 0.00 H new ATOM 2479 N HIS A 147 -2.673 3.766 -11.972 1.00 0.00 N ATOM 2480 CA HIS A 147 -3.373 2.884 -10.958 1.00 0.00 C ATOM 2481 C HIS A 147 -3.316 3.536 -9.562 1.00 0.00 C ATOM 2482 O HIS A 147 -4.318 3.627 -8.877 1.00 0.00 O ATOM 2483 CB HIS A 147 -2.628 1.532 -10.949 1.00 0.00 C ATOM 2484 CG HIS A 147 -2.713 0.856 -12.303 1.00 0.00 C ATOM 2485 ND1 HIS A 147 -3.627 1.232 -13.288 1.00 0.00 N ATOM 2486 CD2 HIS A 147 -1.995 -0.186 -12.849 1.00 0.00 C ATOM 2487 CE1 HIS A 147 -3.428 0.432 -14.351 1.00 0.00 C ATOM 2488 NE2 HIS A 147 -2.449 -0.447 -14.138 1.00 0.00 N ATOM 0 H HIS A 147 -1.967 3.301 -12.543 1.00 0.00 H new ATOM 0 HA HIS A 147 -4.423 2.746 -11.217 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -1.583 1.690 -10.683 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -3.056 0.882 -10.186 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -1.199 -0.720 -12.351 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -3.994 0.495 -15.268 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -2.106 -1.159 -14.783 1.00 0.00 H new ATOM 2496 N CYS A 148 -2.156 3.993 -9.137 1.00 0.00 N ATOM 2497 CA CYS A 148 -2.046 4.638 -7.800 1.00 0.00 C ATOM 2498 C CYS A 148 -1.155 5.894 -7.864 1.00 0.00 C ATOM 2499 O CYS A 148 -0.788 6.345 -8.933 1.00 0.00 O ATOM 2500 CB CYS A 148 -1.411 3.560 -6.924 1.00 0.00 C ATOM 2501 SG CYS A 148 0.265 3.152 -7.502 1.00 0.00 S ATOM 0 H CYS A 148 -1.285 3.943 -9.665 1.00 0.00 H new ATOM 0 HA CYS A 148 -3.008 4.977 -7.417 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -1.369 3.904 -5.891 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -2.032 2.664 -6.937 1.00 0.00 H new ATOM 0 HG CYS A 148 0.308 3.230 -8.799 1.00 0.00 H new ATOM 2506 N GLY A 149 -0.783 6.441 -6.725 1.00 0.00 N ATOM 2507 CA GLY A 149 0.107 7.639 -6.719 1.00 0.00 C ATOM 2508 C GLY A 149 1.539 7.153 -6.457 1.00 0.00 C ATOM 2509 O GLY A 149 2.175 7.563 -5.504 1.00 0.00 O ATOM 0 H GLY A 149 -1.061 6.105 -5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 149 0.049 8.163 -7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -0.205 8.344 -5.948 1.00 0.00 H new ATOM 2513 N CYS A 150 2.044 6.266 -7.289 1.00 0.00 N ATOM 2514 CA CYS A 150 3.431 5.735 -7.078 1.00 0.00 C ATOM 2515 C CYS A 150 4.421 6.502 -7.967 1.00 0.00 C ATOM 2516 O CYS A 150 4.120 6.814 -9.101 1.00 0.00 O ATOM 2517 CB CYS A 150 3.340 4.246 -7.477 1.00 0.00 C ATOM 2518 SG CYS A 150 4.975 3.463 -7.537 1.00 0.00 S ATOM 0 H CYS A 150 1.556 5.889 -8.102 1.00 0.00 H new ATOM 0 HA CYS A 150 3.786 5.851 -6.054 1.00 0.00 H new ATOM 0 HB2 CYS A 150 2.709 3.716 -6.763 1.00 0.00 H new ATOM 0 HB3 CYS A 150 2.860 4.160 -8.452 1.00 0.00 H new ATOM 0 HG CYS A 150 4.955 2.482 -8.389 1.00 0.00 H new ATOM 2523 N ARG A 151 5.606 6.793 -7.468 1.00 0.00 N ATOM 2524 CA ARG A 151 6.606 7.528 -8.309 1.00 0.00 C ATOM 2525 C ARG A 151 7.579 6.523 -8.945 1.00 0.00 C ATOM 2526 O ARG A 151 8.783 6.669 -8.844 1.00 0.00 O ATOM 2527 CB ARG A 151 7.351 8.472 -7.355 1.00 0.00 C ATOM 2528 CG ARG A 151 7.588 9.817 -8.045 1.00 0.00 C ATOM 2529 CD ARG A 151 8.717 9.674 -9.069 1.00 0.00 C ATOM 2530 NE ARG A 151 8.573 10.859 -9.970 1.00 0.00 N ATOM 2531 CZ ARG A 151 8.967 12.064 -9.589 1.00 0.00 C ATOM 2532 NH1 ARG A 151 9.500 12.271 -8.406 1.00 0.00 N ATOM 2533 NH2 ARG A 151 8.824 13.078 -10.404 1.00 0.00 N ATOM 0 H ARG A 151 5.918 6.555 -6.526 1.00 0.00 H new ATOM 0 HA ARG A 151 6.131 8.085 -9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 151 6.771 8.617 -6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 151 8.303 8.030 -7.060 1.00 0.00 H new ATOM 0 HG2 ARG A 151 6.675 10.150 -8.539 1.00 0.00 H new ATOM 0 HG3 ARG A 151 7.846 10.576 -7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 151 9.692 9.664 -8.583 1.00 0.00 H new ATOM 0 HD3 ARG A 151 8.629 8.741 -9.626 1.00 0.00 H new ATOM 0 HE ARG A 151 8.163 10.736 -10.896 1.00 0.00 H new ATOM 0 HH11 ARG A 151 9.618 11.493 -7.757 1.00 0.00 H new ATOM 0 HH12 ARG A 151 9.795 13.209 -8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 151 8.411 12.937 -11.326 1.00 0.00 H new ATOM 0 HH22 ARG A 151 9.125 14.009 -10.117 1.00 0.00 H new ATOM 2547 N GLY A 152 7.065 5.501 -9.601 1.00 0.00 N ATOM 2548 CA GLY A 152 7.955 4.493 -10.237 1.00 0.00 C ATOM 2549 C GLY A 152 8.677 3.678 -9.153 1.00 0.00 C ATOM 2550 O GLY A 152 9.679 4.110 -8.614 1.00 0.00 O ATOM 0 H GLY A 152 6.066 5.330 -9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 152 7.371 3.830 -10.875 1.00 0.00 H new ATOM 0 HA3 GLY A 152 8.684 4.990 -10.877 1.00 0.00 H new ATOM 2554 N CYS A 153 8.182 2.498 -8.831 1.00 0.00 N ATOM 2555 CA CYS A 153 8.855 1.663 -7.786 1.00 0.00 C ATOM 2556 C CYS A 153 9.527 0.436 -8.432 1.00 0.00 C ATOM 2557 O CYS A 153 8.911 -0.280 -9.198 1.00 0.00 O ATOM 2558 CB CYS A 153 7.746 1.258 -6.790 1.00 0.00 C ATOM 2559 SG CYS A 153 6.546 0.117 -7.543 1.00 0.00 S ATOM 0 H CYS A 153 7.347 2.084 -9.246 1.00 0.00 H new ATOM 0 HA CYS A 153 9.649 2.207 -7.273 1.00 0.00 H new ATOM 0 HB2 CYS A 153 8.196 0.787 -5.916 1.00 0.00 H new ATOM 0 HB3 CYS A 153 7.228 2.151 -6.440 1.00 0.00 H new ATOM 0 HG CYS A 153 7.100 -0.494 -8.548 1.00 0.00 H new ATOM 2564 N ALA A 154 10.788 0.194 -8.137 1.00 0.00 N ATOM 2565 CA ALA A 154 11.490 -0.980 -8.743 1.00 0.00 C ATOM 2566 C ALA A 154 12.494 -1.572 -7.743 1.00 0.00 C ATOM 2567 O ALA A 154 13.067 -0.857 -6.943 1.00 0.00 O ATOM 2568 CB ALA A 154 12.216 -0.419 -9.963 1.00 0.00 C ATOM 0 H ALA A 154 11.355 0.759 -7.505 1.00 0.00 H new ATOM 0 HA ALA A 154 10.801 -1.781 -9.011 1.00 0.00 H new ATOM 0 HB1 ALA A 154 12.757 -1.221 -10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 154 11.490 0.015 -10.651 1.00 0.00 H new ATOM 0 HB3 ALA A 154 12.920 0.351 -9.646 1.00 0.00 H new ATOM 2574 N SER A 155 12.713 -2.871 -7.777 1.00 0.00 N ATOM 2575 CA SER A 155 13.683 -3.488 -6.816 1.00 0.00 C ATOM 2576 C SER A 155 14.976 -3.907 -7.540 1.00 0.00 C ATOM 2577 O SER A 155 16.063 -3.608 -7.080 1.00 0.00 O ATOM 2578 CB SER A 155 12.968 -4.715 -6.244 1.00 0.00 C ATOM 2579 OG SER A 155 11.564 -4.470 -6.215 1.00 0.00 O ATOM 0 H SER A 155 12.266 -3.522 -8.423 1.00 0.00 H new ATOM 0 HA SER A 155 13.974 -2.787 -6.034 1.00 0.00 H new ATOM 0 HB2 SER A 155 13.183 -5.593 -6.853 1.00 0.00 H new ATOM 0 HB3 SER A 155 13.333 -4.927 -5.239 1.00 0.00 H new ATOM 0 HG SER A 155 11.103 -5.254 -5.851 1.00 0.00 H new