USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 698 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 84 MET CE :methyl -104:sc= -0.836 (180deg=-4.07!) USER MOD Set 1.2: A 86 CYS SG : rot 92:sc= 0.973 USER MOD Set 2.1: A 50 ASN : amide:sc= -4.32! C(o=-7.8!,f=-16!) USER MOD Set 2.2: A 69 MET CE :methyl -114:sc= -3.45 (180deg=-6.7!) USER MOD Set 3.1: A 30 THR OG1 : rot -76:sc= -2.95 USER MOD Set 3.2: A 33 SER OG : rot 180:sc= -0.496 USER MOD Single : A 22 ASN : amide:sc= 0.365! C(o=0.37!,f=-5.7!) USER MOD Single : A 28 ASN : amide:sc= -0.258 K(o=-0.26,f=-3.9!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.039) USER MOD Single : A 35 THR OG1 : rot -170:sc= -0.758 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.408 K(o=-0.41,f=-1.6) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.0554 F(o=-0.75,f=-0.055) USER MOD Single : A 67 CYS SG : rot 111:sc= 0.419 USER MOD Single : A 68 TYR OH : rot 54:sc= -0.92 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0538 K(o=-0.054,f=-1.3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 25:sc= 0.0402 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -149:sc= 0.429 USER MOD Single : A 94 ASN : amide:sc= -4.15! C(o=-4.2!,f=-12!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -67:sc= -0.177 USER MOD Single : A 102 SER OG : rot 100:sc= 0.489 USER MOD Single : A 107 TYR OH : rot -157:sc= 0.205 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -153:sc= -0.417 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 1.925 13.442 -0.053 1.00 0.00 N ATOM 215 CA PRO A 18 1.247 12.833 -1.201 1.00 0.00 C ATOM 216 C PRO A 18 -0.018 12.084 -0.797 1.00 0.00 C ATOM 217 O PRO A 18 -0.252 11.834 0.386 1.00 0.00 O ATOM 218 CB PRO A 18 2.291 11.860 -1.754 1.00 0.00 C ATOM 219 CG PRO A 18 3.159 11.533 -0.589 1.00 0.00 C ATOM 220 CD PRO A 18 3.200 12.774 0.259 1.00 0.00 C ATOM 0 HA PRO A 18 0.916 13.580 -1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.821 10.965 -2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.866 12.313 -2.561 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.757 10.690 -0.027 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.160 11.250 -0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.279 12.534 1.319 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.055 13.403 0.010 1.00 0.00 H new ATOM 228 N ASP A 19 -0.831 11.728 -1.786 1.00 0.00 N ATOM 229 CA ASP A 19 -2.072 11.006 -1.533 1.00 0.00 C ATOM 230 C ASP A 19 -1.787 9.595 -1.028 1.00 0.00 C ATOM 231 O ASP A 19 -0.727 9.030 -1.300 1.00 0.00 O ATOM 232 CB ASP A 19 -2.919 10.944 -2.805 1.00 0.00 C ATOM 233 CG ASP A 19 -4.403 10.853 -2.509 1.00 0.00 C ATOM 234 OD1 ASP A 19 -4.814 11.269 -1.405 1.00 0.00 O ATOM 235 OD2 ASP A 19 -5.154 10.365 -3.380 1.00 0.00 O ATOM 0 H ASP A 19 -0.653 11.928 -2.770 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.625 11.543 -0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.726 11.830 -3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.616 10.081 -3.398 1.00 0.00 H new ATOM 240 N ILE A 20 -2.738 9.033 -0.290 1.00 0.00 N ATOM 241 CA ILE A 20 -2.588 7.689 0.254 1.00 0.00 C ATOM 242 C ILE A 20 -2.636 6.640 -0.853 1.00 0.00 C ATOM 243 O ILE A 20 -3.625 6.507 -1.574 1.00 0.00 O ATOM 244 CB ILE A 20 -3.683 7.375 1.290 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.592 8.346 2.470 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.561 5.937 1.771 1.00 0.00 C ATOM 247 CD1 ILE A 20 -4.811 8.325 3.365 1.00 0.00 C ATOM 0 H ILE A 20 -3.620 9.487 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.615 7.654 0.744 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.657 7.498 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.711 8.102 3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.449 9.357 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.342 5.731 2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.669 5.260 0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.584 5.789 2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.677 9.037 4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.693 8.599 2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.943 7.324 3.776 1.00 0.00 H new ATOM 259 N PRO A 21 -1.543 5.875 -0.990 1.00 0.00 N ATOM 260 CA PRO A 21 -1.437 4.822 -2.005 1.00 0.00 C ATOM 261 C PRO A 21 -2.349 3.637 -1.709 1.00 0.00 C ATOM 262 O PRO A 21 -2.815 3.466 -0.583 1.00 0.00 O ATOM 263 CB PRO A 21 0.032 4.399 -1.925 1.00 0.00 C ATOM 264 CG PRO A 21 0.451 4.746 -0.537 1.00 0.00 C ATOM 265 CD PRO A 21 -0.328 5.978 -0.166 1.00 0.00 C ATOM 0 HA PRO A 21 -1.741 5.174 -2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.148 3.333 -2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.636 4.925 -2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.238 3.928 0.151 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.524 4.933 -0.488 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.565 5.998 0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.231 6.888 -0.386 1.00 0.00 H new ATOM 273 N ASN A 22 -2.600 2.820 -2.727 1.00 0.00 N ATOM 274 CA ASN A 22 -3.458 1.651 -2.575 1.00 0.00 C ATOM 275 C ASN A 22 -2.723 0.528 -1.850 1.00 0.00 C ATOM 276 O ASN A 22 -1.494 0.446 -1.864 1.00 0.00 O ATOM 277 CB ASN A 22 -3.936 1.161 -3.944 1.00 0.00 C ATOM 278 CG ASN A 22 -4.058 2.289 -4.951 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.123 3.066 -5.146 1.00 0.00 O ATOM 280 ND2 ASN A 22 -5.215 2.383 -5.595 1.00 0.00 N ATOM 0 H ASN A 22 -2.221 2.946 -3.666 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.323 1.941 -1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.239 0.413 -4.323 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.903 0.670 -3.834 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.357 3.122 -6.284 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.962 1.716 -5.401 1.00 0.00 H new ATOM 287 N PRO A 23 -3.491 -0.359 -1.199 1.00 0.00 N ATOM 288 CA PRO A 23 -2.934 -1.494 -0.457 1.00 0.00 C ATOM 289 C PRO A 23 -2.327 -2.547 -1.377 1.00 0.00 C ATOM 290 O PRO A 23 -2.787 -2.766 -2.498 1.00 0.00 O ATOM 291 CB PRO A 23 -4.148 -2.064 0.281 1.00 0.00 C ATOM 292 CG PRO A 23 -5.320 -1.656 -0.544 1.00 0.00 C ATOM 293 CD PRO A 23 -4.962 -0.322 -1.140 1.00 0.00 C ATOM 0 HA PRO A 23 -2.120 -1.191 0.202 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.084 -3.149 0.369 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.219 -1.666 1.293 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.523 -2.390 -1.324 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.220 -1.582 0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.401 -0.193 -2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.319 0.503 -0.523 1.00 0.00 H new ATOM 301 N PRO A 24 -1.269 -3.216 -0.895 1.00 0.00 N ATOM 302 CA PRO A 24 -0.577 -4.258 -1.658 1.00 0.00 C ATOM 303 C PRO A 24 -1.423 -5.517 -1.820 1.00 0.00 C ATOM 304 O PRO A 24 -2.252 -5.833 -0.966 1.00 0.00 O ATOM 305 CB PRO A 24 0.664 -4.553 -0.812 1.00 0.00 C ATOM 306 CG PRO A 24 0.277 -4.168 0.574 1.00 0.00 C ATOM 307 CD PRO A 24 -0.668 -3.007 0.433 1.00 0.00 C ATOM 0 HA PRO A 24 -0.350 -3.936 -2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.940 -5.606 -0.868 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.524 -3.979 -1.157 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.201 -5.000 1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.153 -3.889 1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.422 -3.005 1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.144 -2.053 0.491 1.00 0.00 H new ATOM 315 N ARG A 25 -1.208 -6.232 -2.920 1.00 0.00 N ATOM 316 CA ARG A 25 -1.951 -7.455 -3.193 1.00 0.00 C ATOM 317 C ARG A 25 -1.088 -8.686 -2.930 1.00 0.00 C ATOM 318 O ARG A 25 0.096 -8.570 -2.616 1.00 0.00 O ATOM 319 CB ARG A 25 -2.445 -7.465 -4.641 1.00 0.00 C ATOM 320 CG ARG A 25 -1.363 -7.133 -5.656 1.00 0.00 C ATOM 321 CD ARG A 25 -1.842 -7.370 -7.079 1.00 0.00 C ATOM 322 NE ARG A 25 -1.055 -6.620 -8.054 1.00 0.00 N ATOM 323 CZ ARG A 25 -1.214 -5.321 -8.283 1.00 0.00 C ATOM 324 NH1 ARG A 25 -2.126 -4.632 -7.612 1.00 0.00 N ATOM 325 NH2 ARG A 25 -0.459 -4.708 -9.187 1.00 0.00 N ATOM 0 H ARG A 25 -0.525 -5.985 -3.636 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.810 -7.485 -2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.856 -8.449 -4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.259 -6.748 -4.743 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.062 -6.092 -5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.481 -7.743 -5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.784 -8.434 -7.308 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.890 -7.083 -7.161 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.345 -7.121 -8.588 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.709 -5.099 -6.917 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.245 -3.635 -7.791 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.244 -5.234 -9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.582 -3.711 -9.362 1.00 0.00 H new ATOM 339 N ILE A 26 -1.691 -9.863 -3.061 1.00 0.00 N ATOM 340 CA ILE A 26 -0.977 -11.115 -2.838 1.00 0.00 C ATOM 341 C ILE A 26 -0.578 -11.763 -4.160 1.00 0.00 C ATOM 342 O ILE A 26 -1.426 -12.043 -5.006 1.00 0.00 O ATOM 343 CB ILE A 26 -1.827 -12.111 -2.027 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.738 -11.792 -0.533 1.00 0.00 C ATOM 345 CG2 ILE A 26 -1.373 -13.537 -2.298 1.00 0.00 C ATOM 346 CD1 ILE A 26 -0.393 -12.121 0.076 1.00 0.00 C ATOM 0 H ILE A 26 -2.671 -9.976 -3.320 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.079 -10.870 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.867 -12.017 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.946 -10.733 -0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.513 -12.347 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.983 -14.229 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.483 -13.758 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.327 -13.647 -2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.402 -11.869 1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.191 -13.185 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.385 -11.546 -0.427 1.00 0.00 H new ATOM 358 N ALA A 27 0.719 -11.999 -4.329 1.00 0.00 N ATOM 359 CA ALA A 27 1.231 -12.617 -5.545 1.00 0.00 C ATOM 360 C ALA A 27 1.775 -14.014 -5.264 1.00 0.00 C ATOM 361 O ALA A 27 2.032 -14.787 -6.186 1.00 0.00 O ATOM 362 CB ALA A 27 2.310 -11.744 -6.168 1.00 0.00 C ATOM 0 H ALA A 27 1.434 -11.771 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 27 0.405 -12.712 -6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.683 -12.219 -7.076 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.891 -10.768 -6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.130 -11.619 -5.461 1.00 0.00 H new ATOM 368 N ASN A 28 1.949 -14.329 -3.985 1.00 0.00 N ATOM 369 CA ASN A 28 2.465 -15.633 -3.583 1.00 0.00 C ATOM 370 C ASN A 28 2.393 -15.802 -2.068 1.00 0.00 C ATOM 371 O ASN A 28 2.994 -15.032 -1.318 1.00 0.00 O ATOM 372 CB ASN A 28 3.909 -15.803 -4.059 1.00 0.00 C ATOM 373 CG ASN A 28 4.437 -17.203 -3.814 1.00 0.00 C ATOM 374 OD1 ASN A 28 3.738 -18.055 -3.265 1.00 0.00 O ATOM 375 ND2 ASN A 28 5.677 -17.447 -4.222 1.00 0.00 N ATOM 0 H ASN A 28 1.741 -13.700 -3.209 1.00 0.00 H new ATOM 0 HA ASN A 28 1.845 -16.400 -4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.967 -15.577 -5.124 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.545 -15.082 -3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.086 -18.371 -4.085 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.220 -16.710 -4.673 1.00 0.00 H new ATOM 382 N ARG A 29 1.656 -16.815 -1.625 1.00 0.00 N ATOM 383 CA ARG A 29 1.506 -17.086 -0.200 1.00 0.00 C ATOM 384 C ARG A 29 2.095 -18.446 0.160 1.00 0.00 C ATOM 385 O ARG A 29 1.729 -19.468 -0.422 1.00 0.00 O ATOM 386 CB ARG A 29 0.029 -17.036 0.197 1.00 0.00 C ATOM 387 CG ARG A 29 -0.517 -15.625 0.337 1.00 0.00 C ATOM 388 CD ARG A 29 -1.869 -15.617 1.033 1.00 0.00 C ATOM 389 NE ARG A 29 -2.969 -15.815 0.094 1.00 0.00 N ATOM 390 CZ ARG A 29 -4.233 -15.512 0.368 1.00 0.00 C ATOM 391 NH1 ARG A 29 -4.554 -15.000 1.548 1.00 0.00 N ATOM 392 NH2 ARG A 29 -5.179 -15.722 -0.539 1.00 0.00 N ATOM 0 H ARG A 29 1.153 -17.462 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 29 2.049 -16.318 0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.557 -17.571 -0.550 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.102 -17.563 1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.188 -15.015 0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.612 -15.171 -0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.892 -16.402 1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.003 -14.669 1.554 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.755 -16.208 -0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.830 -14.838 2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.525 -14.768 1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.936 -16.116 -1.448 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.149 -15.489 -0.327 1.00 0.00 H new ATOM 406 N THR A 30 3.011 -18.452 1.124 1.00 0.00 N ATOM 407 CA THR A 30 3.653 -19.686 1.560 1.00 0.00 C ATOM 408 C THR A 30 3.714 -19.765 3.081 1.00 0.00 C ATOM 409 O THR A 30 3.779 -18.743 3.765 1.00 0.00 O ATOM 410 CB THR A 30 5.080 -19.808 0.993 1.00 0.00 C ATOM 411 OG1 THR A 30 5.841 -18.641 1.326 1.00 0.00 O ATOM 412 CG2 THR A 30 5.049 -19.986 -0.517 1.00 0.00 C ATOM 0 H THR A 30 3.325 -17.616 1.617 1.00 0.00 H new ATOM 0 HA THR A 30 3.048 -20.509 1.180 1.00 0.00 H new ATOM 0 HB THR A 30 5.550 -20.686 1.436 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.570 -17.898 0.747 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.068 -20.070 -0.894 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.494 -20.891 -0.765 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.562 -19.125 -0.975 1.00 0.00 H new ATOM 420 N LYS A 31 3.694 -20.985 3.607 1.00 0.00 N ATOM 421 CA LYS A 31 3.750 -21.199 5.048 1.00 0.00 C ATOM 422 C LYS A 31 5.125 -20.838 5.599 1.00 0.00 C ATOM 423 O LYS A 31 5.374 -20.955 6.799 1.00 0.00 O ATOM 424 CB LYS A 31 3.420 -22.656 5.382 1.00 0.00 C ATOM 425 CG LYS A 31 2.107 -23.134 4.788 1.00 0.00 C ATOM 426 CD LYS A 31 1.931 -24.633 4.957 1.00 0.00 C ATOM 427 CE LYS A 31 0.705 -25.139 4.213 1.00 0.00 C ATOM 428 NZ LYS A 31 0.874 -26.546 3.757 1.00 0.00 N ATOM 0 H LYS A 31 3.639 -21.842 3.056 1.00 0.00 H new ATOM 0 HA LYS A 31 3.010 -20.550 5.515 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.226 -23.294 5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.383 -22.772 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.279 -22.613 5.268 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.072 -22.880 3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.819 -25.148 4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.839 -24.872 6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.168 -25.070 4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.513 -24.499 3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.017 -26.853 3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.692 -26.608 3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.032 -27.161 4.581 1.00 0.00 H new ATOM 442 N ASN A 32 6.015 -20.398 4.716 1.00 0.00 N ATOM 443 CA ASN A 32 7.366 -20.020 5.115 1.00 0.00 C ATOM 444 C ASN A 32 7.729 -18.642 4.569 1.00 0.00 C ATOM 445 O ASN A 32 8.781 -18.092 4.892 1.00 0.00 O ATOM 446 CB ASN A 32 8.376 -21.058 4.621 1.00 0.00 C ATOM 447 CG ASN A 32 7.786 -22.454 4.561 1.00 0.00 C ATOM 448 OD1 ASN A 32 7.717 -23.064 3.494 1.00 0.00 O ATOM 449 ND2 ASN A 32 7.359 -22.966 5.709 1.00 0.00 N ATOM 0 H ASN A 32 5.825 -20.294 3.719 1.00 0.00 H new ATOM 0 HA ASN A 32 7.398 -19.981 6.204 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.731 -20.773 3.630 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.243 -21.061 5.282 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.954 -23.902 5.731 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.436 -22.424 6.569 1.00 0.00 H new ATOM 456 N SER A 33 6.849 -18.090 3.739 1.00 0.00 N ATOM 457 CA SER A 33 7.077 -16.778 3.145 1.00 0.00 C ATOM 458 C SER A 33 5.758 -16.131 2.733 1.00 0.00 C ATOM 459 O SER A 33 4.704 -16.768 2.765 1.00 0.00 O ATOM 460 CB SER A 33 8.001 -16.898 1.932 1.00 0.00 C ATOM 461 OG SER A 33 8.919 -17.965 2.093 1.00 0.00 O ATOM 0 H SER A 33 5.972 -18.531 3.463 1.00 0.00 H new ATOM 0 HA SER A 33 7.553 -16.145 3.894 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.406 -17.058 1.033 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.545 -15.964 1.792 1.00 0.00 H new ATOM 0 HG SER A 33 9.497 -18.021 1.304 1.00 0.00 H new ATOM 467 N LEU A 34 5.825 -14.862 2.346 1.00 0.00 N ATOM 468 CA LEU A 34 4.636 -14.127 1.926 1.00 0.00 C ATOM 469 C LEU A 34 5.006 -12.987 0.983 1.00 0.00 C ATOM 470 O LEU A 34 5.555 -11.969 1.406 1.00 0.00 O ATOM 471 CB LEU A 34 3.897 -13.575 3.146 1.00 0.00 C ATOM 472 CG LEU A 34 2.808 -14.474 3.734 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.297 -13.903 5.048 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.665 -14.644 2.744 1.00 0.00 C ATOM 0 H LEU A 34 6.689 -14.321 2.314 1.00 0.00 H new ATOM 0 HA LEU A 34 3.981 -14.817 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.629 -13.367 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.445 -12.622 2.871 1.00 0.00 H new ATOM 0 HG LEU A 34 3.240 -15.455 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.523 -14.556 5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.120 -13.833 5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.881 -12.910 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.899 -15.286 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.234 -13.669 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.042 -15.098 1.828 1.00 0.00 H new ATOM 486 N THR A 35 4.700 -13.163 -0.299 1.00 0.00 N ATOM 487 CA THR A 35 4.999 -12.149 -1.302 1.00 0.00 C ATOM 488 C THR A 35 3.881 -11.116 -1.390 1.00 0.00 C ATOM 489 O THR A 35 2.699 -11.459 -1.334 1.00 0.00 O ATOM 490 CB THR A 35 5.210 -12.779 -2.692 1.00 0.00 C ATOM 491 OG1 THR A 35 6.178 -13.831 -2.610 1.00 0.00 O ATOM 492 CG2 THR A 35 5.673 -11.734 -3.695 1.00 0.00 C ATOM 0 H THR A 35 4.245 -13.999 -0.667 1.00 0.00 H new ATOM 0 HA THR A 35 5.921 -11.658 -0.990 1.00 0.00 H new ATOM 0 HB THR A 35 4.258 -13.187 -3.031 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.424 -14.120 -3.513 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.815 -12.202 -4.669 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.921 -10.949 -3.776 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.615 -11.300 -3.360 1.00 0.00 H new ATOM 500 N LEU A 36 4.261 -9.851 -1.528 1.00 0.00 N ATOM 501 CA LEU A 36 3.290 -8.766 -1.625 1.00 0.00 C ATOM 502 C LEU A 36 3.730 -7.731 -2.654 1.00 0.00 C ATOM 503 O LEU A 36 4.820 -7.168 -2.554 1.00 0.00 O ATOM 504 CB LEU A 36 3.103 -8.099 -0.261 1.00 0.00 C ATOM 505 CG LEU A 36 2.561 -8.993 0.855 1.00 0.00 C ATOM 506 CD1 LEU A 36 2.950 -8.442 2.218 1.00 0.00 C ATOM 507 CD2 LEU A 36 1.049 -9.126 0.744 1.00 0.00 C ATOM 0 H LEU A 36 5.235 -9.551 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 36 2.340 -9.190 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.064 -7.695 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.426 -7.253 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 36 3.003 -9.984 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.555 -9.092 2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.036 -8.399 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.538 -7.440 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.680 -9.766 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.590 -8.141 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.792 -9.567 -0.219 1.00 0.00 H new ATOM 519 N GLN A 37 2.875 -7.483 -3.641 1.00 0.00 N ATOM 520 CA GLN A 37 3.176 -6.514 -4.687 1.00 0.00 C ATOM 521 C GLN A 37 2.206 -5.338 -4.636 1.00 0.00 C ATOM 522 O GLN A 37 1.018 -5.513 -4.366 1.00 0.00 O ATOM 523 CB GLN A 37 3.116 -7.181 -6.063 1.00 0.00 C ATOM 524 CG GLN A 37 4.239 -8.176 -6.306 1.00 0.00 C ATOM 525 CD GLN A 37 4.474 -8.441 -7.780 1.00 0.00 C ATOM 526 OE1 GLN A 37 5.497 -8.044 -8.339 1.00 0.00 O ATOM 527 NE2 GLN A 37 3.526 -9.117 -8.419 1.00 0.00 N ATOM 0 H GLN A 37 1.968 -7.940 -3.738 1.00 0.00 H new ATOM 0 HA GLN A 37 4.185 -6.137 -4.518 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.159 -7.693 -6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.152 -6.410 -6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.158 -7.798 -5.858 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.003 -9.115 -5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.694 -9.427 -7.917 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.630 -9.326 -9.412 1.00 0.00 H new ATOM 536 N TRP A 38 2.720 -4.142 -4.896 1.00 0.00 N ATOM 537 CA TRP A 38 1.899 -2.937 -4.879 1.00 0.00 C ATOM 538 C TRP A 38 2.232 -2.034 -6.062 1.00 0.00 C ATOM 539 O TRP A 38 3.136 -2.327 -6.845 1.00 0.00 O ATOM 540 CB TRP A 38 2.100 -2.176 -3.568 1.00 0.00 C ATOM 541 CG TRP A 38 3.542 -1.921 -3.244 1.00 0.00 C ATOM 542 CD1 TRP A 38 4.272 -0.814 -3.571 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.427 -2.793 -2.533 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.558 -0.945 -3.105 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.678 -2.150 -2.464 1.00 0.00 C ATOM 546 CE3 TRP A 38 4.284 -4.053 -1.946 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.777 -2.726 -1.833 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.376 -4.623 -1.320 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.609 -3.960 -1.266 1.00 0.00 C ATOM 0 H TRP A 38 3.702 -3.980 -5.121 1.00 0.00 H new ATOM 0 HA TRP A 38 0.855 -3.238 -4.959 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.574 -1.223 -3.625 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.647 -2.742 -2.754 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.894 0.039 -4.116 1.00 0.00 H new ATOM 0 HE1 TRP A 38 6.302 -0.257 -3.218 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.337 -4.572 -1.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.729 -2.217 -1.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.277 -5.597 -0.864 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.443 -4.432 -0.767 1.00 0.00 H new ATOM 560 N LYS A 39 1.497 -0.934 -6.186 1.00 0.00 N ATOM 561 CA LYS A 39 1.715 0.014 -7.273 1.00 0.00 C ATOM 562 C LYS A 39 2.058 1.396 -6.728 1.00 0.00 C ATOM 563 O LYS A 39 2.084 1.607 -5.516 1.00 0.00 O ATOM 564 CB LYS A 39 0.472 0.098 -8.161 1.00 0.00 C ATOM 565 CG LYS A 39 -0.790 0.478 -7.406 1.00 0.00 C ATOM 566 CD LYS A 39 -1.821 1.111 -8.327 1.00 0.00 C ATOM 567 CE LYS A 39 -2.633 0.056 -9.062 1.00 0.00 C ATOM 568 NZ LYS A 39 -3.345 0.625 -10.240 1.00 0.00 N ATOM 0 H LYS A 39 0.745 -0.677 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 39 2.556 -0.341 -7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.648 0.830 -8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.318 -0.865 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.216 -0.409 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.540 1.174 -6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.489 1.746 -7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.319 1.754 -9.050 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.973 -0.747 -9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.358 -0.386 -8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.887 -0.126 -10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.994 1.374 -9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.652 1.024 -10.905 1.00 0.00 H new ATOM 582 N ALA A 40 2.320 2.335 -7.632 1.00 0.00 N ATOM 583 CA ALA A 40 2.657 3.698 -7.241 1.00 0.00 C ATOM 584 C ALA A 40 1.449 4.621 -7.367 1.00 0.00 C ATOM 585 O ALA A 40 0.734 4.614 -8.369 1.00 0.00 O ATOM 586 CB ALA A 40 3.811 4.219 -8.085 1.00 0.00 C ATOM 0 H ALA A 40 2.305 2.176 -8.639 1.00 0.00 H new ATOM 0 HA ALA A 40 2.963 3.684 -6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.052 5.238 -7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.684 3.582 -7.941 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.525 4.211 -9.137 1.00 0.00 H new ATOM 592 N PRO A 41 1.214 5.433 -6.326 1.00 0.00 N ATOM 593 CA PRO A 41 0.092 6.377 -6.296 1.00 0.00 C ATOM 594 C PRO A 41 0.276 7.527 -7.280 1.00 0.00 C ATOM 595 O PRO A 41 1.131 7.471 -8.163 1.00 0.00 O ATOM 596 CB PRO A 41 0.103 6.896 -4.857 1.00 0.00 C ATOM 597 CG PRO A 41 1.512 6.726 -4.404 1.00 0.00 C ATOM 598 CD PRO A 41 2.025 5.495 -5.099 1.00 0.00 C ATOM 0 HA PRO A 41 -0.847 5.904 -6.585 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.204 7.941 -4.811 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.586 6.333 -4.228 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.113 7.598 -4.662 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.563 6.612 -3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.089 5.574 -5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.895 4.603 -4.486 1.00 0.00 H new ATOM 606 N SER A 42 -0.532 8.571 -7.120 1.00 0.00 N ATOM 607 CA SER A 42 -0.460 9.734 -7.996 1.00 0.00 C ATOM 608 C SER A 42 0.532 10.760 -7.457 1.00 0.00 C ATOM 609 O SER A 42 0.311 11.360 -6.405 1.00 0.00 O ATOM 610 CB SER A 42 -1.842 10.373 -8.145 1.00 0.00 C ATOM 611 OG SER A 42 -2.627 9.676 -9.097 1.00 0.00 O ATOM 0 H SER A 42 -1.244 8.635 -6.392 1.00 0.00 H new ATOM 0 HA SER A 42 -0.115 9.400 -8.974 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.351 10.375 -7.181 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.734 11.414 -8.450 1.00 0.00 H new ATOM 0 HG SER A 42 -3.506 10.103 -9.172 1.00 0.00 H new ATOM 617 N ASP A 43 1.625 10.956 -8.185 1.00 0.00 N ATOM 618 CA ASP A 43 2.652 11.909 -7.782 1.00 0.00 C ATOM 619 C ASP A 43 2.187 13.342 -8.021 1.00 0.00 C ATOM 620 O ASP A 43 2.560 13.970 -9.011 1.00 0.00 O ATOM 621 CB ASP A 43 3.950 11.648 -8.547 1.00 0.00 C ATOM 622 CG ASP A 43 3.733 11.562 -10.045 1.00 0.00 C ATOM 623 OD1 ASP A 43 2.721 12.111 -10.529 1.00 0.00 O ATOM 624 OD2 ASP A 43 4.573 10.945 -10.733 1.00 0.00 O ATOM 0 H ASP A 43 1.823 10.467 -9.058 1.00 0.00 H new ATOM 0 HA ASP A 43 2.835 11.778 -6.716 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.662 12.445 -8.331 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.396 10.718 -8.194 1.00 0.00 H new ATOM 661 N LYS A 47 8.424 13.938 -6.224 1.00 0.00 N ATOM 662 CA LYS A 47 8.619 12.520 -6.498 1.00 0.00 C ATOM 663 C LYS A 47 8.804 11.736 -5.203 1.00 0.00 C ATOM 664 O LYS A 47 9.709 12.020 -4.419 1.00 0.00 O ATOM 665 CB LYS A 47 9.833 12.317 -7.407 1.00 0.00 C ATOM 666 CG LYS A 47 11.134 12.819 -6.805 1.00 0.00 C ATOM 667 CD LYS A 47 12.301 12.625 -7.758 1.00 0.00 C ATOM 668 CE LYS A 47 12.358 13.729 -8.803 1.00 0.00 C ATOM 669 NZ LYS A 47 13.610 13.668 -9.607 1.00 0.00 N ATOM 0 HA LYS A 47 7.728 12.148 -7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.933 11.256 -7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.658 12.830 -8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.037 13.876 -6.557 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.333 12.290 -5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.234 12.608 -7.194 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.211 11.658 -8.253 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.497 13.646 -9.466 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.290 14.699 -8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.610 14.437 -10.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.432 13.772 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.663 12.752 -10.098 1.00 0.00 H new ATOM 683 N ILE A 48 7.942 10.748 -4.987 1.00 0.00 N ATOM 684 CA ILE A 48 8.013 9.921 -3.788 1.00 0.00 C ATOM 685 C ILE A 48 9.381 9.260 -3.656 1.00 0.00 C ATOM 686 O ILE A 48 9.747 8.405 -4.462 1.00 0.00 O ATOM 687 CB ILE A 48 6.926 8.830 -3.791 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.541 9.460 -3.947 1.00 0.00 C ATOM 689 CG2 ILE A 48 6.999 8.006 -2.515 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.547 8.568 -4.657 1.00 0.00 C ATOM 0 H ILE A 48 7.187 10.501 -5.626 1.00 0.00 H new ATOM 0 HA ILE A 48 7.849 10.583 -2.938 1.00 0.00 H new ATOM 0 HB ILE A 48 7.100 8.167 -4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.152 9.710 -2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.636 10.395 -4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.224 7.239 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.978 7.532 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.847 8.656 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.587 9.080 -4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.914 8.338 -5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.422 7.643 -4.095 1.00 0.00 H new ATOM 702 N GLN A 49 10.130 9.662 -2.635 1.00 0.00 N ATOM 703 CA GLN A 49 11.458 9.108 -2.397 1.00 0.00 C ATOM 704 C GLN A 49 11.436 7.585 -2.486 1.00 0.00 C ATOM 705 O GLN A 49 11.974 7.001 -3.425 1.00 0.00 O ATOM 706 CB GLN A 49 11.977 9.542 -1.026 1.00 0.00 C ATOM 707 CG GLN A 49 11.999 11.050 -0.833 1.00 0.00 C ATOM 708 CD GLN A 49 13.031 11.494 0.185 1.00 0.00 C ATOM 709 OE1 GLN A 49 13.946 12.254 -0.133 1.00 0.00 O ATOM 710 NE2 GLN A 49 12.887 11.021 1.417 1.00 0.00 N ATOM 0 H GLN A 49 9.840 10.369 -1.959 1.00 0.00 H new ATOM 0 HA GLN A 49 12.127 9.490 -3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.353 9.094 -0.252 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.985 9.152 -0.888 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.207 11.532 -1.789 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.012 11.386 -0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.113 10.393 1.635 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.550 11.285 2.145 1.00 0.00 H new ATOM 719 N ASN A 50 10.809 6.949 -1.502 1.00 0.00 N ATOM 720 CA ASN A 50 10.717 5.494 -1.469 1.00 0.00 C ATOM 721 C ASN A 50 9.389 5.046 -0.867 1.00 0.00 C ATOM 722 O ASN A 50 8.579 5.869 -0.441 1.00 0.00 O ATOM 723 CB ASN A 50 11.879 4.907 -0.664 1.00 0.00 C ATOM 724 CG ASN A 50 11.660 5.021 0.832 1.00 0.00 C ATOM 725 OD1 ASN A 50 10.734 4.426 1.383 1.00 0.00 O ATOM 726 ND2 ASN A 50 12.516 5.788 1.498 1.00 0.00 N ATOM 0 H ASN A 50 10.357 7.418 -0.717 1.00 0.00 H new ATOM 0 HA ASN A 50 10.772 5.128 -2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.009 3.858 -0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.801 5.421 -0.934 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.420 5.902 2.507 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.269 6.263 1.000 1.00 0.00 H new ATOM 733 N PHE A 51 9.173 3.735 -0.834 1.00 0.00 N ATOM 734 CA PHE A 51 7.943 3.176 -0.285 1.00 0.00 C ATOM 735 C PHE A 51 8.183 2.595 1.105 1.00 0.00 C ATOM 736 O PHE A 51 9.096 1.795 1.307 1.00 0.00 O ATOM 737 CB PHE A 51 7.389 2.094 -1.214 1.00 0.00 C ATOM 738 CG PHE A 51 6.669 2.643 -2.412 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.468 3.319 -2.265 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.192 2.484 -3.685 1.00 0.00 C ATOM 741 CE1 PHE A 51 4.803 3.825 -3.366 1.00 0.00 C ATOM 742 CE2 PHE A 51 6.531 2.988 -4.789 1.00 0.00 C ATOM 743 CZ PHE A 51 5.336 3.660 -4.629 1.00 0.00 C ATOM 0 H PHE A 51 9.834 3.040 -1.181 1.00 0.00 H new ATOM 0 HA PHE A 51 7.213 3.981 -0.202 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.210 1.462 -1.552 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.707 1.457 -0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.047 3.452 -1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.127 1.960 -3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.867 4.349 -3.238 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.949 2.856 -5.776 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.819 4.056 -5.490 1.00 0.00 H new ATOM 753 N VAL A 52 7.356 3.005 2.063 1.00 0.00 N ATOM 754 CA VAL A 52 7.477 2.526 3.434 1.00 0.00 C ATOM 755 C VAL A 52 6.379 1.521 3.764 1.00 0.00 C ATOM 756 O VAL A 52 5.202 1.877 3.848 1.00 0.00 O ATOM 757 CB VAL A 52 7.415 3.688 4.443 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.588 3.173 5.863 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.469 4.734 4.114 1.00 0.00 C ATOM 0 H VAL A 52 6.595 3.668 1.914 1.00 0.00 H new ATOM 0 HA VAL A 52 8.448 2.038 3.514 1.00 0.00 H new ATOM 0 HB VAL A 52 6.434 4.158 4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.541 4.009 6.561 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.793 2.464 6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.554 2.677 5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.412 5.548 4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.459 4.279 4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.293 5.125 3.112 1.00 0.00 H new ATOM 769 N LEU A 53 6.769 0.266 3.951 1.00 0.00 N ATOM 770 CA LEU A 53 5.817 -0.792 4.273 1.00 0.00 C ATOM 771 C LEU A 53 5.810 -1.080 5.771 1.00 0.00 C ATOM 772 O LEU A 53 6.824 -0.918 6.448 1.00 0.00 O ATOM 773 CB LEU A 53 6.159 -2.066 3.499 1.00 0.00 C ATOM 774 CG LEU A 53 5.255 -3.272 3.757 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.891 -3.063 3.118 1.00 0.00 C ATOM 776 CD2 LEU A 53 5.902 -4.546 3.233 1.00 0.00 C ATOM 0 H LEU A 53 7.738 -0.045 3.885 1.00 0.00 H new ATOM 0 HA LEU A 53 4.823 -0.453 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.131 -1.838 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.184 -2.348 3.738 1.00 0.00 H new ATOM 0 HG LEU A 53 5.117 -3.375 4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.261 -3.931 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.423 -2.174 3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.009 -2.934 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.244 -5.394 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.071 -4.454 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.855 -4.704 3.738 1.00 0.00 H new ATOM 788 N GLU A 54 4.659 -1.510 6.279 1.00 0.00 N ATOM 789 CA GLU A 54 4.521 -1.822 7.697 1.00 0.00 C ATOM 790 C GLU A 54 3.662 -3.068 7.899 1.00 0.00 C ATOM 791 O GLU A 54 2.769 -3.354 7.102 1.00 0.00 O ATOM 792 CB GLU A 54 3.905 -0.638 8.445 1.00 0.00 C ATOM 793 CG GLU A 54 4.931 0.362 8.951 1.00 0.00 C ATOM 794 CD GLU A 54 4.385 1.251 10.052 1.00 0.00 C ATOM 795 OE1 GLU A 54 3.367 1.934 9.812 1.00 0.00 O ATOM 796 OE2 GLU A 54 4.975 1.264 11.152 1.00 0.00 O ATOM 0 H GLU A 54 3.810 -1.650 5.731 1.00 0.00 H new ATOM 0 HA GLU A 54 5.515 -2.018 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.206 -0.126 7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.328 -1.013 9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.804 -0.175 9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.268 0.983 8.121 1.00 0.00 H new ATOM 803 N TRP A 55 3.940 -3.803 8.969 1.00 0.00 N ATOM 804 CA TRP A 55 3.194 -5.018 9.276 1.00 0.00 C ATOM 805 C TRP A 55 3.282 -5.350 10.761 1.00 0.00 C ATOM 806 O TRP A 55 4.248 -4.987 11.432 1.00 0.00 O ATOM 807 CB TRP A 55 3.724 -6.190 8.447 1.00 0.00 C ATOM 808 CG TRP A 55 5.023 -6.738 8.955 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.091 -6.021 9.416 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.391 -8.118 9.052 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.101 -6.873 9.793 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.696 -8.164 9.580 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.746 -9.318 8.745 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.365 -9.365 9.807 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.411 -10.509 8.971 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.709 -10.525 9.498 1.00 0.00 C ATOM 0 H TRP A 55 4.676 -3.579 9.639 1.00 0.00 H new ATOM 0 HA TRP A 55 2.148 -4.846 9.022 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.980 -6.986 8.440 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.854 -5.866 7.414 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.135 -4.944 9.475 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.005 -6.590 10.170 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.746 -9.316 8.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.366 -9.380 10.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.921 -11.443 8.737 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.201 -11.472 9.664 1.00 0.00 H new ATOM 827 N ASP A 56 2.268 -6.043 11.269 1.00 0.00 N ATOM 828 CA ASP A 56 2.232 -6.425 12.676 1.00 0.00 C ATOM 829 C ASP A 56 3.015 -7.713 12.910 1.00 0.00 C ATOM 830 O ASP A 56 2.636 -8.538 13.740 1.00 0.00 O ATOM 831 CB ASP A 56 0.785 -6.601 13.141 1.00 0.00 C ATOM 832 CG ASP A 56 -0.071 -5.386 12.844 1.00 0.00 C ATOM 833 OD1 ASP A 56 0.398 -4.255 13.090 1.00 0.00 O ATOM 834 OD2 ASP A 56 -1.210 -5.566 12.365 1.00 0.00 O ATOM 0 H ASP A 56 1.461 -6.351 10.727 1.00 0.00 H new ATOM 0 HA ASP A 56 2.698 -5.628 13.256 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.353 -7.474 12.652 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.772 -6.797 14.213 1.00 0.00 H new ATOM 839 N GLU A 57 4.108 -7.877 12.171 1.00 0.00 N ATOM 840 CA GLU A 57 4.943 -9.066 12.297 1.00 0.00 C ATOM 841 C GLU A 57 4.091 -10.303 12.565 1.00 0.00 C ATOM 842 O GLU A 57 4.532 -11.243 13.226 1.00 0.00 O ATOM 843 CB GLU A 57 5.964 -8.882 13.422 1.00 0.00 C ATOM 844 CG GLU A 57 7.224 -8.154 12.987 1.00 0.00 C ATOM 845 CD GLU A 57 8.378 -8.360 13.948 1.00 0.00 C ATOM 846 OE1 GLU A 57 8.998 -9.444 13.909 1.00 0.00 O ATOM 847 OE2 GLU A 57 8.662 -7.437 14.740 1.00 0.00 O ATOM 0 H GLU A 57 4.436 -7.202 11.480 1.00 0.00 H new ATOM 0 HA GLU A 57 5.473 -9.209 11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.498 -8.329 14.237 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.238 -9.861 13.816 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.515 -8.501 11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.012 -7.088 12.902 1.00 0.00 H new ATOM 854 N GLY A 58 2.866 -10.295 12.048 1.00 0.00 N ATOM 855 CA GLY A 58 1.971 -11.420 12.243 1.00 0.00 C ATOM 856 C GLY A 58 1.977 -11.925 13.672 1.00 0.00 C ATOM 857 O GLY A 58 2.047 -13.131 13.912 1.00 0.00 O ATOM 0 H GLY A 58 2.478 -9.529 11.498 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.958 -11.126 11.969 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.260 -12.230 11.573 1.00 0.00 H new ATOM 861 N LYS A 59 1.905 -11.002 14.624 1.00 0.00 N ATOM 862 CA LYS A 59 1.903 -11.359 16.038 1.00 0.00 C ATOM 863 C LYS A 59 0.478 -11.454 16.573 1.00 0.00 C ATOM 864 O LYS A 59 0.135 -12.395 17.288 1.00 0.00 O ATOM 865 CB LYS A 59 2.695 -10.328 16.847 1.00 0.00 C ATOM 866 CG LYS A 59 4.109 -10.112 16.338 1.00 0.00 C ATOM 867 CD LYS A 59 4.747 -8.885 16.967 1.00 0.00 C ATOM 868 CE LYS A 59 5.402 -9.218 18.299 1.00 0.00 C ATOM 869 NZ LYS A 59 5.648 -7.997 19.116 1.00 0.00 N ATOM 0 H LYS A 59 1.847 -10.000 14.442 1.00 0.00 H new ATOM 0 HA LYS A 59 2.377 -12.335 16.141 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.162 -9.377 16.829 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.738 -10.650 17.888 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.714 -10.991 16.559 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.093 -10.000 15.254 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.492 -8.472 16.287 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.990 -8.115 17.115 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.765 -9.905 18.856 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.346 -9.732 18.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.095 -8.266 20.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.277 -7.352 18.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.744 -7.520 19.308 1.00 0.00 H new ATOM 883 N GLY A 60 -0.349 -10.475 16.220 1.00 0.00 N ATOM 884 CA GLY A 60 -1.728 -10.469 16.673 1.00 0.00 C ATOM 885 C GLY A 60 -1.942 -9.561 17.868 1.00 0.00 C ATOM 886 O GLY A 60 -2.650 -9.918 18.808 1.00 0.00 O ATOM 0 H GLY A 60 -0.089 -9.686 15.628 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.374 -10.148 15.856 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.026 -11.484 16.934 1.00 0.00 H new ATOM 890 N ASN A 61 -1.327 -8.383 17.832 1.00 0.00 N ATOM 891 CA ASN A 61 -1.452 -7.422 18.922 1.00 0.00 C ATOM 892 C ASN A 61 -1.965 -6.081 18.408 1.00 0.00 C ATOM 893 O ASN A 61 -2.845 -5.468 19.011 1.00 0.00 O ATOM 894 CB ASN A 61 -0.103 -7.232 19.619 1.00 0.00 C ATOM 895 CG ASN A 61 0.667 -8.531 19.753 1.00 0.00 C ATOM 896 OD1 ASN A 61 0.082 -9.594 19.960 1.00 0.00 O ATOM 897 ND2 ASN A 61 1.988 -8.451 19.635 1.00 0.00 N ATOM 0 H ASN A 61 -0.737 -8.071 17.060 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.172 -7.815 19.640 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.495 -6.515 19.057 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.266 -6.806 20.609 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.559 -9.292 19.716 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.431 -7.548 19.464 1.00 0.00 H new ATOM 904 N GLY A 62 -1.408 -5.630 17.288 1.00 0.00 N ATOM 905 CA GLY A 62 -1.822 -4.364 16.711 1.00 0.00 C ATOM 906 C GLY A 62 -0.699 -3.346 16.679 1.00 0.00 C ATOM 907 O GLY A 62 -0.932 -2.151 16.854 1.00 0.00 O ATOM 0 H GLY A 62 -0.678 -6.119 16.770 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.185 -4.532 15.697 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.656 -3.962 17.286 1.00 0.00 H new ATOM 911 N GLU A 63 0.522 -3.822 16.456 1.00 0.00 N ATOM 912 CA GLU A 63 1.685 -2.944 16.405 1.00 0.00 C ATOM 913 C GLU A 63 2.360 -3.013 15.038 1.00 0.00 C ATOM 914 O GLU A 63 3.012 -4.002 14.705 1.00 0.00 O ATOM 915 CB GLU A 63 2.686 -3.322 17.499 1.00 0.00 C ATOM 916 CG GLU A 63 2.368 -2.710 18.853 1.00 0.00 C ATOM 917 CD GLU A 63 2.858 -1.281 18.977 1.00 0.00 C ATOM 918 OE1 GLU A 63 2.369 -0.418 18.218 1.00 0.00 O ATOM 919 OE2 GLU A 63 3.731 -1.024 19.832 1.00 0.00 O ATOM 0 H GLU A 63 0.731 -4.809 16.308 1.00 0.00 H new ATOM 0 HA GLU A 63 1.344 -1.922 16.572 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.711 -4.407 17.597 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.683 -3.006 17.192 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.290 -2.736 19.015 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.823 -3.315 19.637 1.00 0.00 H new ATOM 926 N PHE A 64 2.196 -1.955 14.250 1.00 0.00 N ATOM 927 CA PHE A 64 2.787 -1.895 12.918 1.00 0.00 C ATOM 928 C PHE A 64 4.179 -1.273 12.969 1.00 0.00 C ATOM 929 O PHE A 64 4.375 -0.211 13.560 1.00 0.00 O ATOM 930 CB PHE A 64 1.890 -1.090 11.975 1.00 0.00 C ATOM 931 CG PHE A 64 0.640 -1.818 11.570 1.00 0.00 C ATOM 932 CD1 PHE A 64 0.627 -2.625 10.443 1.00 0.00 C ATOM 933 CD2 PHE A 64 -0.522 -1.695 12.314 1.00 0.00 C ATOM 934 CE1 PHE A 64 -0.521 -3.297 10.068 1.00 0.00 C ATOM 935 CE2 PHE A 64 -1.672 -2.365 11.944 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.672 -3.166 10.818 1.00 0.00 C ATOM 0 H PHE A 64 1.659 -1.128 14.511 1.00 0.00 H new ATOM 0 HA PHE A 64 2.877 -2.914 12.541 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.615 -0.153 12.460 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.456 -0.831 11.080 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.524 -2.730 9.851 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.529 -1.068 13.193 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.517 -3.924 9.189 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.571 -2.263 12.534 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.571 -3.688 10.526 1.00 0.00 H new ATOM 946 N CYS A 65 5.142 -1.942 12.345 1.00 0.00 N ATOM 947 CA CYS A 65 6.517 -1.457 12.319 1.00 0.00 C ATOM 948 C CYS A 65 7.103 -1.558 10.914 1.00 0.00 C ATOM 949 O CYS A 65 6.702 -2.413 10.125 1.00 0.00 O ATOM 950 CB CYS A 65 7.379 -2.250 13.302 1.00 0.00 C ATOM 951 SG CYS A 65 7.194 -1.737 15.026 1.00 0.00 S ATOM 0 H CYS A 65 4.996 -2.822 11.850 1.00 0.00 H new ATOM 0 HA CYS A 65 6.511 -0.408 12.616 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.126 -3.307 13.220 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.426 -2.149 13.014 1.00 0.00 H new ATOM 0 HG CYS A 65 7.961 -2.467 15.781 1.00 0.00 H new ATOM 957 N GLN A 66 8.052 -0.679 10.610 1.00 0.00 N ATOM 958 CA GLN A 66 8.691 -0.668 9.299 1.00 0.00 C ATOM 959 C GLN A 66 9.275 -2.037 8.967 1.00 0.00 C ATOM 960 O GLN A 66 10.127 -2.552 9.692 1.00 0.00 O ATOM 961 CB GLN A 66 9.791 0.394 9.253 1.00 0.00 C ATOM 962 CG GLN A 66 10.124 0.864 7.846 1.00 0.00 C ATOM 963 CD GLN A 66 11.202 1.930 7.828 1.00 0.00 C ATOM 964 OE1 GLN A 66 10.809 3.165 7.541 1.00 0.00 O flip ATOM 965 NE2 GLN A 66 12.376 1.646 8.068 1.00 0.00 N flip ATOM 0 H GLN A 66 8.395 0.034 11.253 1.00 0.00 H new ATOM 0 HA GLN A 66 7.932 -0.427 8.555 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.482 1.252 9.850 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.692 -0.008 9.716 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.451 0.012 7.250 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.223 1.256 7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.634 0.683 8.284 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.091 2.374 8.051 1.00 0.00 H new ATOM 974 N CYS A 67 8.811 -2.622 7.868 1.00 0.00 N ATOM 975 CA CYS A 67 9.287 -3.933 7.440 1.00 0.00 C ATOM 976 C CYS A 67 10.157 -3.815 6.193 1.00 0.00 C ATOM 977 O CYS A 67 11.255 -4.369 6.135 1.00 0.00 O ATOM 978 CB CYS A 67 8.104 -4.863 7.166 1.00 0.00 C ATOM 979 SG CYS A 67 8.512 -6.622 7.257 1.00 0.00 S ATOM 0 H CYS A 67 8.106 -2.209 7.257 1.00 0.00 H new ATOM 0 HA CYS A 67 9.892 -4.353 8.244 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.312 -4.647 7.883 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.705 -4.644 6.175 1.00 0.00 H new ATOM 0 HG CYS A 67 7.930 -7.149 8.293 1.00 0.00 H new ATOM 985 N TYR A 68 9.659 -3.091 5.197 1.00 0.00 N ATOM 986 CA TYR A 68 10.389 -2.904 3.949 1.00 0.00 C ATOM 987 C TYR A 68 10.367 -1.441 3.518 1.00 0.00 C ATOM 988 O TYR A 68 9.307 -0.818 3.450 1.00 0.00 O ATOM 989 CB TYR A 68 9.790 -3.780 2.847 1.00 0.00 C ATOM 990 CG TYR A 68 10.595 -3.777 1.566 1.00 0.00 C ATOM 991 CD1 TYR A 68 11.653 -4.658 1.386 1.00 0.00 C ATOM 992 CD2 TYR A 68 10.297 -2.892 0.538 1.00 0.00 C ATOM 993 CE1 TYR A 68 12.391 -4.659 0.218 1.00 0.00 C ATOM 994 CE2 TYR A 68 11.028 -2.886 -0.634 1.00 0.00 C ATOM 995 CZ TYR A 68 12.075 -3.771 -0.789 1.00 0.00 C ATOM 996 OH TYR A 68 12.807 -3.767 -1.954 1.00 0.00 O ATOM 0 H TYR A 68 8.753 -2.624 5.230 1.00 0.00 H new ATOM 0 HA TYR A 68 11.425 -3.199 4.117 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.708 -4.804 3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.778 -3.437 2.631 1.00 0.00 H new ATOM 0 HD1 TYR A 68 11.903 -5.354 2.173 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.479 -2.196 0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.211 -5.351 0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.781 -2.193 -1.424 1.00 0.00 H new ATOM 0 HH TYR A 68 12.824 -4.671 -2.332 1.00 0.00 H new ATOM 1006 N MET A 69 11.545 -0.898 3.229 1.00 0.00 N ATOM 1007 CA MET A 69 11.662 0.492 2.803 1.00 0.00 C ATOM 1008 C MET A 69 12.624 0.621 1.626 1.00 0.00 C ATOM 1009 O MET A 69 13.806 0.301 1.740 1.00 0.00 O ATOM 1010 CB MET A 69 12.139 1.365 3.965 1.00 0.00 C ATOM 1011 CG MET A 69 12.251 2.839 3.611 1.00 0.00 C ATOM 1012 SD MET A 69 12.568 3.877 5.051 1.00 0.00 S ATOM 1013 CE MET A 69 11.679 5.365 4.598 1.00 0.00 C ATOM 0 H MET A 69 12.432 -1.399 3.282 1.00 0.00 H new ATOM 0 HA MET A 69 10.677 0.832 2.483 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.449 1.252 4.801 1.00 0.00 H new ATOM 0 HB3 MET A 69 13.111 1.006 4.303 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.054 2.975 2.886 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.329 3.164 3.130 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.386 6.182 4.454 1.00 0.00 H new ATOM 0 HE2 MET A 69 11.129 5.193 3.673 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.980 5.627 5.392 1.00 0.00 H new ATOM 1023 N GLY A 70 12.108 1.093 0.495 1.00 0.00 N ATOM 1024 CA GLY A 70 12.935 1.255 -0.686 1.00 0.00 C ATOM 1025 C GLY A 70 12.124 1.606 -1.918 1.00 0.00 C ATOM 1026 O GLY A 70 10.914 1.816 -1.834 1.00 0.00 O ATOM 0 H GLY A 70 11.132 1.366 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.672 2.037 -0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.487 0.333 -0.869 1.00 0.00 H new ATOM 1030 N SER A 71 12.792 1.671 -3.065 1.00 0.00 N ATOM 1031 CA SER A 71 12.127 2.005 -4.319 1.00 0.00 C ATOM 1032 C SER A 71 11.289 0.831 -4.819 1.00 0.00 C ATOM 1033 O SER A 71 10.108 0.986 -5.127 1.00 0.00 O ATOM 1034 CB SER A 71 13.158 2.398 -5.379 1.00 0.00 C ATOM 1035 OG SER A 71 12.529 2.954 -6.521 1.00 0.00 O ATOM 0 H SER A 71 13.793 1.497 -3.152 1.00 0.00 H new ATOM 0 HA SER A 71 11.464 2.851 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.859 3.119 -4.959 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.738 1.522 -5.670 1.00 0.00 H new ATOM 0 HG SER A 71 13.209 3.198 -7.183 1.00 0.00 H new ATOM 1041 N GLN A 72 11.911 -0.341 -4.895 1.00 0.00 N ATOM 1042 CA GLN A 72 11.224 -1.541 -5.358 1.00 0.00 C ATOM 1043 C GLN A 72 9.792 -1.583 -4.835 1.00 0.00 C ATOM 1044 O GLN A 72 9.529 -1.236 -3.684 1.00 0.00 O ATOM 1045 CB GLN A 72 11.980 -2.792 -4.909 1.00 0.00 C ATOM 1046 CG GLN A 72 13.302 -2.996 -5.632 1.00 0.00 C ATOM 1047 CD GLN A 72 14.325 -3.725 -4.784 1.00 0.00 C ATOM 1048 OE1 GLN A 72 15.128 -3.102 -4.088 1.00 0.00 O ATOM 1049 NE2 GLN A 72 14.302 -5.051 -4.837 1.00 0.00 N ATOM 0 H GLN A 72 12.889 -0.485 -4.642 1.00 0.00 H new ATOM 0 HA GLN A 72 11.194 -1.515 -6.447 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.168 -2.728 -3.837 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.348 -3.666 -5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.127 -3.560 -6.548 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.704 -2.027 -5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.619 -5.526 -5.427 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.967 -5.595 -4.287 1.00 0.00 H new ATOM 1058 N LYS A 73 8.868 -2.011 -5.689 1.00 0.00 N ATOM 1059 CA LYS A 73 7.462 -2.101 -5.315 1.00 0.00 C ATOM 1060 C LYS A 73 7.062 -3.547 -5.042 1.00 0.00 C ATOM 1061 O LYS A 73 5.917 -3.937 -5.268 1.00 0.00 O ATOM 1062 CB LYS A 73 6.580 -1.517 -6.421 1.00 0.00 C ATOM 1063 CG LYS A 73 6.900 -0.070 -6.755 1.00 0.00 C ATOM 1064 CD LYS A 73 6.444 0.293 -8.158 1.00 0.00 C ATOM 1065 CE LYS A 73 4.929 0.257 -8.278 1.00 0.00 C ATOM 1066 NZ LYS A 73 4.477 0.509 -9.675 1.00 0.00 N ATOM 0 H LYS A 73 9.068 -2.301 -6.646 1.00 0.00 H new ATOM 0 HA LYS A 73 7.318 -1.524 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.692 -2.122 -7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.536 -1.588 -6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.415 0.587 -6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.974 0.096 -6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.807 1.289 -8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.883 -0.400 -8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.561 -0.714 -7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.494 1.005 -7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.438 0.476 -9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.806 1.446 -9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.871 -0.220 -10.304 1.00 0.00 H new ATOM 1080 N GLN A 74 8.013 -4.337 -4.553 1.00 0.00 N ATOM 1081 CA GLN A 74 7.759 -5.740 -4.248 1.00 0.00 C ATOM 1082 C GLN A 74 8.652 -6.220 -3.109 1.00 0.00 C ATOM 1083 O GLN A 74 9.860 -5.983 -3.111 1.00 0.00 O ATOM 1084 CB GLN A 74 7.988 -6.603 -5.491 1.00 0.00 C ATOM 1085 CG GLN A 74 7.974 -8.096 -5.205 1.00 0.00 C ATOM 1086 CD GLN A 74 8.599 -8.909 -6.322 1.00 0.00 C ATOM 1087 OE1 GLN A 74 9.515 -8.449 -7.003 1.00 0.00 O ATOM 1088 NE2 GLN A 74 8.105 -10.126 -6.515 1.00 0.00 N ATOM 0 H GLN A 74 8.966 -4.029 -4.360 1.00 0.00 H new ATOM 0 HA GLN A 74 6.719 -5.836 -3.934 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.218 -6.375 -6.228 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.946 -6.336 -5.937 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.510 -8.289 -4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.946 -8.424 -5.054 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.345 -10.467 -5.926 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.486 -10.720 -7.252 1.00 0.00 H new ATOM 1097 N PHE A 75 8.049 -6.896 -2.137 1.00 0.00 N ATOM 1098 CA PHE A 75 8.790 -7.409 -0.990 1.00 0.00 C ATOM 1099 C PHE A 75 8.325 -8.817 -0.628 1.00 0.00 C ATOM 1100 O PHE A 75 7.141 -9.138 -0.729 1.00 0.00 O ATOM 1101 CB PHE A 75 8.618 -6.479 0.212 1.00 0.00 C ATOM 1102 CG PHE A 75 9.302 -6.973 1.455 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.593 -7.472 1.399 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.655 -6.936 2.679 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.225 -7.928 2.540 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.281 -7.390 3.825 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.569 -7.886 3.755 1.00 0.00 C ATOM 0 H PHE A 75 7.050 -7.101 -2.120 1.00 0.00 H new ATOM 0 HA PHE A 75 9.845 -7.452 -1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.010 -5.494 -0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.555 -6.356 0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.112 -7.505 0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.649 -6.548 2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.231 -8.317 2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.765 -7.357 4.773 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.062 -8.240 4.648 1.00 0.00 H new ATOM 1117 N LYS A 76 9.267 -9.654 -0.207 1.00 0.00 N ATOM 1118 CA LYS A 76 8.957 -11.028 0.171 1.00 0.00 C ATOM 1119 C LYS A 76 9.443 -11.326 1.586 1.00 0.00 C ATOM 1120 O LYS A 76 10.646 -11.411 1.834 1.00 0.00 O ATOM 1121 CB LYS A 76 9.597 -12.007 -0.816 1.00 0.00 C ATOM 1122 CG LYS A 76 9.200 -13.454 -0.582 1.00 0.00 C ATOM 1123 CD LYS A 76 9.964 -14.397 -1.495 1.00 0.00 C ATOM 1124 CE LYS A 76 9.902 -15.832 -0.993 1.00 0.00 C ATOM 1125 NZ LYS A 76 10.432 -16.795 -1.998 1.00 0.00 N ATOM 0 H LYS A 76 10.252 -9.405 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 76 7.874 -11.150 0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.317 -11.722 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.681 -11.921 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.389 -13.720 0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.130 -13.570 -0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.550 -14.345 -2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.004 -14.078 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.475 -15.919 -0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.870 -16.089 -0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.372 -17.761 -1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.870 -16.731 -2.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.425 -16.566 -2.208 1.00 0.00 H new ATOM 1139 N ILE A 77 8.501 -11.484 2.509 1.00 0.00 N ATOM 1140 CA ILE A 77 8.834 -11.775 3.898 1.00 0.00 C ATOM 1141 C ILE A 77 9.026 -13.273 4.115 1.00 0.00 C ATOM 1142 O ILE A 77 8.059 -14.033 4.167 1.00 0.00 O ATOM 1143 CB ILE A 77 7.742 -11.265 4.857 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.627 -9.742 4.769 1.00 0.00 C ATOM 1145 CG2 ILE A 77 8.047 -11.696 6.284 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.237 -9.223 5.061 1.00 0.00 C ATOM 0 H ILE A 77 7.501 -11.415 2.320 1.00 0.00 H new ATOM 0 HA ILE A 77 9.768 -11.256 4.114 1.00 0.00 H new ATOM 0 HB ILE A 77 6.788 -11.701 4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.329 -9.292 5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.924 -9.420 3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.266 -11.328 6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.085 -12.784 6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.009 -11.285 6.591 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.230 -8.136 4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.533 -9.645 4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.945 -9.514 6.070 1.00 0.00 H new ATOM 1158 N THR A 78 10.281 -13.690 4.243 1.00 0.00 N ATOM 1159 CA THR A 78 10.601 -15.096 4.456 1.00 0.00 C ATOM 1160 C THR A 78 10.703 -15.418 5.942 1.00 0.00 C ATOM 1161 O THR A 78 10.618 -14.528 6.788 1.00 0.00 O ATOM 1162 CB THR A 78 11.924 -15.482 3.766 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.990 -14.664 4.260 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.813 -15.324 2.257 1.00 0.00 C ATOM 0 H THR A 78 11.093 -13.074 4.203 1.00 0.00 H new ATOM 0 HA THR A 78 9.788 -15.675 4.017 1.00 0.00 H new ATOM 0 HB THR A 78 12.135 -16.527 3.991 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.828 -14.916 3.818 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.759 -15.602 1.792 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.020 -15.970 1.881 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.581 -14.287 2.016 1.00 0.00 H new ATOM 1172 N LYS A 79 10.888 -16.696 6.254 1.00 0.00 N ATOM 1173 CA LYS A 79 11.004 -17.137 7.640 1.00 0.00 C ATOM 1174 C LYS A 79 9.713 -16.868 8.406 1.00 0.00 C ATOM 1175 O LYS A 79 9.739 -16.349 9.523 1.00 0.00 O ATOM 1176 CB LYS A 79 12.174 -16.428 8.325 1.00 0.00 C ATOM 1177 CG LYS A 79 13.509 -16.653 7.637 1.00 0.00 C ATOM 1178 CD LYS A 79 14.220 -17.878 8.188 1.00 0.00 C ATOM 1179 CE LYS A 79 13.843 -19.134 7.417 1.00 0.00 C ATOM 1180 NZ LYS A 79 14.914 -20.167 7.482 1.00 0.00 N ATOM 0 H LYS A 79 10.961 -17.445 5.566 1.00 0.00 H new ATOM 0 HA LYS A 79 11.188 -18.211 7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.969 -15.358 8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.244 -16.774 9.356 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.351 -16.774 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.140 -15.774 7.769 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.298 -17.728 8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.966 -18.005 9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.918 -19.544 7.821 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.649 -18.877 6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.619 -21.007 6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.790 -19.785 7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.081 -20.432 8.474 1.00 0.00 H new ATOM 1194 N LEU A 80 8.586 -17.225 7.801 1.00 0.00 N ATOM 1195 CA LEU A 80 7.284 -17.024 8.428 1.00 0.00 C ATOM 1196 C LEU A 80 6.657 -18.358 8.822 1.00 0.00 C ATOM 1197 O LEU A 80 7.277 -19.412 8.682 1.00 0.00 O ATOM 1198 CB LEU A 80 6.350 -16.270 7.480 1.00 0.00 C ATOM 1199 CG LEU A 80 6.700 -14.804 7.219 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.576 -14.114 6.462 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.985 -14.083 8.528 1.00 0.00 C ATOM 0 H LEU A 80 8.547 -17.655 6.877 1.00 0.00 H new ATOM 0 HA LEU A 80 7.431 -16.432 9.331 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.334 -16.795 6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.339 -16.315 7.886 1.00 0.00 H new ATOM 0 HG LEU A 80 7.600 -14.769 6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.842 -13.072 6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.419 -14.615 5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.660 -14.159 7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.232 -13.041 8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.103 -14.128 9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.824 -14.563 9.032 1.00 0.00 H new ATOM 1213 N SER A 81 5.423 -18.304 9.314 1.00 0.00 N ATOM 1214 CA SER A 81 4.713 -19.507 9.730 1.00 0.00 C ATOM 1215 C SER A 81 3.294 -19.521 9.170 1.00 0.00 C ATOM 1216 O SER A 81 2.704 -18.480 8.879 1.00 0.00 O ATOM 1217 CB SER A 81 4.672 -19.599 11.256 1.00 0.00 C ATOM 1218 OG SER A 81 4.374 -18.340 11.835 1.00 0.00 O ATOM 0 H SER A 81 4.895 -17.440 9.434 1.00 0.00 H new ATOM 0 HA SER A 81 5.249 -20.370 9.336 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.922 -20.329 11.559 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.632 -19.956 11.628 1.00 0.00 H new ATOM 0 HG SER A 81 3.881 -17.792 11.190 1.00 0.00 H new ATOM 1224 N PRO A 82 2.731 -20.729 9.016 1.00 0.00 N ATOM 1225 CA PRO A 82 1.374 -20.909 8.491 1.00 0.00 C ATOM 1226 C PRO A 82 0.306 -20.427 9.468 1.00 0.00 C ATOM 1227 O PRO A 82 0.600 -20.126 10.624 1.00 0.00 O ATOM 1228 CB PRO A 82 1.270 -22.422 8.289 1.00 0.00 C ATOM 1229 CG PRO A 82 2.248 -23.002 9.252 1.00 0.00 C ATOM 1230 CD PRO A 82 3.376 -22.011 9.343 1.00 0.00 C ATOM 0 HA PRO A 82 1.209 -20.331 7.581 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.260 -22.779 8.488 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.511 -22.702 7.263 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.788 -23.161 10.227 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.607 -23.972 8.907 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.818 -21.996 10.339 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.177 -22.248 8.643 1.00 0.00 H new ATOM 1238 N ALA A 83 -0.934 -20.358 8.994 1.00 0.00 N ATOM 1239 CA ALA A 83 -2.045 -19.915 9.827 1.00 0.00 C ATOM 1240 C ALA A 83 -1.636 -18.744 10.713 1.00 0.00 C ATOM 1241 O ALA A 83 -2.084 -18.630 11.853 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.560 -21.068 10.677 1.00 0.00 C ATOM 0 H ALA A 83 -1.194 -20.603 8.039 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.846 -19.576 9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.390 -20.723 11.294 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.902 -21.874 10.028 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.758 -21.434 11.319 1.00 0.00 H new ATOM 1248 N MET A 84 -0.781 -17.876 10.181 1.00 0.00 N ATOM 1249 CA MET A 84 -0.312 -16.713 10.925 1.00 0.00 C ATOM 1250 C MET A 84 -0.881 -15.426 10.336 1.00 0.00 C ATOM 1251 O MET A 84 -0.297 -14.836 9.428 1.00 0.00 O ATOM 1252 CB MET A 84 1.217 -16.659 10.917 1.00 0.00 C ATOM 1253 CG MET A 84 1.783 -15.384 11.521 1.00 0.00 C ATOM 1254 SD MET A 84 3.517 -15.126 11.100 1.00 0.00 S ATOM 1255 CE MET A 84 3.363 -14.088 9.648 1.00 0.00 C ATOM 0 H MET A 84 -0.399 -17.956 9.238 1.00 0.00 H new ATOM 0 HA MET A 84 -0.660 -16.806 11.954 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.606 -17.516 11.468 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.570 -16.753 9.890 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.198 -14.532 11.174 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.678 -15.423 12.605 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.560 -14.681 8.755 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.354 -13.680 9.598 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.082 -13.271 9.707 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.025 -14.996 10.860 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.653 -13.781 10.374 1.00 0.00 C ATOM 1267 C GLY A 85 -1.783 -12.557 10.577 1.00 0.00 C ATOM 1268 O GLY A 85 -1.515 -12.159 11.712 1.00 0.00 O ATOM 0 H GLY A 85 -2.528 -15.467 11.612 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.878 -13.891 9.313 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.603 -13.637 10.888 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.341 -11.958 9.477 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.494 -10.773 9.540 1.00 0.00 C ATOM 1274 C CYS A 86 -1.063 -9.651 8.677 1.00 0.00 C ATOM 1275 O CYS A 86 -1.493 -9.880 7.546 1.00 0.00 O ATOM 1276 CB CYS A 86 0.927 -11.111 9.085 1.00 0.00 C ATOM 1277 SG CYS A 86 1.003 -12.065 7.551 1.00 0.00 S ATOM 0 H CYS A 86 -1.555 -12.274 8.531 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.465 -10.432 10.575 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.485 -10.184 8.952 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.426 -11.673 9.875 1.00 0.00 H new ATOM 0 HG CYS A 86 1.111 -11.254 6.541 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.066 -8.438 9.219 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.583 -7.280 8.501 1.00 0.00 C ATOM 1285 C LYS A 87 -0.453 -6.506 7.830 1.00 0.00 C ATOM 1286 O LYS A 87 0.721 -6.708 8.142 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.347 -6.361 9.456 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.636 -6.968 9.984 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.342 -6.028 10.946 1.00 0.00 C ATOM 1290 CE LYS A 87 -5.816 -6.378 11.087 1.00 0.00 C ATOM 1291 NZ LYS A 87 -6.503 -5.498 12.073 1.00 0.00 N ATOM 0 H LYS A 87 -0.716 -8.232 10.154 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.263 -7.638 7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.702 -6.109 10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.579 -5.428 8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.298 -7.201 9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.416 -7.909 10.489 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.860 -6.076 11.923 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.243 -5.002 10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.305 -6.288 10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.914 -7.418 11.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.505 -5.768 12.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.053 -5.603 13.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.432 -4.508 11.763 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.814 -5.619 6.909 1.00 0.00 N ATOM 1306 CA PHE A 88 0.171 -4.815 6.195 1.00 0.00 C ATOM 1307 C PHE A 88 -0.430 -3.481 5.759 1.00 0.00 C ATOM 1308 O PHE A 88 -1.632 -3.255 5.896 1.00 0.00 O ATOM 1309 CB PHE A 88 0.693 -5.575 4.974 1.00 0.00 C ATOM 1310 CG PHE A 88 1.199 -6.952 5.296 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.320 -8.017 5.414 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.553 -7.181 5.483 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.783 -9.286 5.711 1.00 0.00 C ATOM 1314 CE2 PHE A 88 3.020 -8.447 5.779 1.00 0.00 C ATOM 1315 CZ PHE A 88 2.134 -9.501 5.894 1.00 0.00 C ATOM 0 H PHE A 88 -1.781 -5.439 6.639 1.00 0.00 H new ATOM 0 HA PHE A 88 1.001 -4.616 6.873 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.105 -5.653 4.236 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.497 -5.000 4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.738 -7.854 5.272 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.250 -6.361 5.396 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.088 -10.108 5.800 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.078 -8.613 5.921 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.498 -10.491 6.127 1.00 0.00 H new ATOM 1325 N ARG A 89 0.417 -2.602 5.233 1.00 0.00 N ATOM 1326 CA ARG A 89 -0.029 -1.290 4.779 1.00 0.00 C ATOM 1327 C ARG A 89 1.061 -0.597 3.966 1.00 0.00 C ATOM 1328 O ARG A 89 2.247 -0.697 4.285 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.420 -0.419 5.973 1.00 0.00 C ATOM 1330 CG ARG A 89 0.765 0.041 6.806 1.00 0.00 C ATOM 1331 CD ARG A 89 0.388 0.202 8.271 1.00 0.00 C ATOM 1332 NE ARG A 89 -0.480 1.356 8.489 1.00 0.00 N ATOM 1333 CZ ARG A 89 -1.302 1.472 9.526 1.00 0.00 C ATOM 1334 NH1 ARG A 89 -1.368 0.509 10.435 1.00 0.00 N ATOM 1335 NH2 ARG A 89 -2.060 2.553 9.656 1.00 0.00 N ATOM 0 H ARG A 89 1.415 -2.774 5.111 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.901 -1.432 4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.961 0.456 5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.106 -0.977 6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.577 -0.681 6.715 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.137 0.989 6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.115 -0.701 8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.293 0.311 8.868 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.454 2.115 7.808 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.787 -0.324 10.339 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.000 0.601 11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.012 3.296 8.959 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.691 2.641 10.453 1.00 0.00 H new ATOM 1349 N LEU A 90 0.652 0.104 2.914 1.00 0.00 N ATOM 1350 CA LEU A 90 1.593 0.813 2.054 1.00 0.00 C ATOM 1351 C LEU A 90 1.460 2.322 2.230 1.00 0.00 C ATOM 1352 O LEU A 90 0.358 2.843 2.398 1.00 0.00 O ATOM 1353 CB LEU A 90 1.361 0.436 0.590 1.00 0.00 C ATOM 1354 CG LEU A 90 2.405 0.939 -0.407 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.725 0.210 -0.211 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.906 0.769 -1.834 1.00 0.00 C ATOM 0 H LEU A 90 -0.325 0.197 2.636 1.00 0.00 H new ATOM 0 HA LEU A 90 2.602 0.520 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.314 -0.651 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.386 0.818 0.288 1.00 0.00 H new ATOM 0 HG LEU A 90 2.570 2.001 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.456 0.581 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.090 0.384 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.577 -0.859 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.662 1.132 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.711 -0.286 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.986 1.338 -1.968 1.00 0.00 H new ATOM 1368 N SER A 91 2.591 3.020 2.188 1.00 0.00 N ATOM 1369 CA SER A 91 2.601 4.469 2.344 1.00 0.00 C ATOM 1370 C SER A 91 3.716 5.098 1.513 1.00 0.00 C ATOM 1371 O SER A 91 4.822 4.564 1.435 1.00 0.00 O ATOM 1372 CB SER A 91 2.775 4.844 3.817 1.00 0.00 C ATOM 1373 OG SER A 91 4.102 4.600 4.252 1.00 0.00 O ATOM 0 H SER A 91 3.512 2.605 2.047 1.00 0.00 H new ATOM 0 HA SER A 91 1.645 4.854 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.530 5.897 3.959 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.078 4.269 4.427 1.00 0.00 H new ATOM 0 HG SER A 91 4.096 4.365 5.203 1.00 0.00 H new ATOM 1379 N ALA A 92 3.415 6.235 0.894 1.00 0.00 N ATOM 1380 CA ALA A 92 4.391 6.937 0.071 1.00 0.00 C ATOM 1381 C ALA A 92 4.942 8.161 0.796 1.00 0.00 C ATOM 1382 O ALA A 92 4.184 8.983 1.311 1.00 0.00 O ATOM 1383 CB ALA A 92 3.767 7.345 -1.255 1.00 0.00 C ATOM 0 H ALA A 92 2.503 6.689 0.947 1.00 0.00 H new ATOM 0 HA ALA A 92 5.221 6.257 -0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.507 7.869 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.428 6.456 -1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.918 8.003 -1.070 1.00 0.00 H new ATOM 1389 N ARG A 93 6.266 8.274 0.833 1.00 0.00 N ATOM 1390 CA ARG A 93 6.918 9.396 1.497 1.00 0.00 C ATOM 1391 C ARG A 93 7.787 10.178 0.517 1.00 0.00 C ATOM 1392 O ARG A 93 8.560 9.597 -0.243 1.00 0.00 O ATOM 1393 CB ARG A 93 7.771 8.899 2.666 1.00 0.00 C ATOM 1394 CG ARG A 93 8.719 9.951 3.219 1.00 0.00 C ATOM 1395 CD ARG A 93 9.847 9.319 4.019 1.00 0.00 C ATOM 1396 NE ARG A 93 10.937 10.258 4.264 1.00 0.00 N ATOM 1397 CZ ARG A 93 11.897 10.054 5.160 1.00 0.00 C ATOM 1398 NH1 ARG A 93 11.900 8.947 5.891 1.00 0.00 N ATOM 1399 NH2 ARG A 93 12.855 10.956 5.326 1.00 0.00 N ATOM 0 H ARG A 93 6.908 7.603 0.411 1.00 0.00 H new ATOM 0 HA ARG A 93 6.142 10.060 1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.113 8.559 3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.350 8.035 2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.136 10.534 2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.166 10.644 3.853 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.458 8.959 4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.230 8.451 3.482 1.00 0.00 H new ATOM 0 HE ARG A 93 10.963 11.119 3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.165 8.251 5.766 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.637 8.792 6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.856 11.808 4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.591 10.798 6.014 1.00 0.00 H new ATOM 1413 N ASN A 94 7.652 11.500 0.539 1.00 0.00 N ATOM 1414 CA ASN A 94 8.424 12.362 -0.349 1.00 0.00 C ATOM 1415 C ASN A 94 9.283 13.337 0.450 1.00 0.00 C ATOM 1416 O ASN A 94 9.205 13.386 1.678 1.00 0.00 O ATOM 1417 CB ASN A 94 7.489 13.136 -1.282 1.00 0.00 C ATOM 1418 CG ASN A 94 6.323 13.763 -0.542 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.142 13.542 0.655 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.525 14.550 -1.254 1.00 0.00 N ATOM 0 H ASN A 94 7.016 11.998 1.162 1.00 0.00 H new ATOM 0 HA ASN A 94 9.082 11.730 -0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.054 13.916 -1.792 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.109 12.463 -2.051 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.724 14.999 -0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.713 14.705 -2.244 1.00 0.00 H new ATOM 1427 N ASP A 95 10.102 14.110 -0.254 1.00 0.00 N ATOM 1428 CA ASP A 95 10.976 15.084 0.389 1.00 0.00 C ATOM 1429 C ASP A 95 10.294 15.708 1.602 1.00 0.00 C ATOM 1430 O ASP A 95 10.942 16.007 2.606 1.00 0.00 O ATOM 1431 CB ASP A 95 11.376 16.176 -0.605 1.00 0.00 C ATOM 1432 CG ASP A 95 12.103 17.327 0.062 1.00 0.00 C ATOM 1433 OD1 ASP A 95 11.573 17.868 1.055 1.00 0.00 O ATOM 1434 OD2 ASP A 95 13.202 17.688 -0.410 1.00 0.00 O ATOM 0 H ASP A 95 10.179 14.081 -1.271 1.00 0.00 H new ATOM 0 HA ASP A 95 11.873 14.564 0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.014 15.745 -1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.484 16.554 -1.104 1.00 0.00 H new ATOM 1439 N TYR A 96 8.984 15.902 1.503 1.00 0.00 N ATOM 1440 CA TYR A 96 8.214 16.494 2.591 1.00 0.00 C ATOM 1441 C TYR A 96 8.100 15.528 3.766 1.00 0.00 C ATOM 1442 O TYR A 96 8.708 15.735 4.816 1.00 0.00 O ATOM 1443 CB TYR A 96 6.818 16.886 2.102 1.00 0.00 C ATOM 1444 CG TYR A 96 6.833 17.774 0.878 1.00 0.00 C ATOM 1445 CD1 TYR A 96 6.914 17.230 -0.398 1.00 0.00 C ATOM 1446 CD2 TYR A 96 6.765 19.156 0.998 1.00 0.00 C ATOM 1447 CE1 TYR A 96 6.928 18.037 -1.519 1.00 0.00 C ATOM 1448 CE2 TYR A 96 6.777 19.972 -0.118 1.00 0.00 C ATOM 1449 CZ TYR A 96 6.859 19.407 -1.374 1.00 0.00 C ATOM 1450 OH TYR A 96 6.872 20.215 -2.488 1.00 0.00 O ATOM 0 H TYR A 96 8.433 15.658 0.680 1.00 0.00 H new ATOM 0 HA TYR A 96 8.738 17.388 2.928 1.00 0.00 H new ATOM 0 HB2 TYR A 96 6.253 15.981 1.877 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.291 17.399 2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.967 16.158 -0.515 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.702 19.601 1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.993 17.598 -2.504 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.723 21.045 -0.007 1.00 0.00 H new ATOM 0 HH TYR A 96 6.816 21.154 -2.212 1.00 0.00 H new ATOM 1460 N GLY A 97 7.317 14.470 3.580 1.00 0.00 N ATOM 1461 CA GLY A 97 7.137 13.486 4.632 1.00 0.00 C ATOM 1462 C GLY A 97 6.366 12.269 4.162 1.00 0.00 C ATOM 1463 O GLY A 97 6.065 12.135 2.976 1.00 0.00 O ATOM 0 H GLY A 97 6.804 14.276 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.113 13.173 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.610 13.945 5.468 1.00 0.00 H new ATOM 1467 N THR A 98 6.047 11.376 5.094 1.00 0.00 N ATOM 1468 CA THR A 98 5.309 10.162 4.768 1.00 0.00 C ATOM 1469 C THR A 98 3.806 10.413 4.779 1.00 0.00 C ATOM 1470 O THR A 98 3.248 10.859 5.782 1.00 0.00 O ATOM 1471 CB THR A 98 5.635 9.025 5.755 1.00 0.00 C ATOM 1472 OG1 THR A 98 7.043 8.988 6.013 1.00 0.00 O ATOM 1473 CG2 THR A 98 5.181 7.682 5.203 1.00 0.00 C ATOM 0 H THR A 98 6.288 11.471 6.081 1.00 0.00 H new ATOM 0 HA THR A 98 5.618 9.864 3.766 1.00 0.00 H new ATOM 0 HB THR A 98 5.100 9.218 6.685 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.241 8.264 6.643 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.422 6.895 5.917 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.104 7.703 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.691 7.485 4.260 1.00 0.00 H new ATOM 1481 N SER A 99 3.154 10.123 3.657 1.00 0.00 N ATOM 1482 CA SER A 99 1.714 10.320 3.536 1.00 0.00 C ATOM 1483 C SER A 99 0.952 9.203 4.241 1.00 0.00 C ATOM 1484 O SER A 99 1.449 8.085 4.376 1.00 0.00 O ATOM 1485 CB SER A 99 1.308 10.380 2.063 1.00 0.00 C ATOM 1486 OG SER A 99 1.750 9.228 1.365 1.00 0.00 O ATOM 0 H SER A 99 3.600 9.751 2.819 1.00 0.00 H new ATOM 0 HA SER A 99 1.460 11.266 4.014 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.224 10.463 1.984 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.730 11.273 1.602 1.00 0.00 H new ATOM 0 HG SER A 99 2.729 9.225 1.326 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.261 9.513 4.690 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.073 8.526 5.376 1.00 0.00 C ATOM 1494 C GLY A 100 -0.925 7.139 4.782 1.00 0.00 C ATOM 1495 O GLY A 100 -0.833 6.984 3.564 1.00 0.00 O ATOM 0 H GLY A 100 -0.695 10.431 4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.793 8.499 6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.120 8.827 5.332 1.00 0.00 H new ATOM 1499 N PHE A 101 -0.900 6.128 5.643 1.00 0.00 N ATOM 1500 CA PHE A 101 -0.758 4.747 5.197 1.00 0.00 C ATOM 1501 C PHE A 101 -2.048 4.249 4.550 1.00 0.00 C ATOM 1502 O PHE A 101 -3.103 4.870 4.686 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.384 3.844 6.374 1.00 0.00 C ATOM 1504 CG PHE A 101 0.891 4.247 7.057 1.00 0.00 C ATOM 1505 CD1 PHE A 101 0.883 5.204 8.059 1.00 0.00 C ATOM 1506 CD2 PHE A 101 2.098 3.669 6.697 1.00 0.00 C ATOM 1507 CE1 PHE A 101 2.055 5.578 8.690 1.00 0.00 C ATOM 1508 CE2 PHE A 101 3.273 4.038 7.325 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.252 4.995 8.321 1.00 0.00 C ATOM 0 H PHE A 101 -0.976 6.239 6.654 1.00 0.00 H new ATOM 0 HA PHE A 101 0.038 4.712 4.454 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.196 3.854 7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.288 2.818 6.018 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.050 5.663 8.351 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.121 2.922 5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.035 6.325 9.470 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.207 3.578 7.037 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.169 5.287 8.810 1.00 0.00 H new ATOM 1519 N SER A 102 -1.955 3.126 3.845 1.00 0.00 N ATOM 1520 CA SER A 102 -3.112 2.547 3.173 1.00 0.00 C ATOM 1521 C SER A 102 -4.025 1.844 4.173 1.00 0.00 C ATOM 1522 O SER A 102 -3.727 1.783 5.365 1.00 0.00 O ATOM 1523 CB SER A 102 -2.661 1.560 2.095 1.00 0.00 C ATOM 1524 OG SER A 102 -2.318 0.307 2.663 1.00 0.00 O ATOM 0 H SER A 102 -1.090 2.599 3.724 1.00 0.00 H new ATOM 0 HA SER A 102 -3.671 3.356 2.703 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.458 1.426 1.364 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.803 1.968 1.560 1.00 0.00 H new ATOM 0 HG SER A 102 -3.063 -0.319 2.548 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.139 1.315 3.677 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.097 0.617 4.526 1.00 0.00 C ATOM 1532 C GLU A 103 -5.496 -0.672 5.079 1.00 0.00 C ATOM 1533 O GLU A 103 -4.903 -1.458 4.341 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.373 0.303 3.743 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.342 1.471 3.663 1.00 0.00 C ATOM 1536 CD GLU A 103 -9.664 1.090 3.024 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -10.555 0.603 3.750 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -9.805 1.279 1.798 1.00 0.00 O ATOM 0 H GLU A 103 -5.400 1.357 2.692 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.345 1.270 5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.103 -0.004 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.876 -0.544 4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.525 1.856 4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.885 2.278 3.091 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.654 -0.880 6.382 1.00 0.00 N ATOM 1546 CA GLU A 104 -5.125 -2.072 7.034 1.00 0.00 C ATOM 1547 C GLU A 104 -5.679 -3.338 6.385 1.00 0.00 C ATOM 1548 O GLU A 104 -6.878 -3.608 6.450 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.467 -2.059 8.526 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.997 -0.807 9.247 1.00 0.00 C ATOM 1551 CD GLU A 104 -6.037 0.296 9.238 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -7.122 0.093 9.823 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -5.767 1.362 8.646 1.00 0.00 O ATOM 0 H GLU A 104 -6.144 -0.239 7.007 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.041 -2.068 6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.547 -2.152 8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.018 -2.932 9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.748 -1.058 10.278 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.083 -0.443 8.778 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.796 -4.110 5.760 1.00 0.00 N ATOM 1561 CA VAL A 105 -5.195 -5.347 5.099 1.00 0.00 C ATOM 1562 C VAL A 105 -4.739 -6.566 5.893 1.00 0.00 C ATOM 1563 O VAL A 105 -3.570 -6.676 6.265 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.621 -5.432 3.673 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -5.202 -4.334 2.796 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -3.102 -5.352 3.705 1.00 0.00 C ATOM 0 H VAL A 105 -3.800 -3.901 5.697 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.284 -5.340 5.044 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.903 -6.393 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.784 -4.411 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.286 -4.442 2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.953 -3.361 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.713 -5.414 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.797 -4.407 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.706 -6.178 4.296 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.668 -7.480 6.149 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.361 -8.693 6.899 1.00 0.00 C ATOM 1578 C LEU A 106 -5.201 -9.886 5.963 1.00 0.00 C ATOM 1579 O LEU A 106 -6.119 -10.234 5.220 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.464 -8.977 7.921 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.310 -10.262 8.735 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -5.062 -10.198 9.603 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.545 -10.503 9.590 1.00 0.00 C ATOM 0 H LEU A 106 -6.640 -7.404 5.849 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.418 -8.537 7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.516 -8.136 8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.418 -9.016 7.395 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.204 -11.097 8.043 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.969 -11.121 10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.184 -10.074 8.969 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.138 -9.353 10.287 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.418 -11.422 10.162 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.683 -9.666 10.274 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.420 -10.595 8.947 1.00 0.00 H new ATOM 1595 N TYR A 107 -4.029 -10.511 6.004 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.748 -11.665 5.159 1.00 0.00 C ATOM 1597 C TYR A 107 -3.456 -12.901 6.005 1.00 0.00 C ATOM 1598 O TYR A 107 -3.303 -12.812 7.223 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.562 -11.372 4.238 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.933 -10.573 3.009 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.576 -11.174 1.934 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.641 -9.218 2.923 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -3.917 -10.448 0.809 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -2.979 -8.484 1.803 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.616 -9.103 0.748 1.00 0.00 C ATOM 1606 OH TYR A 107 -3.953 -8.376 -0.370 1.00 0.00 O ATOM 0 H TYR A 107 -3.258 -10.237 6.614 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.631 -11.863 4.552 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.803 -10.828 4.799 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -2.113 -12.315 3.926 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.813 -12.227 1.978 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.141 -8.730 3.746 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.416 -10.931 -0.018 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.746 -7.431 1.754 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.380 -7.583 -0.429 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.380 -14.054 5.349 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.108 -15.309 6.039 1.00 0.00 C ATOM 1618 C TYR A 108 -2.275 -16.242 5.165 1.00 0.00 C ATOM 1619 O TYR A 108 -2.695 -16.630 4.074 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.419 -15.994 6.431 1.00 0.00 C ATOM 1621 CG TYR A 108 -4.915 -15.609 7.806 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.625 -14.430 8.005 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.675 -16.422 8.906 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -6.080 -14.074 9.259 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.128 -16.074 10.164 1.00 0.00 C ATOM 1626 CZ TYR A 108 -5.830 -14.899 10.336 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.281 -14.549 11.587 1.00 0.00 O ATOM 0 H TYR A 108 -3.503 -14.145 4.341 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.540 -15.083 6.941 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.184 -15.745 5.695 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.280 -17.074 6.393 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.824 -13.782 7.164 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.125 -17.342 8.776 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.629 -13.154 9.396 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.934 -16.719 11.008 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.022 -15.239 12.233 1.00 0.00 H new ATOM 1637 N THR A 109 -1.091 -16.599 5.653 1.00 0.00 N ATOM 1638 CA THR A 109 -0.198 -17.485 4.918 1.00 0.00 C ATOM 1639 C THR A 109 -0.971 -18.619 4.255 1.00 0.00 C ATOM 1640 O THR A 109 -2.100 -18.923 4.641 1.00 0.00 O ATOM 1641 CB THR A 109 0.881 -18.085 5.839 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.331 -18.341 7.136 1.00 0.00 O ATOM 1643 CG2 THR A 109 2.070 -17.145 5.964 1.00 0.00 C ATOM 0 H THR A 109 -0.729 -16.288 6.554 1.00 0.00 H new ATOM 0 HA THR A 109 0.285 -16.880 4.150 1.00 0.00 H new ATOM 0 HB THR A 109 1.223 -19.021 5.398 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.043 -18.295 7.808 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.819 -17.590 6.619 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.505 -16.975 4.979 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.740 -16.195 6.384 1.00 0.00 H new ATOM 1651 N SER A 110 -0.357 -19.243 3.255 1.00 0.00 N ATOM 1652 CA SER A 110 -0.989 -20.342 2.535 1.00 0.00 C ATOM 1653 C SER A 110 -1.857 -21.176 3.473 1.00 0.00 C ATOM 1654 O SER A 110 -3.027 -21.431 3.192 1.00 0.00 O ATOM 1655 CB SER A 110 0.071 -21.229 1.880 1.00 0.00 C ATOM 1656 OG SER A 110 -0.527 -22.281 1.143 1.00 0.00 O ATOM 0 H SER A 110 0.578 -19.006 2.925 1.00 0.00 H new ATOM 0 HA SER A 110 -1.625 -19.917 1.759 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.695 -20.627 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.726 -21.644 2.646 1.00 0.00 H new ATOM 0 HG SER A 110 0.172 -22.832 0.733 1.00 0.00 H new