USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 526 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 72 CYS SG : rot 180:sc= -0.13 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 148:sc= -4.15! (180deg=-6.71!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -145:sc= 0.699 (180deg=0.00769) USER MOD Single : A 27 ASN : amide:sc= -0.035 X(o=-0.035,f=-0.41) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 43:sc= 0.669 USER MOD Single : A 42 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-1.4) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -1.5! C(o=-1.5!,f=-3.2!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -103:sc= 0.685 USER MOD Single : A 63 SER OG : rot -85:sc= 0.368 USER MOD Single : A 67 HIS : no HD1:sc= -0.906 K(o=-0.91,f=-1.4) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -80:sc= 0.838 USER MOD Single : A 77 HIS : no HD1:sc= -0.0784 X(o=-0.078,f=-0.078) USER MOD Single : A 80 GLN : amide:sc= -0.0653 K(o=-0.065,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 15.055 0.521 -0.960 1.00 0.00 N ATOM 158 CA PHE A 14 13.854 -0.305 -0.916 1.00 0.00 C ATOM 159 C PHE A 14 14.181 -1.715 -0.433 1.00 0.00 C ATOM 160 O PHE A 14 15.340 -2.040 -0.176 1.00 0.00 O ATOM 161 CB PHE A 14 13.201 -0.366 -2.299 1.00 0.00 C ATOM 162 CG PHE A 14 12.507 0.906 -2.691 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.179 2.117 -2.657 1.00 0.00 C ATOM 164 CD2 PHE A 14 11.181 0.892 -3.092 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.543 3.290 -3.017 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.540 2.062 -3.454 1.00 0.00 C ATOM 167 CZ PHE A 14 11.221 3.262 -3.415 1.00 0.00 C ATOM 0 HA PHE A 14 13.157 0.149 -0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.964 -0.598 -3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.480 -1.184 -2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.213 2.145 -2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.642 -0.043 -3.122 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.079 4.227 -2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.507 2.037 -3.767 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.721 4.177 -3.695 1.00 0.00 H new ATOM 177 N GLN A 15 13.151 -2.546 -0.310 1.00 0.00 N ATOM 178 CA GLN A 15 13.329 -3.920 0.144 1.00 0.00 C ATOM 179 C GLN A 15 12.283 -4.838 -0.479 1.00 0.00 C ATOM 180 O GLN A 15 11.262 -4.378 -0.990 1.00 0.00 O ATOM 181 CB GLN A 15 13.243 -3.990 1.669 1.00 0.00 C ATOM 182 CG GLN A 15 14.238 -3.084 2.377 1.00 0.00 C ATOM 183 CD GLN A 15 14.471 -3.488 3.819 1.00 0.00 C ATOM 184 OE1 GLN A 15 13.628 -4.137 4.439 1.00 0.00 O ATOM 185 NE2 GLN A 15 15.621 -3.106 4.363 1.00 0.00 N ATOM 0 H GLN A 15 12.185 -2.292 -0.518 1.00 0.00 H new ATOM 0 HA GLN A 15 14.316 -4.256 -0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.234 -3.721 1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.411 -5.019 1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.187 -3.103 1.840 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.875 -2.057 2.346 1.00 0.00 H new ATOM 0 HE21 GLN A 15 16.292 -2.569 3.813 1.00 0.00 H new ATOM 0 HE22 GLN A 15 15.833 -3.350 5.330 1.00 0.00 H new ATOM 194 N LYS A 16 12.544 -6.140 -0.434 1.00 0.00 N ATOM 195 CA LYS A 16 11.625 -7.125 -0.993 1.00 0.00 C ATOM 196 C LYS A 16 10.622 -7.592 0.058 1.00 0.00 C ATOM 197 O LYS A 16 10.940 -7.663 1.245 1.00 0.00 O ATOM 198 CB LYS A 16 12.402 -8.325 -1.540 1.00 0.00 C ATOM 199 CG LYS A 16 12.898 -8.131 -2.962 1.00 0.00 C ATOM 200 CD LYS A 16 14.138 -8.964 -3.238 1.00 0.00 C ATOM 201 CE LYS A 16 14.220 -9.373 -4.701 1.00 0.00 C ATOM 202 NZ LYS A 16 15.323 -10.344 -4.945 1.00 0.00 N ATOM 0 H LYS A 16 13.385 -6.538 -0.016 1.00 0.00 H new ATOM 0 HA LYS A 16 11.077 -6.652 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.255 -8.522 -0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.763 -9.208 -1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.110 -8.406 -3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.121 -7.077 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.028 -8.395 -2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.126 -9.855 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.272 -9.815 -5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.373 -8.487 -5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.345 -10.598 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.231 -9.913 -4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.164 -11.200 -4.376 1.00 0.00 H new ATOM 216 N LYS A 17 9.411 -7.909 -0.387 1.00 0.00 N ATOM 217 CA LYS A 17 8.362 -8.372 0.514 1.00 0.00 C ATOM 218 C LYS A 17 7.875 -7.238 1.411 1.00 0.00 C ATOM 219 O LYS A 17 7.365 -7.475 2.505 1.00 0.00 O ATOM 220 CB LYS A 17 8.873 -9.531 1.373 1.00 0.00 C ATOM 221 CG LYS A 17 9.627 -10.587 0.582 1.00 0.00 C ATOM 222 CD LYS A 17 9.937 -11.806 1.435 1.00 0.00 C ATOM 223 CE LYS A 17 8.703 -12.673 1.637 1.00 0.00 C ATOM 224 NZ LYS A 17 8.977 -13.825 2.540 1.00 0.00 N ATOM 0 H LYS A 17 9.131 -7.854 -1.366 1.00 0.00 H new ATOM 0 HA LYS A 17 7.525 -8.718 -0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.527 -9.136 2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.027 -10.000 1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.035 -10.888 -0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.556 -10.163 0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.722 -12.394 0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.321 -11.486 2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.898 -12.068 2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.357 -13.042 0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.112 -14.391 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.727 -14.417 2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.283 -13.472 3.469 1.00 0.00 H new ATOM 238 N MET A 18 8.036 -6.006 0.938 1.00 0.00 N ATOM 239 CA MET A 18 7.610 -4.836 1.697 1.00 0.00 C ATOM 240 C MET A 18 6.405 -4.170 1.039 1.00 0.00 C ATOM 241 O MET A 18 5.951 -4.595 -0.023 1.00 0.00 O ATOM 242 CB MET A 18 8.759 -3.833 1.816 1.00 0.00 C ATOM 243 CG MET A 18 8.844 -2.864 0.648 1.00 0.00 C ATOM 244 SD MET A 18 10.060 -1.560 0.914 1.00 0.00 S ATOM 245 CE MET A 18 9.843 -0.586 -0.573 1.00 0.00 C ATOM 0 H MET A 18 8.458 -5.793 0.034 1.00 0.00 H new ATOM 0 HA MET A 18 7.321 -5.167 2.694 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.641 -3.266 2.740 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.700 -4.378 1.894 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.099 -3.414 -0.258 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.865 -2.414 0.482 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.040 0.463 -0.353 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.536 -0.933 -1.339 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.820 -0.695 -0.933 1.00 0.00 H new ATOM 255 N LYS A 19 5.891 -3.125 1.678 1.00 0.00 N ATOM 256 CA LYS A 19 4.739 -2.399 1.155 1.00 0.00 C ATOM 257 C LYS A 19 5.106 -0.954 0.833 1.00 0.00 C ATOM 258 O LYS A 19 6.025 -0.389 1.428 1.00 0.00 O ATOM 259 CB LYS A 19 3.589 -2.432 2.164 1.00 0.00 C ATOM 260 CG LYS A 19 2.891 -3.779 2.247 1.00 0.00 C ATOM 261 CD LYS A 19 2.360 -4.216 0.892 1.00 0.00 C ATOM 262 CE LYS A 19 1.120 -5.086 1.034 1.00 0.00 C ATOM 263 NZ LYS A 19 1.440 -6.416 1.623 1.00 0.00 N ATOM 0 H LYS A 19 6.254 -2.761 2.559 1.00 0.00 H new ATOM 0 HA LYS A 19 4.421 -2.888 0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.974 -2.170 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.858 -1.669 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.587 -4.528 2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.068 -3.720 2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.123 -3.337 0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.133 -4.767 0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.389 -4.577 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.659 -5.223 0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.569 -6.979 1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.118 -6.913 1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.857 -6.286 2.567 1.00 0.00 H new ATOM 277 N LEU A 20 4.383 -0.360 -0.109 1.00 0.00 N ATOM 278 CA LEU A 20 4.631 1.020 -0.509 1.00 0.00 C ATOM 279 C LEU A 20 3.491 1.552 -1.371 1.00 0.00 C ATOM 280 O LEU A 20 2.953 0.835 -2.215 1.00 0.00 O ATOM 281 CB LEU A 20 5.953 1.121 -1.272 1.00 0.00 C ATOM 282 CG LEU A 20 5.859 1.014 -2.794 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.688 2.391 -3.417 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.092 0.322 -3.358 1.00 0.00 C ATOM 0 H LEU A 20 3.619 -0.813 -0.611 1.00 0.00 H new ATOM 0 HA LEU A 20 4.692 1.628 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.421 2.073 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.618 0.335 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 20 4.984 0.414 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.623 2.294 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.775 2.851 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.543 3.016 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.007 0.255 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.982 0.895 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.171 -0.681 -2.937 1.00 0.00 H new ATOM 296 N GLU A 21 3.130 2.812 -1.155 1.00 0.00 N ATOM 297 CA GLU A 21 2.054 3.439 -1.914 1.00 0.00 C ATOM 298 C GLU A 21 2.557 3.925 -3.270 1.00 0.00 C ATOM 299 O GLU A 21 3.430 4.790 -3.348 1.00 0.00 O ATOM 300 CB GLU A 21 1.461 4.611 -1.129 1.00 0.00 C ATOM 301 CG GLU A 21 0.802 4.197 0.177 1.00 0.00 C ATOM 302 CD GLU A 21 0.160 5.364 0.901 1.00 0.00 C ATOM 303 OE1 GLU A 21 0.487 6.522 0.569 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.671 5.118 1.801 1.00 0.00 O ATOM 0 H GLU A 21 3.566 3.419 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 21 1.278 2.692 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.251 5.331 -0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.726 5.120 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.045 3.439 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.547 3.737 0.826 1.00 0.00 H new ATOM 311 N VAL A 22 2.000 3.362 -4.338 1.00 0.00 N ATOM 312 CA VAL A 22 2.391 3.737 -5.692 1.00 0.00 C ATOM 313 C VAL A 22 1.272 4.496 -6.396 1.00 0.00 C ATOM 314 O VAL A 22 0.094 4.182 -6.231 1.00 0.00 O ATOM 315 CB VAL A 22 2.764 2.500 -6.531 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.066 2.901 -7.967 1.00 0.00 C ATOM 317 CG2 VAL A 22 3.948 1.774 -5.911 1.00 0.00 C ATOM 0 H VAL A 22 1.277 2.644 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 22 3.264 4.383 -5.602 1.00 0.00 H new ATOM 0 HB VAL A 22 1.914 1.818 -6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.328 2.015 -8.545 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.187 3.374 -8.405 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.900 3.602 -7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.198 0.903 -6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.806 2.446 -5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.690 1.453 -4.902 1.00 0.00 H new ATOM 327 N VAL A 23 1.650 5.499 -7.183 1.00 0.00 N ATOM 328 CA VAL A 23 0.679 6.303 -7.915 1.00 0.00 C ATOM 329 C VAL A 23 0.335 5.665 -9.256 1.00 0.00 C ATOM 330 O VAL A 23 1.202 5.489 -10.112 1.00 0.00 O ATOM 331 CB VAL A 23 1.203 7.731 -8.158 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.210 8.530 -8.988 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.486 8.427 -6.836 1.00 0.00 C ATOM 0 H VAL A 23 2.621 5.774 -7.330 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.219 6.353 -7.299 1.00 0.00 H new ATOM 0 HB VAL A 23 2.137 7.666 -8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.597 9.536 -9.149 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.062 8.039 -9.950 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.742 8.588 -8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.855 9.435 -7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.569 8.482 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.237 7.864 -6.282 1.00 0.00 H new ATOM 343 N ASP A 24 -0.936 5.320 -9.432 1.00 0.00 N ATOM 344 CA ASP A 24 -1.396 4.702 -10.670 1.00 0.00 C ATOM 345 C ASP A 24 -0.956 5.518 -11.881 1.00 0.00 C ATOM 346 O ASP A 24 -1.473 6.608 -12.130 1.00 0.00 O ATOM 347 CB ASP A 24 -2.919 4.561 -10.659 1.00 0.00 C ATOM 348 CG ASP A 24 -3.409 3.492 -11.617 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.927 3.462 -12.769 1.00 0.00 O ATOM 350 OD2 ASP A 24 -4.272 2.686 -11.214 1.00 0.00 O ATOM 0 H ASP A 24 -1.666 5.458 -8.733 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.948 3.711 -10.741 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.251 4.320 -9.649 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.371 5.517 -10.924 1.00 0.00 H new ATOM 355 N LYS A 25 0.001 4.985 -12.632 1.00 0.00 N ATOM 356 CA LYS A 25 0.512 5.662 -13.817 1.00 0.00 C ATOM 357 C LYS A 25 -0.626 6.282 -14.622 1.00 0.00 C ATOM 358 O LYS A 25 -0.638 7.487 -14.872 1.00 0.00 O ATOM 359 CB LYS A 25 1.295 4.682 -14.693 1.00 0.00 C ATOM 360 CG LYS A 25 1.951 3.557 -13.910 1.00 0.00 C ATOM 361 CD LYS A 25 2.739 4.088 -12.725 1.00 0.00 C ATOM 362 CE LYS A 25 4.136 4.526 -13.135 1.00 0.00 C ATOM 363 NZ LYS A 25 5.043 3.363 -13.342 1.00 0.00 N ATOM 0 H LYS A 25 0.439 4.084 -12.440 1.00 0.00 H new ATOM 0 HA LYS A 25 1.179 6.459 -13.489 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.622 4.253 -15.435 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.063 5.230 -15.239 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.187 2.863 -13.559 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.615 2.994 -14.567 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.208 4.930 -12.282 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.809 3.316 -11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.079 5.110 -14.054 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.552 5.179 -12.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.005 3.615 -13.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.704 2.554 -12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.055 3.107 -14.350 1.00 0.00 H new ATOM 377 N ARG A 26 -1.582 5.450 -15.025 1.00 0.00 N ATOM 378 CA ARG A 26 -2.724 5.916 -15.801 1.00 0.00 C ATOM 379 C ARG A 26 -3.543 6.930 -15.007 1.00 0.00 C ATOM 380 O ARG A 26 -4.111 7.863 -15.573 1.00 0.00 O ATOM 381 CB ARG A 26 -3.608 4.736 -16.207 1.00 0.00 C ATOM 382 CG ARG A 26 -2.856 3.419 -16.309 1.00 0.00 C ATOM 383 CD ARG A 26 -3.595 2.422 -17.188 1.00 0.00 C ATOM 384 NE ARG A 26 -4.034 3.022 -18.446 1.00 0.00 N ATOM 385 CZ ARG A 26 -4.910 2.452 -19.266 1.00 0.00 C ATOM 386 NH1 ARG A 26 -5.439 1.274 -18.962 1.00 0.00 N ATOM 387 NH2 ARG A 26 -5.260 3.060 -20.392 1.00 0.00 N ATOM 0 H ARG A 26 -1.587 4.450 -14.826 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.346 6.403 -16.700 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.414 4.629 -15.480 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.073 4.955 -17.168 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.861 3.598 -16.717 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.721 2.998 -15.313 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.945 1.573 -17.399 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.460 2.035 -16.649 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.647 3.928 -18.709 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.173 0.804 -18.097 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.111 0.839 -19.593 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.856 3.966 -20.629 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.933 2.621 -21.021 1.00 0.00 H new ATOM 401 N ASN A 27 -3.600 6.738 -13.693 1.00 0.00 N ATOM 402 CA ASN A 27 -4.350 7.635 -12.821 1.00 0.00 C ATOM 403 C ASN A 27 -3.443 8.244 -11.756 1.00 0.00 C ATOM 404 O ASN A 27 -3.251 7.685 -10.676 1.00 0.00 O ATOM 405 CB ASN A 27 -5.505 6.884 -12.155 1.00 0.00 C ATOM 406 CG ASN A 27 -6.780 6.939 -12.975 1.00 0.00 C ATOM 407 OD1 ASN A 27 -7.196 8.008 -13.424 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.406 5.785 -13.174 1.00 0.00 N ATOM 0 H ASN A 27 -3.136 5.970 -13.209 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.754 8.442 -13.432 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.219 5.843 -12.003 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.692 7.310 -11.169 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.268 5.760 -13.718 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.024 4.924 -12.783 1.00 0.00 H new ATOM 415 N PRO A 28 -2.872 9.417 -12.066 1.00 0.00 N ATOM 416 CA PRO A 28 -1.977 10.128 -11.148 1.00 0.00 C ATOM 417 C PRO A 28 -2.715 10.695 -9.940 1.00 0.00 C ATOM 418 O PRO A 28 -2.097 11.192 -9.000 1.00 0.00 O ATOM 419 CB PRO A 28 -1.413 11.261 -12.010 1.00 0.00 C ATOM 420 CG PRO A 28 -2.443 11.486 -13.062 1.00 0.00 C ATOM 421 CD PRO A 28 -3.057 10.140 -13.335 1.00 0.00 C ATOM 0 HA PRO A 28 -1.215 9.470 -10.731 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.247 12.162 -11.420 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.454 10.985 -12.448 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.197 12.198 -12.724 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.995 11.901 -13.965 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.111 10.225 -13.599 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.561 9.633 -14.163 1.00 0.00 H new ATOM 429 N MET A 29 -4.042 10.615 -9.973 1.00 0.00 N ATOM 430 CA MET A 29 -4.864 11.119 -8.879 1.00 0.00 C ATOM 431 C MET A 29 -5.353 9.975 -7.995 1.00 0.00 C ATOM 432 O MET A 29 -6.227 10.162 -7.148 1.00 0.00 O ATOM 433 CB MET A 29 -6.058 11.901 -9.429 1.00 0.00 C ATOM 434 CG MET A 29 -6.950 11.082 -10.349 1.00 0.00 C ATOM 435 SD MET A 29 -8.100 12.103 -11.290 1.00 0.00 S ATOM 436 CE MET A 29 -7.087 12.544 -12.699 1.00 0.00 C ATOM 0 H MET A 29 -4.570 10.207 -10.744 1.00 0.00 H new ATOM 0 HA MET A 29 -4.250 11.786 -8.273 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.654 12.272 -8.595 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.692 12.772 -9.972 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.328 10.512 -11.039 1.00 0.00 H new ATOM 0 HG3 MET A 29 -7.512 10.360 -9.756 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.661 13.177 -13.376 1.00 0.00 H new ATOM 0 HE2 MET A 29 -6.204 13.084 -12.357 1.00 0.00 H new ATOM 0 HE3 MET A 29 -6.779 11.639 -13.223 1.00 0.00 H new ATOM 446 N PHE A 30 -4.785 8.791 -8.199 1.00 0.00 N ATOM 447 CA PHE A 30 -5.165 7.618 -7.421 1.00 0.00 C ATOM 448 C PHE A 30 -3.931 6.837 -6.978 1.00 0.00 C ATOM 449 O PHE A 30 -3.029 6.577 -7.775 1.00 0.00 O ATOM 450 CB PHE A 30 -6.087 6.713 -8.241 1.00 0.00 C ATOM 451 CG PHE A 30 -7.516 7.175 -8.261 1.00 0.00 C ATOM 452 CD1 PHE A 30 -8.350 6.937 -7.181 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.026 7.846 -9.361 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.666 7.361 -7.196 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.340 8.273 -9.381 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.162 8.028 -8.298 1.00 0.00 C ATOM 0 H PHE A 30 -4.060 8.619 -8.896 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.697 7.958 -6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.716 6.661 -9.265 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.046 5.702 -7.835 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.968 6.414 -6.317 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.389 8.037 -10.212 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.305 7.171 -6.346 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.724 8.798 -10.243 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.190 8.358 -8.314 1.00 0.00 H new ATOM 466 N ILE A 31 -3.899 6.466 -5.702 1.00 0.00 N ATOM 467 CA ILE A 31 -2.778 5.715 -5.153 1.00 0.00 C ATOM 468 C ILE A 31 -3.256 4.453 -4.444 1.00 0.00 C ATOM 469 O ILE A 31 -4.313 4.446 -3.812 1.00 0.00 O ATOM 470 CB ILE A 31 -1.960 6.567 -4.164 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.422 7.819 -4.860 1.00 0.00 C ATOM 472 CG2 ILE A 31 -0.819 5.749 -3.578 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.173 8.975 -3.917 1.00 0.00 C ATOM 0 H ILE A 31 -4.637 6.674 -5.029 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.142 5.438 -5.994 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.613 6.879 -3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.491 7.570 -5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.131 8.132 -5.626 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.250 6.365 -2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.224 4.885 -3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.164 5.411 -4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.793 9.828 -4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.106 9.251 -3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.441 8.680 -3.165 1.00 0.00 H new ATOM 485 N ARG A 32 -2.470 3.387 -4.551 1.00 0.00 N ATOM 486 CA ARG A 32 -2.813 2.118 -3.919 1.00 0.00 C ATOM 487 C ARG A 32 -1.569 1.437 -3.357 1.00 0.00 C ATOM 488 O ARG A 32 -0.444 1.769 -3.731 1.00 0.00 O ATOM 489 CB ARG A 32 -3.504 1.194 -4.923 1.00 0.00 C ATOM 490 CG ARG A 32 -4.783 1.773 -5.504 1.00 0.00 C ATOM 491 CD ARG A 32 -5.465 0.789 -6.441 1.00 0.00 C ATOM 492 NE ARG A 32 -6.514 1.425 -7.234 1.00 0.00 N ATOM 493 CZ ARG A 32 -6.276 2.323 -8.183 1.00 0.00 C ATOM 494 NH1 ARG A 32 -5.031 2.688 -8.458 1.00 0.00 N ATOM 495 NH2 ARG A 32 -7.284 2.857 -8.861 1.00 0.00 N ATOM 0 H ARG A 32 -1.591 3.376 -5.069 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.497 2.324 -3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.813 0.974 -5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.733 0.247 -4.434 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.464 2.038 -4.695 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.555 2.692 -6.043 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.723 0.349 -7.108 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.894 -0.027 -5.860 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.483 1.165 -7.049 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.253 2.279 -7.940 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.851 3.378 -9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.243 2.578 -8.653 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.100 3.547 -9.590 1.00 0.00 H new ATOM 509 N VAL A 33 -1.779 0.483 -2.455 1.00 0.00 N ATOM 510 CA VAL A 33 -0.675 -0.246 -1.842 1.00 0.00 C ATOM 511 C VAL A 33 0.033 -1.131 -2.861 1.00 0.00 C ATOM 512 O VAL A 33 -0.592 -1.661 -3.779 1.00 0.00 O ATOM 513 CB VAL A 33 -1.161 -1.119 -0.670 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.031 -1.996 -0.152 1.00 0.00 C ATOM 515 CG2 VAL A 33 -1.725 -0.249 0.444 1.00 0.00 C ATOM 0 H VAL A 33 -2.704 0.197 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 33 0.025 0.499 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.957 -1.770 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.394 -2.605 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.322 -2.645 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.789 -1.366 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.064 -0.882 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.951 0.428 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.565 0.331 0.063 1.00 0.00 H new ATOM 525 N ALA A 34 1.342 -1.287 -2.693 1.00 0.00 N ATOM 526 CA ALA A 34 2.136 -2.111 -3.597 1.00 0.00 C ATOM 527 C ALA A 34 3.050 -3.053 -2.821 1.00 0.00 C ATOM 528 O ALA A 34 3.280 -2.868 -1.625 1.00 0.00 O ATOM 529 CB ALA A 34 2.952 -1.231 -4.533 1.00 0.00 C ATOM 0 H ALA A 34 1.875 -0.854 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 34 1.453 -2.718 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.540 -1.859 -5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.281 -0.604 -5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.620 -0.599 -3.948 1.00 0.00 H new ATOM 535 N THR A 35 3.571 -4.064 -3.509 1.00 0.00 N ATOM 536 CA THR A 35 4.459 -5.036 -2.884 1.00 0.00 C ATOM 537 C THR A 35 5.722 -5.239 -3.713 1.00 0.00 C ATOM 538 O THR A 35 5.666 -5.739 -4.837 1.00 0.00 O ATOM 539 CB THR A 35 3.759 -6.395 -2.694 1.00 0.00 C ATOM 540 OG1 THR A 35 2.549 -6.223 -1.949 1.00 0.00 O ATOM 541 CG2 THR A 35 4.670 -7.376 -1.971 1.00 0.00 C ATOM 0 H THR A 35 3.393 -4.231 -4.499 1.00 0.00 H new ATOM 0 HA THR A 35 4.729 -4.635 -1.907 1.00 0.00 H new ATOM 0 HB THR A 35 3.524 -6.799 -3.679 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.109 -7.091 -1.834 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.154 -8.328 -1.848 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.578 -7.527 -2.555 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.931 -6.976 -0.991 1.00 0.00 H new ATOM 549 N VAL A 36 6.862 -4.849 -3.152 1.00 0.00 N ATOM 550 CA VAL A 36 8.140 -4.990 -3.839 1.00 0.00 C ATOM 551 C VAL A 36 8.496 -6.459 -4.041 1.00 0.00 C ATOM 552 O VAL A 36 8.901 -7.145 -3.104 1.00 0.00 O ATOM 553 CB VAL A 36 9.276 -4.302 -3.059 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.546 -4.255 -3.895 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.856 -2.903 -2.633 1.00 0.00 C ATOM 0 H VAL A 36 6.926 -4.433 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 36 8.032 -4.507 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 36 9.483 -4.885 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.337 -3.765 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.854 -5.270 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.358 -3.696 -4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.670 -2.430 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.622 -2.309 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.975 -2.966 -1.994 1.00 0.00 H new ATOM 565 N ALA A 37 8.342 -6.935 -5.273 1.00 0.00 N ATOM 566 CA ALA A 37 8.650 -8.322 -5.600 1.00 0.00 C ATOM 567 C ALA A 37 10.130 -8.494 -5.924 1.00 0.00 C ATOM 568 O ALA A 37 10.747 -9.489 -5.542 1.00 0.00 O ATOM 569 CB ALA A 37 7.794 -8.791 -6.767 1.00 0.00 C ATOM 0 H ALA A 37 8.006 -6.381 -6.060 1.00 0.00 H new ATOM 0 HA ALA A 37 8.423 -8.935 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.034 -9.828 -7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.740 -8.714 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.993 -8.167 -7.638 1.00 0.00 H new ATOM 575 N ASP A 38 10.693 -7.521 -6.630 1.00 0.00 N ATOM 576 CA ASP A 38 12.102 -7.565 -7.005 1.00 0.00 C ATOM 577 C ASP A 38 12.692 -6.159 -7.066 1.00 0.00 C ATOM 578 O ASP A 38 12.064 -5.231 -7.577 1.00 0.00 O ATOM 579 CB ASP A 38 12.270 -8.261 -8.357 1.00 0.00 C ATOM 580 CG ASP A 38 13.640 -8.891 -8.517 1.00 0.00 C ATOM 581 OD1 ASP A 38 13.927 -9.874 -7.803 1.00 0.00 O ATOM 582 OD2 ASP A 38 14.424 -8.400 -9.356 1.00 0.00 O ATOM 0 H ASP A 38 10.196 -6.692 -6.955 1.00 0.00 H new ATOM 0 HA ASP A 38 12.638 -8.132 -6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.505 -9.030 -8.464 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.110 -7.538 -9.157 1.00 0.00 H new ATOM 587 N THR A 39 13.904 -6.009 -6.540 1.00 0.00 N ATOM 588 CA THR A 39 14.579 -4.717 -6.532 1.00 0.00 C ATOM 589 C THR A 39 15.788 -4.722 -7.461 1.00 0.00 C ATOM 590 O THR A 39 16.784 -5.395 -7.195 1.00 0.00 O ATOM 591 CB THR A 39 15.037 -4.332 -5.113 1.00 0.00 C ATOM 592 OG1 THR A 39 15.937 -5.323 -4.603 1.00 0.00 O ATOM 593 CG2 THR A 39 13.845 -4.192 -4.178 1.00 0.00 C ATOM 0 H THR A 39 14.438 -6.766 -6.114 1.00 0.00 H new ATOM 0 HA THR A 39 13.857 -3.981 -6.885 1.00 0.00 H new ATOM 0 HB THR A 39 15.549 -3.371 -5.169 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.567 -5.586 -5.306 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.194 -3.920 -3.182 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.177 -3.416 -4.553 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.309 -5.140 -4.128 1.00 0.00 H new ATOM 601 N ASP A 40 15.694 -3.968 -8.550 1.00 0.00 N ATOM 602 CA ASP A 40 16.781 -3.885 -9.518 1.00 0.00 C ATOM 603 C ASP A 40 17.842 -2.890 -9.059 1.00 0.00 C ATOM 604 O ASP A 40 17.730 -2.299 -7.985 1.00 0.00 O ATOM 605 CB ASP A 40 16.242 -3.477 -10.890 1.00 0.00 C ATOM 606 CG ASP A 40 17.083 -4.020 -12.028 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.517 -5.189 -11.941 1.00 0.00 O ATOM 608 OD2 ASP A 40 17.307 -3.278 -13.006 1.00 0.00 O ATOM 0 H ASP A 40 14.876 -3.405 -8.785 1.00 0.00 H new ATOM 0 HA ASP A 40 17.241 -4.870 -9.596 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.218 -3.835 -10.996 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.207 -2.389 -10.955 1.00 0.00 H new ATOM 613 N ASP A 41 18.872 -2.710 -9.879 1.00 0.00 N ATOM 614 CA ASP A 41 19.954 -1.786 -9.557 1.00 0.00 C ATOM 615 C ASP A 41 19.401 -0.452 -9.066 1.00 0.00 C ATOM 616 O ASP A 41 19.732 0.004 -7.971 1.00 0.00 O ATOM 617 CB ASP A 41 20.844 -1.564 -10.780 1.00 0.00 C ATOM 618 CG ASP A 41 21.728 -2.759 -11.078 1.00 0.00 C ATOM 619 OD1 ASP A 41 22.678 -3.002 -10.304 1.00 0.00 O ATOM 620 OD2 ASP A 41 21.471 -3.452 -12.085 1.00 0.00 O ATOM 0 H ASP A 41 18.981 -3.192 -10.772 1.00 0.00 H new ATOM 0 HA ASP A 41 20.550 -2.227 -8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.218 -1.353 -11.647 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.468 -0.686 -10.617 1.00 0.00 H new ATOM 625 N HIS A 42 18.557 0.170 -9.883 1.00 0.00 N ATOM 626 CA HIS A 42 17.958 1.453 -9.532 1.00 0.00 C ATOM 627 C HIS A 42 16.452 1.434 -9.774 1.00 0.00 C ATOM 628 O HIS A 42 15.846 2.467 -10.057 1.00 0.00 O ATOM 629 CB HIS A 42 18.602 2.579 -10.341 1.00 0.00 C ATOM 630 CG HIS A 42 20.056 2.356 -10.625 1.00 0.00 C ATOM 631 ND1 HIS A 42 21.062 3.061 -9.998 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.671 1.500 -11.474 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.232 2.649 -10.450 1.00 0.00 C ATOM 634 NE2 HIS A 42 22.023 1.702 -11.346 1.00 0.00 N ATOM 0 H HIS A 42 18.272 -0.193 -10.793 1.00 0.00 H new ATOM 0 HA HIS A 42 18.136 1.631 -8.471 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.068 2.688 -11.285 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.486 3.517 -9.799 1.00 0.00 H new ATOM 0 HD2 HIS A 42 20.188 0.790 -12.130 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.196 3.023 -10.140 1.00 0.00 H new ATOM 0 HE2 HIS A 42 22.748 1.202 -11.860 1.00 0.00 H new ATOM 643 N ARG A 43 15.854 0.252 -9.661 1.00 0.00 N ATOM 644 CA ARG A 43 14.419 0.098 -9.869 1.00 0.00 C ATOM 645 C ARG A 43 13.846 -0.969 -8.942 1.00 0.00 C ATOM 646 O ARG A 43 14.588 -1.694 -8.279 1.00 0.00 O ATOM 647 CB ARG A 43 14.131 -0.269 -11.326 1.00 0.00 C ATOM 648 CG ARG A 43 14.842 0.622 -12.331 1.00 0.00 C ATOM 649 CD ARG A 43 14.234 0.493 -13.719 1.00 0.00 C ATOM 650 NE ARG A 43 14.869 -0.566 -14.499 1.00 0.00 N ATOM 651 CZ ARG A 43 14.816 -0.635 -15.824 1.00 0.00 C ATOM 652 NH1 ARG A 43 14.161 0.290 -16.514 1.00 0.00 N ATOM 653 NH2 ARG A 43 15.419 -1.629 -16.463 1.00 0.00 N ATOM 0 H ARG A 43 16.341 -0.613 -9.427 1.00 0.00 H new ATOM 0 HA ARG A 43 13.940 1.049 -9.639 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.428 -1.304 -11.497 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.056 -0.213 -11.500 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.785 1.660 -12.003 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.899 0.357 -12.370 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.167 0.287 -13.630 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.333 1.441 -14.247 1.00 0.00 H new ATOM 0 HE ARG A 43 15.381 -1.292 -13.999 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.697 1.056 -16.027 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.122 0.235 -17.532 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.924 -2.342 -15.936 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.377 -1.681 -17.481 1.00 0.00 H new ATOM 667 N VAL A 44 12.521 -1.059 -8.899 1.00 0.00 N ATOM 668 CA VAL A 44 11.848 -2.037 -8.053 1.00 0.00 C ATOM 669 C VAL A 44 10.473 -2.391 -8.609 1.00 0.00 C ATOM 670 O VAL A 44 9.626 -1.518 -8.803 1.00 0.00 O ATOM 671 CB VAL A 44 11.689 -1.519 -6.612 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.049 -1.245 -5.990 1.00 0.00 C ATOM 673 CG2 VAL A 44 10.821 -0.269 -6.589 1.00 0.00 C ATOM 0 H VAL A 44 11.892 -0.466 -9.440 1.00 0.00 H new ATOM 0 HA VAL A 44 12.474 -2.930 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 44 11.194 -2.289 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.916 -0.880 -4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.633 -2.165 -5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.574 -0.493 -6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.719 0.084 -5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.286 0.508 -7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.836 -0.503 -6.992 1.00 0.00 H new ATOM 683 N LYS A 45 10.256 -3.677 -8.863 1.00 0.00 N ATOM 684 CA LYS A 45 8.983 -4.148 -9.395 1.00 0.00 C ATOM 685 C LYS A 45 7.884 -4.051 -8.343 1.00 0.00 C ATOM 686 O LYS A 45 7.851 -4.831 -7.391 1.00 0.00 O ATOM 687 CB LYS A 45 9.113 -5.594 -9.880 1.00 0.00 C ATOM 688 CG LYS A 45 7.925 -6.072 -10.695 1.00 0.00 C ATOM 689 CD LYS A 45 8.263 -7.317 -11.497 1.00 0.00 C ATOM 690 CE LYS A 45 7.300 -7.511 -12.659 1.00 0.00 C ATOM 691 NZ LYS A 45 6.117 -8.327 -12.268 1.00 0.00 N ATOM 0 H LYS A 45 10.946 -4.412 -8.709 1.00 0.00 H new ATOM 0 HA LYS A 45 8.712 -3.511 -10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.017 -5.686 -10.482 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.237 -6.248 -9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.088 -6.283 -10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.604 -5.279 -11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.282 -7.241 -11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.230 -8.191 -10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.967 -6.538 -13.021 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.820 -7.997 -13.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.485 -8.437 -13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.433 -9.264 -11.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.606 -7.851 -11.497 1.00 0.00 H new ATOM 705 N VAL A 46 6.984 -3.088 -8.520 1.00 0.00 N ATOM 706 CA VAL A 46 5.882 -2.891 -7.587 1.00 0.00 C ATOM 707 C VAL A 46 4.637 -3.645 -8.039 1.00 0.00 C ATOM 708 O VAL A 46 4.037 -3.318 -9.063 1.00 0.00 O ATOM 709 CB VAL A 46 5.537 -1.397 -7.434 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.614 -0.679 -6.636 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.352 -0.751 -8.799 1.00 0.00 C ATOM 0 H VAL A 46 6.997 -2.432 -9.301 1.00 0.00 H new ATOM 0 HA VAL A 46 6.209 -3.282 -6.624 1.00 0.00 H new ATOM 0 HB VAL A 46 4.598 -1.313 -6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.353 0.375 -6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.692 -1.127 -5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.570 -0.770 -7.151 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.109 0.304 -8.672 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.273 -0.845 -9.374 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.541 -1.249 -9.330 1.00 0.00 H new ATOM 721 N HIS A 47 4.253 -4.658 -7.268 1.00 0.00 N ATOM 722 CA HIS A 47 3.077 -5.460 -7.589 1.00 0.00 C ATOM 723 C HIS A 47 1.877 -5.021 -6.757 1.00 0.00 C ATOM 724 O HIS A 47 1.950 -4.953 -5.529 1.00 0.00 O ATOM 725 CB HIS A 47 3.364 -6.942 -7.349 1.00 0.00 C ATOM 726 CG HIS A 47 2.128 -7.772 -7.184 1.00 0.00 C ATOM 727 ND1 HIS A 47 1.748 -8.743 -8.086 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.186 -7.774 -6.212 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.624 -9.304 -7.677 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.262 -8.734 -6.542 1.00 0.00 N ATOM 0 H HIS A 47 4.739 -4.943 -6.417 1.00 0.00 H new ATOM 0 HA HIS A 47 2.841 -5.309 -8.642 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.944 -7.331 -8.185 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.982 -7.044 -6.457 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.255 -8.990 -8.936 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.165 -7.138 -5.339 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.092 -10.095 -8.185 1.00 0.00 H new ATOM 739 N PHE A 48 0.772 -4.722 -7.432 1.00 0.00 N ATOM 740 CA PHE A 48 -0.444 -4.287 -6.755 1.00 0.00 C ATOM 741 C PHE A 48 -1.233 -5.484 -6.232 1.00 0.00 C ATOM 742 O PHE A 48 -1.916 -6.171 -6.993 1.00 0.00 O ATOM 743 CB PHE A 48 -1.316 -3.463 -7.706 1.00 0.00 C ATOM 744 CG PHE A 48 -0.848 -2.046 -7.871 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.500 -1.760 -8.019 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.755 -0.999 -7.879 1.00 0.00 C ATOM 747 CE1 PHE A 48 0.934 -0.457 -8.172 1.00 0.00 C ATOM 748 CE2 PHE A 48 -1.327 0.306 -8.032 1.00 0.00 C ATOM 749 CZ PHE A 48 0.019 0.578 -8.178 1.00 0.00 C ATOM 0 H PHE A 48 0.694 -4.773 -8.448 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.156 -3.666 -5.907 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.333 -3.948 -8.682 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.341 -3.458 -7.334 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.220 -2.565 -8.015 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.809 -1.205 -7.764 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.987 -0.248 -8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.045 1.113 -8.037 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.356 1.597 -8.297 1.00 0.00 H new ATOM 759 N ASP A 49 -1.134 -5.727 -4.930 1.00 0.00 N ATOM 760 CA ASP A 49 -1.837 -6.841 -4.304 1.00 0.00 C ATOM 761 C ASP A 49 -3.220 -7.025 -4.921 1.00 0.00 C ATOM 762 O ASP A 49 -3.981 -6.068 -5.062 1.00 0.00 O ATOM 763 CB ASP A 49 -1.964 -6.610 -2.798 1.00 0.00 C ATOM 764 CG ASP A 49 -2.537 -7.812 -2.074 1.00 0.00 C ATOM 765 OD1 ASP A 49 -1.855 -8.858 -2.030 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.665 -7.707 -1.550 1.00 0.00 O ATOM 0 H ASP A 49 -0.574 -5.167 -4.287 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.257 -7.748 -4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.983 -6.375 -2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.601 -5.744 -2.619 1.00 0.00 H new ATOM 771 N GLY A 50 -3.539 -8.262 -5.290 1.00 0.00 N ATOM 772 CA GLY A 50 -4.829 -8.549 -5.888 1.00 0.00 C ATOM 773 C GLY A 50 -4.832 -8.335 -7.389 1.00 0.00 C ATOM 774 O GLY A 50 -5.336 -9.170 -8.141 1.00 0.00 O ATOM 0 H GLY A 50 -2.926 -9.071 -5.185 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.106 -9.581 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.587 -7.913 -5.432 1.00 0.00 H new ATOM 778 N TRP A 51 -4.270 -7.214 -7.826 1.00 0.00 N ATOM 779 CA TRP A 51 -4.212 -6.892 -9.247 1.00 0.00 C ATOM 780 C TRP A 51 -3.366 -7.911 -10.002 1.00 0.00 C ATOM 781 O TRP A 51 -2.262 -8.250 -9.579 1.00 0.00 O ATOM 782 CB TRP A 51 -3.642 -5.487 -9.450 1.00 0.00 C ATOM 783 CG TRP A 51 -4.526 -4.404 -8.911 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.633 -4.004 -7.610 1.00 0.00 C ATOM 785 CD2 TRP A 51 -5.429 -3.583 -9.660 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.548 -2.984 -7.505 1.00 0.00 N ATOM 787 CE2 TRP A 51 -6.050 -2.707 -8.748 1.00 0.00 C ATOM 788 CE3 TRP A 51 -5.772 -3.501 -11.013 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -6.993 -1.764 -9.147 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -6.709 -2.565 -11.407 1.00 0.00 C ATOM 791 CH2 TRP A 51 -7.311 -1.706 -10.477 1.00 0.00 C ATOM 0 H TRP A 51 -3.848 -6.513 -7.217 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.227 -6.925 -9.643 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.667 -5.425 -8.966 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.481 -5.318 -10.515 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.080 -4.427 -6.785 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -5.811 -2.510 -6.641 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.313 -4.158 -11.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.458 -1.101 -8.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -6.982 -2.494 -12.449 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -8.040 -0.985 -10.816 1.00 0.00 H new ATOM 841 N TYR A 55 -0.508 -6.451 -14.431 1.00 0.00 N ATOM 842 CA TYR A 55 -0.612 -5.026 -14.139 1.00 0.00 C ATOM 843 C TYR A 55 0.718 -4.476 -13.632 1.00 0.00 C ATOM 844 O TYR A 55 1.090 -3.343 -13.938 1.00 0.00 O ATOM 845 CB TYR A 55 -1.709 -4.776 -13.103 1.00 0.00 C ATOM 846 CG TYR A 55 -3.087 -4.618 -13.706 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.447 -3.451 -14.368 1.00 0.00 C ATOM 848 CD2 TYR A 55 -4.028 -5.636 -13.613 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.705 -3.302 -14.920 1.00 0.00 C ATOM 850 CE2 TYR A 55 -5.287 -5.496 -14.163 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.621 -4.328 -14.815 1.00 0.00 C ATOM 852 OH TYR A 55 -6.875 -4.184 -15.363 1.00 0.00 O ATOM 0 HA TYR A 55 -0.870 -4.509 -15.063 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.724 -5.605 -12.395 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.464 -3.877 -12.537 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.731 -2.646 -14.453 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.771 -6.552 -13.102 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.969 -2.388 -15.431 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.006 -6.298 -14.083 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.398 -4.997 -15.202 1.00 0.00 H new ATOM 862 N ASP A 56 1.428 -5.286 -12.855 1.00 0.00 N ATOM 863 CA ASP A 56 2.717 -4.883 -12.306 1.00 0.00 C ATOM 864 C ASP A 56 3.570 -4.197 -13.369 1.00 0.00 C ATOM 865 O ASP A 56 3.320 -4.339 -14.566 1.00 0.00 O ATOM 866 CB ASP A 56 3.459 -6.096 -11.744 1.00 0.00 C ATOM 867 CG ASP A 56 2.577 -6.954 -10.858 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.458 -6.511 -10.527 1.00 0.00 O ATOM 869 OD2 ASP A 56 3.006 -8.070 -10.497 1.00 0.00 O ATOM 0 H ASP A 56 1.133 -6.226 -12.591 1.00 0.00 H new ATOM 0 HA ASP A 56 2.534 -4.174 -11.499 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.839 -6.700 -12.568 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.323 -5.757 -11.173 1.00 0.00 H new ATOM 874 N TYR A 57 4.577 -3.454 -12.923 1.00 0.00 N ATOM 875 CA TYR A 57 5.464 -2.743 -13.836 1.00 0.00 C ATOM 876 C TYR A 57 6.740 -2.303 -13.123 1.00 0.00 C ATOM 877 O TYR A 57 6.729 -2.027 -11.923 1.00 0.00 O ATOM 878 CB TYR A 57 4.753 -1.526 -14.429 1.00 0.00 C ATOM 879 CG TYR A 57 4.009 -0.700 -13.404 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.694 0.001 -12.418 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.622 -0.619 -13.422 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.018 0.756 -11.479 1.00 0.00 C ATOM 883 CE2 TYR A 57 1.939 0.135 -12.487 1.00 0.00 C ATOM 884 CZ TYR A 57 2.641 0.820 -11.518 1.00 0.00 C ATOM 885 OH TYR A 57 1.965 1.573 -10.585 1.00 0.00 O ATOM 0 H TYR A 57 4.799 -3.329 -11.935 1.00 0.00 H new ATOM 0 HA TYR A 57 5.735 -3.425 -14.642 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.488 -0.894 -14.928 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.051 -1.862 -15.192 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.773 -0.045 -12.386 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.069 -1.154 -14.179 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.565 1.293 -10.718 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.861 0.188 -12.515 1.00 0.00 H new ATOM 0 HH TYR A 57 1.568 0.981 -9.912 1.00 0.00 H new ATOM 895 N TRP A 58 7.835 -2.239 -13.871 1.00 0.00 N ATOM 896 CA TRP A 58 9.119 -1.832 -13.312 1.00 0.00 C ATOM 897 C TRP A 58 9.174 -0.320 -13.118 1.00 0.00 C ATOM 898 O TRP A 58 9.290 0.435 -14.083 1.00 0.00 O ATOM 899 CB TRP A 58 10.262 -2.283 -14.223 1.00 0.00 C ATOM 900 CG TRP A 58 10.761 -3.661 -13.912 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.539 -4.797 -14.637 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.565 -4.049 -12.792 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.156 -5.867 -14.036 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.793 -5.434 -12.903 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.116 -3.360 -11.708 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.547 -6.141 -11.970 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.864 -4.063 -10.783 1.00 0.00 C ATOM 908 CH2 TRP A 58 13.075 -5.442 -10.919 1.00 0.00 C ATOM 0 H TRP A 58 7.860 -2.464 -14.866 1.00 0.00 H new ATOM 0 HA TRP A 58 9.230 -2.309 -12.338 1.00 0.00 H new ATOM 0 HB2 TRP A 58 9.925 -2.252 -15.259 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.088 -1.577 -14.135 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.963 -4.847 -15.549 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.142 -6.828 -14.378 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.960 -2.297 -11.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.709 -7.204 -12.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.293 -3.541 -9.941 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.666 -5.963 -10.180 1.00 0.00 H new ATOM 919 N ILE A 59 9.089 0.115 -11.865 1.00 0.00 N ATOM 920 CA ILE A 59 9.130 1.536 -11.546 1.00 0.00 C ATOM 921 C ILE A 59 10.440 1.908 -10.860 1.00 0.00 C ATOM 922 O ILE A 59 10.988 1.128 -10.080 1.00 0.00 O ATOM 923 CB ILE A 59 7.954 1.944 -10.638 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.781 3.464 -10.643 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.178 1.436 -9.222 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.471 3.925 -10.044 1.00 0.00 C ATOM 0 H ILE A 59 8.991 -0.497 -11.055 1.00 0.00 H new ATOM 0 HA ILE A 59 9.052 2.074 -12.491 1.00 0.00 H new ATOM 0 HB ILE A 59 7.041 1.492 -11.025 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.604 3.917 -10.090 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.849 3.826 -11.669 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.339 1.732 -8.592 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.257 0.349 -9.234 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.099 1.863 -8.824 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.417 5.013 -10.081 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.642 3.501 -10.611 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.408 3.594 -9.008 1.00 0.00 H new ATOM 938 N ASP A 60 10.937 3.105 -11.154 1.00 0.00 N ATOM 939 CA ASP A 60 12.181 3.582 -10.563 1.00 0.00 C ATOM 940 C ASP A 60 12.008 3.848 -9.071 1.00 0.00 C ATOM 941 O ASP A 60 11.097 4.566 -8.660 1.00 0.00 O ATOM 942 CB ASP A 60 12.651 4.855 -11.269 1.00 0.00 C ATOM 943 CG ASP A 60 13.079 4.598 -12.701 1.00 0.00 C ATOM 944 OD1 ASP A 60 12.626 3.592 -13.284 1.00 0.00 O ATOM 945 OD2 ASP A 60 13.868 5.404 -13.238 1.00 0.00 O ATOM 0 H ASP A 60 10.497 3.762 -11.798 1.00 0.00 H new ATOM 0 HA ASP A 60 12.935 2.805 -10.690 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.847 5.590 -11.260 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.485 5.287 -10.716 1.00 0.00 H new ATOM 950 N ALA A 61 12.887 3.262 -8.265 1.00 0.00 N ATOM 951 CA ALA A 61 12.832 3.437 -6.818 1.00 0.00 C ATOM 952 C ALA A 61 13.032 4.899 -6.434 1.00 0.00 C ATOM 953 O ALA A 61 12.655 5.320 -5.340 1.00 0.00 O ATOM 954 CB ALA A 61 13.878 2.563 -6.141 1.00 0.00 C ATOM 0 H ALA A 61 13.646 2.662 -8.589 1.00 0.00 H new ATOM 0 HA ALA A 61 11.843 3.131 -6.477 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.826 2.703 -5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.688 1.517 -6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.870 2.842 -6.496 1.00 0.00 H new ATOM 960 N ASP A 62 13.628 5.668 -7.338 1.00 0.00 N ATOM 961 CA ASP A 62 13.877 7.083 -7.094 1.00 0.00 C ATOM 962 C ASP A 62 12.745 7.939 -7.651 1.00 0.00 C ATOM 963 O ASP A 62 12.719 9.155 -7.459 1.00 0.00 O ATOM 964 CB ASP A 62 15.208 7.504 -7.721 1.00 0.00 C ATOM 965 CG ASP A 62 16.362 6.630 -7.271 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.410 5.452 -7.683 1.00 0.00 O ATOM 967 OD2 ASP A 62 17.217 7.124 -6.507 1.00 0.00 O ATOM 0 H ASP A 62 13.948 5.335 -8.247 1.00 0.00 H new ATOM 0 HA ASP A 62 13.927 7.237 -6.016 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.125 7.460 -8.807 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.418 8.541 -7.459 1.00 0.00 H new ATOM 972 N SER A 63 11.810 7.297 -8.344 1.00 0.00 N ATOM 973 CA SER A 63 10.677 8.000 -8.934 1.00 0.00 C ATOM 974 C SER A 63 9.902 8.771 -7.870 1.00 0.00 C ATOM 975 O SER A 63 9.678 8.291 -6.759 1.00 0.00 O ATOM 976 CB SER A 63 9.748 7.011 -9.641 1.00 0.00 C ATOM 977 OG SER A 63 8.875 7.680 -10.534 1.00 0.00 O ATOM 0 H SER A 63 11.815 6.291 -8.511 1.00 0.00 H new ATOM 0 HA SER A 63 11.063 8.711 -9.664 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.341 6.278 -10.188 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.166 6.462 -8.901 1.00 0.00 H new ATOM 0 HG SER A 63 8.089 8.000 -10.044 1.00 0.00 H new ATOM 983 N PRO A 64 9.483 9.997 -8.217 1.00 0.00 N ATOM 984 CA PRO A 64 8.726 10.862 -7.306 1.00 0.00 C ATOM 985 C PRO A 64 7.314 10.343 -7.054 1.00 0.00 C ATOM 986 O PRO A 64 6.705 10.648 -6.028 1.00 0.00 O ATOM 987 CB PRO A 64 8.680 12.201 -8.046 1.00 0.00 C ATOM 988 CG PRO A 64 8.824 11.844 -9.485 1.00 0.00 C ATOM 989 CD PRO A 64 9.714 10.633 -9.524 1.00 0.00 C ATOM 0 HA PRO A 64 9.187 10.920 -6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.742 12.724 -7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.483 12.861 -7.720 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.854 11.630 -9.933 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.261 12.668 -10.050 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.451 9.968 -10.346 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.760 10.908 -9.658 1.00 0.00 H new ATOM 997 N ASP A 65 6.800 9.559 -7.995 1.00 0.00 N ATOM 998 CA ASP A 65 5.460 8.997 -7.873 1.00 0.00 C ATOM 999 C ASP A 65 5.402 7.970 -6.746 1.00 0.00 C ATOM 1000 O ASP A 65 4.367 7.801 -6.101 1.00 0.00 O ATOM 1001 CB ASP A 65 5.033 8.350 -9.192 1.00 0.00 C ATOM 1002 CG ASP A 65 5.499 9.138 -10.400 1.00 0.00 C ATOM 1003 OD1 ASP A 65 6.724 9.191 -10.637 1.00 0.00 O ATOM 1004 OD2 ASP A 65 4.640 9.703 -11.109 1.00 0.00 O ATOM 0 H ASP A 65 7.291 9.298 -8.850 1.00 0.00 H new ATOM 0 HA ASP A 65 4.772 9.809 -7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.435 7.338 -9.244 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.947 8.263 -9.216 1.00 0.00 H new ATOM 1009 N ILE A 66 6.518 7.288 -6.517 1.00 0.00 N ATOM 1010 CA ILE A 66 6.593 6.278 -5.468 1.00 0.00 C ATOM 1011 C ILE A 66 6.464 6.909 -4.086 1.00 0.00 C ATOM 1012 O ILE A 66 7.186 7.849 -3.751 1.00 0.00 O ATOM 1013 CB ILE A 66 7.915 5.490 -5.539 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.936 4.597 -6.780 1.00 0.00 C ATOM 1015 CG2 ILE A 66 8.105 4.660 -4.278 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.226 3.824 -6.947 1.00 0.00 C ATOM 0 H ILE A 66 7.383 7.416 -7.043 1.00 0.00 H new ATOM 0 HA ILE A 66 5.761 5.592 -5.630 1.00 0.00 H new ATOM 0 HB ILE A 66 8.740 6.199 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.105 3.894 -6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.774 5.214 -7.664 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.043 4.109 -4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.130 5.318 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.278 3.957 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.170 3.212 -7.847 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.059 4.521 -7.033 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.380 3.181 -6.080 1.00 0.00 H new ATOM 1028 N HIS A 67 5.540 6.386 -3.287 1.00 0.00 N ATOM 1029 CA HIS A 67 5.317 6.897 -1.939 1.00 0.00 C ATOM 1030 C HIS A 67 5.332 5.763 -0.918 1.00 0.00 C ATOM 1031 O HIS A 67 4.811 4.673 -1.158 1.00 0.00 O ATOM 1032 CB HIS A 67 3.986 7.645 -1.868 1.00 0.00 C ATOM 1033 CG HIS A 67 3.899 8.805 -2.812 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.768 9.874 -2.773 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.040 9.057 -3.828 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.447 10.736 -3.721 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.401 10.263 -4.376 1.00 0.00 N ATOM 0 H HIS A 67 4.934 5.609 -3.549 1.00 0.00 H new ATOM 0 HA HIS A 67 6.126 7.587 -1.701 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.176 6.949 -2.085 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.834 8.004 -0.850 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.223 8.427 -4.148 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.953 11.668 -3.926 1.00 0.00 H new ATOM 0 HE2 HIS A 67 2.937 10.720 -5.161 1.00 0.00 H new ATOM 1046 N PRO A 68 5.942 6.023 0.247 1.00 0.00 N ATOM 1047 CA PRO A 68 6.040 5.036 1.327 1.00 0.00 C ATOM 1048 C PRO A 68 4.691 4.759 1.983 1.00 0.00 C ATOM 1049 O PRO A 68 3.777 5.581 1.916 1.00 0.00 O ATOM 1050 CB PRO A 68 6.994 5.696 2.325 1.00 0.00 C ATOM 1051 CG PRO A 68 6.855 7.157 2.073 1.00 0.00 C ATOM 1052 CD PRO A 68 6.584 7.300 0.601 1.00 0.00 C ATOM 0 HA PRO A 68 6.384 4.067 0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.729 5.444 3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.021 5.364 2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.041 7.579 2.662 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.763 7.690 2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.932 8.149 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.503 7.458 0.037 1.00 0.00 H new ATOM 1060 N VAL A 69 4.573 3.597 2.616 1.00 0.00 N ATOM 1061 CA VAL A 69 3.337 3.212 3.286 1.00 0.00 C ATOM 1062 C VAL A 69 2.951 4.229 4.354 1.00 0.00 C ATOM 1063 O VAL A 69 3.524 4.249 5.443 1.00 0.00 O ATOM 1064 CB VAL A 69 3.459 1.822 3.936 1.00 0.00 C ATOM 1065 CG1 VAL A 69 2.196 1.482 4.713 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.746 0.764 2.881 1.00 0.00 C ATOM 0 H VAL A 69 5.319 2.905 2.679 1.00 0.00 H new ATOM 0 HA VAL A 69 2.560 3.179 2.522 1.00 0.00 H new ATOM 0 HB VAL A 69 4.294 1.840 4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.301 0.496 5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.039 2.225 5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.342 1.481 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.829 -0.212 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.934 0.745 2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.681 1.001 2.373 1.00 0.00 H new ATOM 1076 N GLY A 70 1.974 5.073 4.036 1.00 0.00 N ATOM 1077 CA GLY A 70 1.528 6.081 4.979 1.00 0.00 C ATOM 1078 C GLY A 70 1.632 7.486 4.419 1.00 0.00 C ATOM 1079 O GLY A 70 1.521 8.465 5.157 1.00 0.00 O ATOM 0 H GLY A 70 1.484 5.076 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.494 5.880 5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.123 6.011 5.889 1.00 0.00 H new ATOM 1083 N TRP A 71 1.848 7.585 3.113 1.00 0.00 N ATOM 1084 CA TRP A 71 1.968 8.881 2.455 1.00 0.00 C ATOM 1085 C TRP A 71 0.604 9.545 2.305 1.00 0.00 C ATOM 1086 O TRP A 71 0.509 10.766 2.174 1.00 0.00 O ATOM 1087 CB TRP A 71 2.624 8.720 1.082 1.00 0.00 C ATOM 1088 CG TRP A 71 2.321 9.849 0.143 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.179 10.831 -0.261 1.00 0.00 C ATOM 1090 CD2 TRP A 71 1.073 10.110 -0.508 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.539 11.689 -1.123 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.247 11.268 -1.292 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.173 9.479 -0.506 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.220 11.805 -2.063 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.192 10.013 -1.272 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.990 11.166 -2.043 1.00 0.00 C ATOM 0 H TRP A 71 1.944 6.784 2.489 1.00 0.00 H new ATOM 0 HA TRP A 71 2.595 9.519 3.078 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.704 8.643 1.210 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.289 7.784 0.634 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.209 10.920 0.051 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.958 12.507 -1.565 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.337 8.589 0.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.373 12.695 -2.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.160 9.534 -1.277 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.805 11.558 -2.633 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.449 8.735 2.325 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.809 9.245 2.191 1.00 0.00 C ATOM 1109 C CYS A 72 -2.142 10.208 3.325 1.00 0.00 C ATOM 1110 O CYS A 72 -2.916 11.149 3.147 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.810 8.089 2.176 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.853 7.130 3.708 1.00 0.00 S ATOM 0 H CYS A 72 -0.387 7.723 2.433 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.877 9.786 1.247 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.806 8.487 1.981 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.566 7.422 1.349 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.730 6.177 3.599 1.00 0.00 H new ATOM 1118 N SER A 73 -1.555 9.966 4.493 1.00 0.00 N ATOM 1119 CA SER A 73 -1.794 10.808 5.659 1.00 0.00 C ATOM 1120 C SER A 73 -0.895 12.041 5.632 1.00 0.00 C ATOM 1121 O SER A 73 -1.371 13.169 5.500 1.00 0.00 O ATOM 1122 CB SER A 73 -1.554 10.016 6.945 1.00 0.00 C ATOM 1123 OG SER A 73 -2.497 8.966 7.080 1.00 0.00 O ATOM 0 H SER A 73 -0.910 9.193 4.657 1.00 0.00 H new ATOM 0 HA SER A 73 -2.833 11.136 5.632 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.545 9.604 6.939 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.622 10.683 7.805 1.00 0.00 H new ATOM 0 HG SER A 73 -2.322 8.473 7.909 1.00 0.00 H new ATOM 1129 N LYS A 74 0.409 11.817 5.759 1.00 0.00 N ATOM 1130 CA LYS A 74 1.377 12.907 5.748 1.00 0.00 C ATOM 1131 C LYS A 74 0.923 14.029 4.820 1.00 0.00 C ATOM 1132 O LYS A 74 1.170 15.206 5.085 1.00 0.00 O ATOM 1133 CB LYS A 74 2.750 12.392 5.310 1.00 0.00 C ATOM 1134 CG LYS A 74 2.900 12.267 3.804 1.00 0.00 C ATOM 1135 CD LYS A 74 4.070 11.371 3.432 1.00 0.00 C ATOM 1136 CE LYS A 74 5.397 12.103 3.568 1.00 0.00 C ATOM 1137 NZ LYS A 74 5.731 12.876 2.340 1.00 0.00 N ATOM 0 H LYS A 74 0.819 10.890 5.871 1.00 0.00 H new ATOM 0 HA LYS A 74 1.451 13.305 6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.519 13.065 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.926 11.418 5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.982 11.863 3.378 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.045 13.256 3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.072 10.489 4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.950 11.020 2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.353 12.779 4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.190 11.383 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.642 13.360 2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.798 12.228 1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.987 13.580 2.160 1.00 0.00 H new ATOM 1151 N THR A 75 0.256 13.658 3.732 1.00 0.00 N ATOM 1152 CA THR A 75 -0.233 14.633 2.765 1.00 0.00 C ATOM 1153 C THR A 75 -1.716 14.916 2.972 1.00 0.00 C ATOM 1154 O THR A 75 -2.142 16.070 2.992 1.00 0.00 O ATOM 1155 CB THR A 75 -0.010 14.151 1.319 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.825 13.005 1.054 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.453 13.805 1.084 1.00 0.00 C ATOM 0 H THR A 75 0.042 12.689 3.498 1.00 0.00 H new ATOM 0 HA THR A 75 0.335 15.550 2.926 1.00 0.00 H new ATOM 0 HB THR A 75 -0.289 14.959 0.643 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.397 12.206 1.426 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.586 13.467 0.056 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.068 14.688 1.259 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.754 13.012 1.769 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.501 13.853 3.125 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.929 14.009 3.329 1.00 0.00 C ATOM 1167 C GLY A 76 -4.739 13.555 2.130 1.00 0.00 C ATOM 1168 O GLY A 76 -5.909 13.913 1.990 1.00 0.00 O ATOM 0 H GLY A 76 -2.173 12.887 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.232 13.437 4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.151 15.055 3.538 1.00 0.00 H new ATOM 1172 N HIS A 77 -4.115 12.765 1.261 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.785 12.263 0.067 1.00 0.00 C ATOM 1174 C HIS A 77 -5.476 10.933 0.351 1.00 0.00 C ATOM 1175 O HIS A 77 -4.997 10.111 1.133 1.00 0.00 O ATOM 1176 CB HIS A 77 -3.781 12.097 -1.075 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.591 13.338 -1.890 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -3.380 14.581 -1.331 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -3.578 13.523 -3.231 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -3.248 15.477 -2.293 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.364 14.861 -3.455 1.00 0.00 N ATOM 0 H HIS A 77 -3.147 12.459 1.362 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.542 12.990 -0.228 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.819 11.793 -0.661 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.116 11.291 -1.728 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.711 12.761 -3.984 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.075 16.534 -2.153 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.304 15.307 -4.371 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.629 10.714 -0.298 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.410 9.484 -0.131 1.00 0.00 C ATOM 1192 C PRO A 78 -6.720 8.271 -0.746 1.00 0.00 C ATOM 1193 O PRO A 78 -6.183 8.344 -1.852 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.714 9.790 -0.872 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.345 10.824 -1.878 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.259 11.649 -1.245 1.00 0.00 C ATOM 0 HA PRO A 78 -7.550 9.229 0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.116 8.897 -1.351 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.480 10.158 -0.189 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.996 10.363 -2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.205 11.442 -2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.546 12.012 -1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.664 12.524 -0.737 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.738 7.157 -0.023 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.115 5.927 -0.497 1.00 0.00 C ATOM 1206 C LEU A 79 -7.170 4.888 -0.865 1.00 0.00 C ATOM 1207 O LEU A 79 -8.151 4.706 -0.146 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.177 5.362 0.571 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.258 4.225 0.124 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.119 4.763 -0.728 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.714 3.473 1.331 1.00 0.00 C ATOM 0 H LEU A 79 -7.178 7.080 0.894 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.537 6.163 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.558 6.175 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.781 5.007 1.406 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.840 3.530 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.475 3.939 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.526 5.256 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.538 5.480 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.062 2.667 0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.148 4.158 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.542 3.054 1.903 1.00 0.00 H new ATOM 1223 N GLN A 80 -6.958 4.210 -1.989 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.891 3.189 -2.451 1.00 0.00 C ATOM 1225 C GLN A 80 -7.380 1.792 -2.113 1.00 0.00 C ATOM 1226 O GLN A 80 -6.206 1.472 -2.300 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.110 3.313 -3.959 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.749 4.629 -4.375 1.00 0.00 C ATOM 1229 CD GLN A 80 -10.207 4.723 -3.971 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -10.814 3.733 -3.560 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.778 5.916 -4.087 1.00 0.00 N ATOM 0 H GLN A 80 -6.150 4.349 -2.595 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.841 3.343 -1.939 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.151 3.208 -4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.741 2.490 -4.295 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.197 5.455 -3.925 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.667 4.742 -5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.237 6.709 -4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.758 6.040 -3.831 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.280 0.939 -1.602 1.00 0.00 N ATOM 1241 CA PRO A 81 -7.943 -0.437 -1.227 1.00 0.00 C ATOM 1242 C PRO A 81 -7.656 -1.315 -2.441 1.00 0.00 C ATOM 1243 O PRO A 81 -8.130 -1.059 -3.548 1.00 0.00 O ATOM 1244 CB PRO A 81 -9.199 -0.925 -0.500 1.00 0.00 C ATOM 1245 CG PRO A 81 -10.304 -0.090 -1.051 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.697 1.253 -1.351 1.00 0.00 C ATOM 0 HA PRO A 81 -7.038 -0.484 -0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.375 -1.985 -0.682 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.107 -0.798 0.579 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.721 -0.540 -1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.119 0.002 -0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.164 1.721 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.814 1.943 -0.515 1.00 0.00 H new ATOM 1254 N PRO A 82 -6.861 -2.375 -2.231 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.494 -3.312 -3.296 1.00 0.00 C ATOM 1256 C PRO A 82 -7.674 -4.163 -3.752 1.00 0.00 C ATOM 1257 O PRO A 82 -8.819 -3.910 -3.374 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.423 -4.189 -2.643 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.713 -4.119 -1.184 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.261 -2.740 -0.937 1.00 0.00 C ATOM 0 HA PRO A 82 -6.153 -2.796 -4.193 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.475 -5.215 -3.008 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.421 -3.822 -2.865 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.433 -4.883 -0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.810 -4.291 -0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.001 -2.739 -0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.476 -2.042 -0.647 1.00 0.00 H new