USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=12 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 75 THR OG1 : rot 95:sc= 0.701 USER MOD Set 1.2: A 77 HIS : no HD1:sc= 0.37 K(o=1.1,f=0.22) USER MOD Set 2.1: A 72 CYS SG : rot 180:sc= -0.315 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 19 LYS NZ :NH3+ 140:sc= 1.3 (180deg=-0.0864) USER MOD Set 3.2: A 35 THR OG1 : rot 128:sc= 0.942 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 16 LYS NZ :NH3+ -123:sc= -0.0028 (180deg=-0.318) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 148:sc= -3.55! (180deg=-7.02!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.701 K(o=-0.7,f=-0.11) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 31:sc= 0.666 USER MOD Single : A 42 HIS : no HD1:sc= -2.67! K(o=-2.7!,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -1.16 X(o=-1.2,f=-0.67) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -107:sc= 1.37 USER MOD Single : A 63 SER OG : rot -125:sc= -0.886 USER MOD Single : A 67 HIS : no HD1:sc= -3.08! K(o=-3.1!,f=-2.3) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 15.064 0.849 -0.966 1.00 0.00 N ATOM 158 CA PHE A 14 13.840 0.058 -0.976 1.00 0.00 C ATOM 159 C PHE A 14 14.136 -1.407 -0.669 1.00 0.00 C ATOM 160 O PHE A 14 15.201 -1.920 -1.013 1.00 0.00 O ATOM 161 CB PHE A 14 13.142 0.175 -2.332 1.00 0.00 C ATOM 162 CG PHE A 14 12.483 1.506 -2.554 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.244 2.651 -2.730 1.00 0.00 C ATOM 164 CD2 PHE A 14 11.101 1.613 -2.586 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.640 3.877 -2.935 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.492 2.837 -2.791 1.00 0.00 C ATOM 167 CZ PHE A 14 11.263 3.970 -2.964 1.00 0.00 C ATOM 0 HA PHE A 14 13.180 0.448 -0.201 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.872 0.003 -3.123 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.392 -0.611 -2.414 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.322 2.584 -2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.494 0.730 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.245 4.761 -3.072 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.415 2.907 -2.816 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.789 4.928 -3.122 1.00 0.00 H new ATOM 177 N GLN A 15 13.187 -2.073 -0.019 1.00 0.00 N ATOM 178 CA GLN A 15 13.347 -3.478 0.336 1.00 0.00 C ATOM 179 C GLN A 15 12.299 -4.339 -0.361 1.00 0.00 C ATOM 180 O GLN A 15 11.334 -3.824 -0.927 1.00 0.00 O ATOM 181 CB GLN A 15 13.247 -3.658 1.852 1.00 0.00 C ATOM 182 CG GLN A 15 14.373 -2.987 2.620 1.00 0.00 C ATOM 183 CD GLN A 15 14.379 -3.357 4.090 1.00 0.00 C ATOM 184 OE1 GLN A 15 14.024 -4.476 4.461 1.00 0.00 O ATOM 185 NE2 GLN A 15 14.783 -2.417 4.936 1.00 0.00 N ATOM 0 H GLN A 15 12.300 -1.662 0.272 1.00 0.00 H new ATOM 0 HA GLN A 15 14.334 -3.800 0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.294 -3.255 2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.245 -4.723 2.084 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.328 -3.267 2.175 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.280 -1.905 2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 15 15.069 -1.503 4.584 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.808 -2.609 5.938 1.00 0.00 H new ATOM 194 N LYS A 16 12.493 -5.652 -0.317 1.00 0.00 N ATOM 195 CA LYS A 16 11.564 -6.586 -0.943 1.00 0.00 C ATOM 196 C LYS A 16 10.582 -7.145 0.082 1.00 0.00 C ATOM 197 O LYS A 16 10.890 -7.231 1.271 1.00 0.00 O ATOM 198 CB LYS A 16 12.331 -7.731 -1.608 1.00 0.00 C ATOM 199 CG LYS A 16 12.769 -7.424 -3.030 1.00 0.00 C ATOM 200 CD LYS A 16 14.021 -8.198 -3.407 1.00 0.00 C ATOM 201 CE LYS A 16 13.708 -9.657 -3.699 1.00 0.00 C ATOM 202 NZ LYS A 16 13.776 -10.496 -2.470 1.00 0.00 N ATOM 0 H LYS A 16 13.287 -6.095 0.146 1.00 0.00 H new ATOM 0 HA LYS A 16 11.000 -6.045 -1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.211 -7.965 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.704 -8.622 -1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.964 -7.673 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.957 -6.355 -3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.482 -7.742 -4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.746 -8.136 -2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.713 -9.734 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.412 -10.038 -4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.461 -11.266 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.077 -9.909 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.838 -10.900 -2.273 1.00 0.00 H new ATOM 216 N LYS A 17 9.399 -7.526 -0.387 1.00 0.00 N ATOM 217 CA LYS A 17 8.371 -8.080 0.487 1.00 0.00 C ATOM 218 C LYS A 17 7.812 -7.008 1.417 1.00 0.00 C ATOM 219 O LYS A 17 7.312 -7.312 2.500 1.00 0.00 O ATOM 220 CB LYS A 17 8.943 -9.237 1.310 1.00 0.00 C ATOM 221 CG LYS A 17 9.723 -10.245 0.484 1.00 0.00 C ATOM 222 CD LYS A 17 10.169 -11.429 1.324 1.00 0.00 C ATOM 223 CE LYS A 17 11.466 -11.132 2.061 1.00 0.00 C ATOM 224 NZ LYS A 17 11.839 -12.233 2.992 1.00 0.00 N ATOM 0 H LYS A 17 9.128 -7.461 -1.368 1.00 0.00 H new ATOM 0 HA LYS A 17 7.559 -8.453 -0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.595 -8.833 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.126 -9.750 1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.104 -10.596 -0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.595 -9.760 0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.390 -11.680 2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.304 -12.301 0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.268 -10.980 1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.361 -10.203 2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.728 -11.993 3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.086 -12.362 3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.964 -13.115 2.455 1.00 0.00 H new ATOM 238 N MET A 18 7.899 -5.754 0.987 1.00 0.00 N ATOM 239 CA MET A 18 7.398 -4.638 1.780 1.00 0.00 C ATOM 240 C MET A 18 6.180 -4.002 1.117 1.00 0.00 C ATOM 241 O MET A 18 5.740 -4.439 0.054 1.00 0.00 O ATOM 242 CB MET A 18 8.495 -3.588 1.972 1.00 0.00 C ATOM 243 CG MET A 18 8.725 -2.719 0.747 1.00 0.00 C ATOM 244 SD MET A 18 9.831 -1.333 1.075 1.00 0.00 S ATOM 245 CE MET A 18 9.772 -0.473 -0.495 1.00 0.00 C ATOM 0 H MET A 18 8.312 -5.485 0.094 1.00 0.00 H new ATOM 0 HA MET A 18 7.099 -5.023 2.755 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.232 -2.950 2.816 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.427 -4.091 2.231 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.142 -3.330 -0.054 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.767 -2.338 0.392 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.888 0.598 -0.328 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.579 -0.830 -1.136 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.814 -0.663 -0.978 1.00 0.00 H new ATOM 255 N LYS A 19 5.639 -2.968 1.753 1.00 0.00 N ATOM 256 CA LYS A 19 4.472 -2.271 1.225 1.00 0.00 C ATOM 257 C LYS A 19 4.795 -0.809 0.938 1.00 0.00 C ATOM 258 O LYS A 19 5.532 -0.166 1.688 1.00 0.00 O ATOM 259 CB LYS A 19 3.307 -2.363 2.213 1.00 0.00 C ATOM 260 CG LYS A 19 2.661 -3.736 2.267 1.00 0.00 C ATOM 261 CD LYS A 19 2.092 -4.138 0.917 1.00 0.00 C ATOM 262 CE LYS A 19 0.905 -5.077 1.069 1.00 0.00 C ATOM 263 NZ LYS A 19 0.435 -5.595 -0.246 1.00 0.00 N ATOM 0 H LYS A 19 5.990 -2.594 2.635 1.00 0.00 H new ATOM 0 HA LYS A 19 4.186 -2.752 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.665 -2.100 3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.552 -1.626 1.940 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.397 -4.473 2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.866 -3.736 3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.784 -3.246 0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.867 -4.623 0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.183 -5.913 1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.089 -4.553 1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.183 -6.600 -0.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.399 -5.056 -0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.193 -5.492 -0.951 1.00 0.00 H new ATOM 277 N LEU A 20 4.240 -0.287 -0.150 1.00 0.00 N ATOM 278 CA LEU A 20 4.468 1.102 -0.535 1.00 0.00 C ATOM 279 C LEU A 20 3.356 1.602 -1.451 1.00 0.00 C ATOM 280 O LEU A 20 2.879 0.872 -2.319 1.00 0.00 O ATOM 281 CB LEU A 20 5.822 1.242 -1.233 1.00 0.00 C ATOM 282 CG LEU A 20 5.810 1.095 -2.755 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.603 2.446 -3.421 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.103 0.453 -3.239 1.00 0.00 C ATOM 0 H LEU A 20 3.629 -0.804 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 20 4.468 1.710 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.237 2.219 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.500 0.494 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 20 4.979 0.446 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.597 2.321 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.651 2.868 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.412 3.119 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.077 0.356 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.949 1.077 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.210 -0.534 -2.789 1.00 0.00 H new ATOM 296 N GLU A 21 2.950 2.853 -1.253 1.00 0.00 N ATOM 297 CA GLU A 21 1.896 3.451 -2.063 1.00 0.00 C ATOM 298 C GLU A 21 2.449 3.950 -3.394 1.00 0.00 C ATOM 299 O GLU A 21 3.270 4.867 -3.433 1.00 0.00 O ATOM 300 CB GLU A 21 1.234 4.605 -1.307 1.00 0.00 C ATOM 301 CG GLU A 21 0.444 4.162 -0.088 1.00 0.00 C ATOM 302 CD GLU A 21 -0.295 5.307 0.577 1.00 0.00 C ATOM 303 OE1 GLU A 21 -0.288 6.423 0.017 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.881 5.086 1.658 1.00 0.00 O ATOM 0 H GLU A 21 3.335 3.471 -0.539 1.00 0.00 H new ATOM 0 HA GLU A 21 1.149 2.683 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.003 5.311 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.569 5.138 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.272 3.395 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.122 3.705 0.633 1.00 0.00 H new ATOM 311 N VAL A 22 1.994 3.341 -4.484 1.00 0.00 N ATOM 312 CA VAL A 22 2.442 3.723 -5.817 1.00 0.00 C ATOM 313 C VAL A 22 1.341 4.453 -6.579 1.00 0.00 C ATOM 314 O VAL A 22 0.168 4.087 -6.499 1.00 0.00 O ATOM 315 CB VAL A 22 2.887 2.495 -6.633 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.366 2.916 -8.014 1.00 0.00 C ATOM 317 CG2 VAL A 22 3.975 1.730 -5.894 1.00 0.00 C ATOM 0 H VAL A 22 1.315 2.580 -4.470 1.00 0.00 H new ATOM 0 HA VAL A 22 3.293 4.391 -5.685 1.00 0.00 H new ATOM 0 HB VAL A 22 2.029 1.834 -6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.676 2.035 -8.576 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.555 3.417 -8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.210 3.598 -7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.277 0.866 -6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.835 2.381 -5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.593 1.395 -4.930 1.00 0.00 H new ATOM 327 N VAL A 23 1.727 5.488 -7.319 1.00 0.00 N ATOM 328 CA VAL A 23 0.774 6.270 -8.097 1.00 0.00 C ATOM 329 C VAL A 23 0.461 5.591 -9.425 1.00 0.00 C ATOM 330 O VAL A 23 1.345 5.406 -10.263 1.00 0.00 O ATOM 331 CB VAL A 23 1.303 7.690 -8.370 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.353 8.447 -9.285 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.510 8.441 -7.064 1.00 0.00 C ATOM 0 H VAL A 23 2.694 5.804 -7.396 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.138 6.339 -7.504 1.00 0.00 H new ATOM 0 HB VAL A 23 2.267 7.610 -8.873 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.743 9.448 -9.467 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.260 7.916 -10.233 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.627 8.520 -8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.884 9.443 -7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.562 8.513 -6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.233 7.906 -6.448 1.00 0.00 H new ATOM 343 N ASP A 24 -0.801 5.221 -9.612 1.00 0.00 N ATOM 344 CA ASP A 24 -1.231 4.563 -10.841 1.00 0.00 C ATOM 345 C ASP A 24 -0.826 5.379 -12.064 1.00 0.00 C ATOM 346 O ASP A 24 -1.262 6.518 -12.237 1.00 0.00 O ATOM 347 CB ASP A 24 -2.747 4.356 -10.829 1.00 0.00 C ATOM 348 CG ASP A 24 -3.174 3.164 -11.663 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.869 3.147 -12.875 1.00 0.00 O ATOM 350 OD2 ASP A 24 -3.813 2.248 -11.105 1.00 0.00 O ATOM 0 H ASP A 24 -1.544 5.365 -8.929 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.740 3.592 -10.896 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.084 4.217 -9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.237 5.254 -11.206 1.00 0.00 H new ATOM 355 N LYS A 25 0.011 4.790 -12.911 1.00 0.00 N ATOM 356 CA LYS A 25 0.475 5.461 -14.120 1.00 0.00 C ATOM 357 C LYS A 25 -0.701 5.959 -14.952 1.00 0.00 C ATOM 358 O LYS A 25 -0.756 7.130 -15.328 1.00 0.00 O ATOM 359 CB LYS A 25 1.339 4.512 -14.955 1.00 0.00 C ATOM 360 CG LYS A 25 2.199 3.579 -14.120 1.00 0.00 C ATOM 361 CD LYS A 25 2.920 4.328 -13.012 1.00 0.00 C ATOM 362 CE LYS A 25 4.020 5.221 -13.566 1.00 0.00 C ATOM 363 NZ LYS A 25 4.394 6.299 -12.610 1.00 0.00 N ATOM 0 H LYS A 25 0.382 3.849 -12.783 1.00 0.00 H new ATOM 0 HA LYS A 25 1.075 6.321 -13.821 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.692 3.917 -15.599 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.984 5.101 -15.607 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.575 2.798 -13.686 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.929 3.084 -14.761 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.205 4.933 -12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.349 3.614 -12.309 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.898 4.617 -13.793 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.688 5.666 -14.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.146 6.885 -13.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.562 6.892 -12.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.735 5.874 -11.724 1.00 0.00 H new ATOM 377 N ARG A 26 -1.641 5.064 -15.236 1.00 0.00 N ATOM 378 CA ARG A 26 -2.817 5.414 -16.023 1.00 0.00 C ATOM 379 C ARG A 26 -3.621 6.516 -15.340 1.00 0.00 C ATOM 380 O ARG A 26 -4.185 7.387 -16.001 1.00 0.00 O ATOM 381 CB ARG A 26 -3.700 4.182 -16.237 1.00 0.00 C ATOM 382 CG ARG A 26 -2.921 2.878 -16.295 1.00 0.00 C ATOM 383 CD ARG A 26 -1.741 2.976 -17.249 1.00 0.00 C ATOM 384 NE ARG A 26 -2.149 2.823 -18.642 1.00 0.00 N ATOM 385 CZ ARG A 26 -2.549 1.671 -19.169 1.00 0.00 C ATOM 386 NH1 ARG A 26 -2.595 0.577 -18.421 1.00 0.00 N ATOM 387 NH2 ARG A 26 -2.905 1.611 -20.446 1.00 0.00 N ATOM 0 H ARG A 26 -1.611 4.091 -14.933 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.478 5.782 -16.991 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.430 4.124 -15.430 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.259 4.303 -17.165 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.564 2.622 -15.298 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.582 2.072 -16.614 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.249 3.940 -17.119 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.009 2.208 -16.999 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.126 3.646 -19.244 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.323 0.619 -17.439 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.902 -0.306 -18.828 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.872 2.450 -21.025 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.212 0.726 -20.849 1.00 0.00 H new ATOM 401 N ASN A 27 -3.669 6.470 -14.013 1.00 0.00 N ATOM 402 CA ASN A 27 -4.404 7.465 -13.240 1.00 0.00 C ATOM 403 C ASN A 27 -3.554 7.999 -12.091 1.00 0.00 C ATOM 404 O ASN A 27 -3.500 7.421 -11.005 1.00 0.00 O ATOM 405 CB ASN A 27 -5.699 6.860 -12.692 1.00 0.00 C ATOM 406 CG ASN A 27 -6.870 7.050 -13.637 1.00 0.00 C ATOM 407 OD1 ASN A 27 -7.610 6.108 -13.923 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.044 8.272 -14.125 1.00 0.00 N ATOM 0 H ASN A 27 -3.208 5.755 -13.450 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.649 8.295 -13.903 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.551 5.795 -12.510 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.933 7.318 -11.731 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.816 8.461 -14.765 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.406 9.022 -13.860 1.00 0.00 H new ATOM 415 N PRO A 28 -2.873 9.128 -12.334 1.00 0.00 N ATOM 416 CA PRO A 28 -2.014 9.766 -11.333 1.00 0.00 C ATOM 417 C PRO A 28 -2.814 10.379 -10.188 1.00 0.00 C ATOM 418 O PRO A 28 -2.245 10.872 -9.215 1.00 0.00 O ATOM 419 CB PRO A 28 -1.294 10.859 -12.127 1.00 0.00 C ATOM 420 CG PRO A 28 -2.208 11.166 -13.263 1.00 0.00 C ATOM 421 CD PRO A 28 -2.891 9.871 -13.606 1.00 0.00 C ATOM 0 HA PRO A 28 -1.341 9.051 -10.859 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.115 11.742 -11.513 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.322 10.516 -12.482 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.935 11.929 -12.984 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.653 11.553 -14.117 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.908 10.035 -13.961 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.362 9.334 -14.393 1.00 0.00 H new ATOM 429 N MET A 29 -4.137 10.344 -10.312 1.00 0.00 N ATOM 430 CA MET A 29 -5.015 10.894 -9.286 1.00 0.00 C ATOM 431 C MET A 29 -5.504 9.799 -8.343 1.00 0.00 C ATOM 432 O MET A 29 -6.384 10.028 -7.513 1.00 0.00 O ATOM 433 CB MET A 29 -6.210 11.599 -9.931 1.00 0.00 C ATOM 434 CG MET A 29 -5.824 12.811 -10.763 1.00 0.00 C ATOM 435 SD MET A 29 -5.439 12.387 -12.472 1.00 0.00 S ATOM 436 CE MET A 29 -7.082 12.313 -13.181 1.00 0.00 C ATOM 0 H MET A 29 -4.624 9.941 -11.112 1.00 0.00 H new ATOM 0 HA MET A 29 -4.444 11.619 -8.706 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.742 10.889 -10.564 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.903 11.911 -9.149 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.641 13.533 -10.747 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.960 13.297 -10.310 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.011 12.060 -14.239 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.667 11.552 -12.665 1.00 0.00 H new ATOM 0 HE3 MET A 29 -7.569 13.282 -13.072 1.00 0.00 H new ATOM 446 N PHE A 30 -4.928 8.609 -8.477 1.00 0.00 N ATOM 447 CA PHE A 30 -5.307 7.478 -7.639 1.00 0.00 C ATOM 448 C PHE A 30 -4.071 6.768 -7.092 1.00 0.00 C ATOM 449 O PHE A 30 -3.106 6.532 -7.819 1.00 0.00 O ATOM 450 CB PHE A 30 -6.165 6.491 -8.433 1.00 0.00 C ATOM 451 CG PHE A 30 -7.630 6.823 -8.417 1.00 0.00 C ATOM 452 CD1 PHE A 30 -8.416 6.499 -7.323 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.221 7.460 -9.497 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.764 6.804 -7.306 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.568 7.767 -9.485 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.341 7.438 -8.388 1.00 0.00 C ATOM 0 H PHE A 30 -4.197 8.403 -9.158 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.888 7.860 -6.799 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.817 6.468 -9.466 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.023 5.490 -8.027 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.970 6.002 -6.474 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.622 7.719 -10.357 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.365 6.546 -6.447 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.016 8.264 -10.333 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.394 7.676 -8.377 1.00 0.00 H new ATOM 466 N ILE A 31 -4.110 6.432 -5.807 1.00 0.00 N ATOM 467 CA ILE A 31 -2.994 5.750 -5.163 1.00 0.00 C ATOM 468 C ILE A 31 -3.468 4.510 -4.412 1.00 0.00 C ATOM 469 O ILE A 31 -4.474 4.548 -3.703 1.00 0.00 O ATOM 470 CB ILE A 31 -2.256 6.680 -4.182 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.598 7.835 -4.938 1.00 0.00 C ATOM 472 CG2 ILE A 31 -1.219 5.898 -3.390 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.464 9.098 -4.115 1.00 0.00 C ATOM 0 H ILE A 31 -4.901 6.621 -5.192 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.307 5.452 -5.955 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.981 7.096 -3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.609 7.523 -5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.183 8.054 -5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.706 6.569 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.713 5.107 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.494 5.457 -4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.989 9.874 -4.715 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.452 9.435 -3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.854 8.896 -3.235 1.00 0.00 H new ATOM 485 N ARG A 32 -2.736 3.413 -4.571 1.00 0.00 N ATOM 486 CA ARG A 32 -3.081 2.161 -3.908 1.00 0.00 C ATOM 487 C ARG A 32 -1.852 1.536 -3.254 1.00 0.00 C ATOM 488 O ARG A 32 -0.752 2.084 -3.324 1.00 0.00 O ATOM 489 CB ARG A 32 -3.693 1.180 -4.909 1.00 0.00 C ATOM 490 CG ARG A 32 -4.982 1.680 -5.541 1.00 0.00 C ATOM 491 CD ARG A 32 -5.649 0.599 -6.377 1.00 0.00 C ATOM 492 NE ARG A 32 -6.928 1.041 -6.925 1.00 0.00 N ATOM 493 CZ ARG A 32 -7.040 1.906 -7.927 1.00 0.00 C ATOM 494 NH1 ARG A 32 -5.953 2.418 -8.489 1.00 0.00 N ATOM 495 NH2 ARG A 32 -8.239 2.259 -8.370 1.00 0.00 N ATOM 0 H ARG A 32 -1.900 3.365 -5.153 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.813 2.381 -3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.967 0.977 -5.696 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.889 0.234 -4.404 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.666 2.012 -4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.769 2.546 -6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.986 0.311 -7.192 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.805 -0.289 -5.764 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.783 0.665 -6.516 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.029 2.148 -8.152 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.041 3.082 -9.258 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.077 1.866 -7.941 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.323 2.923 -9.139 1.00 0.00 H new ATOM 509 N VAL A 33 -2.047 0.385 -2.618 1.00 0.00 N ATOM 510 CA VAL A 33 -0.955 -0.316 -1.952 1.00 0.00 C ATOM 511 C VAL A 33 -0.178 -1.184 -2.936 1.00 0.00 C ATOM 512 O VAL A 33 -0.758 -1.793 -3.834 1.00 0.00 O ATOM 513 CB VAL A 33 -1.474 -1.200 -0.803 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.368 -2.106 -0.285 1.00 0.00 C ATOM 515 CG2 VAL A 33 -2.038 -0.339 0.318 1.00 0.00 C ATOM 0 H VAL A 33 -2.951 -0.082 -2.550 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.292 0.446 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.277 -1.830 -1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.753 -2.723 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.015 -2.747 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.458 -1.498 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.400 -0.980 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.256 0.317 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.862 0.263 -0.065 1.00 0.00 H new ATOM 525 N ALA A 34 1.138 -1.236 -2.759 1.00 0.00 N ATOM 526 CA ALA A 34 1.995 -2.032 -3.629 1.00 0.00 C ATOM 527 C ALA A 34 2.848 -3.003 -2.820 1.00 0.00 C ATOM 528 O ALA A 34 2.845 -2.972 -1.589 1.00 0.00 O ATOM 529 CB ALA A 34 2.879 -1.125 -4.472 1.00 0.00 C ATOM 0 H ALA A 34 1.634 -0.736 -2.021 1.00 0.00 H new ATOM 0 HA ALA A 34 1.356 -2.616 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.514 -1.733 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.254 -0.476 -5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.503 -0.516 -3.818 1.00 0.00 H new ATOM 535 N THR A 35 3.579 -3.865 -3.520 1.00 0.00 N ATOM 536 CA THR A 35 4.436 -4.847 -2.867 1.00 0.00 C ATOM 537 C THR A 35 5.698 -5.103 -3.682 1.00 0.00 C ATOM 538 O THR A 35 5.646 -5.710 -4.752 1.00 0.00 O ATOM 539 CB THR A 35 3.698 -6.182 -2.652 1.00 0.00 C ATOM 540 OG1 THR A 35 2.482 -5.958 -1.929 1.00 0.00 O ATOM 541 CG2 THR A 35 4.572 -7.167 -1.890 1.00 0.00 C ATOM 0 H THR A 35 3.595 -3.903 -4.539 1.00 0.00 H new ATOM 0 HA THR A 35 4.711 -4.432 -1.897 1.00 0.00 H new ATOM 0 HB THR A 35 3.467 -6.606 -3.629 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.734 -6.367 -2.412 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.030 -8.102 -1.750 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.484 -7.358 -2.456 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.829 -6.748 -0.917 1.00 0.00 H new ATOM 549 N VAL A 36 6.833 -4.638 -3.169 1.00 0.00 N ATOM 550 CA VAL A 36 8.110 -4.818 -3.848 1.00 0.00 C ATOM 551 C VAL A 36 8.426 -6.297 -4.040 1.00 0.00 C ATOM 552 O VAL A 36 8.731 -7.006 -3.082 1.00 0.00 O ATOM 553 CB VAL A 36 9.260 -4.156 -3.067 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.556 -4.227 -3.860 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.912 -2.714 -2.727 1.00 0.00 C ATOM 0 H VAL A 36 6.894 -4.133 -2.285 1.00 0.00 H new ATOM 0 HA VAL A 36 8.020 -4.339 -4.823 1.00 0.00 H new ATOM 0 HB VAL A 36 9.403 -4.702 -2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.357 -3.754 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.811 -5.270 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.430 -3.708 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.736 -2.261 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.741 -2.155 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.010 -2.692 -2.115 1.00 0.00 H new ATOM 565 N ALA A 37 8.352 -6.756 -5.285 1.00 0.00 N ATOM 566 CA ALA A 37 8.633 -8.150 -5.604 1.00 0.00 C ATOM 567 C ALA A 37 10.118 -8.363 -5.877 1.00 0.00 C ATOM 568 O ALA A 37 10.708 -9.343 -5.423 1.00 0.00 O ATOM 569 CB ALA A 37 7.805 -8.595 -6.800 1.00 0.00 C ATOM 0 H ALA A 37 8.100 -6.182 -6.090 1.00 0.00 H new ATOM 0 HA ALA A 37 8.359 -8.756 -4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.025 -9.638 -7.027 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.745 -8.490 -6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.051 -7.976 -7.663 1.00 0.00 H new ATOM 575 N ASP A 38 10.716 -7.439 -6.621 1.00 0.00 N ATOM 576 CA ASP A 38 12.133 -7.525 -6.954 1.00 0.00 C ATOM 577 C ASP A 38 12.749 -6.134 -7.070 1.00 0.00 C ATOM 578 O ASP A 38 12.208 -5.257 -7.743 1.00 0.00 O ATOM 579 CB ASP A 38 12.325 -8.292 -8.263 1.00 0.00 C ATOM 580 CG ASP A 38 13.715 -8.884 -8.389 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.153 -9.574 -7.445 1.00 0.00 O ATOM 582 OD2 ASP A 38 14.366 -8.655 -9.430 1.00 0.00 O ATOM 0 H ASP A 38 10.241 -6.622 -7.005 1.00 0.00 H new ATOM 0 HA ASP A 38 12.638 -8.061 -6.150 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.586 -9.091 -8.324 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.141 -7.623 -9.103 1.00 0.00 H new ATOM 587 N THR A 39 13.886 -5.939 -6.408 1.00 0.00 N ATOM 588 CA THR A 39 14.575 -4.655 -6.434 1.00 0.00 C ATOM 589 C THR A 39 15.801 -4.708 -7.338 1.00 0.00 C ATOM 590 O THR A 39 16.763 -5.423 -7.054 1.00 0.00 O ATOM 591 CB THR A 39 15.010 -4.222 -5.022 1.00 0.00 C ATOM 592 OG1 THR A 39 15.884 -5.204 -4.455 1.00 0.00 O ATOM 593 CG2 THR A 39 13.801 -4.030 -4.118 1.00 0.00 C ATOM 0 H THR A 39 14.349 -6.655 -5.847 1.00 0.00 H new ATOM 0 HA THR A 39 13.868 -3.925 -6.827 1.00 0.00 H new ATOM 0 HB THR A 39 15.537 -3.272 -5.104 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.394 -5.640 -5.170 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.133 -3.724 -3.126 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.152 -3.260 -4.537 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.250 -4.968 -4.043 1.00 0.00 H new ATOM 601 N ASP A 40 15.762 -3.947 -8.426 1.00 0.00 N ATOM 602 CA ASP A 40 16.872 -3.906 -9.371 1.00 0.00 C ATOM 603 C ASP A 40 17.894 -2.849 -8.963 1.00 0.00 C ATOM 604 O ASP A 40 17.765 -2.219 -7.913 1.00 0.00 O ATOM 605 CB ASP A 40 16.358 -3.618 -10.782 1.00 0.00 C ATOM 606 CG ASP A 40 17.246 -4.216 -11.855 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.604 -5.407 -11.734 1.00 0.00 O ATOM 608 OD2 ASP A 40 17.584 -3.494 -12.816 1.00 0.00 O ATOM 0 H ASP A 40 14.974 -3.350 -8.676 1.00 0.00 H new ATOM 0 HA ASP A 40 17.360 -4.880 -9.363 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.349 -4.016 -10.886 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.292 -2.540 -10.928 1.00 0.00 H new ATOM 613 N ASP A 41 18.910 -2.662 -9.799 1.00 0.00 N ATOM 614 CA ASP A 41 19.954 -1.682 -9.525 1.00 0.00 C ATOM 615 C ASP A 41 19.350 -0.355 -9.074 1.00 0.00 C ATOM 616 O ASP A 41 19.556 0.079 -7.941 1.00 0.00 O ATOM 617 CB ASP A 41 20.819 -1.467 -10.768 1.00 0.00 C ATOM 618 CG ASP A 41 21.803 -2.599 -10.992 1.00 0.00 C ATOM 619 OD1 ASP A 41 21.422 -3.596 -11.641 1.00 0.00 O ATOM 620 OD2 ASP A 41 22.953 -2.486 -10.520 1.00 0.00 O ATOM 0 H ASP A 41 19.032 -3.176 -10.671 1.00 0.00 H new ATOM 0 HA ASP A 41 20.578 -2.068 -8.719 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.176 -1.370 -11.643 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.365 -0.529 -10.669 1.00 0.00 H new ATOM 625 N HIS A 42 18.605 0.284 -9.970 1.00 0.00 N ATOM 626 CA HIS A 42 17.972 1.562 -9.664 1.00 0.00 C ATOM 627 C HIS A 42 16.471 1.502 -9.933 1.00 0.00 C ATOM 628 O HIS A 42 15.863 2.494 -10.337 1.00 0.00 O ATOM 629 CB HIS A 42 18.605 2.680 -10.492 1.00 0.00 C ATOM 630 CG HIS A 42 20.046 2.439 -10.821 1.00 0.00 C ATOM 631 ND1 HIS A 42 21.079 3.140 -10.235 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.625 1.568 -11.680 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.231 2.711 -10.720 1.00 0.00 C ATOM 634 NE2 HIS A 42 21.982 1.756 -11.599 1.00 0.00 N ATOM 0 H HIS A 42 18.425 -0.062 -10.913 1.00 0.00 H new ATOM 0 HA HIS A 42 18.127 1.772 -8.606 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.044 2.797 -11.419 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.518 3.619 -9.946 1.00 0.00 H new ATOM 0 HD2 HIS A 42 20.114 0.857 -12.312 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.209 3.078 -10.445 1.00 0.00 H new ATOM 0 HE2 HIS A 42 22.684 1.242 -12.131 1.00 0.00 H new ATOM 643 N ARG A 43 15.880 0.334 -9.705 1.00 0.00 N ATOM 644 CA ARG A 43 14.451 0.144 -9.925 1.00 0.00 C ATOM 645 C ARG A 43 13.890 -0.908 -8.973 1.00 0.00 C ATOM 646 O ARG A 43 14.640 -1.613 -8.298 1.00 0.00 O ATOM 647 CB ARG A 43 14.186 -0.270 -11.373 1.00 0.00 C ATOM 648 CG ARG A 43 14.959 0.551 -12.393 1.00 0.00 C ATOM 649 CD ARG A 43 14.652 0.106 -13.814 1.00 0.00 C ATOM 650 NE ARG A 43 14.996 1.132 -14.795 1.00 0.00 N ATOM 651 CZ ARG A 43 14.573 1.116 -16.054 1.00 0.00 C ATOM 652 NH1 ARG A 43 13.796 0.131 -16.483 1.00 0.00 N ATOM 653 NH2 ARG A 43 14.928 2.086 -16.887 1.00 0.00 N ATOM 0 H ARG A 43 16.369 -0.495 -9.368 1.00 0.00 H new ATOM 0 HA ARG A 43 13.950 1.092 -9.728 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.445 -1.322 -11.494 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.119 -0.179 -11.579 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.708 1.605 -12.279 1.00 0.00 H new ATOM 0 HG3 ARG A 43 16.028 0.456 -12.204 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.205 -0.807 -14.035 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.592 -0.135 -13.898 1.00 0.00 H new ATOM 0 HE ARG A 43 15.594 1.903 -14.497 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.522 -0.617 -15.846 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.472 0.121 -17.450 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.526 2.845 -16.561 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.603 2.073 -17.854 1.00 0.00 H new ATOM 667 N VAL A 44 12.565 -1.007 -8.923 1.00 0.00 N ATOM 668 CA VAL A 44 11.903 -1.973 -8.055 1.00 0.00 C ATOM 669 C VAL A 44 10.514 -2.320 -8.578 1.00 0.00 C ATOM 670 O VAL A 44 9.677 -1.440 -8.783 1.00 0.00 O ATOM 671 CB VAL A 44 11.779 -1.440 -6.615 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.155 -1.176 -6.023 1.00 0.00 C ATOM 673 CG2 VAL A 44 10.925 -0.181 -6.585 1.00 0.00 C ATOM 0 H VAL A 44 11.929 -0.430 -9.474 1.00 0.00 H new ATOM 0 HA VAL A 44 12.521 -2.871 -8.051 1.00 0.00 H new ATOM 0 HB VAL A 44 11.288 -2.199 -6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.047 -0.800 -5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.729 -2.103 -6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.676 -0.436 -6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.848 0.182 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.385 0.586 -7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.929 -0.408 -6.965 1.00 0.00 H new ATOM 683 N LYS A 45 10.273 -3.609 -8.792 1.00 0.00 N ATOM 684 CA LYS A 45 8.985 -4.076 -9.289 1.00 0.00 C ATOM 685 C LYS A 45 7.900 -3.910 -8.230 1.00 0.00 C ATOM 686 O LYS A 45 7.890 -4.616 -7.221 1.00 0.00 O ATOM 687 CB LYS A 45 9.079 -5.543 -9.713 1.00 0.00 C ATOM 688 CG LYS A 45 7.952 -5.986 -10.629 1.00 0.00 C ATOM 689 CD LYS A 45 8.348 -7.197 -11.456 1.00 0.00 C ATOM 690 CE LYS A 45 7.591 -7.245 -12.774 1.00 0.00 C ATOM 691 NZ LYS A 45 7.926 -8.463 -13.563 1.00 0.00 N ATOM 0 H LYS A 45 10.955 -4.350 -8.628 1.00 0.00 H new ATOM 0 HA LYS A 45 8.718 -3.471 -10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.031 -5.706 -10.218 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.079 -6.171 -8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.070 -6.224 -10.034 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.677 -5.166 -11.292 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.420 -7.170 -11.652 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.150 -8.106 -10.889 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.519 -7.223 -12.578 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.826 -6.357 -13.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.389 -8.458 -14.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.945 -8.472 -13.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.678 -9.311 -13.014 1.00 0.00 H new ATOM 705 N VAL A 46 6.986 -2.974 -8.466 1.00 0.00 N ATOM 706 CA VAL A 46 5.895 -2.717 -7.533 1.00 0.00 C ATOM 707 C VAL A 46 4.618 -3.424 -7.974 1.00 0.00 C ATOM 708 O VAL A 46 4.033 -3.088 -9.004 1.00 0.00 O ATOM 709 CB VAL A 46 5.614 -1.209 -7.399 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.745 -0.519 -6.651 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.410 -0.582 -8.770 1.00 0.00 C ATOM 0 H VAL A 46 6.979 -2.381 -9.296 1.00 0.00 H new ATOM 0 HA VAL A 46 6.208 -3.107 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 46 4.697 -1.077 -6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.529 0.546 -6.566 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.839 -0.951 -5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.679 -0.657 -7.196 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.212 0.484 -8.657 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.308 -0.723 -9.372 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.563 -1.057 -9.265 1.00 0.00 H new ATOM 721 N HIS A 47 4.190 -4.405 -7.186 1.00 0.00 N ATOM 722 CA HIS A 47 2.980 -5.160 -7.494 1.00 0.00 C ATOM 723 C HIS A 47 1.799 -4.653 -6.672 1.00 0.00 C ATOM 724 O HIS A 47 1.915 -4.442 -5.464 1.00 0.00 O ATOM 725 CB HIS A 47 3.200 -6.649 -7.227 1.00 0.00 C ATOM 726 CG HIS A 47 1.930 -7.437 -7.144 1.00 0.00 C ATOM 727 ND1 HIS A 47 1.504 -8.287 -8.143 1.00 0.00 N ATOM 728 CD2 HIS A 47 0.990 -7.503 -6.171 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.357 -8.839 -7.790 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.024 -8.380 -6.597 1.00 0.00 N ATOM 0 H HIS A 47 4.662 -4.696 -6.330 1.00 0.00 H new ATOM 0 HA HIS A 47 2.753 -5.018 -8.550 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.824 -7.063 -8.019 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.751 -6.765 -6.294 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.998 -8.462 -9.018 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.999 -6.966 -5.234 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.212 -9.545 -8.377 1.00 0.00 H new ATOM 739 N PHE A 48 0.663 -4.458 -7.334 1.00 0.00 N ATOM 740 CA PHE A 48 -0.538 -3.974 -6.664 1.00 0.00 C ATOM 741 C PHE A 48 -1.393 -5.138 -6.171 1.00 0.00 C ATOM 742 O PHE A 48 -2.119 -5.761 -6.946 1.00 0.00 O ATOM 743 CB PHE A 48 -1.355 -3.093 -7.611 1.00 0.00 C ATOM 744 CG PHE A 48 -0.743 -1.742 -7.851 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.559 -1.629 -8.312 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.469 -0.586 -7.616 1.00 0.00 C ATOM 747 CE1 PHE A 48 1.126 -0.388 -8.534 1.00 0.00 C ATOM 748 CE2 PHE A 48 -0.908 0.658 -7.837 1.00 0.00 C ATOM 749 CZ PHE A 48 0.391 0.757 -8.295 1.00 0.00 C ATOM 0 H PHE A 48 0.549 -4.628 -8.333 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.229 -3.382 -5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.468 -3.607 -8.566 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.356 -2.962 -7.200 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.138 -2.521 -8.500 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.485 -0.657 -7.256 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.142 -0.314 -8.894 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.485 1.552 -7.652 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.832 1.728 -8.466 1.00 0.00 H new ATOM 759 N ASP A 49 -1.299 -5.426 -4.877 1.00 0.00 N ATOM 760 CA ASP A 49 -2.063 -6.515 -4.279 1.00 0.00 C ATOM 761 C ASP A 49 -3.485 -6.549 -4.832 1.00 0.00 C ATOM 762 O ASP A 49 -4.210 -5.557 -4.771 1.00 0.00 O ATOM 763 CB ASP A 49 -2.098 -6.366 -2.757 1.00 0.00 C ATOM 764 CG ASP A 49 -2.739 -7.557 -2.074 1.00 0.00 C ATOM 765 OD1 ASP A 49 -2.269 -8.693 -2.297 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.709 -7.355 -1.314 1.00 0.00 O ATOM 0 H ASP A 49 -0.702 -4.921 -4.223 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.571 -7.454 -4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.082 -6.240 -2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.648 -5.462 -2.496 1.00 0.00 H new ATOM 771 N GLY A 50 -3.877 -7.698 -5.373 1.00 0.00 N ATOM 772 CA GLY A 50 -5.209 -7.840 -5.930 1.00 0.00 C ATOM 773 C GLY A 50 -5.216 -7.765 -7.444 1.00 0.00 C ATOM 774 O GLY A 50 -5.644 -8.703 -8.117 1.00 0.00 O ATOM 0 H GLY A 50 -3.295 -8.534 -5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.631 -8.794 -5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.853 -7.058 -5.528 1.00 0.00 H new ATOM 778 N TRP A 51 -4.742 -6.646 -7.981 1.00 0.00 N ATOM 779 CA TRP A 51 -4.696 -6.452 -9.426 1.00 0.00 C ATOM 780 C TRP A 51 -3.975 -7.609 -10.109 1.00 0.00 C ATOM 781 O TRP A 51 -3.332 -8.426 -9.451 1.00 0.00 O ATOM 782 CB TRP A 51 -4.001 -5.132 -9.762 1.00 0.00 C ATOM 783 CG TRP A 51 -4.775 -3.925 -9.328 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.911 -3.454 -8.053 1.00 0.00 C ATOM 785 CD2 TRP A 51 -5.521 -3.037 -10.167 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.697 -2.327 -8.050 1.00 0.00 N ATOM 787 CE2 TRP A 51 -6.083 -2.050 -9.335 1.00 0.00 C ATOM 788 CE3 TRP A 51 -5.767 -2.979 -11.542 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -6.876 -1.019 -9.833 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -6.555 -1.956 -12.035 1.00 0.00 C ATOM 791 CH2 TRP A 51 -7.101 -0.987 -11.182 1.00 0.00 C ATOM 0 H TRP A 51 -4.384 -5.860 -7.438 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.721 -6.419 -9.796 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -3.020 -5.115 -9.287 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.835 -5.081 -10.838 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.466 -3.902 -7.176 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -5.952 -1.784 -7.225 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.349 -3.720 -12.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.298 -0.272 -9.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -6.753 -1.902 -13.095 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.712 -0.199 -11.598 1.00 0.00 H new ATOM 841 N TYR A 55 -0.332 -6.202 -14.775 1.00 0.00 N ATOM 842 CA TYR A 55 -0.233 -4.763 -14.561 1.00 0.00 C ATOM 843 C TYR A 55 1.146 -4.385 -14.030 1.00 0.00 C ATOM 844 O TYR A 55 1.703 -3.350 -14.397 1.00 0.00 O ATOM 845 CB TYR A 55 -1.314 -4.295 -13.585 1.00 0.00 C ATOM 846 CG TYR A 55 -2.617 -3.926 -14.256 1.00 0.00 C ATOM 847 CD1 TYR A 55 -2.710 -2.801 -15.065 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.756 -4.702 -14.080 1.00 0.00 C ATOM 849 CE1 TYR A 55 -3.899 -2.459 -15.680 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.949 -4.369 -14.692 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.015 -3.246 -15.491 1.00 0.00 C ATOM 852 OH TYR A 55 -6.202 -2.910 -16.101 1.00 0.00 O ATOM 0 HA TYR A 55 -0.381 -4.268 -15.521 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.501 -5.085 -12.857 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.943 -3.432 -13.032 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.838 -2.183 -15.216 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.708 -5.581 -13.454 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.954 -1.580 -16.305 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.825 -4.984 -14.546 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.889 -3.568 -15.866 1.00 0.00 H new ATOM 862 N ASP A 56 1.692 -5.231 -13.163 1.00 0.00 N ATOM 863 CA ASP A 56 3.007 -4.988 -12.581 1.00 0.00 C ATOM 864 C ASP A 56 3.925 -4.296 -13.584 1.00 0.00 C ATOM 865 O ASP A 56 3.826 -4.521 -14.790 1.00 0.00 O ATOM 866 CB ASP A 56 3.635 -6.304 -12.121 1.00 0.00 C ATOM 867 CG ASP A 56 2.692 -7.127 -11.265 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.726 -6.551 -10.723 1.00 0.00 O ATOM 869 OD2 ASP A 56 2.921 -8.348 -11.137 1.00 0.00 O ATOM 0 H ASP A 56 1.244 -6.091 -12.848 1.00 0.00 H new ATOM 0 HA ASP A 56 2.881 -4.333 -11.719 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.931 -6.886 -12.993 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.543 -6.092 -11.556 1.00 0.00 H new ATOM 874 N TYR A 57 4.816 -3.452 -13.076 1.00 0.00 N ATOM 875 CA TYR A 57 5.750 -2.723 -13.927 1.00 0.00 C ATOM 876 C TYR A 57 6.984 -2.294 -13.139 1.00 0.00 C ATOM 877 O TYR A 57 6.895 -1.968 -11.955 1.00 0.00 O ATOM 878 CB TYR A 57 5.067 -1.497 -14.535 1.00 0.00 C ATOM 879 CG TYR A 57 4.311 -0.662 -13.527 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.985 0.126 -12.602 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.922 -0.660 -13.499 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.299 0.890 -11.678 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.227 0.102 -12.580 1.00 0.00 C ATOM 884 CZ TYR A 57 2.919 0.874 -11.671 1.00 0.00 C ATOM 885 OH TYR A 57 2.231 1.635 -10.754 1.00 0.00 O ATOM 0 H TYR A 57 4.912 -3.256 -12.080 1.00 0.00 H new ATOM 0 HA TYR A 57 6.068 -3.389 -14.729 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.820 -0.874 -15.018 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.377 -1.824 -15.313 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.065 0.141 -12.606 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.376 -1.265 -14.208 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.839 1.496 -10.966 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.147 0.093 -12.574 1.00 0.00 H new ATOM 0 HH TYR A 57 1.845 1.051 -10.068 1.00 0.00 H new ATOM 895 N TRP A 58 8.133 -2.296 -13.804 1.00 0.00 N ATOM 896 CA TRP A 58 9.386 -1.906 -13.168 1.00 0.00 C ATOM 897 C TRP A 58 9.465 -0.392 -13.003 1.00 0.00 C ATOM 898 O TRP A 58 9.693 0.335 -13.970 1.00 0.00 O ATOM 899 CB TRP A 58 10.576 -2.405 -13.989 1.00 0.00 C ATOM 900 CG TRP A 58 10.960 -3.820 -13.678 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.658 -4.931 -14.412 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.715 -4.275 -12.550 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.180 -6.050 -13.809 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.834 -5.674 -12.666 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.305 -3.637 -11.456 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.517 -6.443 -11.727 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.982 -4.401 -10.525 1.00 0.00 C ATOM 908 CH2 TRP A 58 13.084 -5.792 -10.665 1.00 0.00 C ATOM 0 H TRP A 58 8.223 -2.563 -14.784 1.00 0.00 H new ATOM 0 HA TRP A 58 9.420 -2.363 -12.179 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.336 -2.326 -15.049 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.432 -1.755 -13.807 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.092 -4.930 -15.332 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.094 -7.005 -14.156 1.00 0.00 H new ATOM 0 HE3 TRP A 58 12.233 -2.566 -11.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.596 -7.515 -11.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.441 -3.918 -9.675 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.621 -6.361 -9.920 1.00 0.00 H new ATOM 919 N ILE A 59 9.275 0.076 -11.774 1.00 0.00 N ATOM 920 CA ILE A 59 9.327 1.503 -11.484 1.00 0.00 C ATOM 921 C ILE A 59 10.622 1.872 -10.768 1.00 0.00 C ATOM 922 O ILE A 59 11.163 1.081 -9.996 1.00 0.00 O ATOM 923 CB ILE A 59 8.131 1.946 -10.620 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.995 3.470 -10.642 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.294 1.444 -9.194 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.642 3.962 -10.177 1.00 0.00 C ATOM 0 H ILE A 59 9.084 -0.513 -10.963 1.00 0.00 H new ATOM 0 HA ILE A 59 9.284 2.021 -12.442 1.00 0.00 H new ATOM 0 HB ILE A 59 7.221 1.513 -11.035 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.768 3.905 -10.009 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.174 3.828 -11.656 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.441 1.765 -8.596 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.347 0.355 -9.195 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.211 1.851 -8.767 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.617 5.051 -10.219 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.865 3.556 -10.825 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.468 3.634 -9.152 1.00 0.00 H new ATOM 938 N ASP A 60 11.111 3.080 -11.029 1.00 0.00 N ATOM 939 CA ASP A 60 12.342 3.556 -10.407 1.00 0.00 C ATOM 940 C ASP A 60 12.130 3.825 -8.920 1.00 0.00 C ATOM 941 O ASP A 60 11.274 4.622 -8.539 1.00 0.00 O ATOM 942 CB ASP A 60 12.831 4.827 -11.103 1.00 0.00 C ATOM 943 CG ASP A 60 13.213 4.584 -12.550 1.00 0.00 C ATOM 944 OD1 ASP A 60 14.142 3.785 -12.793 1.00 0.00 O ATOM 945 OD2 ASP A 60 12.581 5.191 -13.439 1.00 0.00 O ATOM 0 H ASP A 60 10.675 3.747 -11.666 1.00 0.00 H new ATOM 0 HA ASP A 60 13.099 2.779 -10.513 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.049 5.586 -11.059 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.692 5.224 -10.565 1.00 0.00 H new ATOM 950 N ALA A 61 12.916 3.153 -8.085 1.00 0.00 N ATOM 951 CA ALA A 61 12.815 3.320 -6.640 1.00 0.00 C ATOM 952 C ALA A 61 13.017 4.777 -6.241 1.00 0.00 C ATOM 953 O ALA A 61 12.564 5.209 -5.181 1.00 0.00 O ATOM 954 CB ALA A 61 13.830 2.432 -5.935 1.00 0.00 C ATOM 0 H ALA A 61 13.629 2.488 -8.384 1.00 0.00 H new ATOM 0 HA ALA A 61 11.812 3.022 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.744 2.566 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.638 1.389 -6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.836 2.704 -6.255 1.00 0.00 H new ATOM 960 N ASP A 62 13.700 5.531 -7.095 1.00 0.00 N ATOM 961 CA ASP A 62 13.962 6.941 -6.831 1.00 0.00 C ATOM 962 C ASP A 62 12.930 7.824 -7.526 1.00 0.00 C ATOM 963 O ASP A 62 13.099 9.041 -7.614 1.00 0.00 O ATOM 964 CB ASP A 62 15.370 7.317 -7.297 1.00 0.00 C ATOM 965 CG ASP A 62 15.451 7.507 -8.799 1.00 0.00 C ATOM 966 OD1 ASP A 62 15.178 6.537 -9.535 1.00 0.00 O ATOM 967 OD2 ASP A 62 15.789 8.627 -9.238 1.00 0.00 O ATOM 0 H ASP A 62 14.083 5.189 -7.977 1.00 0.00 H new ATOM 0 HA ASP A 62 13.889 7.104 -5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.681 8.236 -6.800 1.00 0.00 H new ATOM 0 HB3 ASP A 62 16.070 6.538 -6.994 1.00 0.00 H new ATOM 972 N SER A 63 11.863 7.204 -8.020 1.00 0.00 N ATOM 973 CA SER A 63 10.807 7.933 -8.712 1.00 0.00 C ATOM 974 C SER A 63 9.992 8.770 -7.730 1.00 0.00 C ATOM 975 O SER A 63 9.724 8.362 -6.600 1.00 0.00 O ATOM 976 CB SER A 63 9.889 6.960 -9.454 1.00 0.00 C ATOM 977 OG SER A 63 8.973 7.655 -10.283 1.00 0.00 O ATOM 0 H SER A 63 11.707 6.198 -7.954 1.00 0.00 H new ATOM 0 HA SER A 63 11.274 8.603 -9.434 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.488 6.280 -10.059 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.343 6.350 -8.735 1.00 0.00 H new ATOM 0 HG SER A 63 8.058 7.388 -10.055 1.00 0.00 H new ATOM 983 N PRO A 64 9.589 9.971 -8.171 1.00 0.00 N ATOM 984 CA PRO A 64 8.799 10.892 -7.349 1.00 0.00 C ATOM 985 C PRO A 64 7.377 10.390 -7.119 1.00 0.00 C ATOM 986 O PRO A 64 6.717 10.786 -6.158 1.00 0.00 O ATOM 987 CB PRO A 64 8.783 12.181 -8.174 1.00 0.00 C ATOM 988 CG PRO A 64 8.983 11.732 -9.581 1.00 0.00 C ATOM 989 CD PRO A 64 9.872 10.522 -9.507 1.00 0.00 C ATOM 0 HA PRO A 64 9.223 11.013 -6.352 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.839 12.713 -8.059 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.574 12.862 -7.860 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.031 11.488 -10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.443 12.518 -10.180 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.641 9.805 -10.295 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.923 10.788 -9.617 1.00 0.00 H new ATOM 997 N ASP A 65 6.913 9.516 -8.005 1.00 0.00 N ATOM 998 CA ASP A 65 5.570 8.958 -7.897 1.00 0.00 C ATOM 999 C ASP A 65 5.499 7.925 -6.778 1.00 0.00 C ATOM 1000 O ASP A 65 4.481 7.803 -6.096 1.00 0.00 O ATOM 1001 CB ASP A 65 5.151 8.322 -9.223 1.00 0.00 C ATOM 1002 CG ASP A 65 5.723 9.052 -10.422 1.00 0.00 C ATOM 1003 OD1 ASP A 65 5.542 10.285 -10.508 1.00 0.00 O ATOM 1004 OD2 ASP A 65 6.352 8.391 -11.275 1.00 0.00 O ATOM 0 H ASP A 65 7.447 9.179 -8.806 1.00 0.00 H new ATOM 0 HA ASP A 65 4.884 9.771 -7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.479 7.283 -9.244 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.063 8.314 -9.291 1.00 0.00 H new ATOM 1009 N ILE A 66 6.586 7.182 -6.595 1.00 0.00 N ATOM 1010 CA ILE A 66 6.646 6.159 -5.558 1.00 0.00 C ATOM 1011 C ILE A 66 6.494 6.773 -4.171 1.00 0.00 C ATOM 1012 O ILE A 66 7.298 7.611 -3.759 1.00 0.00 O ATOM 1013 CB ILE A 66 7.970 5.375 -5.618 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.974 4.428 -6.820 1.00 0.00 C ATOM 1015 CG2 ILE A 66 8.186 4.601 -4.326 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.282 3.692 -7.005 1.00 0.00 C ATOM 0 H ILE A 66 7.437 7.269 -7.151 1.00 0.00 H new ATOM 0 HA ILE A 66 5.818 5.474 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 66 8.790 6.084 -5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.171 3.701 -6.702 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.757 4.999 -7.723 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.126 4.052 -4.384 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.223 5.296 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.364 3.900 -4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.212 3.039 -7.875 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.087 4.412 -7.155 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.491 3.094 -6.118 1.00 0.00 H new ATOM 1028 N HIS A 67 5.459 6.350 -3.453 1.00 0.00 N ATOM 1029 CA HIS A 67 5.202 6.856 -2.109 1.00 0.00 C ATOM 1030 C HIS A 67 5.130 5.712 -1.102 1.00 0.00 C ATOM 1031 O HIS A 67 4.631 4.625 -1.396 1.00 0.00 O ATOM 1032 CB HIS A 67 3.900 7.657 -2.083 1.00 0.00 C ATOM 1033 CG HIS A 67 3.848 8.748 -3.108 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.717 9.818 -3.113 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.024 8.929 -4.166 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.429 10.611 -4.129 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.406 10.094 -4.785 1.00 0.00 N ATOM 0 H HIS A 67 4.784 5.658 -3.779 1.00 0.00 H new ATOM 0 HA HIS A 67 6.028 7.510 -1.830 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.062 6.978 -2.244 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.771 8.094 -1.093 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.216 8.278 -4.468 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.943 11.527 -4.381 1.00 0.00 H new ATOM 0 HE2 HIS A 67 2.971 10.495 -5.616 1.00 0.00 H new ATOM 1046 N PRO A 68 5.639 5.960 0.114 1.00 0.00 N ATOM 1047 CA PRO A 68 5.644 4.962 1.188 1.00 0.00 C ATOM 1048 C PRO A 68 4.245 4.681 1.724 1.00 0.00 C ATOM 1049 O PRO A 68 3.310 5.444 1.480 1.00 0.00 O ATOM 1050 CB PRO A 68 6.511 5.611 2.270 1.00 0.00 C ATOM 1051 CG PRO A 68 6.394 7.075 2.022 1.00 0.00 C ATOM 1052 CD PRO A 68 6.249 7.232 0.533 1.00 0.00 C ATOM 0 HA PRO A 68 6.016 3.996 0.846 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.160 5.349 3.268 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.547 5.279 2.199 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.533 7.492 2.544 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.274 7.604 2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.618 8.083 0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.213 7.394 0.050 1.00 0.00 H new ATOM 1060 N VAL A 69 4.107 3.581 2.457 1.00 0.00 N ATOM 1061 CA VAL A 69 2.821 3.200 3.030 1.00 0.00 C ATOM 1062 C VAL A 69 2.249 4.320 3.890 1.00 0.00 C ATOM 1063 O VAL A 69 1.040 4.395 4.107 1.00 0.00 O ATOM 1064 CB VAL A 69 2.943 1.923 3.883 1.00 0.00 C ATOM 1065 CG1 VAL A 69 1.741 1.780 4.805 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.090 0.699 2.992 1.00 0.00 C ATOM 0 H VAL A 69 4.870 2.938 2.668 1.00 0.00 H new ATOM 0 HA VAL A 69 2.147 3.007 2.195 1.00 0.00 H new ATOM 0 HB VAL A 69 3.837 2.004 4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.845 0.872 5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.686 2.644 5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.830 1.721 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.175 -0.194 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.216 0.611 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.985 0.801 2.378 1.00 0.00 H new ATOM 1076 N GLY A 70 3.126 5.192 4.378 1.00 0.00 N ATOM 1077 CA GLY A 70 2.689 6.298 5.210 1.00 0.00 C ATOM 1078 C GLY A 70 2.625 7.607 4.447 1.00 0.00 C ATOM 1079 O GLY A 70 3.031 8.651 4.957 1.00 0.00 O ATOM 0 H GLY A 70 4.132 5.152 4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.705 6.072 5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.371 6.406 6.054 1.00 0.00 H new ATOM 1083 N TRP A 71 2.115 7.550 3.222 1.00 0.00 N ATOM 1084 CA TRP A 71 2.000 8.740 2.386 1.00 0.00 C ATOM 1085 C TRP A 71 0.621 9.374 2.527 1.00 0.00 C ATOM 1086 O TRP A 71 0.496 10.594 2.636 1.00 0.00 O ATOM 1087 CB TRP A 71 2.266 8.388 0.922 1.00 0.00 C ATOM 1088 CG TRP A 71 2.092 9.549 -0.010 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.053 10.438 -0.400 1.00 0.00 C ATOM 1090 CD2 TRP A 71 0.884 9.948 -0.666 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.514 11.365 -1.259 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.185 11.086 -1.439 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.423 9.453 -0.677 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.227 11.736 -2.212 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.373 10.099 -1.445 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -1.045 11.230 -2.205 1.00 0.00 C ATOM 0 H TRP A 71 1.775 6.693 2.786 1.00 0.00 H new ATOM 0 HA TRP A 71 2.746 9.461 2.720 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.282 8.004 0.827 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.593 7.586 0.621 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.084 10.416 -0.080 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.021 12.136 -1.693 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.686 8.581 -0.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.478 12.609 -2.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.386 9.726 -1.460 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.810 11.711 -2.796 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.412 8.539 2.525 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.784 9.018 2.653 1.00 0.00 C ATOM 1109 C CYS A 72 -1.936 9.909 3.881 1.00 0.00 C ATOM 1110 O CYS A 72 -2.666 10.899 3.856 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.752 7.838 2.740 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.481 6.763 4.168 1.00 0.00 S ATOM 0 H CYS A 72 -0.326 7.527 2.436 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.021 9.608 1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.772 8.221 2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.666 7.244 1.830 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.350 5.796 4.154 1.00 0.00 H new ATOM 1118 N SER A 73 -1.244 9.548 4.957 1.00 0.00 N ATOM 1119 CA SER A 73 -1.306 10.311 6.198 1.00 0.00 C ATOM 1120 C SER A 73 -0.436 11.561 6.111 1.00 0.00 C ATOM 1121 O SER A 73 -0.895 12.672 6.380 1.00 0.00 O ATOM 1122 CB SER A 73 -0.859 9.445 7.377 1.00 0.00 C ATOM 1123 OG SER A 73 -1.688 8.304 7.516 1.00 0.00 O ATOM 0 H SER A 73 -0.634 8.732 4.994 1.00 0.00 H new ATOM 0 HA SER A 73 -2.340 10.619 6.355 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.175 9.132 7.230 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.887 10.032 8.295 1.00 0.00 H new ATOM 0 HG SER A 73 -1.380 7.766 8.275 1.00 0.00 H new ATOM 1129 N LYS A 74 0.824 11.373 5.734 1.00 0.00 N ATOM 1130 CA LYS A 74 1.760 12.483 5.610 1.00 0.00 C ATOM 1131 C LYS A 74 1.159 13.612 4.778 1.00 0.00 C ATOM 1132 O LYS A 74 1.011 14.738 5.255 1.00 0.00 O ATOM 1133 CB LYS A 74 3.067 12.006 4.972 1.00 0.00 C ATOM 1134 CG LYS A 74 3.993 11.293 5.943 1.00 0.00 C ATOM 1135 CD LYS A 74 5.168 10.653 5.224 1.00 0.00 C ATOM 1136 CE LYS A 74 6.340 11.615 5.105 1.00 0.00 C ATOM 1137 NZ LYS A 74 7.616 10.903 4.819 1.00 0.00 N ATOM 0 H LYS A 74 1.221 10.461 5.509 1.00 0.00 H new ATOM 0 HA LYS A 74 1.968 12.863 6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.834 11.335 4.145 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.589 12.864 4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.361 12.003 6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.436 10.528 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.483 9.759 5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.857 10.332 4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.140 12.334 4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.440 12.182 6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.390 11.594 4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.821 10.234 5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.530 10.383 3.923 1.00 0.00 H new ATOM 1151 N THR A 75 0.812 13.303 3.532 1.00 0.00 N ATOM 1152 CA THR A 75 0.227 14.291 2.635 1.00 0.00 C ATOM 1153 C THR A 75 -1.251 14.505 2.942 1.00 0.00 C ATOM 1154 O THR A 75 -1.817 15.549 2.620 1.00 0.00 O ATOM 1155 CB THR A 75 0.377 13.870 1.161 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.722 13.037 0.775 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.685 13.125 0.941 1.00 0.00 C ATOM 0 H THR A 75 0.926 12.376 3.122 1.00 0.00 H new ATOM 0 HA THR A 75 0.768 15.223 2.796 1.00 0.00 H new ATOM 0 HB THR A 75 0.383 14.771 0.548 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.416 13.586 0.354 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.768 12.838 -0.107 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.521 13.771 1.208 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.704 12.231 1.565 1.00 0.00 H new ATOM 1165 N GLY A 76 -1.871 13.510 3.569 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.278 13.610 3.910 1.00 0.00 C ATOM 1167 C GLY A 76 -4.182 13.353 2.721 1.00 0.00 C ATOM 1168 O GLY A 76 -5.279 13.908 2.634 1.00 0.00 O ATOM 0 H GLY A 76 -1.424 12.636 3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.509 12.895 4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.482 14.603 4.310 1.00 0.00 H new ATOM 1172 N HIS A 77 -3.723 12.511 1.800 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.498 12.183 0.609 1.00 0.00 C ATOM 1174 C HIS A 77 -5.261 10.876 0.801 1.00 0.00 C ATOM 1175 O HIS A 77 -4.832 9.979 1.528 1.00 0.00 O ATOM 1176 CB HIS A 77 -3.581 12.077 -0.609 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.389 13.376 -1.329 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -2.959 14.528 -0.703 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -3.569 13.702 -2.630 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -2.885 15.506 -1.588 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.250 15.031 -2.765 1.00 0.00 N ATOM 0 H HIS A 77 -2.818 12.044 1.856 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.219 12.984 0.443 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.609 11.701 -0.290 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -3.995 11.344 -1.302 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.902 13.040 -3.416 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -2.578 16.521 -1.384 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.289 15.565 -3.633 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.421 10.764 0.136 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.268 9.570 0.218 1.00 0.00 C ATOM 1192 C PRO A 78 -6.641 8.365 -0.475 1.00 0.00 C ATOM 1193 O PRO A 78 -5.980 8.503 -1.506 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.549 9.995 -0.503 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.119 11.073 -1.437 1.00 0.00 C ATOM 1196 CD PRO A 78 -6.993 11.793 -0.747 1.00 0.00 C ATOM 0 HA PRO A 78 -7.427 9.253 1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.996 9.159 -1.042 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.298 10.357 0.201 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.791 10.656 -2.389 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.943 11.753 -1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.257 12.165 -1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.352 12.653 -0.182 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.851 7.185 0.096 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.307 5.954 -0.468 1.00 0.00 C ATOM 1206 C LEU A 79 -7.425 5.021 -0.920 1.00 0.00 C ATOM 1207 O LEU A 79 -8.526 5.046 -0.372 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.421 5.248 0.559 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.595 4.071 0.038 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.493 4.562 -0.888 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.008 3.277 1.195 1.00 0.00 C ATOM 0 H LEU A 79 -7.394 7.054 0.949 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.705 6.217 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.739 5.983 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.055 4.890 1.371 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.253 3.413 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.915 3.711 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.936 5.086 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.837 5.242 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.424 2.444 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.364 3.924 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.815 2.893 1.819 1.00 0.00 H new ATOM 1223 N GLN A 80 -7.133 4.197 -1.921 1.00 0.00 N ATOM 1224 CA GLN A 80 -8.114 3.254 -2.445 1.00 0.00 C ATOM 1225 C GLN A 80 -7.673 1.815 -2.196 1.00 0.00 C ATOM 1226 O GLN A 80 -6.521 1.445 -2.423 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.324 3.484 -3.943 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.855 4.868 -4.278 1.00 0.00 C ATOM 1229 CD GLN A 80 -10.039 5.263 -3.418 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -10.980 4.488 -3.244 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.000 6.474 -2.875 1.00 0.00 N ATOM 0 H GLN A 80 -6.225 4.163 -2.385 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.056 3.421 -1.923 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.377 3.332 -4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.019 2.736 -4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.057 5.600 -4.150 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.148 4.896 -5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.200 7.084 -3.046 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.770 6.794 -2.287 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.610 0.983 -1.718 1.00 0.00 N ATOM 1241 CA PRO A 81 -8.342 -0.428 -1.428 1.00 0.00 C ATOM 1242 C PRO A 81 -8.121 -1.248 -2.694 1.00 0.00 C ATOM 1243 O PRO A 81 -8.659 -0.947 -3.760 1.00 0.00 O ATOM 1244 CB PRO A 81 -9.611 -0.890 -0.707 1.00 0.00 C ATOM 1245 CG PRO A 81 -10.677 0.033 -1.189 1.00 0.00 C ATOM 1246 CD PRO A 81 -10.004 1.357 -1.424 1.00 0.00 C ATOM 0 HA PRO A 81 -7.432 -0.558 -0.843 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.847 -1.927 -0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.495 -0.831 0.375 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.132 -0.342 -2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.475 0.126 -0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.459 1.897 -2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.071 2.003 -0.549 1.00 0.00 H new ATOM 1254 N PRO A 82 -7.310 -2.311 -2.578 1.00 0.00 N ATOM 1255 CA PRO A 82 -7.000 -3.197 -3.704 1.00 0.00 C ATOM 1256 C PRO A 82 -8.201 -4.036 -4.129 1.00 0.00 C ATOM 1257 O PRO A 82 -9.263 -3.978 -3.507 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.889 -4.094 -3.153 1.00 0.00 C ATOM 1259 CG PRO A 82 -6.095 -4.091 -1.678 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.634 -2.729 -1.338 1.00 0.00 C ATOM 0 HA PRO A 82 -6.714 -2.639 -4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.957 -5.103 -3.560 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.903 -3.710 -3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.794 -4.873 -1.380 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.159 -4.283 -1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.326 -2.769 -0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.837 -2.039 -1.062 1.00 0.00 H new