USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 785 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 85 TYR OH : rot 23:sc= 0.242 USER MOD Set 1.2: A 97 THR OG1 : rot 64:sc= 1.33 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 18 MET CE :methyl 138:sc= -0.157 (180deg=-0.917) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 65:sc= 0.202 USER MOD Single : A 29 TYR OH : rot -1:sc= 0.0105 USER MOD Single : A 33 SER OG : rot -26:sc= 0.209 USER MOD Single : A 43 SER OG : rot 180:sc= -0.387 USER MOD Single : A 46 HIS : no HD1:sc= -0.644 K(o=-0.64,f=-1.6) USER MOD Single : A 47 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.26) USER MOD Single : A 48 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.052) USER MOD Single : A 56 CYS SG : rot 77:sc= 0.0819 USER MOD Single : A 58 THR OG1 : rot -5:sc= 0.91 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 69 TYR OH : rot 19:sc= 0.615 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0.178 X(o=0.18,f=-0.092) USER MOD Single : A 76 ASN : amide:sc= -8.5! C(o=-8.5!,f=-3.1!) USER MOD Single : A 79 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.016) USER MOD Single : A 82 GLN : amide:sc= -0.581 X(o=-0.58,f=-0.13) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -57:sc= 0.303 USER MOD Single : A 98 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.19) USER MOD Single : A 101 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.012) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot -99:sc= 0.301 USER MOD ----------------------------------------------------------------- ATOM 217 N ALA A 14 -2.665 17.421 2.764 1.00 22.43 N ATOM 218 CA ALA A 14 -2.428 15.967 2.978 1.00 32.30 C ATOM 219 C ALA A 14 -1.005 15.602 3.487 1.00 53.44 C ATOM 220 O ALA A 14 -0.887 14.816 4.428 1.00 32.03 O ATOM 221 CB ALA A 14 -2.785 15.170 1.711 1.00 13.31 C ATOM 0 HA ALA A 14 -3.095 15.682 3.792 1.00 32.30 H new ATOM 0 HB1 ALA A 14 -2.605 14.109 1.886 1.00 13.31 H new ATOM 0 HB2 ALA A 14 -3.836 15.325 1.468 1.00 13.31 H new ATOM 0 HB3 ALA A 14 -2.167 15.511 0.881 1.00 13.31 H new ATOM 227 N THR A 15 0.047 16.219 2.905 1.00 12.11 N ATOM 228 CA THR A 15 1.414 15.680 2.905 1.00 70.51 C ATOM 229 C THR A 15 1.989 15.455 4.306 1.00 34.42 C ATOM 230 O THR A 15 2.469 14.391 4.558 1.00 11.53 O ATOM 231 CB THR A 15 2.391 16.586 2.086 1.00 32.35 C ATOM 232 OG1 THR A 15 1.849 16.830 0.779 1.00 34.52 O ATOM 233 CG2 THR A 15 3.807 15.967 1.951 1.00 34.10 C ATOM 0 H THR A 15 -0.036 17.112 2.420 1.00 12.11 H new ATOM 0 HA THR A 15 1.329 14.704 2.427 1.00 70.51 H new ATOM 0 HB THR A 15 2.494 17.522 2.635 1.00 32.35 H new ATOM 0 HG1 THR A 15 2.464 17.399 0.271 1.00 34.52 H new ATOM 0 HG21 THR A 15 4.444 16.637 1.374 1.00 34.10 H new ATOM 0 HG22 THR A 15 4.237 15.822 2.942 1.00 34.10 H new ATOM 0 HG23 THR A 15 3.737 15.006 1.442 1.00 34.10 H new ATOM 241 N ALA A 16 1.890 16.443 5.221 1.00 1.13 N ATOM 242 CA ALA A 16 2.547 16.374 6.560 1.00 53.25 C ATOM 243 C ALA A 16 2.196 15.061 7.334 1.00 1.41 C ATOM 244 O ALA A 16 3.061 14.173 7.513 1.00 32.35 O ATOM 245 CB ALA A 16 2.182 17.620 7.379 1.00 45.43 C ATOM 0 H ALA A 16 1.363 17.302 5.064 1.00 1.13 H new ATOM 0 HA ALA A 16 3.625 16.352 6.403 1.00 53.25 H new ATOM 0 HB1 ALA A 16 2.663 17.567 8.356 1.00 45.43 H new ATOM 0 HB2 ALA A 16 2.523 18.513 6.855 1.00 45.43 H new ATOM 0 HB3 ALA A 16 1.101 17.666 7.509 1.00 45.43 H new ATOM 251 N GLN A 17 0.900 14.903 7.654 1.00 12.20 N ATOM 252 CA GLN A 17 0.399 13.744 8.423 1.00 65.23 C ATOM 253 C GLN A 17 0.521 12.435 7.606 1.00 64.23 C ATOM 254 O GLN A 17 0.977 11.426 8.128 1.00 1.15 O ATOM 255 CB GLN A 17 -1.076 13.990 8.838 1.00 71.23 C ATOM 256 CG GLN A 17 -1.666 12.897 9.758 1.00 1.43 C ATOM 257 CD GLN A 17 -3.167 13.059 10.043 1.00 32.22 C ATOM 258 OE1 GLN A 17 -3.702 14.168 10.078 1.00 2.01 O ATOM 259 NE2 GLN A 17 -3.861 11.950 10.249 1.00 74.11 N ATOM 0 H GLN A 17 0.173 15.568 7.391 1.00 12.20 H new ATOM 0 HA GLN A 17 1.010 13.633 9.319 1.00 65.23 H new ATOM 0 HB2 GLN A 17 -1.143 14.952 9.346 1.00 71.23 H new ATOM 0 HB3 GLN A 17 -1.688 14.061 7.939 1.00 71.23 H new ATOM 0 HG2 GLN A 17 -1.497 11.922 9.300 1.00 1.43 H new ATOM 0 HG3 GLN A 17 -1.125 12.903 10.704 1.00 1.43 H new ATOM 0 HE21 GLN A 17 -3.395 11.043 10.215 1.00 74.11 H new ATOM 0 HE22 GLN A 17 -4.861 12.003 10.442 1.00 74.11 H new ATOM 268 N MET A 18 0.143 12.510 6.311 1.00 55.50 N ATOM 269 CA MET A 18 0.101 11.342 5.386 1.00 40.11 C ATOM 270 C MET A 18 1.511 10.752 5.150 1.00 62.34 C ATOM 271 O MET A 18 1.689 9.536 5.115 1.00 21.33 O ATOM 272 CB MET A 18 -0.503 11.783 4.023 1.00 3.22 C ATOM 273 CG MET A 18 -0.776 10.657 3.015 1.00 70.23 C ATOM 274 SD MET A 18 -1.119 11.281 1.355 1.00 4.30 S ATOM 275 CE MET A 18 0.482 11.960 0.915 1.00 33.23 C ATOM 0 H MET A 18 -0.144 13.384 5.870 1.00 55.50 H new ATOM 0 HA MET A 18 -0.518 10.572 5.845 1.00 40.11 H new ATOM 0 HB2 MET A 18 -1.439 12.307 4.215 1.00 3.22 H new ATOM 0 HB3 MET A 18 0.176 12.501 3.562 1.00 3.22 H new ATOM 0 HG2 MET A 18 0.086 9.990 2.978 1.00 70.23 H new ATOM 0 HG3 MET A 18 -1.623 10.064 3.359 1.00 70.23 H new ATOM 0 HE1 MET A 18 0.714 11.705 -0.119 1.00 33.23 H new ATOM 0 HE2 MET A 18 0.460 13.044 1.025 1.00 33.23 H new ATOM 0 HE3 MET A 18 1.246 11.544 1.571 1.00 33.23 H new ATOM 285 N GLU A 19 2.493 11.652 5.007 1.00 13.52 N ATOM 286 CA GLU A 19 3.901 11.305 4.730 1.00 41.01 C ATOM 287 C GLU A 19 4.508 10.695 5.973 1.00 20.25 C ATOM 288 O GLU A 19 5.140 9.652 5.889 1.00 2.24 O ATOM 289 CB GLU A 19 4.705 12.567 4.333 1.00 2.42 C ATOM 290 CG GLU A 19 6.208 12.345 4.039 1.00 51.34 C ATOM 291 CD GLU A 19 7.090 13.591 4.262 1.00 40.44 C ATOM 292 OE1 GLU A 19 6.565 14.698 4.568 1.00 4.52 O ATOM 293 OE2 GLU A 19 8.332 13.456 4.150 1.00 14.53 O ATOM 0 H GLU A 19 2.334 12.657 5.081 1.00 13.52 H new ATOM 0 HA GLU A 19 3.937 10.595 3.903 1.00 41.01 H new ATOM 0 HB2 GLU A 19 4.242 13.006 3.449 1.00 2.42 H new ATOM 0 HB3 GLU A 19 4.616 13.299 5.136 1.00 2.42 H new ATOM 0 HG2 GLU A 19 6.574 11.537 4.672 1.00 51.34 H new ATOM 0 HG3 GLU A 19 6.319 12.016 3.006 1.00 51.34 H new ATOM 300 N GLU A 20 4.299 11.352 7.135 1.00 1.31 N ATOM 301 CA GLU A 20 4.753 10.803 8.425 1.00 53.44 C ATOM 302 C GLU A 20 4.109 9.435 8.721 1.00 10.44 C ATOM 303 O GLU A 20 4.751 8.555 9.313 1.00 2.32 O ATOM 304 CB GLU A 20 4.467 11.797 9.569 1.00 1.41 C ATOM 305 CG GLU A 20 5.387 13.027 9.578 1.00 72.02 C ATOM 306 CD GLU A 20 6.858 12.657 9.830 1.00 24.11 C ATOM 307 OE1 GLU A 20 7.258 12.540 11.012 1.00 74.23 O ATOM 308 OE2 GLU A 20 7.621 12.476 8.862 1.00 30.35 O ATOM 0 H GLU A 20 3.824 12.252 7.203 1.00 1.31 H new ATOM 0 HA GLU A 20 5.830 10.650 8.356 1.00 53.44 H new ATOM 0 HB2 GLU A 20 3.432 12.132 9.495 1.00 1.41 H new ATOM 0 HB3 GLU A 20 4.566 11.276 10.521 1.00 1.41 H new ATOM 0 HG2 GLU A 20 5.304 13.546 8.623 1.00 72.02 H new ATOM 0 HG3 GLU A 20 5.053 13.722 10.349 1.00 72.02 H new ATOM 315 N LYS A 21 2.855 9.275 8.285 1.00 41.22 N ATOM 316 CA LYS A 21 2.102 8.022 8.433 1.00 74.52 C ATOM 317 C LYS A 21 2.709 6.910 7.549 1.00 60.34 C ATOM 318 O LYS A 21 2.826 5.769 7.995 1.00 60.20 O ATOM 319 CB LYS A 21 0.616 8.277 8.087 1.00 23.14 C ATOM 320 CG LYS A 21 -0.331 7.069 8.249 1.00 44.42 C ATOM 321 CD LYS A 21 -0.406 6.517 9.689 1.00 31.35 C ATOM 322 CE LYS A 21 -1.473 5.415 9.840 1.00 34.12 C ATOM 323 NZ LYS A 21 -1.584 4.939 11.248 1.00 14.42 N ATOM 0 H LYS A 21 2.330 10.014 7.817 1.00 41.22 H new ATOM 0 HA LYS A 21 2.166 7.679 9.466 1.00 74.52 H new ATOM 0 HB2 LYS A 21 0.250 9.088 8.717 1.00 23.14 H new ATOM 0 HB3 LYS A 21 0.558 8.624 7.055 1.00 23.14 H new ATOM 0 HG2 LYS A 21 -1.332 7.360 7.930 1.00 44.42 H new ATOM 0 HG3 LYS A 21 -0.003 6.272 7.582 1.00 44.42 H new ATOM 0 HD2 LYS A 21 0.568 6.118 9.974 1.00 31.35 H new ATOM 0 HD3 LYS A 21 -0.630 7.332 10.377 1.00 31.35 H new ATOM 0 HE2 LYS A 21 -2.439 5.797 9.508 1.00 34.12 H new ATOM 0 HE3 LYS A 21 -1.222 4.576 9.192 1.00 34.12 H new ATOM 0 HZ1 LYS A 21 -2.312 4.199 11.308 1.00 14.42 H new ATOM 0 HZ2 LYS A 21 -0.670 4.551 11.557 1.00 14.42 H new ATOM 0 HZ3 LYS A 21 -1.848 5.735 11.864 1.00 14.42 H new ATOM 337 N LEU A 22 3.104 7.265 6.303 1.00 13.33 N ATOM 338 CA LEU A 22 3.760 6.323 5.362 1.00 55.01 C ATOM 339 C LEU A 22 5.162 5.939 5.884 1.00 73.44 C ATOM 340 O LEU A 22 5.546 4.762 5.853 1.00 42.22 O ATOM 341 CB LEU A 22 3.827 6.955 3.932 1.00 50.24 C ATOM 342 CG LEU A 22 4.030 5.968 2.717 1.00 63.21 C ATOM 343 CD1 LEU A 22 3.673 6.658 1.380 1.00 34.24 C ATOM 344 CD2 LEU A 22 5.464 5.381 2.655 1.00 55.42 C ATOM 0 H LEU A 22 2.979 8.203 5.924 1.00 13.33 H new ATOM 0 HA LEU A 22 3.171 5.408 5.295 1.00 55.01 H new ATOM 0 HB2 LEU A 22 2.905 7.512 3.765 1.00 50.24 H new ATOM 0 HB3 LEU A 22 4.642 7.678 3.920 1.00 50.24 H new ATOM 0 HG LEU A 22 3.349 5.133 2.880 1.00 63.21 H new ATOM 0 HD11 LEU A 22 3.821 5.957 0.558 1.00 34.24 H new ATOM 0 HD12 LEU A 22 2.631 6.977 1.402 1.00 34.24 H new ATOM 0 HD13 LEU A 22 4.315 7.527 1.236 1.00 34.24 H new ATOM 0 HD21 LEU A 22 5.546 4.710 1.800 1.00 55.42 H new ATOM 0 HD22 LEU A 22 6.185 6.192 2.550 1.00 55.42 H new ATOM 0 HD23 LEU A 22 5.671 4.828 3.571 1.00 55.42 H new ATOM 356 N ARG A 23 5.904 6.950 6.358 1.00 43.11 N ATOM 357 CA ARG A 23 7.261 6.785 6.901 1.00 2.22 C ATOM 358 C ARG A 23 7.233 5.835 8.112 1.00 64.13 C ATOM 359 O ARG A 23 8.042 4.914 8.184 1.00 60.01 O ATOM 360 CB ARG A 23 7.863 8.184 7.254 1.00 53.22 C ATOM 361 CG ARG A 23 8.269 9.022 6.007 1.00 44.11 C ATOM 362 CD ARG A 23 8.507 10.523 6.294 1.00 31.23 C ATOM 363 NE ARG A 23 9.632 10.791 7.216 1.00 32.41 N ATOM 364 CZ ARG A 23 10.479 11.843 7.129 1.00 65.31 C ATOM 365 NH1 ARG A 23 10.358 12.750 6.155 1.00 64.21 N ATOM 366 NH2 ARG A 23 11.415 12.003 8.055 1.00 5.53 N ATOM 0 H ARG A 23 5.576 7.916 6.376 1.00 43.11 H new ATOM 0 HA ARG A 23 7.909 6.331 6.151 1.00 2.22 H new ATOM 0 HB2 ARG A 23 7.134 8.747 7.838 1.00 53.22 H new ATOM 0 HB3 ARG A 23 8.739 8.044 7.888 1.00 53.22 H new ATOM 0 HG2 ARG A 23 9.178 8.598 5.580 1.00 44.11 H new ATOM 0 HG3 ARG A 23 7.488 8.929 5.252 1.00 44.11 H new ATOM 0 HD2 ARG A 23 8.694 11.037 5.351 1.00 31.23 H new ATOM 0 HD3 ARG A 23 7.597 10.950 6.715 1.00 31.23 H new ATOM 0 HE ARG A 23 9.781 10.130 7.978 1.00 32.41 H new ATOM 0 HH11 ARG A 23 9.617 12.656 5.460 1.00 64.21 H new ATOM 0 HH12 ARG A 23 11.006 13.536 6.107 1.00 64.21 H new ATOM 0 HH21 ARG A 23 11.491 11.337 8.823 1.00 5.53 H new ATOM 0 HH22 ARG A 23 12.058 12.792 7.999 1.00 5.53 H new ATOM 380 N ASP A 24 6.241 6.028 9.005 1.00 73.45 N ATOM 381 CA ASP A 24 6.044 5.173 10.204 1.00 62.13 C ATOM 382 C ASP A 24 5.624 3.735 9.804 1.00 73.54 C ATOM 383 O ASP A 24 6.163 2.752 10.331 1.00 30.24 O ATOM 384 CB ASP A 24 4.981 5.809 11.140 1.00 2.54 C ATOM 385 CG ASP A 24 4.718 4.984 12.416 1.00 51.22 C ATOM 386 OD1 ASP A 24 5.607 4.945 13.300 1.00 14.03 O ATOM 387 OD2 ASP A 24 3.642 4.357 12.532 1.00 52.44 O ATOM 0 H ASP A 24 5.554 6.777 8.920 1.00 73.45 H new ATOM 0 HA ASP A 24 6.993 5.106 10.737 1.00 62.13 H new ATOM 0 HB2 ASP A 24 5.309 6.809 11.424 1.00 2.54 H new ATOM 0 HB3 ASP A 24 4.046 5.924 10.591 1.00 2.54 H new ATOM 392 N PHE A 25 4.669 3.661 8.859 1.00 60.43 N ATOM 393 CA PHE A 25 4.137 2.402 8.277 1.00 63.14 C ATOM 394 C PHE A 25 5.270 1.498 7.773 1.00 0.14 C ATOM 395 O PHE A 25 5.369 0.334 8.167 1.00 22.42 O ATOM 396 CB PHE A 25 3.156 2.774 7.124 1.00 33.20 C ATOM 397 CG PHE A 25 2.656 1.644 6.194 1.00 52.41 C ATOM 398 CD1 PHE A 25 1.523 0.891 6.511 1.00 54.31 C ATOM 399 CD2 PHE A 25 3.291 1.387 4.970 1.00 12.25 C ATOM 400 CE1 PHE A 25 1.047 -0.076 5.641 1.00 55.13 C ATOM 401 CE2 PHE A 25 2.817 0.413 4.109 1.00 33.51 C ATOM 402 CZ PHE A 25 1.695 -0.314 4.442 1.00 1.40 C ATOM 0 H PHE A 25 4.231 4.493 8.465 1.00 60.43 H new ATOM 0 HA PHE A 25 3.607 1.838 9.044 1.00 63.14 H new ATOM 0 HB2 PHE A 25 2.282 3.248 7.571 1.00 33.20 H new ATOM 0 HB3 PHE A 25 3.643 3.525 6.502 1.00 33.20 H new ATOM 0 HD1 PHE A 25 1.012 1.065 7.446 1.00 54.31 H new ATOM 0 HD2 PHE A 25 4.165 1.959 4.695 1.00 12.25 H new ATOM 0 HE1 PHE A 25 0.167 -0.646 5.900 1.00 55.13 H new ATOM 0 HE2 PHE A 25 3.327 0.223 3.176 1.00 33.51 H new ATOM 0 HZ PHE A 25 1.321 -1.070 3.767 1.00 1.40 H new ATOM 412 N THR A 26 6.145 2.074 6.933 1.00 10.24 N ATOM 413 CA THR A 26 7.238 1.333 6.293 1.00 62.04 C ATOM 414 C THR A 26 8.412 1.114 7.282 1.00 33.13 C ATOM 415 O THR A 26 9.100 0.101 7.205 1.00 72.31 O ATOM 416 CB THR A 26 7.722 2.066 4.994 1.00 22.35 C ATOM 417 OG1 THR A 26 6.588 2.440 4.185 1.00 53.04 O ATOM 418 CG2 THR A 26 8.652 1.176 4.147 1.00 33.42 C ATOM 0 H THR A 26 6.113 3.062 6.681 1.00 10.24 H new ATOM 0 HA THR A 26 6.859 0.353 6.003 1.00 62.04 H new ATOM 0 HB THR A 26 8.275 2.950 5.312 1.00 22.35 H new ATOM 0 HG1 THR A 26 6.046 3.100 4.666 1.00 53.04 H new ATOM 0 HG21 THR A 26 8.965 1.721 3.256 1.00 33.42 H new ATOM 0 HG22 THR A 26 9.530 0.905 4.734 1.00 33.42 H new ATOM 0 HG23 THR A 26 8.120 0.272 3.851 1.00 33.42 H new ATOM 426 N ARG A 27 8.599 2.059 8.235 1.00 22.22 N ATOM 427 CA ARG A 27 9.657 1.967 9.285 1.00 5.33 C ATOM 428 C ARG A 27 9.396 0.802 10.271 1.00 40.21 C ATOM 429 O ARG A 27 10.326 0.323 10.937 1.00 53.31 O ATOM 430 CB ARG A 27 9.773 3.317 10.047 1.00 22.33 C ATOM 431 CG ARG A 27 10.881 3.396 11.126 1.00 14.15 C ATOM 432 CD ARG A 27 10.901 4.756 11.854 1.00 4.21 C ATOM 433 NE ARG A 27 9.598 5.077 12.489 1.00 53.21 N ATOM 434 CZ ARG A 27 9.419 5.909 13.540 1.00 71.42 C ATOM 435 NH1 ARG A 27 10.456 6.511 14.118 1.00 0.43 N ATOM 436 NH2 ARG A 27 8.191 6.124 13.996 1.00 42.44 N ATOM 0 H ARG A 27 8.029 2.902 8.302 1.00 22.22 H new ATOM 0 HA ARG A 27 10.603 1.758 8.785 1.00 5.33 H new ATOM 0 HB2 ARG A 27 9.946 4.109 9.318 1.00 22.33 H new ATOM 0 HB3 ARG A 27 8.815 3.526 10.523 1.00 22.33 H new ATOM 0 HG2 ARG A 27 10.731 2.600 11.855 1.00 14.15 H new ATOM 0 HG3 ARG A 27 11.851 3.223 10.660 1.00 14.15 H new ATOM 0 HD2 ARG A 27 11.681 4.746 12.616 1.00 4.21 H new ATOM 0 HD3 ARG A 27 11.159 5.541 11.144 1.00 4.21 H new ATOM 0 HE ARG A 27 8.767 4.632 12.099 1.00 53.21 H new ATOM 0 HH11 ARG A 27 11.400 6.347 13.769 1.00 0.43 H new ATOM 0 HH12 ARG A 27 10.306 7.136 14.910 1.00 0.43 H new ATOM 0 HH21 ARG A 27 7.395 5.664 13.554 1.00 42.44 H new ATOM 0 HH22 ARG A 27 8.043 6.749 14.788 1.00 42.44 H new ATOM 450 N ALA A 28 8.134 0.334 10.326 1.00 72.24 N ATOM 451 CA ALA A 28 7.734 -0.811 11.168 1.00 21.25 C ATOM 452 C ALA A 28 8.483 -2.113 10.776 1.00 4.42 C ATOM 453 O ALA A 28 8.594 -3.034 11.595 1.00 31.01 O ATOM 454 CB ALA A 28 6.210 -1.026 11.062 1.00 41.14 C ATOM 0 H ALA A 28 7.365 0.737 9.790 1.00 72.24 H new ATOM 0 HA ALA A 28 8.005 -0.577 12.198 1.00 21.25 H new ATOM 0 HB1 ALA A 28 5.918 -1.872 11.684 1.00 41.14 H new ATOM 0 HB2 ALA A 28 5.692 -0.129 11.401 1.00 41.14 H new ATOM 0 HB3 ALA A 28 5.942 -1.229 10.025 1.00 41.14 H new ATOM 460 N TYR A 29 8.987 -2.173 9.518 1.00 23.44 N ATOM 461 CA TYR A 29 9.578 -3.394 8.929 1.00 75.44 C ATOM 462 C TYR A 29 10.401 -3.067 7.655 1.00 75.23 C ATOM 463 O TYR A 29 10.865 -1.940 7.476 1.00 64.30 O ATOM 464 CB TYR A 29 8.416 -4.400 8.617 1.00 22.15 C ATOM 465 CG TYR A 29 7.128 -3.756 8.040 1.00 30.20 C ATOM 466 CD1 TYR A 29 7.174 -2.887 6.945 1.00 35.23 C ATOM 467 CD2 TYR A 29 5.878 -3.993 8.619 1.00 11.22 C ATOM 468 CE1 TYR A 29 6.042 -2.289 6.460 1.00 40.53 C ATOM 469 CE2 TYR A 29 4.738 -3.397 8.124 1.00 54.03 C ATOM 470 CZ TYR A 29 4.829 -2.545 7.046 1.00 42.23 C ATOM 471 OH TYR A 29 3.701 -1.932 6.559 1.00 15.33 O ATOM 0 H TYR A 29 8.994 -1.373 8.885 1.00 23.44 H new ATOM 0 HA TYR A 29 10.273 -3.844 9.638 1.00 75.44 H new ATOM 0 HB2 TYR A 29 8.780 -5.144 7.909 1.00 22.15 H new ATOM 0 HB3 TYR A 29 8.159 -4.931 9.534 1.00 22.15 H new ATOM 0 HD1 TYR A 29 8.123 -2.683 6.472 1.00 35.23 H new ATOM 0 HD2 TYR A 29 5.804 -4.655 9.469 1.00 11.22 H new ATOM 0 HE1 TYR A 29 6.104 -1.617 5.617 1.00 40.53 H new ATOM 0 HE2 TYR A 29 3.779 -3.597 8.579 1.00 54.03 H new ATOM 0 HH TYR A 29 3.944 -1.342 5.815 1.00 15.33 H new ATOM 481 N GLU A 30 10.598 -4.100 6.807 1.00 53.35 N ATOM 482 CA GLU A 30 11.146 -3.967 5.443 1.00 62.33 C ATOM 483 C GLU A 30 10.685 -5.197 4.598 1.00 25.35 C ATOM 484 O GLU A 30 10.260 -6.210 5.184 1.00 21.51 O ATOM 485 CB GLU A 30 12.700 -3.779 5.491 1.00 44.10 C ATOM 486 CG GLU A 30 13.484 -4.825 6.303 1.00 72.44 C ATOM 487 CD GLU A 30 14.999 -4.546 6.318 1.00 43.24 C ATOM 488 OE1 GLU A 30 15.448 -3.651 7.073 1.00 51.44 O ATOM 489 OE2 GLU A 30 15.748 -5.210 5.564 1.00 75.30 O ATOM 0 H GLU A 30 10.377 -5.064 7.057 1.00 53.35 H new ATOM 0 HA GLU A 30 10.761 -3.072 4.954 1.00 62.33 H new ATOM 0 HB2 GLU A 30 13.078 -3.785 4.469 1.00 44.10 H new ATOM 0 HB3 GLU A 30 12.914 -2.793 5.904 1.00 44.10 H new ATOM 0 HG2 GLU A 30 13.110 -4.840 7.327 1.00 72.44 H new ATOM 0 HG3 GLU A 30 13.304 -5.815 5.884 1.00 72.44 H new ATOM 496 N PRO A 31 10.738 -5.151 3.207 1.00 32.03 N ATOM 497 CA PRO A 31 10.145 -6.225 2.354 1.00 20.12 C ATOM 498 C PRO A 31 10.868 -7.583 2.514 1.00 32.53 C ATOM 499 O PRO A 31 10.280 -8.644 2.266 1.00 32.21 O ATOM 500 CB PRO A 31 10.288 -5.661 0.911 1.00 53.32 C ATOM 501 CG PRO A 31 11.452 -4.723 0.984 1.00 30.50 C ATOM 502 CD PRO A 31 11.390 -4.097 2.366 1.00 71.21 C ATOM 0 HA PRO A 31 9.113 -6.444 2.627 1.00 20.12 H new ATOM 0 HB2 PRO A 31 10.467 -6.459 0.190 1.00 53.32 H new ATOM 0 HB3 PRO A 31 9.382 -5.144 0.596 1.00 53.32 H new ATOM 0 HG2 PRO A 31 12.392 -5.254 0.837 1.00 30.50 H new ATOM 0 HG3 PRO A 31 11.391 -3.962 0.206 1.00 30.50 H new ATOM 0 HD2 PRO A 31 12.384 -3.847 2.737 1.00 71.21 H new ATOM 0 HD3 PRO A 31 10.810 -3.174 2.361 1.00 71.21 H new ATOM 510 N ASP A 32 12.132 -7.512 2.958 1.00 32.52 N ATOM 511 CA ASP A 32 12.989 -8.678 3.196 1.00 61.04 C ATOM 512 C ASP A 32 12.557 -9.442 4.462 1.00 32.11 C ATOM 513 O ASP A 32 12.318 -10.653 4.416 1.00 3.14 O ATOM 514 CB ASP A 32 14.458 -8.190 3.319 1.00 12.42 C ATOM 515 CG ASP A 32 15.474 -9.313 3.583 1.00 41.34 C ATOM 516 OD1 ASP A 32 15.749 -10.103 2.656 1.00 2.32 O ATOM 517 OD2 ASP A 32 16.007 -9.403 4.713 1.00 40.40 O ATOM 0 H ASP A 32 12.593 -6.626 3.165 1.00 32.52 H new ATOM 0 HA ASP A 32 12.897 -9.372 2.360 1.00 61.04 H new ATOM 0 HB2 ASP A 32 14.735 -7.673 2.401 1.00 12.42 H new ATOM 0 HB3 ASP A 32 14.521 -7.461 4.127 1.00 12.42 H new ATOM 522 N SER A 33 12.418 -8.694 5.571 1.00 31.43 N ATOM 523 CA SER A 33 12.256 -9.249 6.932 1.00 41.13 C ATOM 524 C SER A 33 10.916 -9.995 7.139 1.00 51.30 C ATOM 525 O SER A 33 10.876 -11.050 7.782 1.00 45.52 O ATOM 526 CB SER A 33 12.393 -8.101 7.951 1.00 13.22 C ATOM 527 OG SER A 33 11.406 -7.097 7.745 1.00 22.24 O ATOM 0 H SER A 33 12.415 -7.674 5.550 1.00 31.43 H new ATOM 0 HA SER A 33 13.037 -9.995 7.079 1.00 41.13 H new ATOM 0 HB2 SER A 33 12.303 -8.498 8.962 1.00 13.22 H new ATOM 0 HB3 SER A 33 13.386 -7.658 7.870 1.00 13.22 H new ATOM 0 HG SER A 33 11.126 -7.102 6.806 1.00 22.24 H new ATOM 533 N VAL A 34 9.831 -9.425 6.596 1.00 73.32 N ATOM 534 CA VAL A 34 8.449 -9.938 6.776 1.00 53.31 C ATOM 535 C VAL A 34 8.170 -11.166 5.864 1.00 14.34 C ATOM 536 O VAL A 34 7.181 -11.884 6.063 1.00 22.21 O ATOM 537 CB VAL A 34 7.425 -8.763 6.530 1.00 41.44 C ATOM 538 CG1 VAL A 34 5.942 -9.177 6.695 1.00 41.12 C ATOM 539 CG2 VAL A 34 7.754 -7.581 7.459 1.00 5.01 C ATOM 0 H VAL A 34 9.879 -8.589 6.014 1.00 73.32 H new ATOM 0 HA VAL A 34 8.328 -10.294 7.799 1.00 53.31 H new ATOM 0 HB VAL A 34 7.539 -8.469 5.487 1.00 41.44 H new ATOM 0 HG11 VAL A 34 5.301 -8.315 6.510 1.00 41.12 H new ATOM 0 HG12 VAL A 34 5.703 -9.967 5.982 1.00 41.12 H new ATOM 0 HG13 VAL A 34 5.777 -9.541 7.709 1.00 41.12 H new ATOM 0 HG21 VAL A 34 7.044 -6.773 7.285 1.00 5.01 H new ATOM 0 HG22 VAL A 34 7.687 -7.905 8.498 1.00 5.01 H new ATOM 0 HG23 VAL A 34 8.764 -7.227 7.254 1.00 5.01 H new ATOM 549 N LEU A 35 9.073 -11.393 4.875 1.00 0.14 N ATOM 550 CA LEU A 35 9.131 -12.630 4.039 1.00 30.41 C ATOM 551 C LEU A 35 7.948 -12.758 3.042 1.00 74.40 C ATOM 552 O LEU A 35 6.915 -12.095 3.198 1.00 35.54 O ATOM 553 CB LEU A 35 9.197 -13.926 4.924 1.00 14.43 C ATOM 554 CG LEU A 35 10.324 -13.998 6.001 1.00 74.22 C ATOM 555 CD1 LEU A 35 10.236 -15.309 6.820 1.00 21.02 C ATOM 556 CD2 LEU A 35 11.719 -13.813 5.364 1.00 51.44 C ATOM 0 H LEU A 35 9.794 -10.714 4.629 1.00 0.14 H new ATOM 0 HA LEU A 35 10.048 -12.534 3.458 1.00 30.41 H new ATOM 0 HB2 LEU A 35 8.238 -14.038 5.430 1.00 14.43 H new ATOM 0 HB3 LEU A 35 9.309 -14.783 4.260 1.00 14.43 H new ATOM 0 HG LEU A 35 10.174 -13.172 6.697 1.00 74.22 H new ATOM 0 HD11 LEU A 35 11.034 -15.329 7.562 1.00 21.02 H new ATOM 0 HD12 LEU A 35 9.271 -15.359 7.324 1.00 21.02 H new ATOM 0 HD13 LEU A 35 10.341 -16.163 6.151 1.00 21.02 H new ATOM 0 HD21 LEU A 35 12.483 -13.868 6.139 1.00 51.44 H new ATOM 0 HD22 LEU A 35 11.891 -14.599 4.629 1.00 51.44 H new ATOM 0 HD23 LEU A 35 11.769 -12.841 4.874 1.00 51.44 H new ATOM 568 N PRO A 36 8.099 -13.617 1.969 1.00 71.42 N ATOM 569 CA PRO A 36 6.943 -14.159 1.201 1.00 23.13 C ATOM 570 C PRO A 36 5.955 -14.922 2.127 1.00 22.22 C ATOM 571 O PRO A 36 6.383 -15.601 3.071 1.00 22.11 O ATOM 572 CB PRO A 36 7.621 -15.132 0.178 1.00 65.11 C ATOM 573 CG PRO A 36 9.001 -15.373 0.717 1.00 74.22 C ATOM 574 CD PRO A 36 9.392 -14.073 1.370 1.00 74.50 C ATOM 0 HA PRO A 36 6.347 -13.381 0.725 1.00 23.13 H new ATOM 0 HB2 PRO A 36 7.063 -16.065 0.093 1.00 65.11 H new ATOM 0 HB3 PRO A 36 7.659 -14.691 -0.818 1.00 65.11 H new ATOM 0 HG2 PRO A 36 9.008 -16.194 1.434 1.00 74.22 H new ATOM 0 HG3 PRO A 36 9.696 -15.640 -0.079 1.00 74.22 H new ATOM 0 HD2 PRO A 36 10.164 -14.214 2.127 1.00 74.50 H new ATOM 0 HD3 PRO A 36 9.781 -13.356 0.647 1.00 74.50 H new ATOM 582 N LEU A 37 4.639 -14.812 1.854 1.00 12.23 N ATOM 583 CA LEU A 37 3.587 -15.505 2.642 1.00 61.31 C ATOM 584 C LEU A 37 3.213 -16.828 1.950 1.00 32.40 C ATOM 585 O LEU A 37 2.023 -17.126 1.750 1.00 43.31 O ATOM 586 CB LEU A 37 2.327 -14.599 2.825 1.00 43.51 C ATOM 587 CG LEU A 37 2.513 -13.319 3.697 1.00 62.41 C ATOM 588 CD1 LEU A 37 3.255 -12.191 2.942 1.00 24.23 C ATOM 589 CD2 LEU A 37 1.165 -12.828 4.257 1.00 42.03 C ATOM 0 H LEU A 37 4.273 -14.246 1.088 1.00 12.23 H new ATOM 0 HA LEU A 37 3.980 -15.720 3.636 1.00 61.31 H new ATOM 0 HB2 LEU A 37 1.981 -14.292 1.838 1.00 43.51 H new ATOM 0 HB3 LEU A 37 1.534 -15.202 3.268 1.00 43.51 H new ATOM 0 HG LEU A 37 3.147 -13.599 4.538 1.00 62.41 H new ATOM 0 HD11 LEU A 37 3.358 -11.323 3.594 1.00 24.23 H new ATOM 0 HD12 LEU A 37 4.244 -12.541 2.645 1.00 24.23 H new ATOM 0 HD13 LEU A 37 2.687 -11.912 2.054 1.00 24.23 H new ATOM 0 HD21 LEU A 37 1.325 -11.935 4.861 1.00 42.03 H new ATOM 0 HD22 LEU A 37 0.492 -12.593 3.432 1.00 42.03 H new ATOM 0 HD23 LEU A 37 0.722 -13.609 4.875 1.00 42.03 H new ATOM 601 N ALA A 38 4.263 -17.609 1.602 1.00 70.30 N ATOM 602 CA ALA A 38 4.163 -18.797 0.733 1.00 25.20 C ATOM 603 C ALA A 38 3.657 -18.409 -0.676 1.00 2.42 C ATOM 604 O ALA A 38 3.447 -17.214 -0.966 1.00 12.23 O ATOM 605 CB ALA A 38 3.289 -19.904 1.374 1.00 43.42 C ATOM 0 H ALA A 38 5.214 -17.426 1.923 1.00 70.30 H new ATOM 0 HA ALA A 38 5.165 -19.212 0.621 1.00 25.20 H new ATOM 0 HB1 ALA A 38 3.240 -20.762 0.704 1.00 43.42 H new ATOM 0 HB2 ALA A 38 3.728 -20.210 2.324 1.00 43.42 H new ATOM 0 HB3 ALA A 38 2.284 -19.520 1.546 1.00 43.42 H new ATOM 611 N ASP A 39 3.521 -19.423 -1.555 1.00 20.34 N ATOM 612 CA ASP A 39 2.916 -19.270 -2.901 1.00 5.31 C ATOM 613 C ASP A 39 3.748 -18.293 -3.787 1.00 21.11 C ATOM 614 O ASP A 39 4.859 -17.887 -3.411 1.00 30.54 O ATOM 615 CB ASP A 39 1.427 -18.824 -2.741 1.00 31.54 C ATOM 616 CG ASP A 39 0.566 -19.065 -3.985 1.00 3.33 C ATOM 617 OD1 ASP A 39 0.222 -20.234 -4.259 1.00 2.21 O ATOM 618 OD2 ASP A 39 0.269 -18.099 -4.714 1.00 4.20 O ATOM 0 H ASP A 39 3.827 -20.375 -1.354 1.00 20.34 H new ATOM 0 HA ASP A 39 2.930 -20.227 -3.423 1.00 5.31 H new ATOM 0 HB2 ASP A 39 0.987 -19.358 -1.899 1.00 31.54 H new ATOM 0 HB3 ASP A 39 1.401 -17.763 -2.494 1.00 31.54 H new ATOM 623 N GLY A 40 3.238 -17.958 -4.978 1.00 12.02 N ATOM 624 CA GLY A 40 3.867 -16.969 -5.844 1.00 13.31 C ATOM 625 C GLY A 40 3.224 -15.602 -5.712 1.00 52.11 C ATOM 626 O GLY A 40 3.932 -14.585 -5.646 1.00 24.52 O ATOM 0 H GLY A 40 2.384 -18.364 -5.361 1.00 12.02 H new ATOM 0 HA2 GLY A 40 4.927 -16.896 -5.599 1.00 13.31 H new ATOM 0 HA3 GLY A 40 3.801 -17.301 -6.880 1.00 13.31 H new ATOM 630 N VAL A 41 1.876 -15.572 -5.649 1.00 2.32 N ATOM 631 CA VAL A 41 1.122 -14.307 -5.714 1.00 4.02 C ATOM 632 C VAL A 41 1.187 -13.547 -4.374 1.00 42.04 C ATOM 633 O VAL A 41 1.299 -12.335 -4.379 1.00 41.45 O ATOM 634 CB VAL A 41 -0.372 -14.509 -6.193 1.00 53.03 C ATOM 635 CG1 VAL A 41 -1.272 -15.160 -5.121 1.00 33.35 C ATOM 636 CG2 VAL A 41 -0.976 -13.178 -6.733 1.00 31.10 C ATOM 0 H VAL A 41 1.293 -16.404 -5.554 1.00 2.32 H new ATOM 0 HA VAL A 41 1.608 -13.694 -6.473 1.00 4.02 H new ATOM 0 HB VAL A 41 -0.339 -15.220 -7.019 1.00 53.03 H new ATOM 0 HG11 VAL A 41 -2.283 -15.270 -5.513 1.00 33.35 H new ATOM 0 HG12 VAL A 41 -0.875 -16.141 -4.860 1.00 33.35 H new ATOM 0 HG13 VAL A 41 -1.294 -14.529 -4.232 1.00 33.35 H new ATOM 0 HG21 VAL A 41 -2.003 -13.349 -7.055 1.00 31.10 H new ATOM 0 HG22 VAL A 41 -0.963 -12.426 -5.944 1.00 31.10 H new ATOM 0 HG23 VAL A 41 -0.385 -12.827 -7.579 1.00 31.10 H new ATOM 646 N LEU A 42 1.161 -14.271 -3.225 1.00 1.41 N ATOM 647 CA LEU A 42 1.236 -13.633 -1.877 1.00 64.14 C ATOM 648 C LEU A 42 2.608 -12.952 -1.657 1.00 41.03 C ATOM 649 O LEU A 42 2.698 -11.889 -1.020 1.00 51.41 O ATOM 650 CB LEU A 42 0.938 -14.651 -0.724 1.00 25.23 C ATOM 651 CG LEU A 42 -0.554 -15.131 -0.546 1.00 23.41 C ATOM 652 CD1 LEU A 42 -1.544 -13.938 -0.519 1.00 5.23 C ATOM 653 CD2 LEU A 42 -0.959 -16.185 -1.599 1.00 45.13 C ATOM 0 H LEU A 42 1.089 -15.288 -3.201 1.00 1.41 H new ATOM 0 HA LEU A 42 0.460 -12.868 -1.847 1.00 64.14 H new ATOM 0 HB2 LEU A 42 1.558 -15.533 -0.885 1.00 25.23 H new ATOM 0 HB3 LEU A 42 1.261 -14.201 0.215 1.00 25.23 H new ATOM 0 HG LEU A 42 -0.610 -15.620 0.426 1.00 23.41 H new ATOM 0 HD11 LEU A 42 -2.560 -14.311 -0.395 1.00 5.23 H new ATOM 0 HD12 LEU A 42 -1.296 -13.278 0.312 1.00 5.23 H new ATOM 0 HD13 LEU A 42 -1.473 -13.385 -1.455 1.00 5.23 H new ATOM 0 HD21 LEU A 42 -1.994 -16.484 -1.435 1.00 45.13 H new ATOM 0 HD22 LEU A 42 -0.858 -15.759 -2.597 1.00 45.13 H new ATOM 0 HD23 LEU A 42 -0.311 -17.057 -1.509 1.00 45.13 H new ATOM 665 N SER A 43 3.660 -13.601 -2.184 1.00 64.53 N ATOM 666 CA SER A 43 5.036 -13.061 -2.223 1.00 31.54 C ATOM 667 C SER A 43 5.075 -11.724 -2.996 1.00 73.30 C ATOM 668 O SER A 43 5.559 -10.687 -2.478 1.00 71.25 O ATOM 669 CB SER A 43 5.972 -14.095 -2.898 1.00 1.24 C ATOM 670 OG SER A 43 7.321 -13.658 -2.911 1.00 3.44 O ATOM 0 H SER A 43 3.581 -14.528 -2.601 1.00 64.53 H new ATOM 0 HA SER A 43 5.374 -12.874 -1.204 1.00 31.54 H new ATOM 0 HB2 SER A 43 5.904 -15.046 -2.370 1.00 1.24 H new ATOM 0 HB3 SER A 43 5.638 -14.274 -3.920 1.00 1.24 H new ATOM 0 HG SER A 43 7.881 -14.337 -3.343 1.00 3.44 H new ATOM 676 N PHE A 44 4.517 -11.785 -4.223 1.00 55.32 N ATOM 677 CA PHE A 44 4.405 -10.644 -5.147 1.00 63.31 C ATOM 678 C PHE A 44 3.677 -9.472 -4.481 1.00 74.34 C ATOM 679 O PHE A 44 4.148 -8.343 -4.540 1.00 21.22 O ATOM 680 CB PHE A 44 3.644 -11.098 -6.422 1.00 42.33 C ATOM 681 CG PHE A 44 3.542 -10.055 -7.549 1.00 2.24 C ATOM 682 CD1 PHE A 44 2.576 -9.032 -7.523 1.00 41.52 C ATOM 683 CD2 PHE A 44 4.396 -10.117 -8.651 1.00 31.11 C ATOM 684 CE1 PHE A 44 2.481 -8.119 -8.556 1.00 35.22 C ATOM 685 CE2 PHE A 44 4.289 -9.207 -9.684 1.00 64.35 C ATOM 686 CZ PHE A 44 3.333 -8.211 -9.637 1.00 40.21 C ATOM 0 H PHE A 44 4.125 -12.646 -4.604 1.00 55.32 H new ATOM 0 HA PHE A 44 5.405 -10.304 -5.418 1.00 63.31 H new ATOM 0 HB2 PHE A 44 4.136 -11.986 -6.818 1.00 42.33 H new ATOM 0 HB3 PHE A 44 2.635 -11.394 -6.134 1.00 42.33 H new ATOM 0 HD1 PHE A 44 1.900 -8.959 -6.684 1.00 41.52 H new ATOM 0 HD2 PHE A 44 5.151 -10.888 -8.697 1.00 31.11 H new ATOM 0 HE1 PHE A 44 1.740 -7.334 -8.517 1.00 35.22 H new ATOM 0 HE2 PHE A 44 4.955 -9.274 -10.532 1.00 64.35 H new ATOM 0 HZ PHE A 44 3.252 -7.503 -10.448 1.00 40.21 H new ATOM 696 N ILE A 45 2.535 -9.779 -3.849 1.00 14.52 N ATOM 697 CA ILE A 45 1.622 -8.785 -3.269 1.00 33.02 C ATOM 698 C ILE A 45 2.260 -8.094 -2.050 1.00 61.12 C ATOM 699 O ILE A 45 2.162 -6.884 -1.932 1.00 53.42 O ATOM 700 CB ILE A 45 0.246 -9.451 -2.897 1.00 70.35 C ATOM 701 CG1 ILE A 45 -0.514 -9.919 -4.187 1.00 73.35 C ATOM 702 CG2 ILE A 45 -0.642 -8.497 -2.072 1.00 35.34 C ATOM 703 CD1 ILE A 45 -1.703 -10.826 -3.928 1.00 44.14 C ATOM 0 H ILE A 45 2.215 -10.740 -3.725 1.00 14.52 H new ATOM 0 HA ILE A 45 1.431 -8.016 -4.017 1.00 33.02 H new ATOM 0 HB ILE A 45 0.464 -10.324 -2.282 1.00 70.35 H new ATOM 0 HG12 ILE A 45 -0.857 -9.038 -4.730 1.00 73.35 H new ATOM 0 HG13 ILE A 45 0.189 -10.440 -4.837 1.00 73.35 H new ATOM 0 HG21 ILE A 45 -1.584 -8.991 -1.834 1.00 35.34 H new ATOM 0 HG22 ILE A 45 -0.129 -8.230 -1.148 1.00 35.34 H new ATOM 0 HG23 ILE A 45 -0.842 -7.595 -2.650 1.00 35.34 H new ATOM 0 HD11 ILE A 45 -2.166 -11.099 -4.876 1.00 44.14 H new ATOM 0 HD12 ILE A 45 -1.368 -11.728 -3.415 1.00 44.14 H new ATOM 0 HD13 ILE A 45 -2.430 -10.304 -3.306 1.00 44.14 H new ATOM 715 N HIS A 46 2.898 -8.871 -1.151 1.00 33.44 N ATOM 716 CA HIS A 46 3.694 -8.309 -0.026 1.00 0.32 C ATOM 717 C HIS A 46 4.743 -7.296 -0.551 1.00 53.42 C ATOM 718 O HIS A 46 4.786 -6.109 -0.122 1.00 0.22 O ATOM 719 CB HIS A 46 4.386 -9.458 0.758 1.00 12.05 C ATOM 720 CG HIS A 46 5.484 -9.011 1.701 1.00 42.54 C ATOM 721 ND1 HIS A 46 5.298 -8.055 2.670 1.00 43.23 N ATOM 722 CD2 HIS A 46 6.795 -9.352 1.764 1.00 41.30 C ATOM 723 CE1 HIS A 46 6.433 -7.827 3.283 1.00 2.42 C ATOM 724 NE2 HIS A 46 7.362 -8.602 2.757 1.00 52.54 N ATOM 0 H HIS A 46 2.881 -9.891 -1.177 1.00 33.44 H new ATOM 0 HA HIS A 46 3.022 -7.779 0.649 1.00 0.32 H new ATOM 0 HB2 HIS A 46 3.630 -9.995 1.331 1.00 12.05 H new ATOM 0 HB3 HIS A 46 4.806 -10.166 0.043 1.00 12.05 H new ATOM 0 HD2 HIS A 46 7.298 -10.080 1.145 1.00 41.30 H new ATOM 0 HE1 HIS A 46 6.583 -7.121 4.086 1.00 2.42 H new ATOM 0 HE2 HIS A 46 8.340 -8.636 3.043 1.00 52.54 H new ATOM 733 N HIS A 47 5.567 -7.783 -1.503 1.00 1.23 N ATOM 734 CA HIS A 47 6.616 -6.983 -2.156 1.00 54.03 C ATOM 735 C HIS A 47 5.994 -5.721 -2.770 1.00 14.14 C ATOM 736 O HIS A 47 6.506 -4.628 -2.557 1.00 33.23 O ATOM 737 CB HIS A 47 7.321 -7.852 -3.231 1.00 33.53 C ATOM 738 CG HIS A 47 8.423 -7.194 -4.046 1.00 42.31 C ATOM 739 ND1 HIS A 47 9.035 -7.841 -5.092 1.00 4.24 N ATOM 740 CD2 HIS A 47 8.988 -5.957 -4.005 1.00 3.32 C ATOM 741 CE1 HIS A 47 9.927 -7.045 -5.640 1.00 40.21 C ATOM 742 NE2 HIS A 47 9.915 -5.890 -5.014 1.00 44.34 N ATOM 0 H HIS A 47 5.520 -8.745 -1.839 1.00 1.23 H new ATOM 0 HA HIS A 47 7.362 -6.667 -1.427 1.00 54.03 H new ATOM 0 HB2 HIS A 47 7.744 -8.725 -2.735 1.00 33.53 H new ATOM 0 HB3 HIS A 47 6.561 -8.215 -3.923 1.00 33.53 H new ATOM 0 HD2 HIS A 47 8.750 -5.170 -3.305 1.00 3.32 H new ATOM 0 HE1 HIS A 47 10.567 -7.300 -6.472 1.00 40.21 H new ATOM 0 HE2 HIS A 47 10.495 -5.082 -5.240 1.00 44.34 H new ATOM 751 N GLN A 48 4.855 -5.904 -3.449 1.00 62.40 N ATOM 752 CA GLN A 48 4.185 -4.849 -4.222 1.00 34.03 C ATOM 753 C GLN A 48 3.609 -3.785 -3.282 1.00 74.31 C ATOM 754 O GLN A 48 3.656 -2.616 -3.581 1.00 45.15 O ATOM 755 CB GLN A 48 3.070 -5.481 -5.106 1.00 14.44 C ATOM 756 CG GLN A 48 2.525 -4.561 -6.224 1.00 74.15 C ATOM 757 CD GLN A 48 3.563 -4.151 -7.284 1.00 75.41 C ATOM 758 OE1 GLN A 48 3.503 -3.048 -7.825 1.00 2.10 O ATOM 759 NE2 GLN A 48 4.488 -5.048 -7.623 1.00 4.00 N ATOM 0 H GLN A 48 4.366 -6.799 -3.478 1.00 62.40 H new ATOM 0 HA GLN A 48 4.910 -4.360 -4.873 1.00 34.03 H new ATOM 0 HB2 GLN A 48 3.460 -6.391 -5.562 1.00 14.44 H new ATOM 0 HB3 GLN A 48 2.241 -5.777 -4.463 1.00 14.44 H new ATOM 0 HG2 GLN A 48 1.698 -5.068 -6.722 1.00 74.15 H new ATOM 0 HG3 GLN A 48 2.117 -3.659 -5.767 1.00 74.15 H new ATOM 0 HE21 GLN A 48 4.514 -5.955 -7.157 1.00 4.00 H new ATOM 0 HE22 GLN A 48 5.170 -4.828 -8.348 1.00 4.00 H new ATOM 768 N ILE A 49 3.090 -4.214 -2.121 1.00 22.20 N ATOM 769 CA ILE A 49 2.546 -3.278 -1.112 1.00 64.14 C ATOM 770 C ILE A 49 3.666 -2.380 -0.558 1.00 52.33 C ATOM 771 O ILE A 49 3.511 -1.141 -0.507 1.00 54.14 O ATOM 772 CB ILE A 49 1.787 -4.047 0.063 1.00 31.52 C ATOM 773 CG1 ILE A 49 0.440 -4.654 -0.451 1.00 44.44 C ATOM 774 CG2 ILE A 49 1.547 -3.174 1.326 1.00 43.44 C ATOM 775 CD1 ILE A 49 -0.285 -5.589 0.530 1.00 35.23 C ATOM 0 H ILE A 49 3.033 -5.197 -1.854 1.00 22.20 H new ATOM 0 HA ILE A 49 1.808 -2.646 -1.605 1.00 64.14 H new ATOM 0 HB ILE A 49 2.451 -4.854 0.373 1.00 31.52 H new ATOM 0 HG12 ILE A 49 -0.232 -3.835 -0.708 1.00 44.44 H new ATOM 0 HG13 ILE A 49 0.638 -5.205 -1.371 1.00 44.44 H new ATOM 0 HG21 ILE A 49 1.027 -3.763 2.082 1.00 43.44 H new ATOM 0 HG22 ILE A 49 2.505 -2.838 1.723 1.00 43.44 H new ATOM 0 HG23 ILE A 49 0.941 -2.308 1.060 1.00 43.44 H new ATOM 0 HD11 ILE A 49 -1.205 -5.953 0.073 1.00 35.23 H new ATOM 0 HD12 ILE A 49 0.359 -6.435 0.770 1.00 35.23 H new ATOM 0 HD13 ILE A 49 -0.524 -5.044 1.443 1.00 35.23 H new ATOM 787 N ILE A 50 4.802 -2.993 -0.186 1.00 74.42 N ATOM 788 CA ILE A 50 5.962 -2.215 0.297 1.00 72.41 C ATOM 789 C ILE A 50 6.514 -1.306 -0.833 1.00 3.04 C ATOM 790 O ILE A 50 6.900 -0.161 -0.593 1.00 43.31 O ATOM 791 CB ILE A 50 7.114 -3.145 0.843 1.00 33.03 C ATOM 792 CG1 ILE A 50 6.580 -4.152 1.914 1.00 11.22 C ATOM 793 CG2 ILE A 50 8.285 -2.305 1.399 1.00 4.43 C ATOM 794 CD1 ILE A 50 5.932 -3.528 3.140 1.00 74.52 C ATOM 0 H ILE A 50 4.944 -4.003 -0.208 1.00 74.42 H new ATOM 0 HA ILE A 50 5.611 -1.597 1.124 1.00 72.41 H new ATOM 0 HB ILE A 50 7.490 -3.732 0.005 1.00 33.03 H new ATOM 0 HG12 ILE A 50 5.854 -4.810 1.437 1.00 11.22 H new ATOM 0 HG13 ILE A 50 7.409 -4.778 2.243 1.00 11.22 H new ATOM 0 HG21 ILE A 50 9.066 -2.969 1.769 1.00 4.43 H new ATOM 0 HG22 ILE A 50 8.690 -1.676 0.606 1.00 4.43 H new ATOM 0 HG23 ILE A 50 7.927 -1.676 2.214 1.00 4.43 H new ATOM 0 HD11 ILE A 50 5.598 -4.315 3.816 1.00 74.52 H new ATOM 0 HD12 ILE A 50 6.656 -2.894 3.651 1.00 74.52 H new ATOM 0 HD13 ILE A 50 5.076 -2.927 2.833 1.00 74.52 H new ATOM 806 N GLU A 51 6.488 -1.836 -2.063 1.00 22.32 N ATOM 807 CA GLU A 51 7.056 -1.195 -3.265 1.00 34.33 C ATOM 808 C GLU A 51 6.179 -0.015 -3.730 1.00 53.42 C ATOM 809 O GLU A 51 6.693 0.947 -4.306 1.00 13.53 O ATOM 810 CB GLU A 51 7.214 -2.291 -4.357 1.00 40.44 C ATOM 811 CG GLU A 51 7.833 -1.876 -5.699 1.00 54.12 C ATOM 812 CD GLU A 51 8.163 -3.102 -6.585 1.00 1.33 C ATOM 813 OE1 GLU A 51 7.234 -3.690 -7.182 1.00 23.33 O ATOM 814 OE2 GLU A 51 9.354 -3.503 -6.650 1.00 14.33 O ATOM 0 H GLU A 51 6.063 -2.742 -2.258 1.00 22.32 H new ATOM 0 HA GLU A 51 8.034 -0.766 -3.048 1.00 34.33 H new ATOM 0 HB2 GLU A 51 7.822 -3.094 -3.941 1.00 40.44 H new ATOM 0 HB3 GLU A 51 6.228 -2.710 -4.558 1.00 40.44 H new ATOM 0 HG2 GLU A 51 7.143 -1.220 -6.230 1.00 54.12 H new ATOM 0 HG3 GLU A 51 8.743 -1.303 -5.518 1.00 54.12 H new ATOM 821 N LEU A 52 4.868 -0.091 -3.434 1.00 61.35 N ATOM 822 CA LEU A 52 3.897 0.985 -3.724 1.00 2.43 C ATOM 823 C LEU A 52 3.927 2.046 -2.617 1.00 33.23 C ATOM 824 O LEU A 52 3.596 3.199 -2.873 1.00 54.43 O ATOM 825 CB LEU A 52 2.468 0.402 -3.896 1.00 64.34 C ATOM 826 CG LEU A 52 2.237 -0.464 -5.181 1.00 22.12 C ATOM 827 CD1 LEU A 52 0.870 -1.182 -5.130 1.00 11.02 C ATOM 828 CD2 LEU A 52 2.398 0.381 -6.466 1.00 43.23 C ATOM 0 H LEU A 52 4.449 -0.905 -2.984 1.00 61.35 H new ATOM 0 HA LEU A 52 4.180 1.463 -4.662 1.00 2.43 H new ATOM 0 HB2 LEU A 52 2.237 -0.208 -3.023 1.00 64.34 H new ATOM 0 HB3 LEU A 52 1.757 1.228 -3.905 1.00 64.34 H new ATOM 0 HG LEU A 52 3.007 -1.235 -5.208 1.00 22.12 H new ATOM 0 HD11 LEU A 52 0.737 -1.775 -6.035 1.00 11.02 H new ATOM 0 HD12 LEU A 52 0.835 -1.836 -4.259 1.00 11.02 H new ATOM 0 HD13 LEU A 52 0.073 -0.442 -5.061 1.00 11.02 H new ATOM 0 HD21 LEU A 52 2.231 -0.250 -7.339 1.00 43.23 H new ATOM 0 HD22 LEU A 52 1.671 1.193 -6.461 1.00 43.23 H new ATOM 0 HD23 LEU A 52 3.405 0.796 -6.505 1.00 43.23 H new ATOM 840 N ALA A 53 4.291 1.637 -1.381 1.00 4.44 N ATOM 841 CA ALA A 53 4.595 2.588 -0.288 1.00 44.25 C ATOM 842 C ALA A 53 5.856 3.420 -0.626 1.00 10.10 C ATOM 843 O ALA A 53 5.852 4.652 -0.515 1.00 2.34 O ATOM 844 CB ALA A 53 4.762 1.833 1.045 1.00 34.13 C ATOM 0 H ALA A 53 4.381 0.656 -1.116 1.00 4.44 H new ATOM 0 HA ALA A 53 3.760 3.280 -0.181 1.00 44.25 H new ATOM 0 HB1 ALA A 53 4.985 2.544 1.840 1.00 34.13 H new ATOM 0 HB2 ALA A 53 3.839 1.303 1.281 1.00 34.13 H new ATOM 0 HB3 ALA A 53 5.580 1.118 0.958 1.00 34.13 H new ATOM 850 N ARG A 54 6.909 2.723 -1.080 1.00 23.11 N ATOM 851 CA ARG A 54 8.173 3.346 -1.521 1.00 42.54 C ATOM 852 C ARG A 54 7.920 4.283 -2.722 1.00 50.33 C ATOM 853 O ARG A 54 8.376 5.445 -2.738 1.00 72.55 O ATOM 854 CB ARG A 54 9.208 2.245 -1.896 1.00 4.14 C ATOM 855 CG ARG A 54 9.722 1.357 -0.722 1.00 34.51 C ATOM 856 CD ARG A 54 10.797 2.023 0.173 1.00 70.03 C ATOM 857 NE ARG A 54 10.298 3.204 0.911 1.00 3.12 N ATOM 858 CZ ARG A 54 10.637 3.540 2.173 1.00 24.40 C ATOM 859 NH1 ARG A 54 11.486 2.811 2.884 1.00 4.33 N ATOM 860 NH2 ARG A 54 10.100 4.614 2.725 1.00 41.22 N ATOM 0 H ARG A 54 6.911 1.706 -1.153 1.00 23.11 H new ATOM 0 HA ARG A 54 8.577 3.940 -0.702 1.00 42.54 H new ATOM 0 HB2 ARG A 54 8.760 1.595 -2.647 1.00 4.14 H new ATOM 0 HB3 ARG A 54 10.067 2.727 -2.363 1.00 4.14 H new ATOM 0 HG2 ARG A 54 8.873 1.076 -0.098 1.00 34.51 H new ATOM 0 HG3 ARG A 54 10.133 0.436 -1.135 1.00 34.51 H new ATOM 0 HD2 ARG A 54 11.170 1.289 0.887 1.00 70.03 H new ATOM 0 HD3 ARG A 54 11.642 2.322 -0.448 1.00 70.03 H new ATOM 0 HE ARG A 54 9.642 3.816 0.425 1.00 3.12 H new ATOM 0 HH11 ARG A 54 11.901 1.972 2.479 1.00 4.33 H new ATOM 0 HH12 ARG A 54 11.724 3.089 3.836 1.00 4.33 H new ATOM 0 HH21 ARG A 54 9.436 5.180 2.198 1.00 41.22 H new ATOM 0 HH22 ARG A 54 10.350 4.876 3.678 1.00 41.22 H new ATOM 874 N ASP A 55 7.152 3.759 -3.701 1.00 74.03 N ATOM 875 CA ASP A 55 6.760 4.486 -4.919 1.00 62.21 C ATOM 876 C ASP A 55 5.968 5.751 -4.556 1.00 3.23 C ATOM 877 O ASP A 55 6.289 6.828 -5.025 1.00 24.13 O ATOM 878 CB ASP A 55 5.937 3.550 -5.851 1.00 53.21 C ATOM 879 CG ASP A 55 5.651 4.134 -7.246 1.00 74.22 C ATOM 880 OD1 ASP A 55 6.598 4.617 -7.908 1.00 13.35 O ATOM 881 OD2 ASP A 55 4.492 4.073 -7.709 1.00 23.12 O ATOM 0 H ASP A 55 6.785 2.808 -3.664 1.00 74.03 H new ATOM 0 HA ASP A 55 7.656 4.799 -5.455 1.00 62.21 H new ATOM 0 HB2 ASP A 55 6.475 2.609 -5.968 1.00 53.21 H new ATOM 0 HB3 ASP A 55 4.989 3.317 -5.366 1.00 53.21 H new ATOM 886 N CYS A 56 4.994 5.608 -3.638 1.00 34.42 N ATOM 887 CA CYS A 56 4.136 6.726 -3.184 1.00 32.52 C ATOM 888 C CYS A 56 4.939 7.787 -2.409 1.00 3.33 C ATOM 889 O CYS A 56 4.643 8.982 -2.515 1.00 35.25 O ATOM 890 CB CYS A 56 2.973 6.198 -2.319 1.00 23.41 C ATOM 891 SG CYS A 56 1.810 7.465 -1.762 1.00 2.01 S ATOM 0 H CYS A 56 4.778 4.718 -3.189 1.00 34.42 H new ATOM 0 HA CYS A 56 3.728 7.206 -4.074 1.00 32.52 H new ATOM 0 HB2 CYS A 56 2.426 5.447 -2.889 1.00 23.41 H new ATOM 0 HB3 CYS A 56 3.387 5.695 -1.445 1.00 23.41 H new ATOM 0 HG CYS A 56 1.019 7.789 -2.742 1.00 2.01 H new ATOM 897 N LEU A 57 5.965 7.350 -1.645 1.00 0.13 N ATOM 898 CA LEU A 57 6.808 8.277 -0.859 1.00 20.23 C ATOM 899 C LEU A 57 7.765 9.078 -1.771 1.00 20.10 C ATOM 900 O LEU A 57 8.071 10.246 -1.489 1.00 32.32 O ATOM 901 CB LEU A 57 7.595 7.525 0.250 1.00 12.11 C ATOM 902 CG LEU A 57 8.197 8.434 1.378 1.00 64.52 C ATOM 903 CD1 LEU A 57 7.096 9.293 2.057 1.00 60.04 C ATOM 904 CD2 LEU A 57 8.965 7.599 2.421 1.00 33.43 C ATOM 0 H LEU A 57 6.228 6.368 -1.557 1.00 0.13 H new ATOM 0 HA LEU A 57 6.142 8.988 -0.370 1.00 20.23 H new ATOM 0 HB2 LEU A 57 6.931 6.793 0.711 1.00 12.11 H new ATOM 0 HB3 LEU A 57 8.407 6.968 -0.218 1.00 12.11 H new ATOM 0 HG LEU A 57 8.907 9.113 0.906 1.00 64.52 H new ATOM 0 HD11 LEU A 57 7.545 9.912 2.834 1.00 60.04 H new ATOM 0 HD12 LEU A 57 6.622 9.933 1.312 1.00 60.04 H new ATOM 0 HD13 LEU A 57 6.347 8.638 2.502 1.00 60.04 H new ATOM 0 HD21 LEU A 57 9.370 8.259 3.189 1.00 33.43 H new ATOM 0 HD22 LEU A 57 8.288 6.879 2.881 1.00 33.43 H new ATOM 0 HD23 LEU A 57 9.782 7.068 1.932 1.00 33.43 H new ATOM 916 N THR A 58 8.232 8.448 -2.865 1.00 14.11 N ATOM 917 CA THR A 58 9.045 9.147 -3.886 1.00 21.05 C ATOM 918 C THR A 58 8.158 10.043 -4.782 1.00 61.01 C ATOM 919 O THR A 58 8.597 11.111 -5.232 1.00 22.14 O ATOM 920 CB THR A 58 9.880 8.139 -4.746 1.00 0.20 C ATOM 921 OG1 THR A 58 9.017 7.178 -5.374 1.00 72.12 O ATOM 922 CG2 THR A 58 10.930 7.406 -3.886 1.00 2.53 C ATOM 0 H THR A 58 8.063 7.462 -3.067 1.00 14.11 H new ATOM 0 HA THR A 58 9.751 9.790 -3.360 1.00 21.05 H new ATOM 0 HB THR A 58 10.400 8.713 -5.513 1.00 0.20 H new ATOM 0 HG1 THR A 58 8.098 7.309 -5.060 1.00 72.12 H new ATOM 0 HG21 THR A 58 11.493 6.713 -4.511 1.00 2.53 H new ATOM 0 HG22 THR A 58 11.612 8.134 -3.445 1.00 2.53 H new ATOM 0 HG23 THR A 58 10.428 6.852 -3.093 1.00 2.53 H new ATOM 930 N LYS A 59 6.889 9.622 -4.995 1.00 21.35 N ATOM 931 CA LYS A 59 5.892 10.419 -5.738 1.00 41.51 C ATOM 932 C LYS A 59 5.362 11.573 -4.860 1.00 22.03 C ATOM 933 O LYS A 59 4.857 12.560 -5.379 1.00 34.10 O ATOM 934 CB LYS A 59 4.730 9.537 -6.290 1.00 4.41 C ATOM 935 CG LYS A 59 5.162 8.462 -7.327 1.00 44.13 C ATOM 936 CD LYS A 59 5.876 9.021 -8.584 1.00 63.41 C ATOM 937 CE LYS A 59 4.957 9.850 -9.498 1.00 72.21 C ATOM 938 NZ LYS A 59 5.678 10.327 -10.713 1.00 44.24 N ATOM 0 H LYS A 59 6.532 8.727 -4.659 1.00 21.35 H new ATOM 0 HA LYS A 59 6.391 10.851 -6.605 1.00 41.51 H new ATOM 0 HB2 LYS A 59 4.242 9.038 -5.453 1.00 4.41 H new ATOM 0 HB3 LYS A 59 3.986 10.187 -6.751 1.00 4.41 H new ATOM 0 HG2 LYS A 59 5.825 7.750 -6.836 1.00 44.13 H new ATOM 0 HG3 LYS A 59 4.279 7.908 -7.644 1.00 44.13 H new ATOM 0 HD2 LYS A 59 6.716 9.641 -8.269 1.00 63.41 H new ATOM 0 HD3 LYS A 59 6.290 8.190 -9.156 1.00 63.41 H new ATOM 0 HE2 LYS A 59 4.099 9.247 -9.796 1.00 72.21 H new ATOM 0 HE3 LYS A 59 4.569 10.705 -8.945 1.00 72.21 H new ATOM 0 HZ1 LYS A 59 5.029 10.882 -11.306 1.00 44.24 H new ATOM 0 HZ2 LYS A 59 6.482 10.923 -10.428 1.00 44.24 H new ATOM 0 HZ3 LYS A 59 6.027 9.510 -11.253 1.00 44.24 H new ATOM 952 N SER A 60 5.481 11.440 -3.524 1.00 22.32 N ATOM 953 CA SER A 60 5.214 12.551 -2.580 1.00 34.15 C ATOM 954 C SER A 60 6.198 13.723 -2.833 1.00 13.44 C ATOM 955 O SER A 60 5.840 14.892 -2.649 1.00 75.14 O ATOM 956 CB SER A 60 5.300 12.040 -1.114 1.00 75.43 C ATOM 957 OG SER A 60 4.983 13.051 -0.159 1.00 1.54 O ATOM 0 H SER A 60 5.762 10.571 -3.070 1.00 22.32 H new ATOM 0 HA SER A 60 4.204 12.926 -2.746 1.00 34.15 H new ATOM 0 HB2 SER A 60 4.619 11.199 -0.986 1.00 75.43 H new ATOM 0 HB3 SER A 60 6.306 11.667 -0.922 1.00 75.43 H new ATOM 0 HG SER A 60 5.050 12.679 0.745 1.00 1.54 H new ATOM 963 N ARG A 61 7.429 13.390 -3.296 1.00 52.24 N ATOM 964 CA ARG A 61 8.458 14.389 -3.665 1.00 24.33 C ATOM 965 C ARG A 61 8.518 14.629 -5.186 1.00 62.21 C ATOM 966 O ARG A 61 9.381 15.373 -5.659 1.00 4.00 O ATOM 967 CB ARG A 61 9.846 13.984 -3.093 1.00 32.33 C ATOM 968 CG ARG A 61 9.943 14.144 -1.558 1.00 42.40 C ATOM 969 CD ARG A 61 11.379 14.037 -1.015 1.00 53.32 C ATOM 970 NE ARG A 61 11.446 14.544 0.371 1.00 23.31 N ATOM 971 CZ ARG A 61 12.291 15.484 0.827 1.00 24.20 C ATOM 972 NH1 ARG A 61 13.191 16.051 0.023 1.00 31.52 N ATOM 973 NH2 ARG A 61 12.193 15.889 2.085 1.00 61.25 N ATOM 0 H ARG A 61 7.733 12.425 -3.423 1.00 52.24 H new ATOM 0 HA ARG A 61 8.170 15.339 -3.214 1.00 24.33 H new ATOM 0 HB2 ARG A 61 10.052 12.947 -3.357 1.00 32.33 H new ATOM 0 HB3 ARG A 61 10.618 14.592 -3.565 1.00 32.33 H new ATOM 0 HG2 ARG A 61 9.528 15.112 -1.275 1.00 42.40 H new ATOM 0 HG3 ARG A 61 9.326 13.382 -1.082 1.00 42.40 H new ATOM 0 HD2 ARG A 61 11.709 12.999 -1.045 1.00 53.32 H new ATOM 0 HD3 ARG A 61 12.058 14.606 -1.650 1.00 53.32 H new ATOM 0 HE ARG A 61 10.791 14.144 1.043 1.00 23.31 H new ATOM 0 HH11 ARG A 61 13.247 15.773 -0.957 1.00 31.52 H new ATOM 0 HH12 ARG A 61 13.824 16.763 0.388 1.00 31.52 H new ATOM 0 HH21 ARG A 61 11.482 15.488 2.696 1.00 61.25 H new ATOM 0 HH22 ARG A 61 12.829 16.602 2.442 1.00 61.25 H new ATOM 987 N ASP A 62 7.590 14.009 -5.941 1.00 20.31 N ATOM 988 CA ASP A 62 7.307 14.385 -7.350 1.00 63.20 C ATOM 989 C ASP A 62 6.780 15.841 -7.403 1.00 43.05 C ATOM 990 O ASP A 62 6.972 16.548 -8.400 1.00 43.12 O ATOM 991 CB ASP A 62 6.295 13.369 -7.955 1.00 43.25 C ATOM 992 CG ASP A 62 5.830 13.643 -9.389 1.00 61.55 C ATOM 993 OD1 ASP A 62 6.665 13.641 -10.311 1.00 54.01 O ATOM 994 OD2 ASP A 62 4.613 13.811 -9.600 1.00 13.32 O ATOM 0 H ASP A 62 7.016 13.238 -5.599 1.00 20.31 H new ATOM 0 HA ASP A 62 8.217 14.346 -7.948 1.00 63.20 H new ATOM 0 HB2 ASP A 62 6.747 12.378 -7.926 1.00 43.25 H new ATOM 0 HB3 ASP A 62 5.416 13.337 -7.311 1.00 43.25 H new ATOM 999 N GLY A 63 6.112 16.265 -6.295 1.00 70.05 N ATOM 1000 CA GLY A 63 5.667 17.660 -6.100 1.00 13.30 C ATOM 1001 C GLY A 63 4.565 18.111 -7.054 1.00 70.43 C ATOM 1002 O GLY A 63 4.215 19.288 -7.102 1.00 11.52 O ATOM 0 H GLY A 63 5.871 15.647 -5.520 1.00 70.05 H new ATOM 0 HA2 GLY A 63 5.313 17.775 -5.076 1.00 13.30 H new ATOM 0 HA3 GLY A 63 6.525 18.322 -6.217 1.00 13.30 H new ATOM 1006 N LEU A 64 4.045 17.155 -7.816 1.00 50.34 N ATOM 1007 CA LEU A 64 3.060 17.352 -8.867 1.00 64.14 C ATOM 1008 C LEU A 64 1.864 16.501 -8.441 1.00 32.44 C ATOM 1009 O LEU A 64 0.788 17.030 -8.144 1.00 22.34 O ATOM 1010 CB LEU A 64 3.724 16.868 -10.200 1.00 11.10 C ATOM 1011 CG LEU A 64 2.981 16.958 -11.590 1.00 12.05 C ATOM 1012 CD1 LEU A 64 3.949 16.479 -12.706 1.00 64.44 C ATOM 1013 CD2 LEU A 64 1.659 16.142 -11.655 1.00 22.43 C ATOM 0 H LEU A 64 4.313 16.177 -7.711 1.00 50.34 H new ATOM 0 HA LEU A 64 2.732 18.380 -9.021 1.00 64.14 H new ATOM 0 HB2 LEU A 64 4.656 17.424 -10.306 1.00 11.10 H new ATOM 0 HB3 LEU A 64 3.992 15.821 -10.055 1.00 11.10 H new ATOM 0 HG LEU A 64 2.696 18.001 -11.731 1.00 12.05 H new ATOM 0 HD11 LEU A 64 3.447 16.536 -13.672 1.00 64.44 H new ATOM 0 HD12 LEU A 64 4.834 17.116 -12.718 1.00 64.44 H new ATOM 0 HD13 LEU A 64 4.246 15.448 -12.512 1.00 64.44 H new ATOM 0 HD21 LEU A 64 1.210 16.255 -12.641 1.00 22.43 H new ATOM 0 HD22 LEU A 64 1.872 15.089 -11.472 1.00 22.43 H new ATOM 0 HD23 LEU A 64 0.967 16.509 -10.897 1.00 22.43 H new ATOM 1025 N ILE A 65 2.136 15.174 -8.368 1.00 54.35 N ATOM 1026 CA ILE A 65 1.167 14.108 -8.079 1.00 70.25 C ATOM 1027 C ILE A 65 -0.087 14.211 -8.961 1.00 72.21 C ATOM 1028 O ILE A 65 -0.974 15.055 -8.722 1.00 62.24 O ATOM 1029 CB ILE A 65 0.750 14.001 -6.557 1.00 61.42 C ATOM 1030 CG1 ILE A 65 2.001 13.779 -5.649 1.00 5.23 C ATOM 1031 CG2 ILE A 65 -0.273 12.846 -6.359 1.00 72.33 C ATOM 1032 CD1 ILE A 65 1.698 13.567 -4.172 1.00 20.40 C ATOM 0 H ILE A 65 3.078 14.811 -8.516 1.00 54.35 H new ATOM 0 HA ILE A 65 1.700 13.189 -8.322 1.00 70.25 H new ATOM 0 HB ILE A 65 0.282 14.941 -6.265 1.00 61.42 H new ATOM 0 HG12 ILE A 65 2.550 12.913 -6.019 1.00 5.23 H new ATOM 0 HG13 ILE A 65 2.660 14.641 -5.749 1.00 5.23 H new ATOM 0 HG21 ILE A 65 -0.552 12.783 -5.307 1.00 72.33 H new ATOM 0 HG22 ILE A 65 -1.162 13.041 -6.959 1.00 72.33 H new ATOM 0 HG23 ILE A 65 0.177 11.904 -6.672 1.00 72.33 H new ATOM 0 HD11 ILE A 65 2.630 13.422 -3.626 1.00 20.40 H new ATOM 0 HD12 ILE A 65 1.179 14.441 -3.778 1.00 20.40 H new ATOM 0 HD13 ILE A 65 1.067 12.686 -4.053 1.00 20.40 H new ATOM 1044 N THR A 66 -0.133 13.374 -10.001 1.00 63.41 N ATOM 1045 CA THR A 66 -1.374 13.074 -10.696 1.00 63.01 C ATOM 1046 C THR A 66 -2.356 12.505 -9.649 1.00 14.13 C ATOM 1047 O THR A 66 -2.043 11.516 -8.990 1.00 50.42 O ATOM 1048 CB THR A 66 -1.137 12.045 -11.864 1.00 14.45 C ATOM 1049 OG1 THR A 66 -0.341 10.945 -11.395 1.00 62.41 O ATOM 1050 CG2 THR A 66 -0.440 12.683 -13.086 1.00 34.21 C ATOM 0 H THR A 66 0.684 12.893 -10.377 1.00 63.41 H new ATOM 0 HA THR A 66 -1.781 13.975 -11.154 1.00 63.01 H new ATOM 0 HB THR A 66 -2.120 11.699 -12.183 1.00 14.45 H new ATOM 0 HG1 THR A 66 -0.199 10.308 -12.127 1.00 62.41 H new ATOM 0 HG21 THR A 66 -0.302 11.929 -13.861 1.00 34.21 H new ATOM 0 HG22 THR A 66 -1.057 13.493 -13.475 1.00 34.21 H new ATOM 0 HG23 THR A 66 0.531 13.078 -12.786 1.00 34.21 H new ATOM 1058 N THR A 67 -3.486 13.200 -9.426 1.00 23.51 N ATOM 1059 CA THR A 67 -4.568 12.723 -8.533 1.00 34.03 C ATOM 1060 C THR A 67 -5.001 11.290 -8.951 1.00 11.42 C ATOM 1061 O THR A 67 -5.211 10.402 -8.110 1.00 43.52 O ATOM 1062 CB THR A 67 -5.773 13.718 -8.582 1.00 25.15 C ATOM 1063 OG1 THR A 67 -5.283 15.069 -8.506 1.00 31.25 O ATOM 1064 CG2 THR A 67 -6.778 13.484 -7.440 1.00 45.01 C ATOM 0 H THR A 67 -3.678 14.105 -9.856 1.00 23.51 H new ATOM 0 HA THR A 67 -4.205 12.682 -7.506 1.00 34.03 H new ATOM 0 HB THR A 67 -6.295 13.547 -9.523 1.00 25.15 H new ATOM 0 HG1 THR A 67 -6.038 15.693 -8.538 1.00 31.25 H new ATOM 0 HG21 THR A 67 -7.595 14.201 -7.521 1.00 45.01 H new ATOM 0 HG22 THR A 67 -7.176 12.472 -7.508 1.00 45.01 H new ATOM 0 HG23 THR A 67 -6.276 13.613 -6.481 1.00 45.01 H new ATOM 1072 N VAL A 68 -5.013 11.118 -10.283 1.00 35.32 N ATOM 1073 CA VAL A 68 -5.144 9.841 -11.011 1.00 40.11 C ATOM 1074 C VAL A 68 -4.270 8.689 -10.428 1.00 34.04 C ATOM 1075 O VAL A 68 -4.752 7.552 -10.323 1.00 13.24 O ATOM 1076 CB VAL A 68 -4.787 10.142 -12.528 1.00 65.10 C ATOM 1077 CG1 VAL A 68 -4.449 8.878 -13.341 1.00 20.22 C ATOM 1078 CG2 VAL A 68 -5.938 10.934 -13.192 1.00 1.02 C ATOM 0 H VAL A 68 -4.927 11.911 -10.919 1.00 35.32 H new ATOM 0 HA VAL A 68 -6.164 9.472 -10.908 1.00 40.11 H new ATOM 0 HB VAL A 68 -3.879 10.745 -12.526 1.00 65.10 H new ATOM 0 HG11 VAL A 68 -4.215 9.158 -14.368 1.00 20.22 H new ATOM 0 HG12 VAL A 68 -3.588 8.379 -12.896 1.00 20.22 H new ATOM 0 HG13 VAL A 68 -5.304 8.202 -13.335 1.00 20.22 H new ATOM 0 HG21 VAL A 68 -5.687 11.137 -14.233 1.00 1.02 H new ATOM 0 HG22 VAL A 68 -6.856 10.348 -13.148 1.00 1.02 H new ATOM 0 HG23 VAL A 68 -6.084 11.876 -12.663 1.00 1.02 H new ATOM 1088 N TYR A 69 -3.015 8.997 -10.030 1.00 23.11 N ATOM 1089 CA TYR A 69 -2.074 8.012 -9.431 1.00 21.43 C ATOM 1090 C TYR A 69 -2.667 7.297 -8.192 1.00 75.11 C ATOM 1091 O TYR A 69 -2.449 6.095 -8.006 1.00 1.53 O ATOM 1092 CB TYR A 69 -0.723 8.711 -9.072 1.00 43.24 C ATOM 1093 CG TYR A 69 0.250 7.887 -8.213 1.00 54.42 C ATOM 1094 CD1 TYR A 69 0.857 6.735 -8.716 1.00 30.43 C ATOM 1095 CD2 TYR A 69 0.544 8.254 -6.891 1.00 12.52 C ATOM 1096 CE1 TYR A 69 1.714 5.985 -7.940 1.00 33.21 C ATOM 1097 CE2 TYR A 69 1.404 7.511 -6.117 1.00 61.22 C ATOM 1098 CZ TYR A 69 1.981 6.375 -6.641 1.00 31.15 C ATOM 1099 OH TYR A 69 2.814 5.621 -5.856 1.00 33.35 O ATOM 0 H TYR A 69 -2.622 9.935 -10.113 1.00 23.11 H new ATOM 0 HA TYR A 69 -1.894 7.240 -10.179 1.00 21.43 H new ATOM 0 HB2 TYR A 69 -0.219 8.982 -9.999 1.00 43.24 H new ATOM 0 HB3 TYR A 69 -0.945 9.640 -8.546 1.00 43.24 H new ATOM 0 HD1 TYR A 69 0.652 6.426 -9.730 1.00 30.43 H new ATOM 0 HD2 TYR A 69 0.086 9.138 -6.473 1.00 12.52 H new ATOM 0 HE1 TYR A 69 2.175 5.096 -8.345 1.00 33.21 H new ATOM 0 HE2 TYR A 69 1.626 7.816 -5.105 1.00 61.22 H new ATOM 0 HH TYR A 69 3.355 5.033 -6.424 1.00 33.35 H new ATOM 1109 N PHE A 70 -3.419 8.038 -7.357 1.00 42.33 N ATOM 1110 CA PHE A 70 -4.042 7.481 -6.132 1.00 51.20 C ATOM 1111 C PHE A 70 -5.290 6.631 -6.439 1.00 51.34 C ATOM 1112 O PHE A 70 -5.646 5.748 -5.644 1.00 52.20 O ATOM 1113 CB PHE A 70 -4.349 8.605 -5.107 1.00 0.34 C ATOM 1114 CG PHE A 70 -3.099 9.082 -4.355 1.00 71.42 C ATOM 1115 CD1 PHE A 70 -2.407 8.196 -3.522 1.00 32.14 C ATOM 1116 CD2 PHE A 70 -2.612 10.384 -4.474 1.00 41.01 C ATOM 1117 CE1 PHE A 70 -1.275 8.596 -2.840 1.00 14.10 C ATOM 1118 CE2 PHE A 70 -1.474 10.780 -3.788 1.00 42.21 C ATOM 1119 CZ PHE A 70 -0.807 9.887 -2.969 1.00 1.35 C ATOM 0 H PHE A 70 -3.613 9.028 -7.506 1.00 42.33 H new ATOM 0 HA PHE A 70 -3.316 6.804 -5.681 1.00 51.20 H new ATOM 0 HB2 PHE A 70 -4.800 9.451 -5.626 1.00 0.34 H new ATOM 0 HB3 PHE A 70 -5.084 8.244 -4.388 1.00 0.34 H new ATOM 0 HD1 PHE A 70 -2.764 7.183 -3.411 1.00 32.14 H new ATOM 0 HD2 PHE A 70 -3.127 11.091 -5.107 1.00 41.01 H new ATOM 0 HE1 PHE A 70 -0.754 7.896 -2.204 1.00 14.10 H new ATOM 0 HE2 PHE A 70 -1.107 11.790 -3.894 1.00 42.21 H new ATOM 0 HZ PHE A 70 0.077 10.199 -2.433 1.00 1.35 H new ATOM 1129 N TYR A 71 -5.938 6.880 -7.591 1.00 20.32 N ATOM 1130 CA TYR A 71 -7.045 6.023 -8.081 1.00 2.51 C ATOM 1131 C TYR A 71 -6.471 4.696 -8.607 1.00 64.21 C ATOM 1132 O TYR A 71 -7.033 3.621 -8.350 1.00 51.31 O ATOM 1133 CB TYR A 71 -7.878 6.721 -9.182 1.00 11.14 C ATOM 1134 CG TYR A 71 -8.645 7.970 -8.711 1.00 41.04 C ATOM 1135 CD1 TYR A 71 -7.988 9.183 -8.570 1.00 22.12 C ATOM 1136 CD2 TYR A 71 -10.017 7.938 -8.417 1.00 21.41 C ATOM 1137 CE1 TYR A 71 -8.646 10.315 -8.158 1.00 21.24 C ATOM 1138 CE2 TYR A 71 -10.681 9.081 -8.004 1.00 25.13 C ATOM 1139 CZ TYR A 71 -9.988 10.265 -7.879 1.00 73.11 C ATOM 1140 OH TYR A 71 -10.637 11.402 -7.475 1.00 43.23 O ATOM 0 H TYR A 71 -5.718 7.666 -8.203 1.00 20.32 H new ATOM 0 HA TYR A 71 -7.717 5.830 -7.245 1.00 2.51 H new ATOM 0 HB2 TYR A 71 -7.213 7.005 -9.997 1.00 11.14 H new ATOM 0 HB3 TYR A 71 -8.592 6.004 -9.588 1.00 11.14 H new ATOM 0 HD1 TYR A 71 -6.932 9.238 -8.790 1.00 22.12 H new ATOM 0 HD2 TYR A 71 -10.562 7.010 -8.514 1.00 21.41 H new ATOM 0 HE1 TYR A 71 -8.107 11.245 -8.054 1.00 21.24 H new ATOM 0 HE2 TYR A 71 -11.737 9.044 -7.781 1.00 25.13 H new ATOM 0 HH TYR A 71 -11.583 11.200 -7.318 1.00 43.23 H new ATOM 1150 N GLU A 72 -5.330 4.789 -9.330 1.00 54.43 N ATOM 1151 CA GLU A 72 -4.550 3.599 -9.720 1.00 40.13 C ATOM 1152 C GLU A 72 -4.100 2.824 -8.477 1.00 44.12 C ATOM 1153 O GLU A 72 -4.209 1.609 -8.462 1.00 21.32 O ATOM 1154 CB GLU A 72 -3.300 3.944 -10.597 1.00 65.32 C ATOM 1155 CG GLU A 72 -3.534 3.912 -12.130 1.00 71.42 C ATOM 1156 CD GLU A 72 -4.011 5.240 -12.729 1.00 64.14 C ATOM 1157 OE1 GLU A 72 -5.221 5.552 -12.650 1.00 50.01 O ATOM 1158 OE2 GLU A 72 -3.170 5.962 -13.307 1.00 31.31 O ATOM 0 H GLU A 72 -4.934 5.672 -9.652 1.00 54.43 H new ATOM 0 HA GLU A 72 -5.214 2.984 -10.328 1.00 40.13 H new ATOM 0 HB2 GLU A 72 -2.947 4.938 -10.321 1.00 65.32 H new ATOM 0 HB3 GLU A 72 -2.502 3.243 -10.354 1.00 65.32 H new ATOM 0 HG2 GLU A 72 -2.605 3.620 -12.620 1.00 71.42 H new ATOM 0 HG3 GLU A 72 -4.270 3.141 -12.356 1.00 71.42 H new ATOM 1165 N LEU A 73 -3.615 3.550 -7.447 1.00 13.04 N ATOM 1166 CA LEU A 73 -3.090 2.937 -6.211 1.00 30.13 C ATOM 1167 C LEU A 73 -4.217 2.194 -5.471 1.00 5.41 C ATOM 1168 O LEU A 73 -4.012 1.080 -4.973 1.00 61.11 O ATOM 1169 CB LEU A 73 -2.394 4.005 -5.294 1.00 45.45 C ATOM 1170 CG LEU A 73 -0.993 3.596 -4.707 1.00 31.24 C ATOM 1171 CD1 LEU A 73 -1.074 2.333 -3.819 1.00 50.43 C ATOM 1172 CD2 LEU A 73 0.050 3.403 -5.839 1.00 22.31 C ATOM 0 H LEU A 73 -3.577 4.569 -7.449 1.00 13.04 H new ATOM 0 HA LEU A 73 -2.325 2.209 -6.481 1.00 30.13 H new ATOM 0 HB2 LEU A 73 -2.272 4.924 -5.867 1.00 45.45 H new ATOM 0 HB3 LEU A 73 -3.062 4.234 -4.463 1.00 45.45 H new ATOM 0 HG LEU A 73 -0.667 4.418 -4.070 1.00 31.24 H new ATOM 0 HD11 LEU A 73 -0.082 2.092 -3.438 1.00 50.43 H new ATOM 0 HD12 LEU A 73 -1.748 2.519 -2.983 1.00 50.43 H new ATOM 0 HD13 LEU A 73 -1.449 1.497 -4.409 1.00 50.43 H new ATOM 0 HD21 LEU A 73 1.009 3.121 -5.405 1.00 22.31 H new ATOM 0 HD22 LEU A 73 -0.288 2.618 -6.515 1.00 22.31 H new ATOM 0 HD23 LEU A 73 0.162 4.335 -6.393 1.00 22.31 H new ATOM 1184 N GLN A 74 -5.415 2.809 -5.462 1.00 4.02 N ATOM 1185 CA GLN A 74 -6.614 2.209 -4.852 1.00 54.33 C ATOM 1186 C GLN A 74 -6.940 0.880 -5.571 1.00 62.42 C ATOM 1187 O GLN A 74 -7.000 -0.180 -4.936 1.00 5.25 O ATOM 1188 CB GLN A 74 -7.832 3.191 -4.936 1.00 65.11 C ATOM 1189 CG GLN A 74 -8.885 3.078 -3.796 1.00 23.10 C ATOM 1190 CD GLN A 74 -9.420 1.665 -3.518 1.00 32.23 C ATOM 1191 OE1 GLN A 74 -8.906 0.943 -2.662 1.00 24.21 O ATOM 1192 NE2 GLN A 74 -10.424 1.248 -4.267 1.00 65.40 N ATOM 0 H GLN A 74 -5.577 3.728 -5.874 1.00 4.02 H new ATOM 0 HA GLN A 74 -6.417 2.012 -3.798 1.00 54.33 H new ATOM 0 HB2 GLN A 74 -7.449 4.211 -4.949 1.00 65.11 H new ATOM 0 HB3 GLN A 74 -8.338 3.028 -5.887 1.00 65.11 H new ATOM 0 HG2 GLN A 74 -8.442 3.466 -2.878 1.00 23.10 H new ATOM 0 HG3 GLN A 74 -9.728 3.724 -4.041 1.00 23.10 H new ATOM 0 HE21 GLN A 74 -10.829 1.868 -4.968 1.00 65.40 H new ATOM 0 HE22 GLN A 74 -10.794 0.305 -4.145 1.00 65.40 H new ATOM 1201 N GLU A 75 -7.100 0.960 -6.909 1.00 53.15 N ATOM 1202 CA GLU A 75 -7.516 -0.192 -7.731 1.00 32.13 C ATOM 1203 C GLU A 75 -6.451 -1.302 -7.765 1.00 54.42 C ATOM 1204 O GLU A 75 -6.805 -2.487 -7.810 1.00 22.22 O ATOM 1205 CB GLU A 75 -7.885 0.248 -9.170 1.00 62.33 C ATOM 1206 CG GLU A 75 -9.064 1.239 -9.252 1.00 60.10 C ATOM 1207 CD GLU A 75 -9.547 1.471 -10.697 1.00 62.31 C ATOM 1208 OE1 GLU A 75 -8.898 2.220 -11.442 1.00 42.52 O ATOM 1209 OE2 GLU A 75 -10.573 0.875 -11.102 1.00 15.44 O ATOM 0 H GLU A 75 -6.946 1.815 -7.443 1.00 53.15 H new ATOM 0 HA GLU A 75 -8.405 -0.607 -7.256 1.00 32.13 H new ATOM 0 HB2 GLU A 75 -7.010 0.705 -9.633 1.00 62.33 H new ATOM 0 HB3 GLU A 75 -8.130 -0.638 -9.756 1.00 62.33 H new ATOM 0 HG2 GLU A 75 -9.893 0.862 -8.653 1.00 60.10 H new ATOM 0 HG3 GLU A 75 -8.763 2.192 -8.816 1.00 60.10 H new ATOM 1216 N ASN A 76 -5.149 -0.929 -7.731 1.00 12.22 N ATOM 1217 CA ASN A 76 -4.064 -1.931 -7.786 1.00 65.13 C ATOM 1218 C ASN A 76 -3.952 -2.653 -6.447 1.00 24.44 C ATOM 1219 O ASN A 76 -3.753 -3.856 -6.430 1.00 55.11 O ATOM 1220 CB ASN A 76 -2.689 -1.374 -8.303 1.00 10.55 C ATOM 1221 CG ASN A 76 -1.992 -0.253 -7.509 1.00 14.24 C ATOM 1222 OD1 ASN A 76 -1.417 0.658 -8.104 1.00 14.12 O ATOM 1223 ND2 ASN A 76 -1.956 -0.323 -6.193 1.00 21.01 N ATOM 0 H ASN A 76 -4.831 0.038 -7.667 1.00 12.22 H new ATOM 0 HA ASN A 76 -4.343 -2.658 -8.548 1.00 65.13 H new ATOM 0 HB2 ASN A 76 -1.996 -2.213 -8.365 1.00 10.55 H new ATOM 0 HB3 ASN A 76 -2.842 -1.011 -9.319 1.00 10.55 H new ATOM 0 HD21 ASN A 76 -1.448 0.382 -5.658 1.00 21.01 H new ATOM 0 HD22 ASN A 76 -2.436 -1.082 -5.709 1.00 21.01 H new ATOM 1230 N LEU A 77 -4.134 -1.908 -5.325 1.00 43.40 N ATOM 1231 CA LEU A 77 -4.189 -2.513 -3.976 1.00 14.05 C ATOM 1232 C LEU A 77 -5.400 -3.442 -3.857 1.00 13.11 C ATOM 1233 O LEU A 77 -5.305 -4.506 -3.259 1.00 61.42 O ATOM 1234 CB LEU A 77 -4.259 -1.434 -2.858 1.00 4.04 C ATOM 1235 CG LEU A 77 -2.947 -0.661 -2.525 1.00 1.45 C ATOM 1236 CD1 LEU A 77 -3.220 0.393 -1.419 1.00 61.23 C ATOM 1237 CD2 LEU A 77 -1.805 -1.629 -2.116 1.00 13.52 C ATOM 0 H LEU A 77 -4.244 -0.894 -5.332 1.00 43.40 H new ATOM 0 HA LEU A 77 -3.270 -3.084 -3.843 1.00 14.05 H new ATOM 0 HB2 LEU A 77 -5.017 -0.704 -3.141 1.00 4.04 H new ATOM 0 HB3 LEU A 77 -4.607 -1.917 -1.945 1.00 4.04 H new ATOM 0 HG LEU A 77 -2.615 -0.142 -3.424 1.00 1.45 H new ATOM 0 HD11 LEU A 77 -2.298 0.929 -1.192 1.00 61.23 H new ATOM 0 HD12 LEU A 77 -3.974 1.099 -1.767 1.00 61.23 H new ATOM 0 HD13 LEU A 77 -3.580 -0.108 -0.520 1.00 61.23 H new ATOM 0 HD21 LEU A 77 -0.906 -1.056 -1.891 1.00 13.52 H new ATOM 0 HD22 LEU A 77 -2.106 -2.194 -1.234 1.00 13.52 H new ATOM 0 HD23 LEU A 77 -1.601 -2.318 -2.936 1.00 13.52 H new ATOM 1249 N GLU A 78 -6.533 -3.012 -4.434 1.00 71.33 N ATOM 1250 CA GLU A 78 -7.796 -3.749 -4.362 1.00 42.15 C ATOM 1251 C GLU A 78 -7.735 -5.018 -5.246 1.00 62.44 C ATOM 1252 O GLU A 78 -8.353 -6.033 -4.923 1.00 63.54 O ATOM 1253 CB GLU A 78 -8.973 -2.828 -4.773 1.00 35.45 C ATOM 1254 CG GLU A 78 -10.355 -3.338 -4.319 1.00 65.31 C ATOM 1255 CD GLU A 78 -11.519 -2.520 -4.905 1.00 71.00 C ATOM 1256 OE1 GLU A 78 -11.902 -1.489 -4.308 1.00 41.23 O ATOM 1257 OE2 GLU A 78 -12.045 -2.903 -5.970 1.00 13.55 O ATOM 0 H GLU A 78 -6.595 -2.142 -4.963 1.00 71.33 H new ATOM 0 HA GLU A 78 -7.962 -4.071 -3.334 1.00 42.15 H new ATOM 0 HB2 GLU A 78 -8.808 -1.835 -4.354 1.00 35.45 H new ATOM 0 HB3 GLU A 78 -8.975 -2.720 -5.858 1.00 35.45 H new ATOM 0 HG2 GLU A 78 -10.466 -4.381 -4.614 1.00 65.31 H new ATOM 0 HG3 GLU A 78 -10.408 -3.307 -3.231 1.00 65.31 H new ATOM 1264 N LYS A 79 -6.963 -4.960 -6.346 1.00 63.32 N ATOM 1265 CA LYS A 79 -6.741 -6.134 -7.217 1.00 23.01 C ATOM 1266 C LYS A 79 -5.726 -7.104 -6.570 1.00 60.21 C ATOM 1267 O LYS A 79 -5.864 -8.320 -6.708 1.00 2.43 O ATOM 1268 CB LYS A 79 -6.302 -5.690 -8.640 1.00 43.30 C ATOM 1269 CG LYS A 79 -6.204 -6.835 -9.685 1.00 32.43 C ATOM 1270 CD LYS A 79 -7.507 -7.672 -9.792 1.00 64.43 C ATOM 1271 CE LYS A 79 -7.451 -8.735 -10.905 1.00 34.42 C ATOM 1272 NZ LYS A 79 -7.433 -8.135 -12.263 1.00 22.14 N ATOM 0 H LYS A 79 -6.482 -4.115 -6.655 1.00 63.32 H new ATOM 0 HA LYS A 79 -7.682 -6.673 -7.327 1.00 23.01 H new ATOM 0 HB2 LYS A 79 -7.008 -4.945 -9.006 1.00 43.30 H new ATOM 0 HB3 LYS A 79 -5.331 -5.200 -8.568 1.00 43.30 H new ATOM 0 HG2 LYS A 79 -5.971 -6.410 -10.661 1.00 32.43 H new ATOM 0 HG3 LYS A 79 -5.377 -7.493 -9.418 1.00 32.43 H new ATOM 0 HD2 LYS A 79 -7.696 -8.163 -8.837 1.00 64.43 H new ATOM 0 HD3 LYS A 79 -8.347 -7.003 -9.978 1.00 64.43 H new ATOM 0 HE2 LYS A 79 -6.561 -9.350 -10.771 1.00 34.42 H new ATOM 0 HE3 LYS A 79 -8.312 -9.397 -10.815 1.00 34.42 H new ATOM 0 HZ1 LYS A 79 -7.464 -8.891 -12.977 1.00 22.14 H new ATOM 0 HZ2 LYS A 79 -8.260 -7.515 -12.380 1.00 22.14 H new ATOM 0 HZ3 LYS A 79 -6.563 -7.579 -12.385 1.00 22.14 H new ATOM 1286 N LEU A 80 -4.736 -6.552 -5.827 1.00 3.55 N ATOM 1287 CA LEU A 80 -3.833 -7.359 -4.967 1.00 51.11 C ATOM 1288 C LEU A 80 -4.665 -8.057 -3.866 1.00 65.31 C ATOM 1289 O LEU A 80 -4.439 -9.220 -3.526 1.00 61.50 O ATOM 1290 CB LEU A 80 -2.745 -6.470 -4.284 1.00 42.05 C ATOM 1291 CG LEU A 80 -1.704 -5.745 -5.198 1.00 3.15 C ATOM 1292 CD1 LEU A 80 -0.704 -4.919 -4.348 1.00 71.24 C ATOM 1293 CD2 LEU A 80 -0.978 -6.729 -6.146 1.00 4.34 C ATOM 0 H LEU A 80 -4.542 -5.551 -5.805 1.00 3.55 H new ATOM 0 HA LEU A 80 -3.334 -8.093 -5.600 1.00 51.11 H new ATOM 0 HB2 LEU A 80 -3.258 -5.710 -3.695 1.00 42.05 H new ATOM 0 HB3 LEU A 80 -2.194 -7.097 -3.584 1.00 42.05 H new ATOM 0 HG LEU A 80 -2.253 -5.051 -5.835 1.00 3.15 H new ATOM 0 HD11 LEU A 80 0.010 -4.424 -5.006 1.00 71.24 H new ATOM 0 HD12 LEU A 80 -1.248 -4.170 -3.773 1.00 71.24 H new ATOM 0 HD13 LEU A 80 -0.171 -5.582 -3.667 1.00 71.24 H new ATOM 0 HD21 LEU A 80 -0.265 -6.181 -6.762 1.00 4.34 H new ATOM 0 HD22 LEU A 80 -0.449 -7.478 -5.557 1.00 4.34 H new ATOM 0 HD23 LEU A 80 -1.708 -7.222 -6.788 1.00 4.34 H new ATOM 1305 N LEU A 81 -5.641 -7.296 -3.348 1.00 11.30 N ATOM 1306 CA LEU A 81 -6.574 -7.718 -2.293 1.00 54.32 C ATOM 1307 C LEU A 81 -7.408 -8.922 -2.760 1.00 61.42 C ATOM 1308 O LEU A 81 -7.545 -9.910 -2.041 1.00 72.12 O ATOM 1309 CB LEU A 81 -7.506 -6.526 -1.945 1.00 3.21 C ATOM 1310 CG LEU A 81 -8.436 -6.683 -0.712 1.00 33.54 C ATOM 1311 CD1 LEU A 81 -7.665 -6.477 0.600 1.00 12.44 C ATOM 1312 CD2 LEU A 81 -9.656 -5.739 -0.809 1.00 63.13 C ATOM 0 H LEU A 81 -5.808 -6.340 -3.662 1.00 11.30 H new ATOM 0 HA LEU A 81 -6.011 -8.019 -1.410 1.00 54.32 H new ATOM 0 HB2 LEU A 81 -6.883 -5.646 -1.787 1.00 3.21 H new ATOM 0 HB3 LEU A 81 -8.131 -6.322 -2.814 1.00 3.21 H new ATOM 0 HG LEU A 81 -8.813 -7.706 -0.709 1.00 33.54 H new ATOM 0 HD11 LEU A 81 -8.345 -6.594 1.444 1.00 12.44 H new ATOM 0 HD12 LEU A 81 -6.867 -7.215 0.673 1.00 12.44 H new ATOM 0 HD13 LEU A 81 -7.235 -5.475 0.616 1.00 12.44 H new ATOM 0 HD21 LEU A 81 -10.289 -5.871 0.068 1.00 63.13 H new ATOM 0 HD22 LEU A 81 -9.313 -4.705 -0.857 1.00 63.13 H new ATOM 0 HD23 LEU A 81 -10.227 -5.974 -1.707 1.00 63.13 H new ATOM 1324 N GLN A 82 -7.952 -8.811 -3.984 1.00 35.23 N ATOM 1325 CA GLN A 82 -8.777 -9.861 -4.606 1.00 12.23 C ATOM 1326 C GLN A 82 -7.946 -11.108 -4.982 1.00 34.23 C ATOM 1327 O GLN A 82 -8.395 -12.235 -4.763 1.00 13.10 O ATOM 1328 CB GLN A 82 -9.503 -9.290 -5.849 1.00 2.35 C ATOM 1329 CG GLN A 82 -10.560 -8.206 -5.548 1.00 31.43 C ATOM 1330 CD GLN A 82 -11.695 -8.685 -4.638 1.00 23.04 C ATOM 1331 OE1 GLN A 82 -12.722 -9.185 -5.102 1.00 35.32 O ATOM 1332 NE2 GLN A 82 -11.516 -8.526 -3.334 1.00 21.14 N ATOM 0 H GLN A 82 -7.831 -7.987 -4.572 1.00 35.23 H new ATOM 0 HA GLN A 82 -9.516 -10.183 -3.873 1.00 12.23 H new ATOM 0 HB2 GLN A 82 -8.758 -8.871 -6.526 1.00 2.35 H new ATOM 0 HB3 GLN A 82 -9.987 -10.111 -6.377 1.00 2.35 H new ATOM 0 HG2 GLN A 82 -10.069 -7.352 -5.081 1.00 31.43 H new ATOM 0 HG3 GLN A 82 -10.985 -7.855 -6.488 1.00 31.43 H new ATOM 0 HE21 GLN A 82 -10.653 -8.108 -2.985 1.00 21.14 H new ATOM 0 HE22 GLN A 82 -12.241 -8.821 -2.680 1.00 21.14 H new ATOM 1341 N ASP A 83 -6.743 -10.889 -5.551 1.00 14.14 N ATOM 1342 CA ASP A 83 -5.809 -11.984 -5.921 1.00 24.03 C ATOM 1343 C ASP A 83 -5.335 -12.765 -4.681 1.00 52.23 C ATOM 1344 O ASP A 83 -5.075 -13.972 -4.769 1.00 32.42 O ATOM 1345 CB ASP A 83 -4.589 -11.421 -6.720 1.00 50.43 C ATOM 1346 CG ASP A 83 -4.808 -11.424 -8.244 1.00 72.23 C ATOM 1347 OD1 ASP A 83 -5.514 -10.533 -8.757 1.00 51.45 O ATOM 1348 OD2 ASP A 83 -4.289 -12.334 -8.936 1.00 54.51 O ATOM 0 H ASP A 83 -6.389 -9.957 -5.768 1.00 14.14 H new ATOM 0 HA ASP A 83 -6.351 -12.680 -6.561 1.00 24.03 H new ATOM 0 HB2 ASP A 83 -4.386 -10.402 -6.391 1.00 50.43 H new ATOM 0 HB3 ASP A 83 -3.705 -12.014 -6.485 1.00 50.43 H new ATOM 1353 N ALA A 84 -5.196 -12.055 -3.551 1.00 64.14 N ATOM 1354 CA ALA A 84 -4.924 -12.683 -2.253 1.00 52.44 C ATOM 1355 C ALA A 84 -6.135 -13.504 -1.790 1.00 51.50 C ATOM 1356 O ALA A 84 -6.003 -14.703 -1.548 1.00 71.35 O ATOM 1357 CB ALA A 84 -4.548 -11.621 -1.217 1.00 53.12 C ATOM 0 H ALA A 84 -5.269 -11.038 -3.513 1.00 64.14 H new ATOM 0 HA ALA A 84 -4.079 -13.363 -2.362 1.00 52.44 H new ATOM 0 HB1 ALA A 84 -4.349 -12.102 -0.259 1.00 53.12 H new ATOM 0 HB2 ALA A 84 -3.656 -11.089 -1.548 1.00 53.12 H new ATOM 0 HB3 ALA A 84 -5.371 -10.915 -1.105 1.00 53.12 H new ATOM 1363 N TYR A 85 -7.315 -12.843 -1.718 1.00 25.11 N ATOM 1364 CA TYR A 85 -8.600 -13.464 -1.285 1.00 54.34 C ATOM 1365 C TYR A 85 -8.942 -14.754 -2.069 1.00 3.41 C ATOM 1366 O TYR A 85 -9.688 -15.611 -1.575 1.00 11.01 O ATOM 1367 CB TYR A 85 -9.784 -12.456 -1.436 1.00 65.41 C ATOM 1368 CG TYR A 85 -9.901 -11.341 -0.370 1.00 1.42 C ATOM 1369 CD1 TYR A 85 -9.383 -11.496 0.919 1.00 11.34 C ATOM 1370 CD2 TYR A 85 -10.586 -10.146 -0.648 1.00 0.11 C ATOM 1371 CE1 TYR A 85 -9.536 -10.509 1.874 1.00 21.45 C ATOM 1372 CE2 TYR A 85 -10.729 -9.162 0.310 1.00 63.34 C ATOM 1373 CZ TYR A 85 -10.207 -9.348 1.563 1.00 4.10 C ATOM 1374 OH TYR A 85 -10.355 -8.369 2.517 1.00 65.12 O ATOM 0 H TYR A 85 -7.408 -11.856 -1.960 1.00 25.11 H new ATOM 0 HA TYR A 85 -8.463 -13.732 -0.237 1.00 54.34 H new ATOM 0 HB2 TYR A 85 -9.702 -11.982 -2.414 1.00 65.41 H new ATOM 0 HB3 TYR A 85 -10.714 -13.024 -1.435 1.00 65.41 H new ATOM 0 HD1 TYR A 85 -8.854 -12.403 1.173 1.00 11.34 H new ATOM 0 HD2 TYR A 85 -11.009 -9.994 -1.630 1.00 0.11 H new ATOM 0 HE1 TYR A 85 -9.129 -10.649 2.865 1.00 21.45 H new ATOM 0 HE2 TYR A 85 -11.251 -8.247 0.072 1.00 63.34 H new ATOM 0 HH TYR A 85 -9.656 -8.466 3.196 1.00 65.12 H new ATOM 1384 N GLU A 86 -8.422 -14.851 -3.298 1.00 0.11 N ATOM 1385 CA GLU A 86 -8.617 -16.013 -4.179 1.00 42.10 C ATOM 1386 C GLU A 86 -7.826 -17.240 -3.627 1.00 11.30 C ATOM 1387 O GLU A 86 -6.802 -17.078 -2.952 1.00 24.20 O ATOM 1388 CB GLU A 86 -8.171 -15.621 -5.635 1.00 3.30 C ATOM 1389 CG GLU A 86 -9.057 -16.156 -6.786 1.00 53.21 C ATOM 1390 CD GLU A 86 -9.029 -17.688 -6.951 1.00 75.41 C ATOM 1391 OE1 GLU A 86 -8.039 -18.214 -7.496 1.00 33.22 O ATOM 1392 OE2 GLU A 86 -9.996 -18.372 -6.538 1.00 72.23 O ATOM 0 H GLU A 86 -7.848 -14.118 -3.715 1.00 0.11 H new ATOM 0 HA GLU A 86 -9.668 -16.301 -4.209 1.00 42.10 H new ATOM 0 HB2 GLU A 86 -8.140 -14.534 -5.703 1.00 3.30 H new ATOM 0 HB3 GLU A 86 -7.153 -15.979 -5.790 1.00 3.30 H new ATOM 0 HG2 GLU A 86 -10.086 -15.840 -6.613 1.00 53.21 H new ATOM 0 HG3 GLU A 86 -8.735 -15.696 -7.720 1.00 53.21 H new ATOM 1399 N ARG A 87 -8.340 -18.451 -3.930 1.00 43.41 N ATOM 1400 CA ARG A 87 -7.757 -19.764 -3.540 1.00 4.32 C ATOM 1401 C ARG A 87 -7.981 -20.094 -2.039 1.00 13.24 C ATOM 1402 O ARG A 87 -8.993 -20.707 -1.685 1.00 32.12 O ATOM 1403 CB ARG A 87 -6.236 -19.916 -3.886 1.00 43.11 C ATOM 1404 CG ARG A 87 -5.839 -19.699 -5.363 1.00 54.45 C ATOM 1405 CD ARG A 87 -4.314 -19.806 -5.548 1.00 11.40 C ATOM 1406 NE ARG A 87 -3.874 -19.505 -6.923 1.00 11.04 N ATOM 1407 CZ ARG A 87 -2.590 -19.549 -7.338 1.00 13.34 C ATOM 1408 NH1 ARG A 87 -1.616 -19.893 -6.505 1.00 21.25 N ATOM 1409 NH2 ARG A 87 -2.281 -19.217 -8.583 1.00 52.32 N ATOM 0 H ARG A 87 -9.200 -18.551 -4.470 1.00 43.41 H new ATOM 0 HA ARG A 87 -8.304 -20.484 -4.149 1.00 4.32 H new ATOM 0 HB2 ARG A 87 -5.675 -19.209 -3.275 1.00 43.11 H new ATOM 0 HB3 ARG A 87 -5.917 -20.916 -3.591 1.00 43.11 H new ATOM 0 HG2 ARG A 87 -6.337 -20.439 -5.989 1.00 54.45 H new ATOM 0 HG3 ARG A 87 -6.181 -18.719 -5.695 1.00 54.45 H new ATOM 0 HD2 ARG A 87 -3.822 -19.121 -4.858 1.00 11.40 H new ATOM 0 HD3 ARG A 87 -3.992 -20.813 -5.282 1.00 11.40 H new ATOM 0 HE ARG A 87 -4.587 -19.247 -7.605 1.00 11.04 H new ATOM 0 HH11 ARG A 87 -1.833 -20.129 -5.537 1.00 21.25 H new ATOM 0 HH12 ARG A 87 -0.651 -19.922 -6.833 1.00 21.25 H new ATOM 0 HH21 ARG A 87 -3.014 -18.927 -9.230 1.00 52.32 H new ATOM 0 HH22 ARG A 87 -1.310 -19.251 -8.894 1.00 52.32 H new ATOM 1423 N SER A 88 -7.041 -19.663 -1.163 1.00 70.42 N ATOM 1424 CA SER A 88 -6.903 -20.222 0.209 1.00 40.31 C ATOM 1425 C SER A 88 -6.504 -19.156 1.246 1.00 32.24 C ATOM 1426 O SER A 88 -6.008 -18.078 0.890 1.00 53.00 O ATOM 1427 CB SER A 88 -5.839 -21.355 0.199 1.00 13.43 C ATOM 1428 OG SER A 88 -6.170 -22.371 -0.737 1.00 23.15 O ATOM 0 H SER A 88 -6.366 -18.930 -1.380 1.00 70.42 H new ATOM 0 HA SER A 88 -7.878 -20.611 0.501 1.00 40.31 H new ATOM 0 HB2 SER A 88 -4.863 -20.937 -0.046 1.00 13.43 H new ATOM 0 HB3 SER A 88 -5.759 -21.789 1.196 1.00 13.43 H new ATOM 0 HG SER A 88 -5.481 -23.068 -0.721 1.00 23.15 H new ATOM 1434 N GLU A 89 -6.707 -19.498 2.540 1.00 75.33 N ATOM 1435 CA GLU A 89 -6.301 -18.661 3.677 1.00 35.23 C ATOM 1436 C GLU A 89 -6.189 -19.502 4.968 1.00 63.44 C ATOM 1437 O GLU A 89 -7.007 -20.391 5.227 1.00 52.43 O ATOM 1438 CB GLU A 89 -7.300 -17.485 3.912 1.00 15.33 C ATOM 1439 CG GLU A 89 -8.742 -17.909 4.277 1.00 33.32 C ATOM 1440 CD GLU A 89 -9.661 -16.718 4.609 1.00 42.30 C ATOM 1441 OE1 GLU A 89 -9.437 -16.054 5.643 1.00 51.54 O ATOM 1442 OE2 GLU A 89 -10.611 -16.442 3.847 1.00 34.24 O ATOM 0 H GLU A 89 -7.160 -20.368 2.818 1.00 75.33 H new ATOM 0 HA GLU A 89 -5.324 -18.244 3.431 1.00 35.23 H new ATOM 0 HB2 GLU A 89 -6.911 -16.853 4.710 1.00 15.33 H new ATOM 0 HB3 GLU A 89 -7.335 -16.874 3.010 1.00 15.33 H new ATOM 0 HG2 GLU A 89 -9.170 -18.469 3.446 1.00 33.32 H new ATOM 0 HG3 GLU A 89 -8.710 -18.584 5.133 1.00 33.32 H new ATOM 1449 N SER A 90 -5.139 -19.223 5.743 1.00 3.23 N ATOM 1450 CA SER A 90 -5.028 -19.603 7.165 1.00 55.04 C ATOM 1451 C SER A 90 -4.618 -18.334 7.931 1.00 55.43 C ATOM 1452 O SER A 90 -5.107 -18.047 9.026 1.00 51.30 O ATOM 1453 CB SER A 90 -4.012 -20.757 7.354 1.00 11.13 C ATOM 1454 OG SER A 90 -2.723 -20.420 6.856 1.00 5.04 O ATOM 0 H SER A 90 -4.323 -18.717 5.399 1.00 3.23 H new ATOM 0 HA SER A 90 -5.976 -19.981 7.549 1.00 55.04 H new ATOM 0 HB2 SER A 90 -3.938 -21.005 8.413 1.00 11.13 H new ATOM 0 HB3 SER A 90 -4.376 -21.648 6.843 1.00 11.13 H new ATOM 0 HG SER A 90 -2.791 -20.179 5.908 1.00 5.04 H new ATOM 1460 N LEU A 91 -3.690 -17.591 7.310 1.00 41.34 N ATOM 1461 CA LEU A 91 -3.445 -16.168 7.575 1.00 72.43 C ATOM 1462 C LEU A 91 -3.495 -15.491 6.181 1.00 52.03 C ATOM 1463 O LEU A 91 -4.570 -15.074 5.756 1.00 41.44 O ATOM 1464 CB LEU A 91 -2.091 -15.972 8.339 1.00 51.45 C ATOM 1465 CG LEU A 91 -1.772 -14.554 8.959 1.00 24.12 C ATOM 1466 CD1 LEU A 91 -0.607 -14.649 9.984 1.00 42.32 C ATOM 1467 CD2 LEU A 91 -1.431 -13.501 7.870 1.00 51.43 C ATOM 0 H LEU A 91 -3.075 -17.974 6.592 1.00 41.34 H new ATOM 0 HA LEU A 91 -4.185 -15.714 8.234 1.00 72.43 H new ATOM 0 HB2 LEU A 91 -2.058 -16.702 9.148 1.00 51.45 H new ATOM 0 HB3 LEU A 91 -1.283 -16.222 7.651 1.00 51.45 H new ATOM 0 HG LEU A 91 -2.676 -14.224 9.471 1.00 24.12 H new ATOM 0 HD11 LEU A 91 -0.405 -13.661 10.398 1.00 42.32 H new ATOM 0 HD12 LEU A 91 -0.885 -15.330 10.789 1.00 42.32 H new ATOM 0 HD13 LEU A 91 0.287 -15.023 9.485 1.00 42.32 H new ATOM 0 HD21 LEU A 91 -1.219 -12.543 8.344 1.00 51.43 H new ATOM 0 HD22 LEU A 91 -0.557 -13.829 7.308 1.00 51.43 H new ATOM 0 HD23 LEU A 91 -2.278 -13.391 7.192 1.00 51.43 H new ATOM 1479 N GLU A 92 -2.332 -15.484 5.469 1.00 41.00 N ATOM 1480 CA GLU A 92 -2.142 -15.020 4.060 1.00 63.15 C ATOM 1481 C GLU A 92 -2.937 -13.742 3.699 1.00 62.30 C ATOM 1482 O GLU A 92 -2.406 -12.624 3.773 1.00 32.04 O ATOM 1483 CB GLU A 92 -2.445 -16.151 3.027 1.00 63.11 C ATOM 1484 CG GLU A 92 -1.540 -17.407 3.100 1.00 4.02 C ATOM 1485 CD GLU A 92 -1.901 -18.372 4.244 1.00 31.43 C ATOM 1486 OE1 GLU A 92 -2.745 -19.265 4.036 1.00 62.51 O ATOM 1487 OE2 GLU A 92 -1.365 -18.228 5.366 1.00 70.40 O ATOM 0 H GLU A 92 -1.460 -15.817 5.880 1.00 41.00 H new ATOM 0 HA GLU A 92 -1.086 -14.756 4.000 1.00 63.15 H new ATOM 0 HB2 GLU A 92 -3.480 -16.467 3.159 1.00 63.11 H new ATOM 0 HB3 GLU A 92 -2.365 -15.730 2.025 1.00 63.11 H new ATOM 0 HG2 GLU A 92 -1.602 -17.943 2.153 1.00 4.02 H new ATOM 0 HG3 GLU A 92 -0.504 -17.090 3.219 1.00 4.02 H new ATOM 1494 N VAL A 93 -4.227 -13.935 3.365 1.00 55.32 N ATOM 1495 CA VAL A 93 -5.103 -12.887 2.814 1.00 62.32 C ATOM 1496 C VAL A 93 -5.339 -11.762 3.834 1.00 2.13 C ATOM 1497 O VAL A 93 -5.554 -10.625 3.446 1.00 13.32 O ATOM 1498 CB VAL A 93 -6.484 -13.495 2.344 1.00 54.32 C ATOM 1499 CG1 VAL A 93 -6.247 -14.772 1.515 1.00 1.44 C ATOM 1500 CG2 VAL A 93 -7.429 -13.782 3.532 1.00 71.13 C ATOM 0 H VAL A 93 -4.695 -14.835 3.472 1.00 55.32 H new ATOM 0 HA VAL A 93 -4.597 -12.461 1.948 1.00 62.32 H new ATOM 0 HB VAL A 93 -6.976 -12.750 1.719 1.00 54.32 H new ATOM 0 HG11 VAL A 93 -7.205 -15.182 1.197 1.00 1.44 H new ATOM 0 HG12 VAL A 93 -5.646 -14.530 0.638 1.00 1.44 H new ATOM 0 HG13 VAL A 93 -5.721 -15.508 2.123 1.00 1.44 H new ATOM 0 HG21 VAL A 93 -8.365 -14.199 3.160 1.00 71.13 H new ATOM 0 HG22 VAL A 93 -6.957 -14.495 4.208 1.00 71.13 H new ATOM 0 HG23 VAL A 93 -7.632 -12.855 4.068 1.00 71.13 H new ATOM 1510 N ALA A 94 -5.275 -12.112 5.140 1.00 33.44 N ATOM 1511 CA ALA A 94 -5.579 -11.182 6.239 1.00 62.10 C ATOM 1512 C ALA A 94 -4.490 -10.108 6.386 1.00 21.15 C ATOM 1513 O ALA A 94 -4.797 -8.936 6.665 1.00 12.15 O ATOM 1514 CB ALA A 94 -5.780 -11.967 7.534 1.00 42.15 C ATOM 0 H ALA A 94 -5.011 -13.046 5.455 1.00 33.44 H new ATOM 0 HA ALA A 94 -6.504 -10.654 6.007 1.00 62.10 H new ATOM 0 HB1 ALA A 94 -6.005 -11.277 8.347 1.00 42.15 H new ATOM 0 HB2 ALA A 94 -6.608 -12.665 7.411 1.00 42.15 H new ATOM 0 HB3 ALA A 94 -4.871 -12.520 7.769 1.00 42.15 H new ATOM 1520 N PHE A 95 -3.224 -10.507 6.162 1.00 53.41 N ATOM 1521 CA PHE A 95 -2.092 -9.566 6.088 1.00 2.41 C ATOM 1522 C PHE A 95 -2.347 -8.543 4.976 1.00 45.40 C ATOM 1523 O PHE A 95 -2.268 -7.344 5.205 1.00 20.22 O ATOM 1524 CB PHE A 95 -0.774 -10.332 5.826 1.00 32.24 C ATOM 1525 CG PHE A 95 0.460 -9.452 5.537 1.00 3.42 C ATOM 1526 CD1 PHE A 95 1.231 -8.927 6.571 1.00 32.44 C ATOM 1527 CD2 PHE A 95 0.839 -9.162 4.219 1.00 61.44 C ATOM 1528 CE1 PHE A 95 2.342 -8.147 6.299 1.00 3.21 C ATOM 1529 CE2 PHE A 95 1.945 -8.384 3.950 1.00 2.24 C ATOM 1530 CZ PHE A 95 2.698 -7.875 4.987 1.00 61.54 C ATOM 0 H PHE A 95 -2.959 -11.483 6.028 1.00 53.41 H new ATOM 0 HA PHE A 95 -1.999 -9.041 7.039 1.00 2.41 H new ATOM 0 HB2 PHE A 95 -0.558 -10.956 6.693 1.00 32.24 H new ATOM 0 HB3 PHE A 95 -0.926 -11.003 4.981 1.00 32.24 H new ATOM 0 HD1 PHE A 95 0.959 -9.131 7.596 1.00 32.44 H new ATOM 0 HD2 PHE A 95 0.255 -9.555 3.400 1.00 61.44 H new ATOM 0 HE1 PHE A 95 2.933 -7.749 7.111 1.00 3.21 H new ATOM 0 HE2 PHE A 95 2.222 -8.173 2.927 1.00 2.24 H new ATOM 0 HZ PHE A 95 3.564 -7.265 4.777 1.00 61.54 H new ATOM 1540 N VAL A 96 -2.695 -9.058 3.787 1.00 63.31 N ATOM 1541 CA VAL A 96 -2.972 -8.237 2.601 1.00 34.15 C ATOM 1542 C VAL A 96 -4.197 -7.324 2.837 1.00 35.21 C ATOM 1543 O VAL A 96 -4.196 -6.178 2.404 1.00 53.41 O ATOM 1544 CB VAL A 96 -3.189 -9.139 1.331 1.00 12.41 C ATOM 1545 CG1 VAL A 96 -3.499 -8.292 0.070 1.00 50.01 C ATOM 1546 CG2 VAL A 96 -1.963 -10.067 1.105 1.00 1.52 C ATOM 0 H VAL A 96 -2.792 -10.060 3.622 1.00 63.31 H new ATOM 0 HA VAL A 96 -2.104 -7.603 2.422 1.00 34.15 H new ATOM 0 HB VAL A 96 -4.062 -9.766 1.513 1.00 12.41 H new ATOM 0 HG11 VAL A 96 -3.642 -8.952 -0.785 1.00 50.01 H new ATOM 0 HG12 VAL A 96 -4.406 -7.711 0.236 1.00 50.01 H new ATOM 0 HG13 VAL A 96 -2.667 -7.617 -0.128 1.00 50.01 H new ATOM 0 HG21 VAL A 96 -2.131 -10.684 0.222 1.00 1.52 H new ATOM 0 HG22 VAL A 96 -1.069 -9.460 0.959 1.00 1.52 H new ATOM 0 HG23 VAL A 96 -1.827 -10.709 1.975 1.00 1.52 H new ATOM 1556 N THR A 97 -5.201 -7.840 3.578 1.00 64.10 N ATOM 1557 CA THR A 97 -6.406 -7.087 3.966 1.00 61.20 C ATOM 1558 C THR A 97 -6.012 -5.834 4.755 1.00 15.32 C ATOM 1559 O THR A 97 -6.236 -4.708 4.289 1.00 54.13 O ATOM 1560 CB THR A 97 -7.396 -7.980 4.795 1.00 4.12 C ATOM 1561 OG1 THR A 97 -7.819 -9.083 3.992 1.00 12.05 O ATOM 1562 CG2 THR A 97 -8.641 -7.213 5.282 1.00 2.22 C ATOM 0 H THR A 97 -5.195 -8.799 3.925 1.00 64.10 H new ATOM 0 HA THR A 97 -6.924 -6.781 3.057 1.00 61.20 H new ATOM 0 HB THR A 97 -6.855 -8.316 5.680 1.00 4.12 H new ATOM 0 HG1 THR A 97 -7.047 -9.648 3.779 1.00 12.05 H new ATOM 0 HG21 THR A 97 -9.285 -7.886 5.848 1.00 2.22 H new ATOM 0 HG22 THR A 97 -8.332 -6.385 5.920 1.00 2.22 H new ATOM 0 HG23 THR A 97 -9.188 -6.825 4.423 1.00 2.22 H new ATOM 1570 N GLN A 98 -5.338 -6.059 5.895 1.00 72.23 N ATOM 1571 CA GLN A 98 -4.910 -4.982 6.800 1.00 1.14 C ATOM 1572 C GLN A 98 -3.904 -4.025 6.119 1.00 71.23 C ATOM 1573 O GLN A 98 -4.020 -2.839 6.286 1.00 55.22 O ATOM 1574 CB GLN A 98 -4.321 -5.555 8.130 1.00 72.20 C ATOM 1575 CG GLN A 98 -5.367 -5.935 9.213 1.00 72.33 C ATOM 1576 CD GLN A 98 -6.328 -7.065 8.824 1.00 21.13 C ATOM 1577 OE1 GLN A 98 -7.401 -6.829 8.279 1.00 44.32 O ATOM 1578 NE2 GLN A 98 -5.958 -8.300 9.120 1.00 25.20 N ATOM 0 H GLN A 98 -5.075 -6.992 6.214 1.00 72.23 H new ATOM 0 HA GLN A 98 -5.799 -4.402 7.048 1.00 1.14 H new ATOM 0 HB2 GLN A 98 -3.730 -6.440 7.894 1.00 72.20 H new ATOM 0 HB3 GLN A 98 -3.638 -4.818 8.552 1.00 72.20 H new ATOM 0 HG2 GLN A 98 -4.838 -6.226 10.120 1.00 72.33 H new ATOM 0 HG3 GLN A 98 -5.953 -5.049 9.456 1.00 72.33 H new ATOM 0 HE21 GLN A 98 -5.060 -8.469 9.573 1.00 25.20 H new ATOM 0 HE22 GLN A 98 -6.571 -9.084 8.895 1.00 25.20 H new ATOM 1587 N LEU A 99 -2.963 -4.553 5.318 1.00 3.33 N ATOM 1588 CA LEU A 99 -1.844 -3.759 4.709 1.00 24.24 C ATOM 1589 C LEU A 99 -2.327 -2.842 3.564 1.00 50.33 C ATOM 1590 O LEU A 99 -1.927 -1.665 3.496 1.00 71.42 O ATOM 1591 CB LEU A 99 -0.710 -4.719 4.237 1.00 3.24 C ATOM 1592 CG LEU A 99 0.422 -5.015 5.284 1.00 40.22 C ATOM 1593 CD1 LEU A 99 1.425 -3.846 5.381 1.00 25.45 C ATOM 1594 CD2 LEU A 99 -0.145 -5.372 6.692 1.00 34.05 C ATOM 0 H LEU A 99 -2.943 -5.541 5.065 1.00 3.33 H new ATOM 0 HA LEU A 99 -1.446 -3.096 5.477 1.00 24.24 H new ATOM 0 HB2 LEU A 99 -1.162 -5.666 3.943 1.00 3.24 H new ATOM 0 HB3 LEU A 99 -0.250 -4.295 3.345 1.00 3.24 H new ATOM 0 HG LEU A 99 0.954 -5.893 4.918 1.00 40.22 H new ATOM 0 HD11 LEU A 99 2.194 -4.086 6.115 1.00 25.45 H new ATOM 0 HD12 LEU A 99 1.890 -3.684 4.408 1.00 25.45 H new ATOM 0 HD13 LEU A 99 0.901 -2.941 5.688 1.00 25.45 H new ATOM 0 HD21 LEU A 99 0.680 -5.567 7.377 1.00 34.05 H new ATOM 0 HD22 LEU A 99 -0.739 -4.539 7.067 1.00 34.05 H new ATOM 0 HD23 LEU A 99 -0.773 -6.260 6.617 1.00 34.05 H new ATOM 1606 N VAL A 100 -3.171 -3.399 2.677 1.00 0.43 N ATOM 1607 CA VAL A 100 -3.913 -2.622 1.657 1.00 53.01 C ATOM 1608 C VAL A 100 -4.741 -1.520 2.344 1.00 45.50 C ATOM 1609 O VAL A 100 -4.690 -0.338 1.958 1.00 24.11 O ATOM 1610 CB VAL A 100 -4.852 -3.583 0.806 1.00 74.24 C ATOM 1611 CG1 VAL A 100 -6.051 -2.849 0.140 1.00 72.32 C ATOM 1612 CG2 VAL A 100 -4.023 -4.359 -0.247 1.00 23.14 C ATOM 0 H VAL A 100 -3.361 -4.401 2.644 1.00 0.43 H new ATOM 0 HA VAL A 100 -3.202 -2.153 0.977 1.00 53.01 H new ATOM 0 HB VAL A 100 -5.289 -4.290 1.511 1.00 74.24 H new ATOM 0 HG11 VAL A 100 -6.648 -3.565 -0.424 1.00 72.32 H new ATOM 0 HG12 VAL A 100 -6.669 -2.388 0.911 1.00 72.32 H new ATOM 0 HG13 VAL A 100 -5.677 -2.078 -0.534 1.00 72.32 H new ATOM 0 HG21 VAL A 100 -4.682 -5.012 -0.820 1.00 23.14 H new ATOM 0 HG22 VAL A 100 -3.537 -3.653 -0.920 1.00 23.14 H new ATOM 0 HG23 VAL A 100 -3.266 -4.960 0.257 1.00 23.14 H new ATOM 1622 N LYS A 101 -5.455 -1.940 3.400 1.00 65.02 N ATOM 1623 CA LYS A 101 -6.339 -1.073 4.184 1.00 53.23 C ATOM 1624 C LYS A 101 -5.548 0.066 4.858 1.00 71.43 C ATOM 1625 O LYS A 101 -5.974 1.202 4.806 1.00 50.52 O ATOM 1626 CB LYS A 101 -7.080 -1.944 5.224 1.00 45.13 C ATOM 1627 CG LYS A 101 -8.381 -1.355 5.806 1.00 1.44 C ATOM 1628 CD LYS A 101 -9.258 -2.464 6.454 1.00 21.33 C ATOM 1629 CE LYS A 101 -9.677 -3.562 5.436 1.00 31.20 C ATOM 1630 NZ LYS A 101 -10.502 -3.017 4.328 1.00 32.22 N ATOM 0 H LYS A 101 -5.432 -2.903 3.735 1.00 65.02 H new ATOM 0 HA LYS A 101 -7.067 -0.597 3.527 1.00 53.23 H new ATOM 0 HB2 LYS A 101 -7.315 -2.903 4.762 1.00 45.13 H new ATOM 0 HB3 LYS A 101 -6.397 -2.147 6.049 1.00 45.13 H new ATOM 0 HG2 LYS A 101 -8.139 -0.597 6.551 1.00 1.44 H new ATOM 0 HG3 LYS A 101 -8.944 -0.857 5.016 1.00 1.44 H new ATOM 0 HD2 LYS A 101 -8.708 -2.925 7.275 1.00 21.33 H new ATOM 0 HD3 LYS A 101 -10.152 -2.011 6.884 1.00 21.33 H new ATOM 0 HE2 LYS A 101 -8.784 -4.032 5.024 1.00 31.20 H new ATOM 0 HE3 LYS A 101 -10.237 -4.340 5.954 1.00 31.20 H new ATOM 0 HZ1 LYS A 101 -10.800 -3.793 3.703 1.00 32.22 H new ATOM 0 HZ2 LYS A 101 -11.342 -2.546 4.720 1.00 32.22 H new ATOM 0 HZ3 LYS A 101 -9.942 -2.330 3.784 1.00 32.22 H new ATOM 1644 N LYS A 102 -4.365 -0.257 5.426 1.00 24.45 N ATOM 1645 CA LYS A 102 -3.513 0.723 6.145 1.00 54.52 C ATOM 1646 C LYS A 102 -2.901 1.720 5.170 1.00 50.21 C ATOM 1647 O LYS A 102 -2.819 2.895 5.483 1.00 74.02 O ATOM 1648 CB LYS A 102 -2.369 0.040 6.945 1.00 4.24 C ATOM 1649 CG LYS A 102 -2.826 -0.811 8.145 1.00 25.30 C ATOM 1650 CD LYS A 102 -1.652 -1.583 8.795 1.00 14.01 C ATOM 1651 CE LYS A 102 -2.134 -2.711 9.713 1.00 55.45 C ATOM 1652 NZ LYS A 102 -1.013 -3.385 10.418 1.00 51.51 N ATOM 0 H LYS A 102 -3.973 -1.198 5.401 1.00 24.45 H new ATOM 0 HA LYS A 102 -4.165 1.238 6.850 1.00 54.52 H new ATOM 0 HB2 LYS A 102 -1.801 -0.595 6.265 1.00 4.24 H new ATOM 0 HB3 LYS A 102 -1.688 0.811 7.305 1.00 4.24 H new ATOM 0 HG2 LYS A 102 -3.291 -0.165 8.890 1.00 25.30 H new ATOM 0 HG3 LYS A 102 -3.587 -1.519 7.817 1.00 25.30 H new ATOM 0 HD2 LYS A 102 -1.018 -2.000 8.013 1.00 14.01 H new ATOM 0 HD3 LYS A 102 -1.037 -0.889 9.368 1.00 14.01 H new ATOM 0 HE2 LYS A 102 -2.830 -2.306 10.447 1.00 55.45 H new ATOM 0 HE3 LYS A 102 -2.683 -3.445 9.124 1.00 55.45 H new ATOM 0 HZ1 LYS A 102 -1.389 -4.140 11.026 1.00 51.51 H new ATOM 0 HZ2 LYS A 102 -0.361 -3.796 9.720 1.00 51.51 H new ATOM 0 HZ3 LYS A 102 -0.503 -2.692 11.002 1.00 51.51 H new ATOM 1666 N LEU A 103 -2.476 1.233 3.988 1.00 51.31 N ATOM 1667 CA LEU A 103 -1.916 2.092 2.925 1.00 4.22 C ATOM 1668 C LEU A 103 -3.025 3.013 2.346 1.00 25.45 C ATOM 1669 O LEU A 103 -2.746 4.131 1.896 1.00 22.21 O ATOM 1670 CB LEU A 103 -1.218 1.207 1.844 1.00 30.02 C ATOM 1671 CG LEU A 103 -0.394 1.937 0.717 1.00 11.44 C ATOM 1672 CD1 LEU A 103 0.621 2.952 1.293 1.00 45.20 C ATOM 1673 CD2 LEU A 103 0.329 0.902 -0.191 1.00 12.41 C ATOM 0 H LEU A 103 -2.510 0.243 3.744 1.00 51.31 H new ATOM 0 HA LEU A 103 -1.150 2.751 3.334 1.00 4.22 H new ATOM 0 HB2 LEU A 103 -0.546 0.519 2.357 1.00 30.02 H new ATOM 0 HB3 LEU A 103 -1.985 0.602 1.360 1.00 30.02 H new ATOM 0 HG LEU A 103 -1.107 2.501 0.116 1.00 11.44 H new ATOM 0 HD11 LEU A 103 1.163 3.428 0.476 1.00 45.20 H new ATOM 0 HD12 LEU A 103 0.090 3.711 1.867 1.00 45.20 H new ATOM 0 HD13 LEU A 103 1.326 2.433 1.942 1.00 45.20 H new ATOM 0 HD21 LEU A 103 0.892 1.426 -0.963 1.00 12.41 H new ATOM 0 HD22 LEU A 103 1.011 0.303 0.412 1.00 12.41 H new ATOM 0 HD23 LEU A 103 -0.409 0.251 -0.660 1.00 12.41 H new ATOM 1685 N LEU A 104 -4.291 2.540 2.433 1.00 62.01 N ATOM 1686 CA LEU A 104 -5.491 3.349 2.111 1.00 11.31 C ATOM 1687 C LEU A 104 -5.847 4.320 3.283 1.00 64.43 C ATOM 1688 O LEU A 104 -6.376 5.411 3.055 1.00 71.21 O ATOM 1689 CB LEU A 104 -6.686 2.402 1.782 1.00 25.42 C ATOM 1690 CG LEU A 104 -8.013 3.076 1.290 1.00 2.00 C ATOM 1691 CD1 LEU A 104 -7.794 3.855 -0.032 1.00 61.14 C ATOM 1692 CD2 LEU A 104 -9.144 2.024 1.144 1.00 32.14 C ATOM 0 H LEU A 104 -4.509 1.588 2.728 1.00 62.01 H new ATOM 0 HA LEU A 104 -5.278 3.964 1.237 1.00 11.31 H new ATOM 0 HB2 LEU A 104 -6.360 1.698 1.017 1.00 25.42 H new ATOM 0 HB3 LEU A 104 -6.913 1.820 2.675 1.00 25.42 H new ATOM 0 HG LEU A 104 -8.322 3.798 2.046 1.00 2.00 H new ATOM 0 HD11 LEU A 104 -8.733 4.310 -0.346 1.00 61.14 H new ATOM 0 HD12 LEU A 104 -7.048 4.634 0.124 1.00 61.14 H new ATOM 0 HD13 LEU A 104 -7.447 3.169 -0.805 1.00 61.14 H new ATOM 0 HD21 LEU A 104 -10.055 2.515 0.802 1.00 32.14 H new ATOM 0 HD22 LEU A 104 -8.845 1.267 0.419 1.00 32.14 H new ATOM 0 HD23 LEU A 104 -9.327 1.551 2.109 1.00 32.14 H new ATOM 1704 N ILE A 105 -5.538 3.909 4.535 1.00 11.41 N ATOM 1705 CA ILE A 105 -5.779 4.716 5.764 1.00 65.01 C ATOM 1706 C ILE A 105 -4.656 5.783 5.956 1.00 64.23 C ATOM 1707 O ILE A 105 -4.840 6.783 6.669 1.00 35.31 O ATOM 1708 CB ILE A 105 -5.951 3.768 7.036 1.00 61.50 C ATOM 1709 CG1 ILE A 105 -7.287 2.952 6.929 1.00 72.23 C ATOM 1710 CG2 ILE A 105 -5.908 4.535 8.388 1.00 53.14 C ATOM 1711 CD1 ILE A 105 -7.538 1.971 8.070 1.00 52.32 C ATOM 0 H ILE A 105 -5.111 3.003 4.727 1.00 11.41 H new ATOM 0 HA ILE A 105 -6.715 5.263 5.649 1.00 65.01 H new ATOM 0 HB ILE A 105 -5.097 3.091 7.031 1.00 61.50 H new ATOM 0 HG12 ILE A 105 -8.120 3.653 6.883 1.00 72.23 H new ATOM 0 HG13 ILE A 105 -7.283 2.399 5.989 1.00 72.23 H new ATOM 0 HG21 ILE A 105 -6.031 3.830 9.210 1.00 53.14 H new ATOM 0 HG22 ILE A 105 -4.949 5.044 8.487 1.00 53.14 H new ATOM 0 HG23 ILE A 105 -6.713 5.269 8.416 1.00 53.14 H new ATOM 0 HD11 ILE A 105 -8.485 1.456 7.906 1.00 52.32 H new ATOM 0 HD12 ILE A 105 -6.729 1.241 8.107 1.00 52.32 H new ATOM 0 HD13 ILE A 105 -7.580 2.514 9.014 1.00 52.32 H new ATOM 1723 N ILE A 106 -3.497 5.569 5.300 1.00 13.11 N ATOM 1724 CA ILE A 106 -2.428 6.588 5.182 1.00 63.12 C ATOM 1725 C ILE A 106 -2.977 7.778 4.389 1.00 62.44 C ATOM 1726 O ILE A 106 -2.922 8.933 4.828 1.00 62.13 O ATOM 1727 CB ILE A 106 -1.146 6.007 4.451 1.00 55.13 C ATOM 1728 CG1 ILE A 106 -0.461 4.914 5.321 1.00 74.23 C ATOM 1729 CG2 ILE A 106 -0.121 7.118 4.084 1.00 63.02 C ATOM 1730 CD1 ILE A 106 0.720 4.239 4.671 1.00 45.33 C ATOM 0 H ILE A 106 -3.274 4.688 4.837 1.00 13.11 H new ATOM 0 HA ILE A 106 -2.126 6.897 6.183 1.00 63.12 H new ATOM 0 HB ILE A 106 -1.491 5.558 3.520 1.00 55.13 H new ATOM 0 HG12 ILE A 106 -0.134 5.367 6.257 1.00 74.23 H new ATOM 0 HG13 ILE A 106 -1.201 4.155 5.576 1.00 74.23 H new ATOM 0 HG21 ILE A 106 0.739 6.670 3.586 1.00 63.02 H new ATOM 0 HG22 ILE A 106 -0.591 7.841 3.417 1.00 63.02 H new ATOM 0 HG23 ILE A 106 0.209 7.623 4.992 1.00 63.02 H new ATOM 0 HD11 ILE A 106 1.132 3.493 5.351 1.00 45.33 H new ATOM 0 HD12 ILE A 106 0.399 3.752 3.750 1.00 45.33 H new ATOM 0 HD13 ILE A 106 1.483 4.983 4.442 1.00 45.33 H new ATOM 1742 N ILE A 107 -3.557 7.448 3.230 1.00 25.41 N ATOM 1743 CA ILE A 107 -4.125 8.423 2.288 1.00 21.02 C ATOM 1744 C ILE A 107 -5.655 8.584 2.546 1.00 31.15 C ATOM 1745 O ILE A 107 -6.430 8.879 1.621 1.00 35.31 O ATOM 1746 CB ILE A 107 -3.820 7.949 0.806 1.00 4.24 C ATOM 1747 CG1 ILE A 107 -4.558 6.609 0.469 1.00 24.14 C ATOM 1748 CG2 ILE A 107 -2.286 7.791 0.601 1.00 2.55 C ATOM 1749 CD1 ILE A 107 -4.297 6.057 -0.925 1.00 55.41 C ATOM 0 H ILE A 107 -3.647 6.482 2.914 1.00 25.41 H new ATOM 0 HA ILE A 107 -3.667 9.401 2.434 1.00 21.02 H new ATOM 0 HB ILE A 107 -4.194 8.713 0.124 1.00 4.24 H new ATOM 0 HG12 ILE A 107 -4.264 5.857 1.201 1.00 24.14 H new ATOM 0 HG13 ILE A 107 -5.631 6.765 0.586 1.00 24.14 H new ATOM 0 HG21 ILE A 107 -2.087 7.465 -0.420 1.00 2.55 H new ATOM 0 HG22 ILE A 107 -1.795 8.748 0.779 1.00 2.55 H new ATOM 0 HG23 ILE A 107 -1.900 7.049 1.300 1.00 2.55 H new ATOM 0 HD11 ILE A 107 -4.853 5.129 -1.059 1.00 55.41 H new ATOM 0 HD12 ILE A 107 -4.620 6.784 -1.670 1.00 55.41 H new ATOM 0 HD13 ILE A 107 -3.231 5.862 -1.046 1.00 55.41 H new ATOM 1761 N SER A 108 -6.062 8.418 3.836 1.00 65.41 N ATOM 1762 CA SER A 108 -7.484 8.433 4.263 1.00 5.41 C ATOM 1763 C SER A 108 -8.184 9.762 3.911 1.00 33.25 C ATOM 1764 O SER A 108 -7.609 10.850 4.078 1.00 71.12 O ATOM 1765 CB SER A 108 -7.611 8.135 5.777 1.00 54.43 C ATOM 1766 OG SER A 108 -6.801 9.008 6.560 1.00 74.03 O ATOM 0 H SER A 108 -5.410 8.270 4.606 1.00 65.41 H new ATOM 0 HA SER A 108 -7.990 7.643 3.709 1.00 5.41 H new ATOM 0 HB2 SER A 108 -8.653 8.236 6.081 1.00 54.43 H new ATOM 0 HB3 SER A 108 -7.322 7.102 5.969 1.00 54.43 H new ATOM 0 HG SER A 108 -5.971 8.550 6.807 1.00 74.03 H new