USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 641 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 33 TYR OH : rot 180:sc= -0.0549 USER MOD Set 1.2: A 37 MET CE :methyl 153:sc= -0.659 (180deg=-3.27!) USER MOD Single : A 20 SER OG : rot -88:sc= 0.575 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= -1.06 (180deg=-2.18) USER MOD Single : A 38 THR OG1 : rot -52:sc= -1.74 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -134:sc= -2.94 (180deg=-5.34!) USER MOD Single : A 84 ASN : amide:sc= -0.0619 X(o=-0.062,f=-0.013) USER MOD Single : A 91 GLN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 10.870 -3.556 16.868 1.00 40.54 N ATOM 165 CA ARG A 12 10.799 -3.484 18.322 1.00 2.10 C ATOM 166 C ARG A 12 10.186 -2.161 18.772 1.00 5.10 C ATOM 167 O ARG A 12 9.340 -2.130 19.664 1.00 34.31 O ATOM 168 CB ARG A 12 12.193 -3.646 18.930 1.00 4.44 C ATOM 169 CG ARG A 12 12.858 -4.969 18.588 1.00 73.13 C ATOM 170 CD ARG A 12 14.090 -4.766 17.720 1.00 55.25 C ATOM 171 NE ARG A 12 14.148 -5.724 16.619 1.00 54.12 N ATOM 172 CZ ARG A 12 15.174 -5.820 15.782 1.00 43.05 C ATOM 173 NH1 ARG A 12 16.223 -5.021 15.919 1.00 3.12 N ATOM 174 NH2 ARG A 12 15.153 -6.717 14.804 1.00 24.33 N ATOM 0 HA ARG A 12 10.161 -4.297 18.670 1.00 2.10 H new ATOM 0 HB2 ARG A 12 12.828 -2.830 18.584 1.00 4.44 H new ATOM 0 HB3 ARG A 12 12.120 -3.556 20.014 1.00 4.44 H new ATOM 0 HG2 ARG A 12 13.140 -5.484 19.507 1.00 73.13 H new ATOM 0 HG3 ARG A 12 12.147 -5.611 18.068 1.00 73.13 H new ATOM 0 HD2 ARG A 12 14.088 -3.753 17.319 1.00 55.25 H new ATOM 0 HD3 ARG A 12 14.986 -4.864 18.333 1.00 55.25 H new ATOM 0 HE ARG A 12 13.357 -6.354 16.486 1.00 54.12 H new ATOM 0 HH11 ARG A 12 16.243 -4.330 16.669 1.00 3.12 H new ATOM 0 HH12 ARG A 12 17.010 -5.097 15.274 1.00 3.12 H new ATOM 0 HH21 ARG A 12 14.348 -7.334 14.695 1.00 24.33 H new ATOM 0 HH22 ARG A 12 15.942 -6.790 14.162 1.00 24.33 H new ATOM 188 N GLU A 13 10.622 -1.071 18.148 1.00 14.52 N ATOM 189 CA GLU A 13 10.116 0.255 18.486 1.00 24.02 C ATOM 190 C GLU A 13 8.637 0.379 18.134 1.00 51.51 C ATOM 191 O GLU A 13 7.949 1.282 18.609 1.00 34.15 O ATOM 192 CB GLU A 13 10.919 1.333 17.754 1.00 32.22 C ATOM 193 CG GLU A 13 11.715 2.235 18.682 1.00 35.15 C ATOM 194 CD GLU A 13 10.896 3.397 19.210 1.00 35.23 C ATOM 195 OE1 GLU A 13 9.749 3.165 19.648 1.00 43.11 O ATOM 196 OE2 GLU A 13 11.402 4.538 19.186 1.00 51.32 O ATOM 0 H GLU A 13 11.323 -1.080 17.407 1.00 14.52 H new ATOM 0 HA GLU A 13 10.228 0.396 19.561 1.00 24.02 H new ATOM 0 HB2 GLU A 13 11.602 0.852 17.054 1.00 32.22 H new ATOM 0 HB3 GLU A 13 10.236 1.945 17.164 1.00 32.22 H new ATOM 0 HG2 GLU A 13 12.089 1.648 19.521 1.00 35.15 H new ATOM 0 HG3 GLU A 13 12.585 2.620 18.150 1.00 35.15 H new ATOM 203 N ALA A 14 8.155 -0.533 17.296 1.00 23.35 N ATOM 204 CA ALA A 14 6.758 -0.527 16.881 1.00 22.30 C ATOM 205 C ALA A 14 5.843 -0.951 18.025 1.00 25.21 C ATOM 206 O ALA A 14 4.865 -0.271 18.336 1.00 11.31 O ATOM 207 CB ALA A 14 6.561 -1.439 15.679 1.00 30.43 C ATOM 0 H ALA A 14 8.712 -1.286 16.891 1.00 23.35 H new ATOM 0 HA ALA A 14 6.493 0.492 16.598 1.00 22.30 H new ATOM 0 HB1 ALA A 14 5.513 -1.425 15.380 1.00 30.43 H new ATOM 0 HB2 ALA A 14 7.179 -1.090 14.852 1.00 30.43 H new ATOM 0 HB3 ALA A 14 6.849 -2.456 15.943 1.00 30.43 H new ATOM 213 N LEU A 15 6.167 -2.079 18.648 1.00 31.00 N ATOM 214 CA LEU A 15 5.373 -2.595 19.758 1.00 4.53 C ATOM 215 C LEU A 15 5.379 -1.619 20.931 1.00 54.34 C ATOM 216 O LEU A 15 4.378 -1.471 21.634 1.00 41.23 O ATOM 217 CB LEU A 15 5.913 -3.953 20.209 1.00 74.33 C ATOM 218 CG LEU A 15 7.012 -3.921 21.271 1.00 11.41 C ATOM 219 CD1 LEU A 15 6.437 -4.231 22.644 1.00 14.02 C ATOM 220 CD2 LEU A 15 8.121 -4.902 20.921 1.00 1.12 C ATOM 0 H LEU A 15 6.974 -2.654 18.404 1.00 31.00 H new ATOM 0 HA LEU A 15 4.346 -2.715 19.413 1.00 4.53 H new ATOM 0 HB2 LEU A 15 5.081 -4.542 20.594 1.00 74.33 H new ATOM 0 HB3 LEU A 15 6.297 -4.477 19.334 1.00 74.33 H new ATOM 0 HG LEU A 15 7.437 -2.918 21.296 1.00 11.41 H new ATOM 0 HD11 LEU A 15 7.234 -4.204 23.387 1.00 14.02 H new ATOM 0 HD12 LEU A 15 5.679 -3.489 22.897 1.00 14.02 H new ATOM 0 HD13 LEU A 15 5.985 -5.223 22.634 1.00 14.02 H new ATOM 0 HD21 LEU A 15 8.895 -4.865 21.688 1.00 1.12 H new ATOM 0 HD22 LEU A 15 7.711 -5.910 20.867 1.00 1.12 H new ATOM 0 HD23 LEU A 15 8.553 -4.634 19.957 1.00 1.12 H new ATOM 232 N LEU A 16 6.510 -0.953 21.135 1.00 61.35 N ATOM 233 CA LEU A 16 6.645 0.011 22.221 1.00 43.34 C ATOM 234 C LEU A 16 5.827 1.267 21.939 1.00 52.14 C ATOM 235 O LEU A 16 5.165 1.801 22.829 1.00 40.23 O ATOM 236 CB LEU A 16 8.116 0.381 22.420 1.00 1.41 C ATOM 237 CG LEU A 16 9.100 -0.787 22.480 1.00 62.40 C ATOM 238 CD1 LEU A 16 10.503 -0.323 22.119 1.00 32.23 C ATOM 239 CD2 LEU A 16 9.086 -1.426 23.861 1.00 4.02 C ATOM 0 H LEU A 16 7.347 -1.063 20.562 1.00 61.35 H new ATOM 0 HA LEU A 16 6.266 -0.450 23.133 1.00 43.34 H new ATOM 0 HB2 LEU A 16 8.417 1.042 21.607 1.00 1.41 H new ATOM 0 HB3 LEU A 16 8.204 0.952 23.344 1.00 1.41 H new ATOM 0 HG LEU A 16 8.789 -1.536 21.752 1.00 62.40 H new ATOM 0 HD11 LEU A 16 11.189 -1.168 22.167 1.00 32.23 H new ATOM 0 HD12 LEU A 16 10.502 0.087 21.109 1.00 32.23 H new ATOM 0 HD13 LEU A 16 10.824 0.446 22.822 1.00 32.23 H new ATOM 0 HD21 LEU A 16 9.792 -2.256 23.885 1.00 4.02 H new ATOM 0 HD22 LEU A 16 9.371 -0.685 24.608 1.00 4.02 H new ATOM 0 HD23 LEU A 16 8.084 -1.796 24.081 1.00 4.02 H new ATOM 251 N TRP A 17 5.875 1.731 20.695 1.00 3.54 N ATOM 252 CA TRP A 17 5.136 2.924 20.296 1.00 62.33 C ATOM 253 C TRP A 17 3.648 2.622 20.161 1.00 72.43 C ATOM 254 O TRP A 17 2.805 3.482 20.414 1.00 22.12 O ATOM 255 CB TRP A 17 5.681 3.467 18.974 1.00 52.12 C ATOM 256 CG TRP A 17 5.303 4.895 18.717 1.00 35.54 C ATOM 257 CD1 TRP A 17 4.107 5.353 18.242 1.00 62.13 C ATOM 258 CD2 TRP A 17 6.125 6.049 18.921 1.00 33.23 C ATOM 259 NE1 TRP A 17 4.137 6.723 18.138 1.00 71.35 N ATOM 260 CE2 TRP A 17 5.363 7.174 18.549 1.00 30.22 C ATOM 261 CE3 TRP A 17 7.429 6.242 19.384 1.00 61.21 C ATOM 262 CZ2 TRP A 17 5.865 8.470 18.625 1.00 52.31 C ATOM 263 CZ3 TRP A 17 7.926 7.529 19.458 1.00 12.22 C ATOM 264 CH2 TRP A 17 7.145 8.630 19.081 1.00 20.02 C ATOM 0 H TRP A 17 6.417 1.300 19.946 1.00 3.54 H new ATOM 0 HA TRP A 17 5.265 3.679 21.072 1.00 62.33 H new ATOM 0 HB2 TRP A 17 6.768 3.381 18.974 1.00 52.12 H new ATOM 0 HB3 TRP A 17 5.312 2.848 18.156 1.00 52.12 H new ATOM 0 HD1 TRP A 17 3.262 4.730 17.986 1.00 62.13 H new ATOM 0 HE1 TRP A 17 3.370 7.309 17.808 1.00 71.35 H new ATOM 0 HE3 TRP A 17 8.038 5.400 19.679 1.00 61.21 H new ATOM 0 HZ2 TRP A 17 5.265 9.320 18.334 1.00 52.31 H new ATOM 0 HZ3 TRP A 17 8.934 7.689 19.812 1.00 12.22 H new ATOM 0 HH2 TRP A 17 7.562 9.624 19.152 1.00 20.02 H new ATOM 275 N ALA A 18 3.331 1.395 19.760 1.00 23.43 N ATOM 276 CA ALA A 18 1.944 0.979 19.594 1.00 0.22 C ATOM 277 C ALA A 18 1.276 0.743 20.945 1.00 42.14 C ATOM 278 O ALA A 18 0.321 1.432 21.306 1.00 43.44 O ATOM 279 CB ALA A 18 1.868 -0.277 18.739 1.00 51.32 C ATOM 0 H ALA A 18 4.017 0.671 19.544 1.00 23.43 H new ATOM 0 HA ALA A 18 1.408 1.782 19.088 1.00 0.22 H new ATOM 0 HB1 ALA A 18 0.826 -0.576 18.624 1.00 51.32 H new ATOM 0 HB2 ALA A 18 2.299 -0.076 17.758 1.00 51.32 H new ATOM 0 HB3 ALA A 18 2.425 -1.080 19.222 1.00 51.32 H new ATOM 285 N LEU A 19 1.783 -0.235 21.687 1.00 42.10 N ATOM 286 CA LEU A 19 1.235 -0.563 22.999 1.00 40.34 C ATOM 287 C LEU A 19 1.152 0.679 23.880 1.00 2.30 C ATOM 288 O LEU A 19 0.325 0.754 24.789 1.00 61.14 O ATOM 289 CB LEU A 19 2.094 -1.629 23.680 1.00 30.40 C ATOM 290 CG LEU A 19 3.422 -1.148 24.265 1.00 23.42 C ATOM 291 CD1 LEU A 19 3.206 -0.516 25.631 1.00 21.44 C ATOM 292 CD2 LEU A 19 4.412 -2.300 24.359 1.00 20.50 C ATOM 0 H LEU A 19 2.573 -0.815 21.403 1.00 42.10 H new ATOM 0 HA LEU A 19 0.227 -0.953 22.858 1.00 40.34 H new ATOM 0 HB2 LEU A 19 1.509 -2.081 24.481 1.00 30.40 H new ATOM 0 HB3 LEU A 19 2.303 -2.416 22.955 1.00 30.40 H new ATOM 0 HG LEU A 19 3.837 -0.392 23.599 1.00 23.42 H new ATOM 0 HD11 LEU A 19 4.162 -0.180 26.032 1.00 21.44 H new ATOM 0 HD12 LEU A 19 2.533 0.336 25.535 1.00 21.44 H new ATOM 0 HD13 LEU A 19 2.768 -1.251 26.307 1.00 21.44 H new ATOM 0 HD21 LEU A 19 5.352 -1.939 24.778 1.00 20.50 H new ATOM 0 HD22 LEU A 19 4.004 -3.079 25.003 1.00 20.50 H new ATOM 0 HD23 LEU A 19 4.591 -2.708 23.364 1.00 20.50 H new ATOM 304 N SER A 20 2.014 1.653 23.604 1.00 54.32 N ATOM 305 CA SER A 20 2.039 2.892 24.373 1.00 40.13 C ATOM 306 C SER A 20 1.118 3.937 23.750 1.00 30.10 C ATOM 307 O SER A 20 0.702 4.888 24.413 1.00 61.45 O ATOM 308 CB SER A 20 3.466 3.437 24.454 1.00 41.40 C ATOM 309 OG SER A 20 3.862 4.017 23.223 1.00 74.23 O ATOM 0 H SER A 20 2.704 1.608 22.854 1.00 54.32 H new ATOM 0 HA SER A 20 1.683 2.673 25.380 1.00 40.13 H new ATOM 0 HB2 SER A 20 3.530 4.182 25.247 1.00 41.40 H new ATOM 0 HB3 SER A 20 4.152 2.632 24.717 1.00 41.40 H new ATOM 0 HG SER A 20 4.259 3.328 22.650 1.00 74.23 H new ATOM 315 N ASP A 21 0.804 3.753 22.473 1.00 73.15 N ATOM 316 CA ASP A 21 -0.069 4.678 21.759 1.00 40.11 C ATOM 317 C ASP A 21 -1.487 4.628 22.318 1.00 14.12 C ATOM 318 O ASP A 21 -2.315 5.490 22.019 1.00 60.01 O ATOM 319 CB ASP A 21 -0.084 4.349 20.265 1.00 34.14 C ATOM 320 CG ASP A 21 -1.105 5.170 19.502 1.00 2.20 C ATOM 321 OD1 ASP A 21 -2.290 4.776 19.485 1.00 45.44 O ATOM 322 OD2 ASP A 21 -0.718 6.206 18.921 1.00 14.43 O ATOM 0 H ASP A 21 1.141 2.972 21.910 1.00 73.15 H new ATOM 0 HA ASP A 21 0.321 5.686 21.897 1.00 40.11 H new ATOM 0 HB2 ASP A 21 0.907 4.527 19.847 1.00 34.14 H new ATOM 0 HB3 ASP A 21 -0.301 3.289 20.131 1.00 34.14 H new ATOM 327 N LEU A 22 -1.762 3.614 23.131 1.00 60.44 N ATOM 328 CA LEU A 22 -3.081 3.450 23.731 1.00 12.05 C ATOM 329 C LEU A 22 -3.046 3.779 25.220 1.00 1.14 C ATOM 330 O LEU A 22 -1.985 3.763 25.844 1.00 52.21 O ATOM 331 CB LEU A 22 -3.583 2.020 23.525 1.00 34.13 C ATOM 332 CG LEU A 22 -2.511 0.931 23.483 1.00 45.34 C ATOM 333 CD1 LEU A 22 -2.943 -0.276 24.300 1.00 64.33 C ATOM 334 CD2 LEU A 22 -2.217 0.528 22.045 1.00 32.40 C ATOM 0 H LEU A 22 -1.089 2.893 23.390 1.00 60.44 H new ATOM 0 HA LEU A 22 -3.765 4.143 23.240 1.00 12.05 H new ATOM 0 HB2 LEU A 22 -4.282 1.783 24.327 1.00 34.13 H new ATOM 0 HB3 LEU A 22 -4.145 1.985 22.592 1.00 34.13 H new ATOM 0 HG LEU A 22 -1.597 1.331 23.921 1.00 45.34 H new ATOM 0 HD11 LEU A 22 -2.167 -1.040 24.258 1.00 64.33 H new ATOM 0 HD12 LEU A 22 -3.101 0.024 25.336 1.00 64.33 H new ATOM 0 HD13 LEU A 22 -3.871 -0.678 23.893 1.00 64.33 H new ATOM 0 HD21 LEU A 22 -1.452 -0.248 22.034 1.00 32.40 H new ATOM 0 HD22 LEU A 22 -3.127 0.147 21.581 1.00 32.40 H new ATOM 0 HD23 LEU A 22 -1.862 1.396 21.489 1.00 32.40 H new ATOM 346 N GLU A 23 -4.213 4.075 25.784 1.00 72.22 N ATOM 347 CA GLU A 23 -4.315 4.406 27.200 1.00 21.02 C ATOM 348 C GLU A 23 -4.044 3.179 28.067 1.00 43.44 C ATOM 349 O GLU A 23 -4.236 2.045 27.631 1.00 71.12 O ATOM 350 CB GLU A 23 -5.701 4.971 27.516 1.00 33.14 C ATOM 351 CG GLU A 23 -5.932 6.365 26.958 1.00 12.14 C ATOM 352 CD GLU A 23 -7.365 6.832 27.129 1.00 3.14 C ATOM 353 OE1 GLU A 23 -8.263 6.238 26.497 1.00 45.24 O ATOM 354 OE2 GLU A 23 -7.588 7.792 27.897 1.00 65.12 O ATOM 0 H GLU A 23 -5.101 4.092 25.282 1.00 72.22 H new ATOM 0 HA GLU A 23 -3.562 5.162 27.425 1.00 21.02 H new ATOM 0 HB2 GLU A 23 -6.459 4.298 27.114 1.00 33.14 H new ATOM 0 HB3 GLU A 23 -5.837 4.995 28.597 1.00 33.14 H new ATOM 0 HG2 GLU A 23 -5.263 7.067 27.456 1.00 12.14 H new ATOM 0 HG3 GLU A 23 -5.674 6.376 25.899 1.00 12.14 H new ATOM 361 N GLU A 24 -3.595 3.417 29.295 1.00 12.32 N ATOM 362 CA GLU A 24 -3.296 2.332 30.222 1.00 12.01 C ATOM 363 C GLU A 24 -4.543 1.499 30.505 1.00 12.44 C ATOM 364 O GLU A 24 -4.462 0.287 30.699 1.00 11.45 O ATOM 365 CB GLU A 24 -2.734 2.890 31.531 1.00 22.11 C ATOM 366 CG GLU A 24 -3.606 3.964 32.160 1.00 60.33 C ATOM 367 CD GLU A 24 -2.917 5.313 32.221 1.00 23.14 C ATOM 368 OE1 GLU A 24 -1.717 5.350 32.566 1.00 0.35 O ATOM 369 OE2 GLU A 24 -3.576 6.331 31.925 1.00 34.12 O ATOM 0 H GLU A 24 -3.430 4.351 29.671 1.00 12.32 H new ATOM 0 HA GLU A 24 -2.548 1.689 29.759 1.00 12.01 H new ATOM 0 HB2 GLU A 24 -2.611 2.072 32.241 1.00 22.11 H new ATOM 0 HB3 GLU A 24 -1.742 3.302 31.344 1.00 22.11 H new ATOM 0 HG2 GLU A 24 -4.530 4.057 31.589 1.00 60.33 H new ATOM 0 HG3 GLU A 24 -3.884 3.656 33.168 1.00 60.33 H new ATOM 376 N ASN A 25 -5.696 2.160 30.528 1.00 52.20 N ATOM 377 CA ASN A 25 -6.961 1.482 30.789 1.00 42.22 C ATOM 378 C ASN A 25 -7.398 0.662 29.579 1.00 64.30 C ATOM 379 O ASN A 25 -8.480 0.074 29.572 1.00 3.43 O ATOM 380 CB ASN A 25 -8.045 2.501 31.147 1.00 71.51 C ATOM 381 CG ASN A 25 -7.630 3.411 32.287 1.00 63.44 C ATOM 382 OD1 ASN A 25 -7.204 4.545 32.067 1.00 72.34 O ATOM 383 ND2 ASN A 25 -7.752 2.916 33.513 1.00 45.01 N ATOM 0 H ASN A 25 -5.781 3.164 30.369 1.00 52.20 H new ATOM 0 HA ASN A 25 -6.815 0.805 31.631 1.00 42.22 H new ATOM 0 HB2 ASN A 25 -8.276 3.105 30.269 1.00 71.51 H new ATOM 0 HB3 ASN A 25 -8.959 1.974 31.421 1.00 71.51 H new ATOM 0 HD21 ASN A 25 -7.488 3.481 34.320 1.00 45.01 H new ATOM 0 HD22 ASN A 25 -8.110 1.970 33.648 1.00 45.01 H new ATOM 390 N ASP A 26 -6.549 0.626 28.558 1.00 63.41 N ATOM 391 CA ASP A 26 -6.846 -0.124 27.343 1.00 64.12 C ATOM 392 C ASP A 26 -5.920 -1.329 27.208 1.00 44.02 C ATOM 393 O ASP A 26 -6.376 -2.462 27.058 1.00 74.45 O ATOM 394 CB ASP A 26 -6.711 0.778 26.115 1.00 2.44 C ATOM 395 CG ASP A 26 -7.739 1.893 26.101 1.00 65.25 C ATOM 396 OD1 ASP A 26 -7.943 2.525 27.158 1.00 44.13 O ATOM 397 OD2 ASP A 26 -8.339 2.132 25.032 1.00 54.10 O ATOM 0 H ASP A 26 -5.650 1.107 28.547 1.00 63.41 H new ATOM 0 HA ASP A 26 -7.873 -0.483 27.409 1.00 64.12 H new ATOM 0 HB2 ASP A 26 -5.710 1.210 26.093 1.00 2.44 H new ATOM 0 HB3 ASP A 26 -6.819 0.177 25.212 1.00 2.44 H new ATOM 402 N PHE A 27 -4.616 -1.076 27.261 1.00 12.14 N ATOM 403 CA PHE A 27 -3.625 -2.139 27.143 1.00 34.40 C ATOM 404 C PHE A 27 -3.696 -3.084 28.340 1.00 44.34 C ATOM 405 O PHE A 27 -3.551 -4.298 28.197 1.00 74.05 O ATOM 406 CB PHE A 27 -2.220 -1.546 27.029 1.00 1.42 C ATOM 407 CG PHE A 27 -1.284 -2.009 28.109 1.00 71.32 C ATOM 408 CD1 PHE A 27 -1.189 -1.318 29.306 1.00 53.03 C ATOM 409 CD2 PHE A 27 -0.499 -3.136 27.926 1.00 22.22 C ATOM 410 CE1 PHE A 27 -0.329 -1.742 30.301 1.00 35.14 C ATOM 411 CE2 PHE A 27 0.362 -3.565 28.918 1.00 24.23 C ATOM 412 CZ PHE A 27 0.448 -2.867 30.107 1.00 42.32 C ATOM 0 H PHE A 27 -4.221 -0.144 27.385 1.00 12.14 H new ATOM 0 HA PHE A 27 -3.845 -2.708 26.240 1.00 34.40 H new ATOM 0 HB2 PHE A 27 -1.801 -1.810 26.058 1.00 1.42 H new ATOM 0 HB3 PHE A 27 -2.290 -0.459 27.061 1.00 1.42 H new ATOM 0 HD1 PHE A 27 -1.794 -0.437 29.463 1.00 53.03 H new ATOM 0 HD2 PHE A 27 -0.561 -3.685 26.998 1.00 22.22 H new ATOM 0 HE1 PHE A 27 -0.265 -1.194 31.229 1.00 35.14 H new ATOM 0 HE2 PHE A 27 0.968 -4.446 28.764 1.00 24.23 H new ATOM 0 HZ PHE A 27 1.121 -3.200 30.883 1.00 42.32 H new ATOM 422 N LYS A 28 -3.917 -2.517 29.521 1.00 55.24 N ATOM 423 CA LYS A 28 -4.008 -3.306 30.744 1.00 42.44 C ATOM 424 C LYS A 28 -5.190 -4.268 30.684 1.00 24.22 C ATOM 425 O LYS A 28 -5.086 -5.422 31.101 1.00 63.01 O ATOM 426 CB LYS A 28 -4.146 -2.386 31.959 1.00 20.10 C ATOM 427 CG LYS A 28 -4.228 -3.132 33.280 1.00 53.23 C ATOM 428 CD LYS A 28 -2.917 -3.059 34.044 1.00 61.33 C ATOM 429 CE LYS A 28 -2.569 -4.396 34.681 1.00 45.21 C ATOM 430 NZ LYS A 28 -1.127 -4.731 34.514 1.00 11.21 N ATOM 0 H LYS A 28 -4.037 -1.513 29.657 1.00 55.24 H new ATOM 0 HA LYS A 28 -3.092 -3.889 30.840 1.00 42.44 H new ATOM 0 HB2 LYS A 28 -3.295 -1.706 31.988 1.00 20.10 H new ATOM 0 HB3 LYS A 28 -5.040 -1.774 31.841 1.00 20.10 H new ATOM 0 HG2 LYS A 28 -5.028 -2.710 33.888 1.00 53.23 H new ATOM 0 HG3 LYS A 28 -4.484 -4.175 33.095 1.00 53.23 H new ATOM 0 HD2 LYS A 28 -2.117 -2.757 33.368 1.00 61.33 H new ATOM 0 HD3 LYS A 28 -2.987 -2.294 34.817 1.00 61.33 H new ATOM 0 HE2 LYS A 28 -2.815 -4.368 35.743 1.00 45.21 H new ATOM 0 HE3 LYS A 28 -3.179 -5.181 34.234 1.00 45.21 H new ATOM 0 HZ1 LYS A 28 -0.930 -5.649 34.961 1.00 11.21 H new ATOM 0 HZ2 LYS A 28 -0.898 -4.783 33.501 1.00 11.21 H new ATOM 0 HZ3 LYS A 28 -0.545 -3.995 34.963 1.00 11.21 H new ATOM 444 N LYS A 29 -6.313 -3.787 30.162 1.00 21.14 N ATOM 445 CA LYS A 29 -7.514 -4.605 30.045 1.00 13.12 C ATOM 446 C LYS A 29 -7.242 -5.857 29.217 1.00 1.42 C ATOM 447 O LYS A 29 -7.775 -6.930 29.502 1.00 54.24 O ATOM 448 CB LYS A 29 -8.647 -3.796 29.409 1.00 42.03 C ATOM 449 CG LYS A 29 -9.799 -3.513 30.357 1.00 52.43 C ATOM 450 CD LYS A 29 -9.415 -2.488 31.411 1.00 51.33 C ATOM 451 CE LYS A 29 -10.643 -1.883 32.074 1.00 72.21 C ATOM 452 NZ LYS A 29 -11.199 -2.775 33.129 1.00 1.45 N ATOM 0 H LYS A 29 -6.416 -2.834 29.813 1.00 21.14 H new ATOM 0 HA LYS A 29 -7.813 -4.912 31.047 1.00 13.12 H new ATOM 0 HB2 LYS A 29 -8.246 -2.850 29.045 1.00 42.03 H new ATOM 0 HB3 LYS A 29 -9.026 -4.337 28.542 1.00 42.03 H new ATOM 0 HG2 LYS A 29 -10.657 -3.150 29.791 1.00 52.43 H new ATOM 0 HG3 LYS A 29 -10.107 -4.439 30.843 1.00 52.43 H new ATOM 0 HD2 LYS A 29 -8.787 -2.960 32.167 1.00 51.33 H new ATOM 0 HD3 LYS A 29 -8.821 -1.697 30.952 1.00 51.33 H new ATOM 0 HE2 LYS A 29 -10.382 -0.920 32.513 1.00 72.21 H new ATOM 0 HE3 LYS A 29 -11.406 -1.693 31.320 1.00 72.21 H new ATOM 0 HZ1 LYS A 29 -12.035 -2.328 33.557 1.00 1.45 H new ATOM 0 HZ2 LYS A 29 -11.472 -3.685 32.706 1.00 1.45 H new ATOM 0 HZ3 LYS A 29 -10.479 -2.936 33.862 1.00 1.45 H new ATOM 466 N LEU A 30 -6.408 -5.713 28.193 1.00 0.02 N ATOM 467 CA LEU A 30 -6.063 -6.833 27.324 1.00 12.03 C ATOM 468 C LEU A 30 -5.097 -7.786 28.022 1.00 54.24 C ATOM 469 O LEU A 30 -5.353 -8.986 28.117 1.00 31.34 O ATOM 470 CB LEU A 30 -5.443 -6.322 26.023 1.00 61.13 C ATOM 471 CG LEU A 30 -5.863 -4.919 25.584 1.00 12.24 C ATOM 472 CD1 LEU A 30 -5.239 -4.569 24.242 1.00 30.43 C ATOM 473 CD2 LEU A 30 -7.380 -4.814 25.513 1.00 64.21 C ATOM 0 H LEU A 30 -5.958 -4.832 27.944 1.00 0.02 H new ATOM 0 HA LEU A 30 -6.978 -7.378 27.093 1.00 12.03 H new ATOM 0 HB2 LEU A 30 -4.358 -6.338 26.130 1.00 61.13 H new ATOM 0 HB3 LEU A 30 -5.695 -7.021 25.225 1.00 61.13 H new ATOM 0 HG LEU A 30 -5.503 -4.205 26.325 1.00 12.24 H new ATOM 0 HD11 LEU A 30 -5.550 -3.567 23.947 1.00 30.43 H new ATOM 0 HD12 LEU A 30 -4.153 -4.602 24.326 1.00 30.43 H new ATOM 0 HD13 LEU A 30 -5.567 -5.287 23.490 1.00 30.43 H new ATOM 0 HD21 LEU A 30 -7.661 -3.809 25.199 1.00 64.21 H new ATOM 0 HD22 LEU A 30 -7.762 -5.539 24.794 1.00 64.21 H new ATOM 0 HD23 LEU A 30 -7.805 -5.019 26.495 1.00 64.21 H new ATOM 485 N LYS A 31 -3.987 -7.243 28.509 1.00 13.53 N ATOM 486 CA LYS A 31 -2.984 -8.042 29.202 1.00 63.35 C ATOM 487 C LYS A 31 -3.584 -8.729 30.424 1.00 3.34 C ATOM 488 O LYS A 31 -3.109 -9.781 30.853 1.00 14.22 O ATOM 489 CB LYS A 31 -1.804 -7.164 29.624 1.00 12.52 C ATOM 490 CG LYS A 31 -0.990 -6.635 28.456 1.00 55.52 C ATOM 491 CD LYS A 31 -0.497 -7.762 27.565 1.00 44.35 C ATOM 492 CE LYS A 31 0.447 -7.248 26.488 1.00 24.21 C ATOM 493 NZ LYS A 31 1.534 -8.222 26.193 1.00 62.43 N ATOM 0 H LYS A 31 -3.759 -6.251 28.436 1.00 13.53 H new ATOM 0 HA LYS A 31 -2.629 -8.810 28.514 1.00 63.35 H new ATOM 0 HB2 LYS A 31 -2.179 -6.322 30.206 1.00 12.52 H new ATOM 0 HB3 LYS A 31 -1.151 -7.739 30.280 1.00 12.52 H new ATOM 0 HG2 LYS A 31 -1.598 -5.946 27.870 1.00 55.52 H new ATOM 0 HG3 LYS A 31 -0.138 -6.068 28.832 1.00 55.52 H new ATOM 0 HD2 LYS A 31 0.014 -8.510 28.171 1.00 44.35 H new ATOM 0 HD3 LYS A 31 -1.348 -8.257 27.098 1.00 44.35 H new ATOM 0 HE2 LYS A 31 -0.117 -7.046 25.577 1.00 24.21 H new ATOM 0 HE3 LYS A 31 0.884 -6.302 26.809 1.00 24.21 H new ATOM 0 HZ1 LYS A 31 2.364 -7.715 25.824 1.00 62.43 H new ATOM 0 HZ2 LYS A 31 1.795 -8.726 27.065 1.00 62.43 H new ATOM 0 HZ3 LYS A 31 1.203 -8.907 25.483 1.00 62.43 H new ATOM 507 N PHE A 32 -4.630 -8.127 30.981 1.00 70.41 N ATOM 508 CA PHE A 32 -5.295 -8.681 32.154 1.00 32.54 C ATOM 509 C PHE A 32 -5.987 -9.999 31.816 1.00 14.40 C ATOM 510 O PHE A 32 -5.848 -10.988 32.535 1.00 61.40 O ATOM 511 CB PHE A 32 -6.315 -7.684 32.707 1.00 11.24 C ATOM 512 CG PHE A 32 -7.167 -8.246 33.809 1.00 75.23 C ATOM 513 CD1 PHE A 32 -6.593 -8.933 34.866 1.00 45.20 C ATOM 514 CD2 PHE A 32 -8.544 -8.089 33.786 1.00 0.24 C ATOM 515 CE1 PHE A 32 -7.374 -9.451 35.881 1.00 30.33 C ATOM 516 CE2 PHE A 32 -9.330 -8.605 34.799 1.00 14.30 C ATOM 517 CZ PHE A 32 -8.745 -9.288 35.847 1.00 0.21 C ATOM 0 H PHE A 32 -5.035 -7.256 30.639 1.00 70.41 H new ATOM 0 HA PHE A 32 -4.537 -8.873 32.913 1.00 32.54 H new ATOM 0 HB2 PHE A 32 -5.788 -6.805 33.079 1.00 11.24 H new ATOM 0 HB3 PHE A 32 -6.960 -7.349 31.895 1.00 11.24 H new ATOM 0 HD1 PHE A 32 -5.522 -9.065 34.897 1.00 45.20 H new ATOM 0 HD2 PHE A 32 -9.008 -7.558 32.968 1.00 0.24 H new ATOM 0 HE1 PHE A 32 -6.913 -9.983 36.700 1.00 30.33 H new ATOM 0 HE2 PHE A 32 -10.402 -8.474 34.771 1.00 14.30 H new ATOM 0 HZ PHE A 32 -9.358 -9.694 36.638 1.00 0.21 H new ATOM 527 N TYR A 33 -6.734 -10.002 30.717 1.00 21.34 N ATOM 528 CA TYR A 33 -7.451 -11.196 30.284 1.00 2.24 C ATOM 529 C TYR A 33 -6.649 -11.963 29.237 1.00 54.53 C ATOM 530 O TYR A 33 -6.376 -13.153 29.396 1.00 61.05 O ATOM 531 CB TYR A 33 -8.820 -10.817 29.718 1.00 12.43 C ATOM 532 CG TYR A 33 -9.602 -11.995 29.184 1.00 32.31 C ATOM 533 CD1 TYR A 33 -10.244 -12.876 30.046 1.00 12.11 C ATOM 534 CD2 TYR A 33 -9.698 -12.229 27.818 1.00 72.00 C ATOM 535 CE1 TYR A 33 -10.959 -13.955 29.563 1.00 53.32 C ATOM 536 CE2 TYR A 33 -10.412 -13.304 27.326 1.00 72.23 C ATOM 537 CZ TYR A 33 -11.041 -14.164 28.202 1.00 62.30 C ATOM 538 OH TYR A 33 -11.752 -15.237 27.716 1.00 62.34 O ATOM 0 H TYR A 33 -6.859 -9.192 30.110 1.00 21.34 H new ATOM 0 HA TYR A 33 -7.590 -11.840 31.152 1.00 2.24 H new ATOM 0 HB2 TYR A 33 -9.403 -10.328 30.498 1.00 12.43 H new ATOM 0 HB3 TYR A 33 -8.684 -10.089 28.918 1.00 12.43 H new ATOM 0 HD1 TYR A 33 -10.183 -12.714 31.112 1.00 12.11 H new ATOM 0 HD2 TYR A 33 -9.206 -11.559 27.129 1.00 72.00 H new ATOM 0 HE1 TYR A 33 -11.451 -14.631 30.247 1.00 53.32 H new ATOM 0 HE2 TYR A 33 -10.477 -13.470 26.261 1.00 72.23 H new ATOM 0 HH TYR A 33 -11.711 -15.240 26.737 1.00 62.34 H new ATOM 548 N LEU A 34 -6.275 -11.272 28.166 1.00 52.44 N ATOM 549 CA LEU A 34 -5.504 -11.885 27.090 1.00 20.52 C ATOM 550 C LEU A 34 -4.266 -12.586 27.640 1.00 65.14 C ATOM 551 O LEU A 34 -4.077 -13.785 27.436 1.00 60.55 O ATOM 552 CB LEU A 34 -5.093 -10.829 26.064 1.00 42.35 C ATOM 553 CG LEU A 34 -5.440 -11.137 24.607 1.00 61.43 C ATOM 554 CD1 LEU A 34 -6.929 -10.950 24.362 1.00 71.24 C ATOM 555 CD2 LEU A 34 -4.628 -10.258 23.667 1.00 11.31 C ATOM 0 H LEU A 34 -6.493 -10.286 28.019 1.00 52.44 H new ATOM 0 HA LEU A 34 -6.134 -12.629 26.602 1.00 20.52 H new ATOM 0 HB2 LEU A 34 -5.563 -9.884 26.337 1.00 42.35 H new ATOM 0 HB3 LEU A 34 -4.016 -10.681 26.136 1.00 42.35 H new ATOM 0 HG LEU A 34 -5.188 -12.178 24.406 1.00 61.43 H new ATOM 0 HD11 LEU A 34 -7.157 -11.174 23.320 1.00 71.24 H new ATOM 0 HD12 LEU A 34 -7.492 -11.623 25.009 1.00 71.24 H new ATOM 0 HD13 LEU A 34 -7.207 -9.919 24.581 1.00 71.24 H new ATOM 0 HD21 LEU A 34 -4.888 -10.491 22.635 1.00 11.31 H new ATOM 0 HD22 LEU A 34 -4.848 -9.210 23.868 1.00 11.31 H new ATOM 0 HD23 LEU A 34 -3.565 -10.442 23.824 1.00 11.31 H new ATOM 567 N ARG A 35 -3.426 -11.830 28.339 1.00 24.10 N ATOM 568 CA ARG A 35 -2.206 -12.379 28.919 1.00 42.20 C ATOM 569 C ARG A 35 -2.530 -13.472 29.933 1.00 62.22 C ATOM 570 O ARG A 35 -1.865 -14.507 29.978 1.00 30.41 O ATOM 571 CB ARG A 35 -1.392 -11.271 29.590 1.00 23.12 C ATOM 572 CG ARG A 35 0.088 -11.309 29.245 1.00 1.54 C ATOM 573 CD ARG A 35 0.941 -11.565 30.478 1.00 70.41 C ATOM 574 NE ARG A 35 1.638 -10.361 30.922 1.00 62.33 N ATOM 575 CZ ARG A 35 2.560 -10.356 31.878 1.00 65.33 C ATOM 576 NH1 ARG A 35 2.895 -11.486 32.487 1.00 40.45 N ATOM 577 NH2 ARG A 35 3.151 -9.220 32.226 1.00 34.10 N ATOM 0 H ARG A 35 -3.568 -10.836 28.518 1.00 24.10 H new ATOM 0 HA ARG A 35 -1.616 -12.818 28.114 1.00 42.20 H new ATOM 0 HB2 ARG A 35 -1.800 -10.304 29.297 1.00 23.12 H new ATOM 0 HB3 ARG A 35 -1.507 -11.351 30.671 1.00 23.12 H new ATOM 0 HG2 ARG A 35 0.271 -12.090 28.506 1.00 1.54 H new ATOM 0 HG3 ARG A 35 0.381 -10.363 28.789 1.00 1.54 H new ATOM 0 HD2 ARG A 35 0.309 -11.936 31.285 1.00 70.41 H new ATOM 0 HD3 ARG A 35 1.670 -12.345 30.259 1.00 70.41 H new ATOM 0 HE ARG A 35 1.404 -9.475 30.473 1.00 62.33 H new ATOM 0 HH11 ARG A 35 2.444 -12.362 32.221 1.00 40.45 H new ATOM 0 HH12 ARG A 35 3.603 -11.479 33.221 1.00 40.45 H new ATOM 0 HH21 ARG A 35 2.897 -8.349 31.759 1.00 34.10 H new ATOM 0 HH22 ARG A 35 3.859 -9.218 32.960 1.00 34.10 H new ATOM 591 N ASP A 36 -3.554 -13.234 30.744 1.00 35.41 N ATOM 592 CA ASP A 36 -3.967 -14.199 31.757 1.00 13.32 C ATOM 593 C ASP A 36 -4.043 -15.605 31.170 1.00 15.31 C ATOM 594 O ASP A 36 -3.519 -16.557 31.746 1.00 61.41 O ATOM 595 CB ASP A 36 -5.323 -13.804 32.345 1.00 20.02 C ATOM 596 CG ASP A 36 -5.214 -13.321 33.778 1.00 31.42 C ATOM 597 OD1 ASP A 36 -4.333 -12.482 34.056 1.00 42.43 O ATOM 598 OD2 ASP A 36 -6.010 -13.784 34.623 1.00 62.24 O ATOM 0 H ASP A 36 -4.114 -12.382 30.720 1.00 35.41 H new ATOM 0 HA ASP A 36 -3.221 -14.197 32.551 1.00 13.32 H new ATOM 0 HB2 ASP A 36 -5.766 -13.019 31.733 1.00 20.02 H new ATOM 0 HB3 ASP A 36 -5.997 -14.660 32.303 1.00 20.02 H new ATOM 603 N MET A 37 -4.701 -15.726 30.022 1.00 51.04 N ATOM 604 CA MET A 37 -4.846 -17.016 29.357 1.00 44.12 C ATOM 605 C MET A 37 -3.677 -17.274 28.411 1.00 22.23 C ATOM 606 O MET A 37 -2.889 -18.197 28.619 1.00 64.40 O ATOM 607 CB MET A 37 -6.164 -17.070 28.583 1.00 13.00 C ATOM 608 CG MET A 37 -7.393 -16.932 29.467 1.00 55.44 C ATOM 609 SD MET A 37 -8.911 -17.429 28.629 1.00 43.23 S ATOM 610 CE MET A 37 -10.124 -17.109 29.907 1.00 22.21 C ATOM 0 H MET A 37 -5.142 -14.947 29.533 1.00 51.04 H new ATOM 0 HA MET A 37 -4.850 -17.792 30.122 1.00 44.12 H new ATOM 0 HB2 MET A 37 -6.171 -16.275 27.838 1.00 13.00 H new ATOM 0 HB3 MET A 37 -6.220 -18.014 28.042 1.00 13.00 H new ATOM 0 HG2 MET A 37 -7.262 -17.539 30.363 1.00 55.44 H new ATOM 0 HG3 MET A 37 -7.486 -15.897 29.795 1.00 55.44 H new ATOM 0 HE1 MET A 37 -11.090 -16.898 29.447 1.00 22.21 H new ATOM 0 HE2 MET A 37 -10.213 -17.983 30.552 1.00 22.21 H new ATOM 0 HE3 MET A 37 -9.809 -16.251 30.501 1.00 22.21 H new ATOM 620 N THR A 38 -3.570 -16.453 27.371 1.00 31.21 N ATOM 621 CA THR A 38 -2.499 -16.594 26.393 1.00 3.11 C ATOM 622 C THR A 38 -1.159 -16.838 27.077 1.00 25.31 C ATOM 623 O THR A 38 -0.509 -17.859 26.847 1.00 74.53 O ATOM 624 CB THR A 38 -2.386 -15.344 25.500 1.00 61.12 C ATOM 625 OG1 THR A 38 -2.000 -14.212 26.287 1.00 33.14 O ATOM 626 CG2 THR A 38 -3.707 -15.057 24.802 1.00 3.40 C ATOM 0 H THR A 38 -4.213 -15.683 27.185 1.00 31.21 H new ATOM 0 HA THR A 38 -2.749 -17.454 25.772 1.00 3.11 H new ATOM 0 HB THR A 38 -1.626 -15.534 24.742 1.00 61.12 H new ATOM 0 HG1 THR A 38 -2.603 -14.127 27.055 1.00 33.14 H new ATOM 0 HG21 THR A 38 -3.603 -14.170 24.177 1.00 3.40 H new ATOM 0 HG22 THR A 38 -3.983 -15.909 24.180 1.00 3.40 H new ATOM 0 HG23 THR A 38 -4.483 -14.886 25.548 1.00 3.40 H new ATOM 634 N LEU A 39 -0.749 -15.896 27.920 1.00 72.44 N ATOM 635 CA LEU A 39 0.515 -16.010 28.639 1.00 71.02 C ATOM 636 C LEU A 39 0.292 -16.537 30.052 1.00 34.55 C ATOM 637 O LEU A 39 -0.836 -16.844 30.441 1.00 64.15 O ATOM 638 CB LEU A 39 1.217 -14.652 28.694 1.00 71.01 C ATOM 639 CG LEU A 39 1.886 -14.189 27.399 1.00 32.20 C ATOM 640 CD1 LEU A 39 0.839 -13.789 26.371 1.00 60.10 C ATOM 641 CD2 LEU A 39 2.836 -13.033 27.673 1.00 11.34 C ATOM 0 H LEU A 39 -1.274 -15.045 28.122 1.00 72.44 H new ATOM 0 HA LEU A 39 1.147 -16.718 28.103 1.00 71.02 H new ATOM 0 HB2 LEU A 39 0.486 -13.900 28.991 1.00 71.01 H new ATOM 0 HB3 LEU A 39 1.974 -14.688 29.478 1.00 71.01 H new ATOM 0 HG LEU A 39 2.464 -15.020 26.994 1.00 32.20 H new ATOM 0 HD11 LEU A 39 1.333 -13.462 25.456 1.00 60.10 H new ATOM 0 HD12 LEU A 39 0.199 -14.644 26.152 1.00 60.10 H new ATOM 0 HD13 LEU A 39 0.233 -12.974 26.767 1.00 60.10 H new ATOM 0 HD21 LEU A 39 3.303 -12.717 26.740 1.00 11.34 H new ATOM 0 HD22 LEU A 39 2.280 -12.199 28.102 1.00 11.34 H new ATOM 0 HD23 LEU A 39 3.607 -13.354 28.374 1.00 11.34 H new ATOM 784 N GLY A 49 0.524 3.618 35.921 1.00 33.44 N ATOM 785 CA GLY A 49 1.788 4.308 35.743 1.00 73.33 C ATOM 786 C GLY A 49 2.842 3.429 35.099 1.00 0.20 C ATOM 787 O GLY A 49 3.966 3.870 34.863 1.00 3.24 O ATOM 0 HA2 GLY A 49 1.632 5.193 35.127 1.00 73.33 H new ATOM 0 HA3 GLY A 49 2.150 4.653 36.712 1.00 73.33 H new ATOM 791 N GLU A 50 2.479 2.182 34.816 1.00 53.23 N ATOM 792 CA GLU A 50 3.404 1.239 34.198 1.00 52.41 C ATOM 793 C GLU A 50 3.503 1.481 32.694 1.00 31.53 C ATOM 794 O GLU A 50 4.516 1.165 32.069 1.00 71.13 O ATOM 795 CB GLU A 50 2.956 -0.199 34.466 1.00 1.14 C ATOM 796 CG GLU A 50 3.617 -1.222 33.558 1.00 42.21 C ATOM 797 CD GLU A 50 3.377 -2.648 34.013 1.00 21.14 C ATOM 798 OE1 GLU A 50 2.366 -2.887 34.706 1.00 11.55 O ATOM 799 OE2 GLU A 50 4.200 -3.525 33.677 1.00 32.24 O ATOM 0 H GLU A 50 1.552 1.801 35.005 1.00 53.23 H new ATOM 0 HA GLU A 50 4.389 1.393 34.639 1.00 52.41 H new ATOM 0 HB2 GLU A 50 3.175 -0.451 35.504 1.00 1.14 H new ATOM 0 HB3 GLU A 50 1.875 -0.262 34.344 1.00 1.14 H new ATOM 0 HG2 GLU A 50 3.238 -1.100 32.543 1.00 42.21 H new ATOM 0 HG3 GLU A 50 4.690 -1.032 33.523 1.00 42.21 H new ATOM 806 N LEU A 51 2.444 2.041 32.120 1.00 2.22 N ATOM 807 CA LEU A 51 2.410 2.325 30.690 1.00 63.14 C ATOM 808 C LEU A 51 2.658 3.806 30.422 1.00 13.11 C ATOM 809 O LEU A 51 3.614 4.172 29.739 1.00 31.54 O ATOM 810 CB LEU A 51 1.063 1.906 30.098 1.00 11.45 C ATOM 811 CG LEU A 51 0.876 2.166 28.603 1.00 2.02 C ATOM 812 CD1 LEU A 51 1.572 1.090 27.784 1.00 53.23 C ATOM 813 CD2 LEU A 51 -0.603 2.232 28.254 1.00 35.01 C ATOM 0 H LEU A 51 1.598 2.307 32.623 1.00 2.22 H new ATOM 0 HA LEU A 51 3.204 1.751 30.212 1.00 63.14 H new ATOM 0 HB2 LEU A 51 0.924 0.840 30.281 1.00 11.45 H new ATOM 0 HB3 LEU A 51 0.273 2.428 30.639 1.00 11.45 H new ATOM 0 HG LEU A 51 1.328 3.128 28.361 1.00 2.02 H new ATOM 0 HD11 LEU A 51 1.428 1.291 26.722 1.00 53.23 H new ATOM 0 HD12 LEU A 51 2.638 1.091 28.013 1.00 53.23 H new ATOM 0 HD13 LEU A 51 1.149 0.116 28.029 1.00 53.23 H new ATOM 0 HD21 LEU A 51 -0.717 2.418 27.186 1.00 35.01 H new ATOM 0 HD22 LEU A 51 -1.080 1.286 28.511 1.00 35.01 H new ATOM 0 HD23 LEU A 51 -1.073 3.040 28.815 1.00 35.01 H new ATOM 825 N GLU A 52 1.790 4.654 30.967 1.00 63.42 N ATOM 826 CA GLU A 52 1.916 6.095 30.787 1.00 5.25 C ATOM 827 C GLU A 52 3.077 6.646 31.612 1.00 55.55 C ATOM 828 O GLU A 52 3.721 7.620 31.223 1.00 33.11 O ATOM 829 CB GLU A 52 0.616 6.797 31.184 1.00 31.35 C ATOM 830 CG GLU A 52 0.703 8.313 31.137 1.00 60.12 C ATOM 831 CD GLU A 52 -0.543 8.986 31.679 1.00 50.15 C ATOM 832 OE1 GLU A 52 -0.607 9.220 32.903 1.00 20.24 O ATOM 833 OE2 GLU A 52 -1.454 9.280 30.876 1.00 33.45 O ATOM 0 H GLU A 52 0.993 4.368 31.536 1.00 63.42 H new ATOM 0 HA GLU A 52 2.117 6.288 29.733 1.00 5.25 H new ATOM 0 HB2 GLU A 52 -0.183 6.467 30.520 1.00 31.35 H new ATOM 0 HB3 GLU A 52 0.340 6.489 32.192 1.00 31.35 H new ATOM 0 HG2 GLU A 52 1.568 8.642 31.713 1.00 60.12 H new ATOM 0 HG3 GLU A 52 0.865 8.632 30.107 1.00 60.12 H new ATOM 840 N GLY A 53 3.336 6.016 32.753 1.00 23.01 N ATOM 841 CA GLY A 53 4.417 6.457 33.615 1.00 44.22 C ATOM 842 C GLY A 53 5.756 5.873 33.211 1.00 63.25 C ATOM 843 O GLY A 53 6.703 6.608 32.927 1.00 1.14 O ATOM 0 H GLY A 53 2.817 5.208 33.096 1.00 23.01 H new ATOM 0 HA2 GLY A 53 4.476 7.545 33.590 1.00 44.22 H new ATOM 0 HA3 GLY A 53 4.196 6.173 34.644 1.00 44.22 H new ATOM 847 N LEU A 54 5.838 4.547 33.185 1.00 52.13 N ATOM 848 CA LEU A 54 7.072 3.864 32.814 1.00 71.54 C ATOM 849 C LEU A 54 7.056 3.473 31.339 1.00 1.31 C ATOM 850 O LEU A 54 6.489 2.446 30.965 1.00 52.41 O ATOM 851 CB LEU A 54 7.269 2.619 33.680 1.00 30.43 C ATOM 852 CG LEU A 54 7.459 2.866 35.177 1.00 3.12 C ATOM 853 CD1 LEU A 54 7.794 1.568 35.895 1.00 71.43 C ATOM 854 CD2 LEU A 54 8.548 3.903 35.412 1.00 11.21 C ATOM 0 H LEU A 54 5.064 3.924 33.416 1.00 52.13 H new ATOM 0 HA LEU A 54 7.902 4.551 32.980 1.00 71.54 H new ATOM 0 HB2 LEU A 54 6.405 1.968 33.546 1.00 30.43 H new ATOM 0 HB3 LEU A 54 8.138 2.076 33.308 1.00 30.43 H new ATOM 0 HG LEU A 54 6.524 3.251 35.583 1.00 3.12 H new ATOM 0 HD11 LEU A 54 7.926 1.764 36.959 1.00 71.43 H new ATOM 0 HD12 LEU A 54 6.982 0.855 35.755 1.00 71.43 H new ATOM 0 HD13 LEU A 54 8.715 1.153 35.486 1.00 71.43 H new ATOM 0 HD21 LEU A 54 8.670 4.066 36.483 1.00 11.21 H new ATOM 0 HD22 LEU A 54 9.488 3.546 34.990 1.00 11.21 H new ATOM 0 HD23 LEU A 54 8.268 4.840 34.932 1.00 11.21 H new ATOM 866 N ILE A 55 7.684 4.298 30.508 1.00 72.25 N ATOM 867 CA ILE A 55 7.745 4.037 29.075 1.00 75.32 C ATOM 868 C ILE A 55 7.558 2.553 28.778 1.00 74.30 C ATOM 869 O ILE A 55 7.761 1.692 29.635 1.00 41.41 O ATOM 870 CB ILE A 55 9.083 4.504 28.473 1.00 1.35 C ATOM 871 CG1 ILE A 55 10.238 3.675 29.038 1.00 2.02 C ATOM 872 CG2 ILE A 55 9.301 5.984 28.752 1.00 55.11 C ATOM 873 CD1 ILE A 55 11.588 4.051 28.467 1.00 34.20 C ATOM 0 H ILE A 55 8.157 5.152 30.802 1.00 72.25 H new ATOM 0 HA ILE A 55 6.933 4.602 28.617 1.00 75.32 H new ATOM 0 HB ILE A 55 9.050 4.358 27.393 1.00 1.35 H new ATOM 0 HG12 ILE A 55 10.265 3.795 30.121 1.00 2.02 H new ATOM 0 HG13 ILE A 55 10.049 2.620 28.838 1.00 2.02 H new ATOM 0 HG21 ILE A 55 10.251 6.300 28.320 1.00 55.11 H new ATOM 0 HG22 ILE A 55 8.491 6.561 28.307 1.00 55.11 H new ATOM 0 HG23 ILE A 55 9.318 6.153 29.829 1.00 55.11 H new ATOM 0 HD11 ILE A 55 12.359 3.423 28.913 1.00 34.20 H new ATOM 0 HD12 ILE A 55 11.580 3.904 27.387 1.00 34.20 H new ATOM 0 HD13 ILE A 55 11.799 5.097 28.690 1.00 34.20 H new ATOM 885 N PRO A 56 7.162 2.243 27.534 1.00 4.22 N ATOM 886 CA PRO A 56 6.942 0.862 27.094 1.00 13.42 C ATOM 887 C PRO A 56 8.243 0.075 26.982 1.00 35.21 C ATOM 888 O PRO A 56 8.255 -1.147 27.131 1.00 20.24 O ATOM 889 CB PRO A 56 6.296 1.028 25.716 1.00 4.11 C ATOM 890 CG PRO A 56 6.766 2.358 25.235 1.00 22.52 C ATOM 891 CD PRO A 56 6.901 3.217 26.461 1.00 1.43 C ATOM 0 HA PRO A 56 6.331 0.301 27.801 1.00 13.42 H new ATOM 0 HB2 PRO A 56 6.601 0.231 25.037 1.00 4.11 H new ATOM 0 HB3 PRO A 56 5.209 0.992 25.782 1.00 4.11 H new ATOM 0 HG2 PRO A 56 7.719 2.270 24.713 1.00 22.52 H new ATOM 0 HG3 PRO A 56 6.056 2.792 24.531 1.00 22.52 H new ATOM 0 HD2 PRO A 56 7.717 3.933 26.362 1.00 1.43 H new ATOM 0 HD3 PRO A 56 5.994 3.791 26.651 1.00 1.43 H new ATOM 899 N VAL A 57 9.337 0.782 26.718 1.00 14.35 N ATOM 900 CA VAL A 57 10.643 0.149 26.588 1.00 45.20 C ATOM 901 C VAL A 57 11.017 -0.608 27.858 1.00 53.43 C ATOM 902 O VAL A 57 11.862 -1.503 27.833 1.00 12.44 O ATOM 903 CB VAL A 57 11.741 1.185 26.280 1.00 53.24 C ATOM 904 CG1 VAL A 57 13.067 0.493 26.006 1.00 62.12 C ATOM 905 CG2 VAL A 57 11.333 2.058 25.103 1.00 53.52 C ATOM 0 H VAL A 57 9.344 1.794 26.590 1.00 14.35 H new ATOM 0 HA VAL A 57 10.572 -0.553 25.757 1.00 45.20 H new ATOM 0 HB VAL A 57 11.867 1.826 27.153 1.00 53.24 H new ATOM 0 HG11 VAL A 57 13.830 1.241 25.791 1.00 62.12 H new ATOM 0 HG12 VAL A 57 13.363 -0.086 26.881 1.00 62.12 H new ATOM 0 HG13 VAL A 57 12.960 -0.173 25.150 1.00 62.12 H new ATOM 0 HG21 VAL A 57 12.120 2.784 24.899 1.00 53.52 H new ATOM 0 HG22 VAL A 57 11.178 1.433 24.223 1.00 53.52 H new ATOM 0 HG23 VAL A 57 10.408 2.583 25.343 1.00 53.52 H new ATOM 915 N ASP A 58 10.381 -0.243 28.966 1.00 40.24 N ATOM 916 CA ASP A 58 10.645 -0.888 30.246 1.00 32.53 C ATOM 917 C ASP A 58 9.705 -2.071 30.462 1.00 4.25 C ATOM 918 O ASP A 58 10.149 -3.210 30.616 1.00 53.22 O ATOM 919 CB ASP A 58 10.492 0.116 31.389 1.00 14.23 C ATOM 920 CG ASP A 58 11.805 0.401 32.090 1.00 25.52 C ATOM 921 OD1 ASP A 58 12.394 -0.546 32.653 1.00 0.11 O ATOM 922 OD2 ASP A 58 12.245 1.570 32.077 1.00 73.33 O ATOM 0 H ASP A 58 9.679 0.496 29.003 1.00 40.24 H new ATOM 0 HA ASP A 58 11.670 -1.258 30.234 1.00 32.53 H new ATOM 0 HB2 ASP A 58 10.083 1.048 30.998 1.00 14.23 H new ATOM 0 HB3 ASP A 58 9.773 -0.269 32.113 1.00 14.23 H new ATOM 927 N LEU A 59 8.406 -1.793 30.475 1.00 64.13 N ATOM 928 CA LEU A 59 7.403 -2.834 30.673 1.00 4.43 C ATOM 929 C LEU A 59 7.497 -3.896 29.582 1.00 0.54 C ATOM 930 O LEU A 59 7.178 -5.062 29.809 1.00 73.11 O ATOM 931 CB LEU A 59 6.001 -2.222 30.687 1.00 64.13 C ATOM 932 CG LEU A 59 5.059 -2.679 29.573 1.00 60.23 C ATOM 933 CD1 LEU A 59 3.613 -2.385 29.942 1.00 45.51 C ATOM 934 CD2 LEU A 59 5.423 -2.007 28.257 1.00 60.01 C ATOM 0 H LEU A 59 8.023 -0.856 30.351 1.00 64.13 H new ATOM 0 HA LEU A 59 7.594 -3.311 31.634 1.00 4.43 H new ATOM 0 HB2 LEU A 59 5.536 -2.451 31.646 1.00 64.13 H new ATOM 0 HB3 LEU A 59 6.099 -1.138 30.631 1.00 64.13 H new ATOM 0 HG LEU A 59 5.169 -3.756 29.450 1.00 60.23 H new ATOM 0 HD11 LEU A 59 2.957 -2.717 29.137 1.00 45.51 H new ATOM 0 HD12 LEU A 59 3.357 -2.914 30.860 1.00 45.51 H new ATOM 0 HD13 LEU A 59 3.487 -1.313 30.094 1.00 45.51 H new ATOM 0 HD21 LEU A 59 4.742 -2.344 27.476 1.00 60.01 H new ATOM 0 HD22 LEU A 59 5.343 -0.925 28.366 1.00 60.01 H new ATOM 0 HD23 LEU A 59 6.445 -2.269 27.985 1.00 60.01 H new ATOM 946 N ALA A 60 7.939 -3.483 28.399 1.00 60.12 N ATOM 947 CA ALA A 60 8.079 -4.400 27.274 1.00 50.40 C ATOM 948 C ALA A 60 9.156 -5.444 27.548 1.00 51.05 C ATOM 949 O ALA A 60 8.987 -6.620 27.228 1.00 64.14 O ATOM 950 CB ALA A 60 8.400 -3.629 26.002 1.00 55.21 C ATOM 0 H ALA A 60 8.206 -2.520 28.195 1.00 60.12 H new ATOM 0 HA ALA A 60 7.131 -4.921 27.141 1.00 50.40 H new ATOM 0 HB1 ALA A 60 8.502 -4.326 25.170 1.00 55.21 H new ATOM 0 HB2 ALA A 60 7.595 -2.926 25.790 1.00 55.21 H new ATOM 0 HB3 ALA A 60 9.334 -3.082 26.134 1.00 55.21 H new ATOM 956 N GLU A 61 10.262 -5.006 28.140 1.00 1.43 N ATOM 957 CA GLU A 61 11.367 -5.904 28.455 1.00 52.02 C ATOM 958 C GLU A 61 10.894 -7.062 29.329 1.00 3.02 C ATOM 959 O GLU A 61 11.314 -8.205 29.145 1.00 72.40 O ATOM 960 CB GLU A 61 12.488 -5.141 29.163 1.00 44.25 C ATOM 961 CG GLU A 61 13.645 -4.773 28.249 1.00 41.15 C ATOM 962 CD GLU A 61 14.838 -4.227 29.009 1.00 63.05 C ATOM 963 OE1 GLU A 61 14.633 -3.392 29.914 1.00 15.02 O ATOM 964 OE2 GLU A 61 15.977 -4.634 28.698 1.00 61.10 O ATOM 0 H GLU A 61 10.417 -4.035 28.411 1.00 1.43 H new ATOM 0 HA GLU A 61 11.750 -6.310 27.519 1.00 52.02 H new ATOM 0 HB2 GLU A 61 12.077 -4.231 29.600 1.00 44.25 H new ATOM 0 HB3 GLU A 61 12.865 -5.747 29.986 1.00 44.25 H new ATOM 0 HG2 GLU A 61 13.951 -5.653 27.684 1.00 41.15 H new ATOM 0 HG3 GLU A 61 13.309 -4.030 27.525 1.00 41.15 H new ATOM 971 N LEU A 62 10.019 -6.758 30.281 1.00 5.34 N ATOM 972 CA LEU A 62 9.489 -7.772 31.186 1.00 62.22 C ATOM 973 C LEU A 62 8.487 -8.671 30.468 1.00 24.23 C ATOM 974 O LEU A 62 8.502 -9.892 30.634 1.00 2.33 O ATOM 975 CB LEU A 62 8.824 -7.110 32.393 1.00 13.52 C ATOM 976 CG LEU A 62 7.936 -8.013 33.250 1.00 51.21 C ATOM 977 CD1 LEU A 62 8.120 -7.697 34.726 1.00 20.31 C ATOM 978 CD2 LEU A 62 6.476 -7.861 32.848 1.00 31.44 C ATOM 0 H LEU A 62 9.661 -5.817 30.446 1.00 5.34 H new ATOM 0 HA LEU A 62 10.320 -8.387 31.530 1.00 62.22 H new ATOM 0 HB2 LEU A 62 9.605 -6.693 33.029 1.00 13.52 H new ATOM 0 HB3 LEU A 62 8.222 -6.274 32.037 1.00 13.52 H new ATOM 0 HG LEU A 62 8.233 -9.048 33.082 1.00 51.21 H new ATOM 0 HD11 LEU A 62 7.480 -8.349 35.320 1.00 20.31 H new ATOM 0 HD12 LEU A 62 9.161 -7.857 35.005 1.00 20.31 H new ATOM 0 HD13 LEU A 62 7.851 -6.657 34.912 1.00 20.31 H new ATOM 0 HD21 LEU A 62 5.858 -8.511 33.468 1.00 31.44 H new ATOM 0 HD22 LEU A 62 6.166 -6.825 32.987 1.00 31.44 H new ATOM 0 HD23 LEU A 62 6.356 -8.138 31.801 1.00 31.44 H new ATOM 990 N LEU A 63 7.619 -8.061 29.669 1.00 5.10 N ATOM 991 CA LEU A 63 6.611 -8.806 28.923 1.00 21.24 C ATOM 992 C LEU A 63 7.264 -9.799 27.967 1.00 43.42 C ATOM 993 O LEU A 63 6.932 -10.984 27.965 1.00 21.41 O ATOM 994 CB LEU A 63 5.711 -7.846 28.144 1.00 44.42 C ATOM 995 CG LEU A 63 4.285 -8.329 27.878 1.00 41.41 C ATOM 996 CD1 LEU A 63 4.298 -9.724 27.274 1.00 21.31 C ATOM 997 CD2 LEU A 63 3.467 -8.308 29.161 1.00 41.01 C ATOM 0 H LEU A 63 7.593 -7.052 29.521 1.00 5.10 H new ATOM 0 HA LEU A 63 6.005 -9.363 29.637 1.00 21.24 H new ATOM 0 HB2 LEU A 63 5.658 -6.905 28.691 1.00 44.42 H new ATOM 0 HB3 LEU A 63 6.185 -7.632 27.186 1.00 44.42 H new ATOM 0 HG LEU A 63 3.819 -7.651 27.163 1.00 41.41 H new ATOM 0 HD11 LEU A 63 3.274 -10.051 27.092 1.00 21.31 H new ATOM 0 HD12 LEU A 63 4.847 -9.708 26.332 1.00 21.31 H new ATOM 0 HD13 LEU A 63 4.782 -10.415 27.964 1.00 21.31 H new ATOM 0 HD21 LEU A 63 2.455 -8.655 28.953 1.00 41.01 H new ATOM 0 HD22 LEU A 63 3.930 -8.963 29.899 1.00 41.01 H new ATOM 0 HD23 LEU A 63 3.429 -7.291 29.552 1.00 41.01 H new ATOM 1009 N ILE A 64 8.195 -9.306 27.157 1.00 64.42 N ATOM 1010 CA ILE A 64 8.897 -10.151 26.198 1.00 3.12 C ATOM 1011 C ILE A 64 9.610 -11.303 26.899 1.00 41.42 C ATOM 1012 O ILE A 64 9.783 -12.379 26.327 1.00 13.01 O ATOM 1013 CB ILE A 64 9.926 -9.344 25.385 1.00 44.12 C ATOM 1014 CG1 ILE A 64 11.059 -8.859 26.292 1.00 63.41 C ATOM 1015 CG2 ILE A 64 9.252 -8.167 24.696 1.00 12.01 C ATOM 1016 CD1 ILE A 64 12.192 -8.195 25.541 1.00 1.04 C ATOM 0 H ILE A 64 8.481 -8.327 27.145 1.00 64.42 H new ATOM 0 HA ILE A 64 8.144 -10.552 25.520 1.00 3.12 H new ATOM 0 HB ILE A 64 10.351 -9.993 24.620 1.00 44.12 H new ATOM 0 HG12 ILE A 64 10.655 -8.156 27.020 1.00 63.41 H new ATOM 0 HG13 ILE A 64 11.453 -9.707 26.853 1.00 63.41 H new ATOM 0 HG21 ILE A 64 9.993 -7.607 24.125 1.00 12.01 H new ATOM 0 HG22 ILE A 64 8.477 -8.534 24.023 1.00 12.01 H new ATOM 0 HG23 ILE A 64 8.802 -7.516 25.445 1.00 12.01 H new ATOM 0 HD11 ILE A 64 12.959 -7.877 26.247 1.00 1.04 H new ATOM 0 HD12 ILE A 64 12.622 -8.902 24.832 1.00 1.04 H new ATOM 0 HD13 ILE A 64 11.812 -7.327 25.002 1.00 1.04 H new ATOM 1028 N SER A 65 10.021 -11.069 28.141 1.00 13.02 N ATOM 1029 CA SER A 65 10.717 -12.086 28.920 1.00 32.33 C ATOM 1030 C SER A 65 9.729 -13.084 29.517 1.00 72.23 C ATOM 1031 O SER A 65 10.045 -14.261 29.690 1.00 70.52 O ATOM 1032 CB SER A 65 11.536 -11.433 30.035 1.00 34.35 C ATOM 1033 OG SER A 65 11.593 -12.266 31.180 1.00 22.25 O ATOM 0 H SER A 65 9.884 -10.184 28.629 1.00 13.02 H new ATOM 0 HA SER A 65 11.390 -12.623 28.251 1.00 32.33 H new ATOM 0 HB2 SER A 65 12.546 -11.230 29.678 1.00 34.35 H new ATOM 0 HB3 SER A 65 11.093 -10.473 30.301 1.00 34.35 H new ATOM 0 HG SER A 65 12.123 -11.827 31.878 1.00 22.25 H new ATOM 1039 N LYS A 66 8.530 -12.605 29.830 1.00 52.24 N ATOM 1040 CA LYS A 66 7.493 -13.453 30.406 1.00 52.42 C ATOM 1041 C LYS A 66 7.306 -14.722 29.580 1.00 5.42 C ATOM 1042 O LYS A 66 7.565 -15.827 30.056 1.00 22.15 O ATOM 1043 CB LYS A 66 6.170 -12.688 30.492 1.00 73.44 C ATOM 1044 CG LYS A 66 4.965 -13.582 30.731 1.00 63.44 C ATOM 1045 CD LYS A 66 5.173 -14.488 31.933 1.00 12.20 C ATOM 1046 CE LYS A 66 5.270 -13.688 33.223 1.00 13.20 C ATOM 1047 NZ LYS A 66 5.941 -14.460 34.305 1.00 11.33 N ATOM 0 H LYS A 66 8.252 -11.633 29.694 1.00 52.24 H new ATOM 0 HA LYS A 66 7.808 -13.738 31.410 1.00 52.42 H new ATOM 0 HB2 LYS A 66 6.235 -11.956 31.297 1.00 73.44 H new ATOM 0 HB3 LYS A 66 6.021 -12.131 29.567 1.00 73.44 H new ATOM 0 HG2 LYS A 66 4.079 -12.966 30.887 1.00 63.44 H new ATOM 0 HG3 LYS A 66 4.779 -14.189 29.845 1.00 63.44 H new ATOM 0 HD2 LYS A 66 4.347 -15.196 32.004 1.00 12.20 H new ATOM 0 HD3 LYS A 66 6.083 -15.072 31.797 1.00 12.20 H new ATOM 0 HE2 LYS A 66 5.822 -12.767 33.038 1.00 13.20 H new ATOM 0 HE3 LYS A 66 4.270 -13.401 33.548 1.00 13.20 H new ATOM 0 HZ1 LYS A 66 5.988 -13.880 35.167 1.00 11.33 H new ATOM 0 HZ2 LYS A 66 5.401 -15.327 34.499 1.00 11.33 H new ATOM 0 HZ3 LYS A 66 6.904 -14.712 34.005 1.00 11.33 H new ATOM 1061 N TYR A 67 6.858 -14.555 28.341 1.00 11.01 N ATOM 1062 CA TYR A 67 6.636 -15.687 27.450 1.00 63.43 C ATOM 1063 C TYR A 67 7.523 -15.588 26.212 1.00 33.10 C ATOM 1064 O TYR A 67 8.062 -16.587 25.739 1.00 61.32 O ATOM 1065 CB TYR A 67 5.166 -15.756 27.034 1.00 50.34 C ATOM 1066 CG TYR A 67 4.550 -17.126 27.208 1.00 3.41 C ATOM 1067 CD1 TYR A 67 4.840 -18.157 26.323 1.00 54.45 C ATOM 1068 CD2 TYR A 67 3.679 -17.389 28.258 1.00 52.15 C ATOM 1069 CE1 TYR A 67 4.279 -19.410 26.477 1.00 0.25 C ATOM 1070 CE2 TYR A 67 3.115 -18.639 28.421 1.00 33.21 C ATOM 1071 CZ TYR A 67 3.418 -19.646 27.528 1.00 33.25 C ATOM 1072 OH TYR A 67 2.857 -20.893 27.687 1.00 13.31 O ATOM 0 H TYR A 67 6.641 -13.647 27.931 1.00 11.01 H new ATOM 0 HA TYR A 67 6.896 -16.598 27.990 1.00 63.43 H new ATOM 0 HB2 TYR A 67 4.597 -15.034 27.620 1.00 50.34 H new ATOM 0 HB3 TYR A 67 5.079 -15.458 25.989 1.00 50.34 H new ATOM 0 HD1 TYR A 67 5.516 -17.976 25.500 1.00 54.45 H new ATOM 0 HD2 TYR A 67 3.439 -16.603 28.958 1.00 52.15 H new ATOM 0 HE1 TYR A 67 4.513 -20.200 25.779 1.00 0.25 H new ATOM 0 HE2 TYR A 67 2.440 -18.827 29.243 1.00 33.21 H new ATOM 0 HH TYR A 67 2.276 -20.892 28.476 1.00 13.31 H new ATOM 1082 N GLY A 68 7.669 -14.373 25.693 1.00 53.25 N ATOM 1083 CA GLY A 68 8.491 -14.163 24.515 1.00 74.20 C ATOM 1084 C GLY A 68 8.156 -12.871 23.797 1.00 4.42 C ATOM 1085 O GLY A 68 7.034 -12.376 23.888 1.00 14.45 O ATOM 0 H GLY A 68 7.233 -13.530 26.067 1.00 53.25 H new ATOM 0 HA2 GLY A 68 9.541 -14.151 24.806 1.00 74.20 H new ATOM 0 HA3 GLY A 68 8.359 -15.000 23.830 1.00 74.20 H new ATOM 1089 N GLU A 69 9.134 -12.322 23.083 1.00 62.33 N ATOM 1090 CA GLU A 69 8.938 -11.078 22.349 1.00 54.41 C ATOM 1091 C GLU A 69 7.952 -11.273 21.200 1.00 1.03 C ATOM 1092 O GLU A 69 7.299 -10.327 20.760 1.00 73.13 O ATOM 1093 CB GLU A 69 10.273 -10.562 21.808 1.00 71.43 C ATOM 1094 CG GLU A 69 11.034 -11.590 20.987 1.00 24.05 C ATOM 1095 CD GLU A 69 11.826 -10.963 19.856 1.00 3.05 C ATOM 1096 OE1 GLU A 69 11.210 -10.302 18.995 1.00 72.10 O ATOM 1097 OE2 GLU A 69 13.063 -11.133 19.834 1.00 64.54 O ATOM 0 H GLU A 69 10.070 -12.719 22.998 1.00 62.33 H new ATOM 0 HA GLU A 69 8.525 -10.342 23.038 1.00 54.41 H new ATOM 0 HB2 GLU A 69 10.090 -9.681 21.193 1.00 71.43 H new ATOM 0 HB3 GLU A 69 10.896 -10.244 22.644 1.00 71.43 H new ATOM 0 HG2 GLU A 69 11.712 -12.140 21.639 1.00 24.05 H new ATOM 0 HG3 GLU A 69 10.330 -12.314 20.575 1.00 24.05 H new ATOM 1104 N LYS A 70 7.851 -12.507 20.719 1.00 31.30 N ATOM 1105 CA LYS A 70 6.946 -12.830 19.622 1.00 13.43 C ATOM 1106 C LYS A 70 5.493 -12.617 20.035 1.00 11.55 C ATOM 1107 O LYS A 70 4.904 -11.574 19.750 1.00 21.33 O ATOM 1108 CB LYS A 70 7.152 -14.278 19.172 1.00 11.33 C ATOM 1109 CG LYS A 70 8.508 -14.529 18.535 1.00 35.42 C ATOM 1110 CD LYS A 70 8.714 -13.665 17.303 1.00 75.14 C ATOM 1111 CE LYS A 70 9.937 -12.773 17.445 1.00 23.14 C ATOM 1112 NZ LYS A 70 10.437 -12.301 16.124 1.00 13.14 N ATOM 0 H LYS A 70 8.385 -13.301 21.072 1.00 31.30 H new ATOM 0 HA LYS A 70 7.171 -12.162 18.790 1.00 13.43 H new ATOM 0 HB2 LYS A 70 7.036 -14.937 20.032 1.00 11.33 H new ATOM 0 HB3 LYS A 70 6.371 -14.543 18.460 1.00 11.33 H new ATOM 0 HG2 LYS A 70 9.295 -14.323 19.260 1.00 35.42 H new ATOM 0 HG3 LYS A 70 8.593 -15.581 18.261 1.00 35.42 H new ATOM 0 HD2 LYS A 70 8.827 -14.302 16.426 1.00 75.14 H new ATOM 0 HD3 LYS A 70 7.830 -13.049 17.138 1.00 75.14 H new ATOM 0 HE2 LYS A 70 9.689 -11.913 18.067 1.00 23.14 H new ATOM 0 HE3 LYS A 70 10.728 -13.320 17.958 1.00 23.14 H new ATOM 0 HZ1 LYS A 70 11.271 -11.696 16.265 1.00 13.14 H new ATOM 0 HZ2 LYS A 70 10.698 -13.120 15.539 1.00 13.14 H new ATOM 0 HZ3 LYS A 70 9.691 -11.757 15.645 1.00 13.14 H new ATOM 1126 N GLU A 71 4.922 -13.610 20.710 1.00 61.15 N ATOM 1127 CA GLU A 71 3.538 -13.529 21.162 1.00 63.41 C ATOM 1128 C GLU A 71 3.279 -12.212 21.887 1.00 11.00 C ATOM 1129 O GLU A 71 2.156 -11.708 21.899 1.00 61.42 O ATOM 1130 CB GLU A 71 3.211 -14.705 22.085 1.00 74.24 C ATOM 1131 CG GLU A 71 4.257 -14.945 23.160 1.00 62.23 C ATOM 1132 CD GLU A 71 5.057 -16.211 22.923 1.00 64.23 C ATOM 1133 OE1 GLU A 71 6.078 -16.143 22.206 1.00 32.44 O ATOM 1134 OE2 GLU A 71 4.663 -17.270 23.454 1.00 35.14 O ATOM 0 H GLU A 71 5.396 -14.479 20.956 1.00 61.15 H new ATOM 0 HA GLU A 71 2.892 -13.574 20.285 1.00 63.41 H new ATOM 0 HB2 GLU A 71 2.247 -14.525 22.562 1.00 74.24 H new ATOM 0 HB3 GLU A 71 3.106 -15.609 21.485 1.00 74.24 H new ATOM 0 HG2 GLU A 71 4.935 -14.093 23.198 1.00 62.23 H new ATOM 0 HG3 GLU A 71 3.767 -15.006 24.132 1.00 62.23 H new ATOM 1141 N ALA A 72 4.326 -11.660 22.491 1.00 11.13 N ATOM 1142 CA ALA A 72 4.213 -10.401 23.217 1.00 33.14 C ATOM 1143 C ALA A 72 3.494 -9.348 22.381 1.00 3.41 C ATOM 1144 O ALA A 72 2.408 -8.892 22.738 1.00 11.33 O ATOM 1145 CB ALA A 72 5.590 -9.903 23.628 1.00 45.33 C ATOM 0 H ALA A 72 5.262 -12.065 22.492 1.00 11.13 H new ATOM 0 HA ALA A 72 3.621 -10.580 24.115 1.00 33.14 H new ATOM 0 HB1 ALA A 72 5.490 -8.962 24.169 1.00 45.33 H new ATOM 0 HB2 ALA A 72 6.067 -10.642 24.271 1.00 45.33 H new ATOM 0 HB3 ALA A 72 6.201 -9.747 22.739 1.00 45.33 H new ATOM 1151 N VAL A 73 4.108 -8.964 21.266 1.00 2.02 N ATOM 1152 CA VAL A 73 3.527 -7.964 20.379 1.00 72.04 C ATOM 1153 C VAL A 73 2.138 -8.385 19.911 1.00 63.20 C ATOM 1154 O VAL A 73 1.189 -7.603 19.963 1.00 2.42 O ATOM 1155 CB VAL A 73 4.419 -7.720 19.147 1.00 2.02 C ATOM 1156 CG1 VAL A 73 3.660 -6.941 18.084 1.00 44.13 C ATOM 1157 CG2 VAL A 73 5.692 -6.990 19.548 1.00 10.23 C ATOM 0 H VAL A 73 5.008 -9.331 20.956 1.00 2.02 H new ATOM 0 HA VAL A 73 3.450 -7.040 20.952 1.00 72.04 H new ATOM 0 HB VAL A 73 4.698 -8.685 18.725 1.00 2.02 H new ATOM 0 HG11 VAL A 73 4.306 -6.778 17.221 1.00 44.13 H new ATOM 0 HG12 VAL A 73 2.780 -7.507 17.777 1.00 44.13 H new ATOM 0 HG13 VAL A 73 3.349 -5.979 18.491 1.00 44.13 H new ATOM 0 HG21 VAL A 73 6.311 -6.826 18.666 1.00 10.23 H new ATOM 0 HG22 VAL A 73 5.435 -6.030 19.995 1.00 10.23 H new ATOM 0 HG23 VAL A 73 6.244 -7.591 20.271 1.00 10.23 H new ATOM 1167 N LYS A 74 2.026 -9.628 19.454 1.00 54.31 N ATOM 1168 CA LYS A 74 0.753 -10.156 18.978 1.00 54.21 C ATOM 1169 C LYS A 74 -0.333 -9.998 20.038 1.00 4.31 C ATOM 1170 O LYS A 74 -1.480 -9.680 19.724 1.00 3.20 O ATOM 1171 CB LYS A 74 0.899 -11.631 18.599 1.00 71.23 C ATOM 1172 CG LYS A 74 1.655 -11.853 17.300 1.00 31.53 C ATOM 1173 CD LYS A 74 2.743 -12.901 17.461 1.00 25.42 C ATOM 1174 CE LYS A 74 2.240 -14.289 17.094 1.00 10.12 C ATOM 1175 NZ LYS A 74 2.898 -14.810 15.864 1.00 33.20 N ATOM 0 H LYS A 74 2.802 -10.288 19.403 1.00 54.31 H new ATOM 0 HA LYS A 74 0.460 -9.587 18.095 1.00 54.21 H new ATOM 0 HB2 LYS A 74 1.415 -12.155 19.404 1.00 71.23 H new ATOM 0 HB3 LYS A 74 -0.093 -12.075 18.513 1.00 71.23 H new ATOM 0 HG2 LYS A 74 0.959 -12.166 16.522 1.00 31.53 H new ATOM 0 HG3 LYS A 74 2.099 -10.913 16.971 1.00 31.53 H new ATOM 0 HD2 LYS A 74 3.594 -12.643 16.831 1.00 25.42 H new ATOM 0 HD3 LYS A 74 3.098 -12.902 18.491 1.00 25.42 H new ATOM 0 HE2 LYS A 74 2.425 -14.973 17.922 1.00 10.12 H new ATOM 0 HE3 LYS A 74 1.161 -14.256 16.943 1.00 10.12 H new ATOM 0 HZ1 LYS A 74 2.528 -15.758 15.647 1.00 33.20 H new ATOM 0 HZ2 LYS A 74 2.701 -14.171 15.068 1.00 33.20 H new ATOM 0 HZ3 LYS A 74 3.925 -14.866 16.017 1.00 33.20 H new ATOM 1189 N VAL A 75 0.038 -10.220 21.295 1.00 34.33 N ATOM 1190 CA VAL A 75 -0.904 -10.100 22.402 1.00 2.21 C ATOM 1191 C VAL A 75 -1.402 -8.666 22.546 1.00 31.32 C ATOM 1192 O VAL A 75 -2.470 -8.422 23.108 1.00 22.25 O ATOM 1193 CB VAL A 75 -0.267 -10.546 23.732 1.00 60.44 C ATOM 1194 CG1 VAL A 75 -1.159 -10.169 24.904 1.00 0.14 C ATOM 1195 CG2 VAL A 75 0.003 -12.043 23.716 1.00 33.44 C ATOM 0 H VAL A 75 0.984 -10.484 21.572 1.00 34.33 H new ATOM 0 HA VAL A 75 -1.746 -10.753 22.174 1.00 2.21 H new ATOM 0 HB VAL A 75 0.685 -10.029 23.851 1.00 60.44 H new ATOM 0 HG11 VAL A 75 -0.693 -10.492 25.835 1.00 0.14 H new ATOM 0 HG12 VAL A 75 -1.297 -9.088 24.923 1.00 0.14 H new ATOM 0 HG13 VAL A 75 -2.128 -10.656 24.795 1.00 0.14 H new ATOM 0 HG21 VAL A 75 0.453 -12.342 24.663 1.00 33.44 H new ATOM 0 HG22 VAL A 75 -0.935 -12.580 23.574 1.00 33.44 H new ATOM 0 HG23 VAL A 75 0.684 -12.281 22.899 1.00 33.44 H new ATOM 1205 N VAL A 76 -0.622 -7.720 22.034 1.00 42.12 N ATOM 1206 CA VAL A 76 -0.984 -6.309 22.104 1.00 73.45 C ATOM 1207 C VAL A 76 -1.996 -5.948 21.022 1.00 50.11 C ATOM 1208 O VAL A 76 -3.050 -5.379 21.308 1.00 55.02 O ATOM 1209 CB VAL A 76 0.253 -5.404 21.957 1.00 61.01 C ATOM 1210 CG1 VAL A 76 -0.096 -4.144 21.179 1.00 20.14 C ATOM 1211 CG2 VAL A 76 0.823 -5.056 23.324 1.00 63.23 C ATOM 0 H VAL A 76 0.265 -7.905 21.566 1.00 42.12 H new ATOM 0 HA VAL A 76 -1.430 -6.145 23.085 1.00 73.45 H new ATOM 0 HB VAL A 76 1.015 -5.947 21.398 1.00 61.01 H new ATOM 0 HG11 VAL A 76 0.791 -3.517 21.085 1.00 20.14 H new ATOM 0 HG12 VAL A 76 -0.454 -4.417 20.186 1.00 20.14 H new ATOM 0 HG13 VAL A 76 -0.875 -3.594 21.707 1.00 20.14 H new ATOM 0 HG21 VAL A 76 1.697 -4.416 23.202 1.00 63.23 H new ATOM 0 HG22 VAL A 76 0.068 -4.532 23.910 1.00 63.23 H new ATOM 0 HG23 VAL A 76 1.113 -5.971 23.841 1.00 63.23 H new ATOM 1221 N LEU A 77 -1.669 -6.282 19.778 1.00 0.25 N ATOM 1222 CA LEU A 77 -2.550 -5.993 18.652 1.00 63.01 C ATOM 1223 C LEU A 77 -3.824 -6.828 18.729 1.00 41.01 C ATOM 1224 O LEU A 77 -4.932 -6.300 18.637 1.00 12.42 O ATOM 1225 CB LEU A 77 -1.827 -6.265 17.331 1.00 31.04 C ATOM 1226 CG LEU A 77 -1.162 -7.635 17.200 1.00 25.44 C ATOM 1227 CD1 LEU A 77 -2.057 -8.592 16.428 1.00 44.22 C ATOM 1228 CD2 LEU A 77 0.195 -7.507 16.523 1.00 1.11 C ATOM 0 H LEU A 77 -0.801 -6.753 19.524 1.00 0.25 H new ATOM 0 HA LEU A 77 -2.825 -4.939 18.699 1.00 63.01 H new ATOM 0 HB2 LEU A 77 -2.544 -6.152 16.518 1.00 31.04 H new ATOM 0 HB3 LEU A 77 -1.064 -5.498 17.193 1.00 31.04 H new ATOM 0 HG LEU A 77 -1.010 -8.040 18.200 1.00 25.44 H new ATOM 0 HD11 LEU A 77 -1.567 -9.562 16.345 1.00 44.22 H new ATOM 0 HD12 LEU A 77 -3.005 -8.708 16.954 1.00 44.22 H new ATOM 0 HD13 LEU A 77 -2.242 -8.193 15.431 1.00 44.22 H new ATOM 0 HD21 LEU A 77 0.654 -8.492 16.438 1.00 1.11 H new ATOM 0 HD22 LEU A 77 0.067 -7.080 15.528 1.00 1.11 H new ATOM 0 HD23 LEU A 77 0.838 -6.857 17.117 1.00 1.11 H new ATOM 1240 N LYS A 78 -3.659 -8.135 18.900 1.00 61.31 N ATOM 1241 CA LYS A 78 -4.795 -9.045 18.993 1.00 1.42 C ATOM 1242 C LYS A 78 -5.822 -8.531 19.998 1.00 64.32 C ATOM 1243 O LYS A 78 -7.025 -8.571 19.745 1.00 1.42 O ATOM 1244 CB LYS A 78 -4.323 -10.443 19.399 1.00 13.31 C ATOM 1245 CG LYS A 78 -5.263 -11.553 18.960 1.00 3.33 C ATOM 1246 CD LYS A 78 -6.362 -11.789 19.982 1.00 31.31 C ATOM 1247 CE LYS A 78 -5.808 -12.380 21.270 1.00 54.12 C ATOM 1248 NZ LYS A 78 -6.126 -13.829 21.397 1.00 70.21 N ATOM 0 H LYS A 78 -2.749 -8.589 18.977 1.00 61.31 H new ATOM 0 HA LYS A 78 -5.267 -9.099 18.012 1.00 1.42 H new ATOM 0 HB2 LYS A 78 -3.337 -10.623 18.971 1.00 13.31 H new ATOM 0 HB3 LYS A 78 -4.212 -10.480 20.483 1.00 13.31 H new ATOM 0 HG2 LYS A 78 -5.708 -11.295 17.999 1.00 3.33 H new ATOM 0 HG3 LYS A 78 -4.698 -12.473 18.813 1.00 3.33 H new ATOM 0 HD2 LYS A 78 -6.866 -10.847 20.200 1.00 31.31 H new ATOM 0 HD3 LYS A 78 -7.111 -12.462 19.564 1.00 31.31 H new ATOM 0 HE2 LYS A 78 -4.727 -12.242 21.298 1.00 54.12 H new ATOM 0 HE3 LYS A 78 -6.220 -11.842 22.123 1.00 54.12 H new ATOM 0 HZ1 LYS A 78 -5.731 -14.194 22.287 1.00 70.21 H new ATOM 0 HZ2 LYS A 78 -7.158 -13.959 21.396 1.00 70.21 H new ATOM 0 HZ3 LYS A 78 -5.711 -14.347 20.596 1.00 70.21 H new ATOM 1262 N GLY A 79 -5.337 -8.049 21.138 1.00 13.52 N ATOM 1263 CA GLY A 79 -6.227 -7.533 22.163 1.00 64.24 C ATOM 1264 C GLY A 79 -6.613 -6.088 21.921 1.00 11.51 C ATOM 1265 O GLY A 79 -7.569 -5.585 22.514 1.00 4.03 O ATOM 0 H GLY A 79 -4.345 -8.006 21.370 1.00 13.52 H new ATOM 0 HA2 GLY A 79 -7.128 -8.145 22.199 1.00 64.24 H new ATOM 0 HA3 GLY A 79 -5.744 -7.619 23.136 1.00 64.24 H new ATOM 1269 N LEU A 80 -5.869 -5.416 21.049 1.00 12.34 N ATOM 1270 CA LEU A 80 -6.138 -4.018 20.732 1.00 50.54 C ATOM 1271 C LEU A 80 -7.389 -3.886 19.869 1.00 42.04 C ATOM 1272 O LEU A 80 -8.093 -2.877 19.926 1.00 64.45 O ATOM 1273 CB LEU A 80 -4.939 -3.398 20.010 1.00 35.43 C ATOM 1274 CG LEU A 80 -4.261 -2.226 20.720 1.00 14.00 C ATOM 1275 CD1 LEU A 80 -3.935 -2.590 22.160 1.00 62.30 C ATOM 1276 CD2 LEU A 80 -3.002 -1.808 19.975 1.00 51.20 C ATOM 0 H LEU A 80 -5.075 -5.817 20.549 1.00 12.34 H new ATOM 0 HA LEU A 80 -6.306 -3.485 21.668 1.00 50.54 H new ATOM 0 HB2 LEU A 80 -4.195 -4.178 19.848 1.00 35.43 H new ATOM 0 HB3 LEU A 80 -5.267 -3.061 19.027 1.00 35.43 H new ATOM 0 HG LEU A 80 -4.951 -1.382 20.728 1.00 14.00 H new ATOM 0 HD11 LEU A 80 -3.453 -1.744 22.649 1.00 62.30 H new ATOM 0 HD12 LEU A 80 -4.855 -2.839 22.689 1.00 62.30 H new ATOM 0 HD13 LEU A 80 -3.263 -3.448 22.175 1.00 62.30 H new ATOM 0 HD21 LEU A 80 -2.532 -0.973 20.494 1.00 51.20 H new ATOM 0 HD22 LEU A 80 -2.307 -2.647 19.935 1.00 51.20 H new ATOM 0 HD23 LEU A 80 -3.263 -1.504 18.961 1.00 51.20 H new ATOM 1288 N LYS A 81 -7.661 -4.913 19.071 1.00 54.24 N ATOM 1289 CA LYS A 81 -8.829 -4.915 18.198 1.00 72.14 C ATOM 1290 C LYS A 81 -10.097 -4.600 18.984 1.00 13.34 C ATOM 1291 O LYS A 81 -10.812 -3.647 18.673 1.00 12.11 O ATOM 1292 CB LYS A 81 -8.971 -6.272 17.504 1.00 23.13 C ATOM 1293 CG LYS A 81 -8.117 -6.409 16.255 1.00 15.22 C ATOM 1294 CD LYS A 81 -8.841 -7.185 15.168 1.00 53.13 C ATOM 1295 CE LYS A 81 -7.965 -8.286 14.592 1.00 61.44 C ATOM 1296 NZ LYS A 81 -7.818 -8.163 13.115 1.00 61.11 N ATOM 0 H LYS A 81 -7.088 -5.755 19.011 1.00 54.24 H new ATOM 0 HA LYS A 81 -8.688 -4.141 17.444 1.00 72.14 H new ATOM 0 HB2 LYS A 81 -8.701 -7.060 18.207 1.00 23.13 H new ATOM 0 HB3 LYS A 81 -10.017 -6.427 17.238 1.00 23.13 H new ATOM 0 HG2 LYS A 81 -7.854 -5.419 15.883 1.00 15.22 H new ATOM 0 HG3 LYS A 81 -7.184 -6.914 16.504 1.00 15.22 H new ATOM 0 HD2 LYS A 81 -9.753 -7.620 15.576 1.00 53.13 H new ATOM 0 HD3 LYS A 81 -9.142 -6.504 14.372 1.00 53.13 H new ATOM 0 HE2 LYS A 81 -6.981 -8.249 15.059 1.00 61.44 H new ATOM 0 HE3 LYS A 81 -8.396 -9.257 14.834 1.00 61.44 H new ATOM 0 HZ1 LYS A 81 -7.214 -8.932 12.761 1.00 61.11 H new ATOM 0 HZ2 LYS A 81 -8.754 -8.224 12.667 1.00 61.11 H new ATOM 0 HZ3 LYS A 81 -7.383 -7.247 12.885 1.00 61.11 H new ATOM 1310 N VAL A 82 -10.370 -5.405 20.006 1.00 11.12 N ATOM 1311 CA VAL A 82 -11.551 -5.210 20.839 1.00 4.23 C ATOM 1312 C VAL A 82 -11.540 -3.833 21.493 1.00 14.40 C ATOM 1313 O VAL A 82 -12.494 -3.449 22.170 1.00 4.22 O ATOM 1314 CB VAL A 82 -11.647 -6.286 21.937 1.00 72.22 C ATOM 1315 CG1 VAL A 82 -13.051 -6.329 22.521 1.00 72.45 C ATOM 1316 CG2 VAL A 82 -11.248 -7.646 21.385 1.00 73.41 C ATOM 0 H VAL A 82 -9.789 -6.199 20.277 1.00 11.12 H new ATOM 0 HA VAL A 82 -12.418 -5.292 20.183 1.00 4.23 H new ATOM 0 HB VAL A 82 -10.954 -6.027 22.738 1.00 72.22 H new ATOM 0 HG11 VAL A 82 -13.100 -7.095 23.295 1.00 72.45 H new ATOM 0 HG12 VAL A 82 -13.295 -5.359 22.954 1.00 72.45 H new ATOM 0 HG13 VAL A 82 -13.766 -6.564 21.733 1.00 72.45 H new ATOM 0 HG21 VAL A 82 -11.321 -8.395 22.174 1.00 73.41 H new ATOM 0 HG22 VAL A 82 -11.914 -7.916 20.566 1.00 73.41 H new ATOM 0 HG23 VAL A 82 -10.222 -7.604 21.019 1.00 73.41 H new ATOM 1326 N MET A 83 -10.456 -3.093 21.285 1.00 51.11 N ATOM 1327 CA MET A 83 -10.323 -1.756 21.853 1.00 64.40 C ATOM 1328 C MET A 83 -10.494 -0.689 20.777 1.00 13.32 C ATOM 1329 O MET A 83 -10.471 0.507 21.067 1.00 70.41 O ATOM 1330 CB MET A 83 -8.959 -1.601 22.530 1.00 54.52 C ATOM 1331 CG MET A 83 -8.734 -2.575 23.675 1.00 55.42 C ATOM 1332 SD MET A 83 -10.000 -2.448 24.953 1.00 60.20 S ATOM 1333 CE MET A 83 -9.705 -0.788 25.558 1.00 34.42 C ATOM 0 H MET A 83 -9.657 -3.396 20.728 1.00 51.11 H new ATOM 0 HA MET A 83 -11.108 -1.624 22.598 1.00 64.40 H new ATOM 0 HB2 MET A 83 -8.175 -1.741 21.786 1.00 54.52 H new ATOM 0 HB3 MET A 83 -8.863 -0.582 22.906 1.00 54.52 H new ATOM 0 HG2 MET A 83 -8.719 -3.592 23.284 1.00 55.42 H new ATOM 0 HG3 MET A 83 -7.756 -2.389 24.118 1.00 55.42 H new ATOM 0 HE1 MET A 83 -9.701 -0.793 26.648 1.00 34.42 H new ATOM 0 HE2 MET A 83 -8.741 -0.434 25.194 1.00 34.42 H new ATOM 0 HE3 MET A 83 -10.493 -0.125 25.201 1.00 34.42 H new ATOM 1343 N ASN A 84 -10.666 -1.129 19.535 1.00 52.11 N ATOM 1344 CA ASN A 84 -10.841 -0.210 18.416 1.00 61.22 C ATOM 1345 C ASN A 84 -9.596 0.650 18.219 1.00 73.12 C ATOM 1346 O ASN A 84 -9.691 1.828 17.872 1.00 42.11 O ATOM 1347 CB ASN A 84 -12.061 0.684 18.648 1.00 23.43 C ATOM 1348 CG ASN A 84 -12.638 1.222 17.353 1.00 11.15 C ATOM 1349 OD1 ASN A 84 -13.308 0.502 16.613 1.00 51.21 O ATOM 1350 ND2 ASN A 84 -12.380 2.494 17.075 1.00 43.53 N ATOM 0 H ASN A 84 -10.688 -2.116 19.278 1.00 52.11 H new ATOM 0 HA ASN A 84 -10.999 -0.801 17.514 1.00 61.22 H new ATOM 0 HB2 ASN A 84 -12.828 0.118 19.177 1.00 23.43 H new ATOM 0 HB3 ASN A 84 -11.780 1.518 19.291 1.00 23.43 H new ATOM 0 HD21 ASN A 84 -12.742 2.912 16.218 1.00 43.53 H new ATOM 0 HD22 ASN A 84 -11.820 3.053 17.718 1.00 43.53 H new ATOM 1357 N LEU A 85 -8.430 0.053 18.442 1.00 54.53 N ATOM 1358 CA LEU A 85 -7.166 0.764 18.288 1.00 3.11 C ATOM 1359 C LEU A 85 -6.578 0.537 16.899 1.00 74.41 C ATOM 1360 O LEU A 85 -5.364 0.612 16.707 1.00 70.24 O ATOM 1361 CB LEU A 85 -6.170 0.309 19.356 1.00 4.32 C ATOM 1362 CG LEU A 85 -6.087 1.180 20.611 1.00 64.33 C ATOM 1363 CD1 LEU A 85 -5.889 2.640 20.235 1.00 24.01 C ATOM 1364 CD2 LEU A 85 -7.337 1.011 21.461 1.00 73.42 C ATOM 0 H LEU A 85 -8.334 -0.921 18.730 1.00 54.53 H new ATOM 0 HA LEU A 85 -7.360 1.830 18.410 1.00 3.11 H new ATOM 0 HB2 LEU A 85 -6.430 -0.705 19.659 1.00 4.32 H new ATOM 0 HB3 LEU A 85 -5.179 0.262 18.904 1.00 4.32 H new ATOM 0 HG LEU A 85 -5.227 0.857 21.198 1.00 64.33 H new ATOM 0 HD11 LEU A 85 -5.832 3.244 21.140 1.00 24.01 H new ATOM 0 HD12 LEU A 85 -4.964 2.748 19.668 1.00 24.01 H new ATOM 0 HD13 LEU A 85 -6.729 2.976 19.626 1.00 24.01 H new ATOM 0 HD21 LEU A 85 -7.260 1.638 22.349 1.00 73.42 H new ATOM 0 HD22 LEU A 85 -8.213 1.306 20.883 1.00 73.42 H new ATOM 0 HD23 LEU A 85 -7.435 -0.032 21.761 1.00 73.42 H new ATOM 1376 N LEU A 86 -7.447 0.260 15.933 1.00 14.20 N ATOM 1377 CA LEU A 86 -7.016 0.024 14.560 1.00 65.02 C ATOM 1378 C LEU A 86 -6.356 1.269 13.975 1.00 63.43 C ATOM 1379 O LEU A 86 -5.706 1.205 12.932 1.00 43.51 O ATOM 1380 CB LEU A 86 -8.206 -0.391 13.694 1.00 54.41 C ATOM 1381 CG LEU A 86 -9.168 0.729 13.295 1.00 53.11 C ATOM 1382 CD1 LEU A 86 -8.767 1.325 11.955 1.00 41.14 C ATOM 1383 CD2 LEU A 86 -10.598 0.211 13.243 1.00 31.24 C ATOM 0 H LEU A 86 -8.455 0.193 16.076 1.00 14.20 H new ATOM 0 HA LEU A 86 -6.283 -0.783 14.569 1.00 65.02 H new ATOM 0 HB2 LEU A 86 -7.824 -0.856 12.785 1.00 54.41 H new ATOM 0 HB3 LEU A 86 -8.771 -1.154 14.229 1.00 54.41 H new ATOM 0 HG LEU A 86 -9.114 1.514 14.050 1.00 53.11 H new ATOM 0 HD11 LEU A 86 -9.463 2.120 11.688 1.00 41.14 H new ATOM 0 HD12 LEU A 86 -7.759 1.734 12.026 1.00 41.14 H new ATOM 0 HD13 LEU A 86 -8.791 0.549 11.190 1.00 41.14 H new ATOM 0 HD21 LEU A 86 -11.268 1.022 12.958 1.00 31.24 H new ATOM 0 HD22 LEU A 86 -10.667 -0.593 12.510 1.00 31.24 H new ATOM 0 HD23 LEU A 86 -10.884 -0.168 14.224 1.00 31.24 H new ATOM 1395 N GLU A 87 -6.526 2.398 14.655 1.00 33.10 N ATOM 1396 CA GLU A 87 -5.946 3.657 14.203 1.00 63.45 C ATOM 1397 C GLU A 87 -4.446 3.508 13.960 1.00 14.21 C ATOM 1398 O GLU A 87 -3.997 3.410 12.817 1.00 34.03 O ATOM 1399 CB GLU A 87 -6.200 4.760 15.231 1.00 13.42 C ATOM 1400 CG GLU A 87 -5.364 6.008 15.004 1.00 1.54 C ATOM 1401 CD GLU A 87 -6.100 7.280 15.381 1.00 64.05 C ATOM 1402 OE1 GLU A 87 -7.090 7.615 14.698 1.00 13.40 O ATOM 1403 OE2 GLU A 87 -5.685 7.939 16.356 1.00 1.53 O ATOM 0 H GLU A 87 -7.061 2.467 15.521 1.00 33.10 H new ATOM 0 HA GLU A 87 -6.424 3.931 13.263 1.00 63.45 H new ATOM 0 HB2 GLU A 87 -7.256 5.031 15.207 1.00 13.42 H new ATOM 0 HB3 GLU A 87 -5.993 4.371 16.228 1.00 13.42 H new ATOM 0 HG2 GLU A 87 -4.446 5.937 15.588 1.00 1.54 H new ATOM 0 HG3 GLU A 87 -5.072 6.059 13.955 1.00 1.54 H new ATOM 1410 N LEU A 88 -3.677 3.493 15.043 1.00 41.22 N ATOM 1411 CA LEU A 88 -2.227 3.357 14.949 1.00 14.44 C ATOM 1412 C LEU A 88 -1.837 1.928 14.589 1.00 25.44 C ATOM 1413 O LEU A 88 -0.788 1.692 13.989 1.00 70.21 O ATOM 1414 CB LEU A 88 -1.571 3.760 16.271 1.00 14.12 C ATOM 1415 CG LEU A 88 -1.389 2.642 17.298 1.00 20.11 C ATOM 1416 CD1 LEU A 88 -2.718 1.963 17.590 1.00 52.20 C ATOM 1417 CD2 LEU A 88 -0.367 1.628 16.806 1.00 22.42 C ATOM 0 H LEU A 88 -4.032 3.573 15.996 1.00 41.22 H new ATOM 0 HA LEU A 88 -1.874 4.020 14.159 1.00 14.44 H new ATOM 0 HB2 LEU A 88 -0.593 4.188 16.052 1.00 14.12 H new ATOM 0 HB3 LEU A 88 -2.170 4.549 16.725 1.00 14.12 H new ATOM 0 HG LEU A 88 -1.019 3.082 18.224 1.00 20.11 H new ATOM 0 HD11 LEU A 88 -2.568 1.170 18.323 1.00 52.20 H new ATOM 0 HD12 LEU A 88 -3.421 2.695 17.986 1.00 52.20 H new ATOM 0 HD13 LEU A 88 -3.118 1.536 16.670 1.00 52.20 H new ATOM 0 HD21 LEU A 88 -0.250 0.839 17.549 1.00 22.42 H new ATOM 0 HD22 LEU A 88 -0.709 1.193 15.867 1.00 22.42 H new ATOM 0 HD23 LEU A 88 0.591 2.124 16.649 1.00 22.42 H new ATOM 1429 N VAL A 89 -2.688 0.976 14.959 1.00 60.11 N ATOM 1430 CA VAL A 89 -2.434 -0.431 14.672 1.00 3.22 C ATOM 1431 C VAL A 89 -2.214 -0.657 13.181 1.00 42.34 C ATOM 1432 O VAL A 89 -1.487 -1.567 12.780 1.00 15.35 O ATOM 1433 CB VAL A 89 -3.597 -1.320 15.149 1.00 74.11 C ATOM 1434 CG1 VAL A 89 -3.753 -2.529 14.239 1.00 53.01 C ATOM 1435 CG2 VAL A 89 -3.381 -1.752 16.591 1.00 22.51 C ATOM 0 H VAL A 89 -3.560 1.154 15.458 1.00 60.11 H new ATOM 0 HA VAL A 89 -1.530 -0.706 15.215 1.00 3.22 H new ATOM 0 HB VAL A 89 -4.518 -0.739 15.102 1.00 74.11 H new ATOM 0 HG11 VAL A 89 -4.580 -3.146 14.592 1.00 53.01 H new ATOM 0 HG12 VAL A 89 -3.958 -2.195 13.222 1.00 53.01 H new ATOM 0 HG13 VAL A 89 -2.833 -3.114 14.250 1.00 53.01 H new ATOM 0 HG21 VAL A 89 -4.213 -2.380 16.911 1.00 22.51 H new ATOM 0 HG22 VAL A 89 -2.451 -2.316 16.667 1.00 22.51 H new ATOM 0 HG23 VAL A 89 -3.324 -0.871 17.230 1.00 22.51 H new ATOM 1445 N ASP A 90 -2.845 0.178 12.362 1.00 35.43 N ATOM 1446 CA ASP A 90 -2.718 0.070 10.913 1.00 10.55 C ATOM 1447 C ASP A 90 -1.276 -0.228 10.515 1.00 1.24 C ATOM 1448 O ASP A 90 -1.010 -1.176 9.777 1.00 21.05 O ATOM 1449 CB ASP A 90 -3.189 1.361 10.242 1.00 41.41 C ATOM 1450 CG ASP A 90 -3.621 1.142 8.805 1.00 0.43 C ATOM 1451 OD1 ASP A 90 -2.754 0.815 7.968 1.00 41.11 O ATOM 1452 OD2 ASP A 90 -4.826 1.297 8.518 1.00 12.35 O ATOM 0 H ASP A 90 -3.449 0.937 12.677 1.00 35.43 H new ATOM 0 HA ASP A 90 -3.346 -0.755 10.578 1.00 10.55 H new ATOM 0 HB2 ASP A 90 -4.021 1.779 10.809 1.00 41.41 H new ATOM 0 HB3 ASP A 90 -2.384 2.096 10.269 1.00 41.41 H new ATOM 1457 N GLN A 91 -0.350 0.589 11.009 1.00 73.45 N ATOM 1458 CA GLN A 91 1.064 0.413 10.702 1.00 24.53 C ATOM 1459 C GLN A 91 1.665 -0.716 11.534 1.00 1.11 C ATOM 1460 O GLN A 91 2.159 -1.705 10.992 1.00 24.52 O ATOM 1461 CB GLN A 91 1.829 1.713 10.957 1.00 32.33 C ATOM 1462 CG GLN A 91 2.944 1.969 9.956 1.00 14.43 C ATOM 1463 CD GLN A 91 4.049 2.838 10.524 1.00 62.41 C ATOM 1464 OE1 GLN A 91 4.324 3.925 10.015 1.00 31.30 O ATOM 1465 NE2 GLN A 91 4.691 2.361 11.585 1.00 53.35 N ATOM 0 H GLN A 91 -0.554 1.378 11.623 1.00 73.45 H new ATOM 0 HA GLN A 91 1.151 0.150 9.648 1.00 24.53 H new ATOM 0 HB2 GLN A 91 1.129 2.548 10.930 1.00 32.33 H new ATOM 0 HB3 GLN A 91 2.253 1.685 11.961 1.00 32.33 H new ATOM 0 HG2 GLN A 91 3.365 1.016 9.635 1.00 14.43 H new ATOM 0 HG3 GLN A 91 2.529 2.449 9.070 1.00 14.43 H new ATOM 0 HE21 GLN A 91 4.430 1.455 11.974 1.00 53.35 H new ATOM 0 HE22 GLN A 91 5.445 2.901 12.010 1.00 53.35 H new ATOM 1474 N LEU A 92 1.620 -0.561 12.853 1.00 54.14 N ATOM 1475 CA LEU A 92 2.160 -1.567 13.760 1.00 32.03 C ATOM 1476 C LEU A 92 1.977 -2.970 13.190 1.00 54.33 C ATOM 1477 O LEU A 92 2.919 -3.761 13.146 1.00 52.44 O ATOM 1478 CB LEU A 92 1.480 -1.467 15.127 1.00 73.21 C ATOM 1479 CG LEU A 92 1.711 -2.641 16.079 1.00 1.01 C ATOM 1480 CD1 LEU A 92 0.789 -3.799 15.733 1.00 74.33 C ATOM 1481 CD2 LEU A 92 3.166 -3.084 16.036 1.00 63.24 C ATOM 0 H LEU A 92 1.215 0.252 13.318 1.00 54.14 H new ATOM 0 HA LEU A 92 3.227 -1.379 13.877 1.00 32.03 H new ATOM 0 HB2 LEU A 92 1.824 -0.556 15.616 1.00 73.21 H new ATOM 0 HB3 LEU A 92 0.407 -1.359 14.970 1.00 73.21 H new ATOM 0 HG LEU A 92 1.482 -2.312 17.093 1.00 1.01 H new ATOM 0 HD11 LEU A 92 0.968 -4.625 16.421 1.00 74.33 H new ATOM 0 HD12 LEU A 92 -0.249 -3.476 15.817 1.00 74.33 H new ATOM 0 HD13 LEU A 92 0.985 -4.128 14.713 1.00 74.33 H new ATOM 0 HD21 LEU A 92 3.312 -3.920 16.720 1.00 63.24 H new ATOM 0 HD22 LEU A 92 3.422 -3.394 15.023 1.00 63.24 H new ATOM 0 HD23 LEU A 92 3.808 -2.255 16.335 1.00 63.24 H new ATOM 1493 N SER A 93 0.758 -3.270 12.752 1.00 62.41 N ATOM 1494 CA SER A 93 0.451 -4.578 12.185 1.00 32.30 C ATOM 1495 C SER A 93 1.248 -4.817 10.906 1.00 22.35 C ATOM 1496 O SER A 93 1.873 -5.865 10.737 1.00 0.13 O ATOM 1497 CB SER A 93 -1.047 -4.692 11.894 1.00 21.53 C ATOM 1498 OG SER A 93 -1.281 -5.417 10.699 1.00 24.23 O ATOM 0 H SER A 93 -0.032 -2.626 12.779 1.00 62.41 H new ATOM 0 HA SER A 93 0.732 -5.338 12.915 1.00 32.30 H new ATOM 0 HB2 SER A 93 -1.546 -5.187 12.727 1.00 21.53 H new ATOM 0 HB3 SER A 93 -1.481 -3.696 11.809 1.00 21.53 H new ATOM 0 HG SER A 93 -2.246 -5.477 10.536 1.00 24.23 H new ATOM 1504 N HIS A 94 1.222 -3.838 10.008 1.00 12.33 N ATOM 1505 CA HIS A 94 1.942 -3.940 8.744 1.00 4.12 C ATOM 1506 C HIS A 94 3.448 -3.836 8.967 1.00 22.53 C ATOM 1507 O HIS A 94 4.233 -3.938 8.024 1.00 23.11 O ATOM 1508 CB HIS A 94 1.482 -2.846 7.780 1.00 34.13 C ATOM 1509 CG HIS A 94 0.641 -3.358 6.652 1.00 53.15 C ATOM 1510 ND1 HIS A 94 0.944 -4.503 5.946 1.00 21.33 N ATOM 1511 CD2 HIS A 94 -0.500 -2.874 6.108 1.00 75.13 C ATOM 1512 CE1 HIS A 94 0.027 -4.701 5.016 1.00 32.14 C ATOM 1513 NE2 HIS A 94 -0.861 -3.727 5.093 1.00 15.44 N ATOM 0 H HIS A 94 0.710 -2.965 10.132 1.00 12.33 H new ATOM 0 HA HIS A 94 1.722 -4.914 8.307 1.00 4.12 H new ATOM 0 HB2 HIS A 94 0.915 -2.099 8.335 1.00 34.13 H new ATOM 0 HB3 HIS A 94 2.358 -2.342 7.370 1.00 34.13 H new ATOM 0 HD2 HIS A 94 -1.028 -1.983 6.415 1.00 75.13 H new ATOM 0 HE1 HIS A 94 0.007 -5.520 4.312 1.00 32.14 H new ATOM 0 HE2 HIS A 94 -1.682 -3.624 4.496 1.00 15.44 H new ATOM 1521 N ILE A 95 3.843 -3.633 10.220 1.00 63.35 N ATOM 1522 CA ILE A 95 5.254 -3.517 10.565 1.00 4.44 C ATOM 1523 C ILE A 95 5.805 -4.841 11.082 1.00 21.34 C ATOM 1524 O ILE A 95 6.927 -5.229 10.755 1.00 43.13 O ATOM 1525 CB ILE A 95 5.485 -2.427 11.630 1.00 70.45 C ATOM 1526 CG1 ILE A 95 5.260 -1.039 11.027 1.00 65.12 C ATOM 1527 CG2 ILE A 95 6.888 -2.540 12.207 1.00 41.41 C ATOM 1528 CD1 ILE A 95 6.196 -0.719 9.882 1.00 3.34 C ATOM 0 H ILE A 95 3.206 -3.546 11.012 1.00 63.35 H new ATOM 0 HA ILE A 95 5.780 -3.240 9.652 1.00 4.44 H new ATOM 0 HB ILE A 95 4.768 -2.571 12.439 1.00 70.45 H new ATOM 0 HG12 ILE A 95 4.231 -0.967 10.675 1.00 65.12 H new ATOM 0 HG13 ILE A 95 5.384 -0.288 11.807 1.00 65.12 H new ATOM 0 HG21 ILE A 95 7.036 -1.764 12.958 1.00 41.41 H new ATOM 0 HG22 ILE A 95 7.014 -3.520 12.668 1.00 41.41 H new ATOM 0 HG23 ILE A 95 7.620 -2.418 11.409 1.00 41.41 H new ATOM 0 HD11 ILE A 95 5.980 0.280 9.503 1.00 3.34 H new ATOM 0 HD12 ILE A 95 7.227 -0.759 10.233 1.00 3.34 H new ATOM 0 HD13 ILE A 95 6.056 -1.448 9.083 1.00 3.34 H new