USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=10 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 Single : A 20 SER OG : rot 180:sc=-0.000731 USER MOD Single : A 25 ASN : amide:sc= 0.171 X(o=0.17,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.103 (180deg=-0.657) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= -3.66! (180deg=-4.6!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -38:sc= -1.05! USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -126:sc= 0.0496 (180deg=-0.00807) 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=-0.00118 (180deg=-0.00118) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -149:sc= -2.58! (180deg=-4.07!) USER MOD Single : A 84 ASN : amide:sc= -0.0566 X(o=-0.057,f=-0.37) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 93 SER OG : rot 180:sc=-0.00783 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 11.582 -2.891 18.684 1.00 31.13 N ATOM 165 CA ARG A 12 11.492 -3.161 20.114 1.00 14.32 C ATOM 166 C ARG A 12 11.066 -1.910 20.877 1.00 11.24 C ATOM 167 O ARG A 12 10.171 -1.961 21.721 1.00 43.44 O ATOM 168 CB ARG A 12 12.835 -3.663 20.646 1.00 60.10 C ATOM 169 CG ARG A 12 14.006 -2.760 20.293 1.00 32.32 C ATOM 170 CD ARG A 12 15.334 -3.487 20.439 1.00 35.15 C ATOM 171 NE ARG A 12 15.459 -4.593 19.494 1.00 44.34 N ATOM 172 CZ ARG A 12 16.614 -5.181 19.200 1.00 52.53 C ATOM 173 NH1 ARG A 12 17.736 -4.771 19.775 1.00 13.14 N ATOM 174 NH2 ARG A 12 16.647 -6.181 18.329 1.00 44.25 N ATOM 0 HA ARG A 12 10.738 -3.933 20.266 1.00 14.32 H new ATOM 0 HB2 ARG A 12 12.774 -3.758 21.730 1.00 60.10 H new ATOM 0 HB3 ARG A 12 13.024 -4.660 20.249 1.00 60.10 H new ATOM 0 HG2 ARG A 12 13.896 -2.403 19.269 1.00 32.32 H new ATOM 0 HG3 ARG A 12 13.998 -1.882 20.939 1.00 32.32 H new ATOM 0 HD2 ARG A 12 16.152 -2.783 20.283 1.00 35.15 H new ATOM 0 HD3 ARG A 12 15.429 -3.867 21.456 1.00 35.15 H new ATOM 0 HE ARG A 12 14.614 -4.933 19.035 1.00 44.34 H new ATOM 0 HH11 ARG A 12 17.714 -4.002 20.445 1.00 13.14 H new ATOM 0 HH12 ARG A 12 18.621 -5.224 19.547 1.00 13.14 H new ATOM 0 HH21 ARG A 12 15.786 -6.499 17.885 1.00 44.25 H new ATOM 0 HH22 ARG A 12 17.534 -6.632 18.104 1.00 44.25 H new ATOM 188 N GLU A 13 11.714 -0.789 20.575 1.00 30.11 N ATOM 189 CA GLU A 13 11.403 0.474 21.234 1.00 32.12 C ATOM 190 C GLU A 13 9.997 0.945 20.872 1.00 64.04 C ATOM 191 O GLU A 13 9.409 1.770 21.569 1.00 12.51 O ATOM 192 CB GLU A 13 12.427 1.543 20.846 1.00 33.25 C ATOM 193 CG GLU A 13 13.785 1.349 21.499 1.00 44.15 C ATOM 194 CD GLU A 13 14.592 2.632 21.558 1.00 21.30 C ATOM 195 OE1 GLU A 13 14.144 3.585 22.229 1.00 30.42 O ATOM 196 OE2 GLU A 13 15.672 2.682 20.933 1.00 23.01 O ATOM 0 H GLU A 13 12.457 -0.730 19.879 1.00 30.11 H new ATOM 0 HA GLU A 13 11.447 0.313 22.311 1.00 32.12 H new ATOM 0 HB2 GLU A 13 12.550 1.540 19.763 1.00 33.25 H new ATOM 0 HB3 GLU A 13 12.038 2.524 21.120 1.00 33.25 H new ATOM 0 HG2 GLU A 13 13.647 0.964 22.509 1.00 44.15 H new ATOM 0 HG3 GLU A 13 14.346 0.596 20.945 1.00 44.15 H new ATOM 203 N ALA A 14 9.466 0.414 19.775 1.00 2.11 N ATOM 204 CA ALA A 14 8.130 0.778 19.320 1.00 3.31 C ATOM 205 C ALA A 14 7.062 0.227 20.258 1.00 74.23 C ATOM 206 O ALA A 14 6.064 0.893 20.539 1.00 24.14 O ATOM 207 CB ALA A 14 7.901 0.277 17.902 1.00 72.10 C ATOM 0 H ALA A 14 9.941 -0.270 19.185 1.00 2.11 H new ATOM 0 HA ALA A 14 8.054 1.865 19.325 1.00 3.31 H new ATOM 0 HB1 ALA A 14 6.899 0.556 17.575 1.00 72.10 H new ATOM 0 HB2 ALA A 14 8.638 0.724 17.235 1.00 72.10 H new ATOM 0 HB3 ALA A 14 8.001 -0.808 17.879 1.00 72.10 H new ATOM 213 N LEU A 15 7.275 -0.993 20.738 1.00 60.33 N ATOM 214 CA LEU A 15 6.329 -1.635 21.644 1.00 61.31 C ATOM 215 C LEU A 15 6.330 -0.950 23.007 1.00 72.14 C ATOM 216 O LEU A 15 5.283 -0.798 23.637 1.00 12.45 O ATOM 217 CB LEU A 15 6.673 -3.117 21.805 1.00 34.13 C ATOM 218 CG LEU A 15 5.617 -3.979 22.499 1.00 60.24 C ATOM 219 CD1 LEU A 15 5.729 -3.848 24.010 1.00 65.54 C ATOM 220 CD2 LEU A 15 4.222 -3.593 22.030 1.00 15.04 C ATOM 0 H LEU A 15 8.095 -1.558 20.515 1.00 60.33 H new ATOM 0 HA LEU A 15 5.332 -1.544 21.213 1.00 61.31 H new ATOM 0 HB2 LEU A 15 6.862 -3.535 20.816 1.00 34.13 H new ATOM 0 HB3 LEU A 15 7.604 -3.195 22.367 1.00 34.13 H new ATOM 0 HG LEU A 15 5.793 -5.021 22.232 1.00 60.24 H new ATOM 0 HD11 LEU A 15 4.970 -4.468 24.486 1.00 65.54 H new ATOM 0 HD12 LEU A 15 6.718 -4.174 24.331 1.00 65.54 H new ATOM 0 HD13 LEU A 15 5.580 -2.807 24.297 1.00 65.54 H new ATOM 0 HD21 LEU A 15 3.483 -4.216 22.534 1.00 15.04 H new ATOM 0 HD22 LEU A 15 4.035 -2.546 22.267 1.00 15.04 H new ATOM 0 HD23 LEU A 15 4.147 -3.740 20.953 1.00 15.04 H new ATOM 232 N LEU A 16 7.510 -0.537 23.454 1.00 2.25 N ATOM 233 CA LEU A 16 7.647 0.135 24.742 1.00 4.11 C ATOM 234 C LEU A 16 7.001 1.516 24.707 1.00 12.23 C ATOM 235 O LEU A 16 6.302 1.909 25.642 1.00 72.45 O ATOM 236 CB LEU A 16 9.125 0.260 25.119 1.00 14.52 C ATOM 237 CG LEU A 16 10.001 -0.954 24.811 1.00 4.20 C ATOM 238 CD1 LEU A 16 11.463 -0.641 25.089 1.00 4.12 C ATOM 239 CD2 LEU A 16 9.548 -2.159 25.623 1.00 42.44 C ATOM 0 H LEU A 16 8.386 -0.655 22.945 1.00 2.25 H new ATOM 0 HA LEU A 16 7.136 -0.466 25.494 1.00 4.11 H new ATOM 0 HB2 LEU A 16 9.540 1.124 24.599 1.00 14.52 H new ATOM 0 HB3 LEU A 16 9.191 0.469 26.187 1.00 14.52 H new ATOM 0 HG LEU A 16 9.897 -1.194 23.753 1.00 4.20 H new ATOM 0 HD11 LEU A 16 12.072 -1.517 24.864 1.00 4.12 H new ATOM 0 HD12 LEU A 16 11.782 0.193 24.464 1.00 4.12 H new ATOM 0 HD13 LEU A 16 11.585 -0.374 26.139 1.00 4.12 H new ATOM 0 HD21 LEU A 16 10.183 -3.014 25.391 1.00 42.44 H new ATOM 0 HD22 LEU A 16 9.622 -1.930 26.686 1.00 42.44 H new ATOM 0 HD23 LEU A 16 8.514 -2.397 25.375 1.00 42.44 H new ATOM 251 N TRP A 17 7.237 2.247 23.624 1.00 61.11 N ATOM 252 CA TRP A 17 6.676 3.584 23.467 1.00 74.25 C ATOM 253 C TRP A 17 5.183 3.515 23.165 1.00 54.12 C ATOM 254 O TRP A 17 4.420 4.399 23.554 1.00 21.02 O ATOM 255 CB TRP A 17 7.400 4.335 22.349 1.00 43.42 C ATOM 256 CG TRP A 17 7.245 5.824 22.436 1.00 70.41 C ATOM 257 CD1 TRP A 17 7.551 6.618 23.503 1.00 5.53 C ATOM 258 CD2 TRP A 17 6.743 6.694 21.416 1.00 64.02 C ATOM 259 NE1 TRP A 17 7.271 7.931 23.208 1.00 35.21 N ATOM 260 CE2 TRP A 17 6.775 8.004 21.933 1.00 34.24 C ATOM 261 CE3 TRP A 17 6.273 6.495 20.115 1.00 20.11 C ATOM 262 CZ2 TRP A 17 6.352 9.106 21.195 1.00 61.11 C ATOM 263 CZ3 TRP A 17 5.854 7.590 19.384 1.00 73.24 C ATOM 264 CH2 TRP A 17 5.896 8.882 19.924 1.00 22.22 C ATOM 0 H TRP A 17 7.813 1.937 22.841 1.00 61.11 H new ATOM 0 HA TRP A 17 6.814 4.122 24.405 1.00 74.25 H new ATOM 0 HB2 TRP A 17 8.460 4.085 22.381 1.00 43.42 H new ATOM 0 HB3 TRP A 17 7.020 3.993 21.386 1.00 43.42 H new ATOM 0 HD1 TRP A 17 7.954 6.266 24.441 1.00 5.53 H new ATOM 0 HE1 TRP A 17 7.410 8.722 23.836 1.00 35.21 H new ATOM 0 HE3 TRP A 17 6.238 5.503 19.689 1.00 20.11 H new ATOM 0 HZ2 TRP A 17 6.383 10.102 21.611 1.00 61.11 H new ATOM 0 HZ3 TRP A 17 5.487 7.447 18.378 1.00 73.24 H new ATOM 0 HH2 TRP A 17 5.562 9.717 19.326 1.00 22.22 H new ATOM 275 N ALA A 18 4.772 2.460 22.469 1.00 32.10 N ATOM 276 CA ALA A 18 3.369 2.276 22.117 1.00 23.55 C ATOM 277 C ALA A 18 2.549 1.858 23.333 1.00 11.22 C ATOM 278 O ALA A 18 1.610 2.551 23.729 1.00 22.41 O ATOM 279 CB ALA A 18 3.235 1.243 21.008 1.00 54.32 C ATOM 0 H ALA A 18 5.391 1.720 22.138 1.00 32.10 H new ATOM 0 HA ALA A 18 2.981 3.230 21.760 1.00 23.55 H new ATOM 0 HB1 ALA A 18 2.183 1.115 20.755 1.00 54.32 H new ATOM 0 HB2 ALA A 18 3.781 1.581 20.128 1.00 54.32 H new ATOM 0 HB3 ALA A 18 3.645 0.291 21.346 1.00 54.32 H new ATOM 285 N LEU A 19 2.908 0.722 23.922 1.00 53.54 N ATOM 286 CA LEU A 19 2.204 0.212 25.093 1.00 51.00 C ATOM 287 C LEU A 19 2.093 1.284 26.172 1.00 42.50 C ATOM 288 O LEU A 19 1.164 1.273 26.980 1.00 65.13 O ATOM 289 CB LEU A 19 2.925 -1.016 25.651 1.00 63.22 C ATOM 290 CG LEU A 19 4.193 -0.740 26.460 1.00 32.02 C ATOM 291 CD1 LEU A 19 3.841 -0.362 27.891 1.00 70.13 C ATOM 292 CD2 LEU A 19 5.114 -1.951 26.438 1.00 43.12 C ATOM 0 H LEU A 19 3.682 0.137 23.608 1.00 53.54 H new ATOM 0 HA LEU A 19 1.198 -0.073 24.785 1.00 51.00 H new ATOM 0 HB2 LEU A 19 2.228 -1.566 26.283 1.00 63.22 H new ATOM 0 HB3 LEU A 19 3.184 -1.670 24.818 1.00 63.22 H new ATOM 0 HG LEU A 19 4.718 0.099 26.002 1.00 32.02 H new ATOM 0 HD11 LEU A 19 4.756 -0.169 28.452 1.00 70.13 H new ATOM 0 HD12 LEU A 19 3.221 0.534 27.889 1.00 70.13 H new ATOM 0 HD13 LEU A 19 3.294 -1.180 28.359 1.00 70.13 H new ATOM 0 HD21 LEU A 19 6.011 -1.736 27.019 1.00 43.12 H new ATOM 0 HD22 LEU A 19 4.598 -2.808 26.871 1.00 43.12 H new ATOM 0 HD23 LEU A 19 5.393 -2.177 25.409 1.00 43.12 H new ATOM 304 N SER A 20 3.046 2.212 26.178 1.00 73.54 N ATOM 305 CA SER A 20 3.056 3.291 27.158 1.00 22.21 C ATOM 306 C SER A 20 2.278 4.498 26.645 1.00 13.41 C ATOM 307 O SER A 20 1.861 5.358 27.422 1.00 70.11 O ATOM 308 CB SER A 20 4.494 3.698 27.484 1.00 24.14 C ATOM 309 OG SER A 20 4.546 5.014 28.007 1.00 13.02 O ATOM 0 H SER A 20 3.821 2.237 25.515 1.00 73.54 H new ATOM 0 HA SER A 20 2.573 2.929 28.066 1.00 22.21 H new ATOM 0 HB2 SER A 20 4.918 3.000 28.206 1.00 24.14 H new ATOM 0 HB3 SER A 20 5.105 3.637 26.584 1.00 24.14 H new ATOM 0 HG SER A 20 5.476 5.249 28.209 1.00 13.02 H new ATOM 315 N ASP A 21 2.086 4.556 25.332 1.00 53.01 N ATOM 316 CA ASP A 21 1.357 5.657 24.713 1.00 15.14 C ATOM 317 C ASP A 21 -0.111 5.638 25.129 1.00 53.14 C ATOM 318 O ASP A 21 -0.806 6.651 25.039 1.00 10.32 O ATOM 319 CB ASP A 21 1.469 5.580 23.190 1.00 24.30 C ATOM 320 CG ASP A 21 2.193 6.775 22.602 1.00 61.03 C ATOM 321 OD1 ASP A 21 2.909 7.465 23.357 1.00 54.51 O ATOM 322 OD2 ASP A 21 2.043 7.020 21.386 1.00 3.42 O ATOM 0 H ASP A 21 2.425 3.853 24.675 1.00 53.01 H new ATOM 0 HA ASP A 21 1.802 6.592 25.055 1.00 15.14 H new ATOM 0 HB2 ASP A 21 1.996 4.667 22.913 1.00 24.30 H new ATOM 0 HB3 ASP A 21 0.470 5.515 22.758 1.00 24.30 H new ATOM 327 N LEU A 22 -0.578 4.480 25.582 1.00 65.32 N ATOM 328 CA LEU A 22 -1.964 4.328 26.010 1.00 23.12 C ATOM 329 C LEU A 22 -2.071 4.368 27.531 1.00 31.22 C ATOM 330 O LEU A 22 -1.101 4.098 28.238 1.00 2.02 O ATOM 331 CB LEU A 22 -2.541 3.014 25.481 1.00 24.41 C ATOM 332 CG LEU A 22 -1.549 1.861 25.323 1.00 21.54 C ATOM 333 CD1 LEU A 22 -2.221 0.532 25.636 1.00 45.32 C ATOM 334 CD2 LEU A 22 -0.965 1.848 23.918 1.00 31.42 C ATOM 0 H LEU A 22 -0.017 3.632 25.662 1.00 65.32 H new ATOM 0 HA LEU A 22 -2.538 5.160 25.602 1.00 23.12 H new ATOM 0 HB2 LEU A 22 -3.337 2.693 26.153 1.00 24.41 H new ATOM 0 HB3 LEU A 22 -3.001 3.206 24.512 1.00 24.41 H new ATOM 0 HG LEU A 22 -0.734 2.009 26.032 1.00 21.54 H new ATOM 0 HD11 LEU A 22 -1.500 -0.277 25.518 1.00 45.32 H new ATOM 0 HD12 LEU A 22 -2.589 0.543 26.662 1.00 45.32 H new ATOM 0 HD13 LEU A 22 -3.056 0.376 24.952 1.00 45.32 H new ATOM 0 HD21 LEU A 22 -0.261 1.021 23.824 1.00 31.42 H new ATOM 0 HD22 LEU A 22 -1.768 1.725 23.191 1.00 31.42 H new ATOM 0 HD23 LEU A 22 -0.447 2.788 23.731 1.00 31.42 H new ATOM 346 N GLU A 23 -3.258 4.704 28.027 1.00 2.11 N ATOM 347 CA GLU A 23 -3.491 4.777 29.465 1.00 53.44 C ATOM 348 C GLU A 23 -3.427 3.390 30.098 1.00 51.43 C ATOM 349 O GLU A 23 -3.650 2.382 29.430 1.00 72.45 O ATOM 350 CB GLU A 23 -4.851 5.418 29.751 1.00 50.23 C ATOM 351 CG GLU A 23 -4.890 6.912 29.475 1.00 71.11 C ATOM 352 CD GLU A 23 -6.292 7.417 29.195 1.00 33.04 C ATOM 353 OE1 GLU A 23 -7.084 6.667 28.587 1.00 65.20 O ATOM 354 OE2 GLU A 23 -6.598 8.563 29.586 1.00 51.32 O ATOM 0 H GLU A 23 -4.072 4.930 27.455 1.00 2.11 H new ATOM 0 HA GLU A 23 -2.707 5.394 29.904 1.00 53.44 H new ATOM 0 HB2 GLU A 23 -5.610 4.925 29.144 1.00 50.23 H new ATOM 0 HB3 GLU A 23 -5.114 5.243 30.794 1.00 50.23 H new ATOM 0 HG2 GLU A 23 -4.480 7.447 30.332 1.00 71.11 H new ATOM 0 HG3 GLU A 23 -4.250 7.137 28.622 1.00 71.11 H new ATOM 361 N GLU A 24 -3.120 3.350 31.390 1.00 3.14 N ATOM 362 CA GLU A 24 -3.025 2.087 32.113 1.00 4.22 C ATOM 363 C GLU A 24 -4.356 1.343 32.085 1.00 34.25 C ATOM 364 O GLU A 24 -4.392 0.114 32.049 1.00 23.44 O ATOM 365 CB GLU A 24 -2.596 2.334 33.561 1.00 23.22 C ATOM 366 CG GLU A 24 -3.705 2.889 34.439 1.00 73.45 C ATOM 367 CD GLU A 24 -4.186 4.251 33.979 1.00 11.40 C ATOM 368 OE1 GLU A 24 -3.365 5.192 33.955 1.00 50.24 O ATOM 369 OE2 GLU A 24 -5.382 4.377 33.644 1.00 14.34 O ATOM 0 H GLU A 24 -2.933 4.177 31.958 1.00 3.14 H new ATOM 0 HA GLU A 24 -2.274 1.471 31.619 1.00 4.22 H new ATOM 0 HB2 GLU A 24 -2.239 1.398 33.990 1.00 23.22 H new ATOM 0 HB3 GLU A 24 -1.756 3.029 33.569 1.00 23.22 H new ATOM 0 HG2 GLU A 24 -4.544 2.193 34.441 1.00 73.45 H new ATOM 0 HG3 GLU A 24 -3.348 2.962 35.466 1.00 73.45 H new ATOM 376 N ASN A 25 -5.450 2.098 32.103 1.00 31.22 N ATOM 377 CA ASN A 25 -6.785 1.510 32.081 1.00 2.43 C ATOM 378 C ASN A 25 -7.116 0.965 30.696 1.00 54.04 C ATOM 379 O ASN A 25 -8.218 0.468 30.460 1.00 1.01 O ATOM 380 CB ASN A 25 -7.829 2.549 32.496 1.00 3.21 C ATOM 381 CG ASN A 25 -8.332 2.330 33.910 1.00 50.52 C ATOM 382 OD1 ASN A 25 -9.072 1.384 34.178 1.00 61.43 O ATOM 383 ND2 ASN A 25 -7.932 3.208 34.823 1.00 50.25 N ATOM 0 H ASN A 25 -5.438 3.118 32.133 1.00 31.22 H new ATOM 0 HA ASN A 25 -6.803 0.683 32.791 1.00 2.43 H new ATOM 0 HB2 ASN A 25 -7.396 3.546 32.418 1.00 3.21 H new ATOM 0 HB3 ASN A 25 -8.670 2.511 31.804 1.00 3.21 H new ATOM 0 HD21 ASN A 25 -8.239 3.113 35.791 1.00 50.25 H new ATOM 0 HD22 ASN A 25 -7.318 3.977 34.556 1.00 50.25 H new ATOM 390 N ASP A 26 -6.156 1.061 29.783 1.00 51.12 N ATOM 391 CA ASP A 26 -6.345 0.576 28.420 1.00 2.15 C ATOM 392 C ASP A 26 -5.493 -0.663 28.162 1.00 41.31 C ATOM 393 O ASP A 26 -6.011 -1.723 27.809 1.00 2.51 O ATOM 394 CB ASP A 26 -5.993 1.672 27.413 1.00 61.31 C ATOM 395 CG ASP A 26 -6.940 2.853 27.488 1.00 3.33 C ATOM 396 OD1 ASP A 26 -7.263 3.283 28.615 1.00 4.31 O ATOM 397 OD2 ASP A 26 -7.359 3.347 26.420 1.00 4.53 O ATOM 0 H ASP A 26 -5.239 1.470 29.962 1.00 51.12 H new ATOM 0 HA ASP A 26 -7.394 0.305 28.298 1.00 2.15 H new ATOM 0 HB2 ASP A 26 -4.974 2.015 27.595 1.00 61.31 H new ATOM 0 HB3 ASP A 26 -6.014 1.256 26.406 1.00 61.31 H new ATOM 402 N PHE A 27 -4.183 -0.521 28.339 1.00 74.54 N ATOM 403 CA PHE A 27 -3.259 -1.628 28.122 1.00 30.44 C ATOM 404 C PHE A 27 -3.643 -2.832 28.978 1.00 63.43 C ATOM 405 O PHE A 27 -3.498 -3.980 28.556 1.00 54.04 O ATOM 406 CB PHE A 27 -1.827 -1.195 28.444 1.00 33.44 C ATOM 407 CG PHE A 27 -0.860 -2.341 28.533 1.00 70.00 C ATOM 408 CD1 PHE A 27 -0.283 -2.868 27.389 1.00 43.42 C ATOM 409 CD2 PHE A 27 -0.529 -2.892 29.760 1.00 4.24 C ATOM 410 CE1 PHE A 27 0.608 -3.922 27.467 1.00 41.33 C ATOM 411 CE2 PHE A 27 0.362 -3.946 29.845 1.00 52.54 C ATOM 412 CZ PHE A 27 0.930 -4.462 28.696 1.00 12.13 C ATOM 0 H PHE A 27 -3.738 0.349 28.632 1.00 74.54 H new ATOM 0 HA PHE A 27 -3.317 -1.917 27.073 1.00 30.44 H new ATOM 0 HB2 PHE A 27 -1.485 -0.500 27.677 1.00 33.44 H new ATOM 0 HB3 PHE A 27 -1.824 -0.653 29.390 1.00 33.44 H new ATOM 0 HD1 PHE A 27 -0.532 -2.450 26.425 1.00 43.42 H new ATOM 0 HD2 PHE A 27 -0.972 -2.494 30.661 1.00 4.24 H new ATOM 0 HE1 PHE A 27 1.052 -4.323 26.567 1.00 41.33 H new ATOM 0 HE2 PHE A 27 0.614 -4.365 30.808 1.00 52.54 H new ATOM 0 HZ PHE A 27 1.625 -5.286 28.759 1.00 12.13 H new ATOM 422 N LYS A 28 -4.132 -2.562 30.183 1.00 31.31 N ATOM 423 CA LYS A 28 -4.538 -3.621 31.099 1.00 21.35 C ATOM 424 C LYS A 28 -5.795 -4.323 30.597 1.00 35.31 C ATOM 425 O LYS A 28 -5.918 -5.545 30.693 1.00 1.42 O ATOM 426 CB LYS A 28 -4.785 -3.048 32.497 1.00 42.12 C ATOM 427 CG LYS A 28 -5.293 -4.074 33.494 1.00 34.32 C ATOM 428 CD LYS A 28 -4.787 -3.787 34.898 1.00 50.54 C ATOM 429 CE LYS A 28 -3.289 -4.024 35.009 1.00 2.02 C ATOM 430 NZ LYS A 28 -2.907 -5.386 34.545 1.00 70.41 N ATOM 0 H LYS A 28 -4.257 -1.618 30.548 1.00 31.31 H new ATOM 0 HA LYS A 28 -3.731 -4.352 31.150 1.00 21.35 H new ATOM 0 HB2 LYS A 28 -3.857 -2.617 32.873 1.00 42.12 H new ATOM 0 HB3 LYS A 28 -5.508 -2.235 32.425 1.00 42.12 H new ATOM 0 HG2 LYS A 28 -6.383 -4.075 33.492 1.00 34.32 H new ATOM 0 HG3 LYS A 28 -4.973 -5.070 33.188 1.00 34.32 H new ATOM 0 HD2 LYS A 28 -5.014 -2.755 35.164 1.00 50.54 H new ATOM 0 HD3 LYS A 28 -5.311 -4.423 35.612 1.00 50.54 H new ATOM 0 HE2 LYS A 28 -2.758 -3.277 34.418 1.00 2.02 H new ATOM 0 HE3 LYS A 28 -2.976 -3.892 36.045 1.00 2.02 H new ATOM 0 HZ1 LYS A 28 -1.962 -5.624 34.908 1.00 70.41 H new ATOM 0 HZ2 LYS A 28 -3.598 -6.079 34.897 1.00 70.41 H new ATOM 0 HZ3 LYS A 28 -2.894 -5.408 33.505 1.00 70.41 H new ATOM 444 N LYS A 29 -6.728 -3.544 30.059 1.00 22.05 N ATOM 445 CA LYS A 29 -7.975 -4.090 29.539 1.00 73.42 C ATOM 446 C LYS A 29 -7.705 -5.113 28.440 1.00 23.32 C ATOM 447 O LYS A 29 -8.225 -6.229 28.475 1.00 23.42 O ATOM 448 CB LYS A 29 -8.861 -2.966 28.997 1.00 73.43 C ATOM 449 CG LYS A 29 -10.173 -2.810 29.747 1.00 62.31 C ATOM 450 CD LYS A 29 -9.952 -2.274 31.151 1.00 5.41 C ATOM 451 CE LYS A 29 -11.096 -1.374 31.591 1.00 75.02 C ATOM 452 NZ LYS A 29 -12.208 -2.151 32.205 1.00 74.54 N ATOM 0 H LYS A 29 -6.643 -2.531 29.972 1.00 22.05 H new ATOM 0 HA LYS A 29 -8.493 -4.590 30.358 1.00 73.42 H new ATOM 0 HB2 LYS A 29 -8.311 -2.026 29.045 1.00 73.43 H new ATOM 0 HB3 LYS A 29 -9.074 -3.158 27.945 1.00 73.43 H new ATOM 0 HG2 LYS A 29 -10.829 -2.135 29.198 1.00 62.31 H new ATOM 0 HG3 LYS A 29 -10.680 -3.774 29.800 1.00 62.31 H new ATOM 0 HD2 LYS A 29 -9.854 -3.106 31.848 1.00 5.41 H new ATOM 0 HD3 LYS A 29 -9.016 -1.717 31.186 1.00 5.41 H new ATOM 0 HE2 LYS A 29 -10.726 -0.641 32.308 1.00 75.02 H new ATOM 0 HE3 LYS A 29 -11.472 -0.818 30.732 1.00 75.02 H new ATOM 0 HZ1 LYS A 29 -12.968 -1.502 32.492 1.00 74.54 H new ATOM 0 HZ2 LYS A 29 -12.578 -2.833 31.513 1.00 74.54 H new ATOM 0 HZ3 LYS A 29 -11.855 -2.661 33.040 1.00 74.54 H new ATOM 466 N LEU A 30 -6.888 -4.727 27.467 1.00 45.03 N ATOM 467 CA LEU A 30 -6.546 -5.612 26.358 1.00 12.50 C ATOM 468 C LEU A 30 -5.777 -6.833 26.852 1.00 12.54 C ATOM 469 O LEU A 30 -6.143 -7.971 26.559 1.00 43.00 O ATOM 470 CB LEU A 30 -5.716 -4.859 25.316 1.00 33.24 C ATOM 471 CG LEU A 30 -5.443 -3.384 25.613 1.00 34.35 C ATOM 472 CD1 LEU A 30 -4.288 -2.874 24.766 1.00 11.02 C ATOM 473 CD2 LEU A 30 -6.694 -2.551 25.371 1.00 24.21 C ATOM 0 H LEU A 30 -6.450 -3.807 27.423 1.00 45.03 H new ATOM 0 HA LEU A 30 -7.474 -5.952 25.898 1.00 12.50 H new ATOM 0 HB2 LEU A 30 -4.759 -5.370 25.205 1.00 33.24 H new ATOM 0 HB3 LEU A 30 -6.227 -4.927 24.356 1.00 33.24 H new ATOM 0 HG LEU A 30 -5.165 -3.289 26.663 1.00 34.35 H new ATOM 0 HD11 LEU A 30 -4.108 -1.823 24.991 1.00 11.02 H new ATOM 0 HD12 LEU A 30 -3.391 -3.451 24.989 1.00 11.02 H new ATOM 0 HD13 LEU A 30 -4.536 -2.982 23.710 1.00 11.02 H new ATOM 0 HD21 LEU A 30 -6.481 -1.504 25.587 1.00 24.21 H new ATOM 0 HD22 LEU A 30 -7.002 -2.651 24.330 1.00 24.21 H new ATOM 0 HD23 LEU A 30 -7.495 -2.901 26.022 1.00 24.21 H new ATOM 485 N LYS A 31 -4.711 -6.588 27.606 1.00 23.13 N ATOM 486 CA LYS A 31 -3.891 -7.667 28.146 1.00 41.45 C ATOM 487 C LYS A 31 -4.720 -8.587 29.036 1.00 4.34 C ATOM 488 O LYS A 31 -4.506 -9.799 29.063 1.00 3.13 O ATOM 489 CB LYS A 31 -2.715 -7.093 28.940 1.00 74.10 C ATOM 490 CG LYS A 31 -1.586 -6.574 28.066 1.00 34.15 C ATOM 491 CD LYS A 31 -1.086 -7.643 27.109 1.00 5.34 C ATOM 492 CE LYS A 31 0.401 -7.485 26.826 1.00 55.10 C ATOM 493 NZ LYS A 31 0.666 -7.229 25.383 1.00 31.21 N ATOM 0 H LYS A 31 -4.394 -5.652 27.857 1.00 23.13 H new ATOM 0 HA LYS A 31 -3.506 -8.251 27.310 1.00 41.45 H new ATOM 0 HB2 LYS A 31 -3.076 -6.282 29.572 1.00 74.10 H new ATOM 0 HB3 LYS A 31 -2.324 -7.865 29.603 1.00 74.10 H new ATOM 0 HG2 LYS A 31 -1.931 -5.709 27.499 1.00 34.15 H new ATOM 0 HG3 LYS A 31 -0.764 -6.234 28.696 1.00 34.15 H new ATOM 0 HD2 LYS A 31 -1.274 -8.629 27.533 1.00 5.34 H new ATOM 0 HD3 LYS A 31 -1.644 -7.586 26.174 1.00 5.34 H new ATOM 0 HE2 LYS A 31 0.798 -6.662 27.420 1.00 55.10 H new ATOM 0 HE3 LYS A 31 0.928 -8.387 27.138 1.00 55.10 H new ATOM 0 HZ1 LYS A 31 1.633 -6.863 25.267 1.00 31.21 H new ATOM 0 HZ2 LYS A 31 0.565 -8.116 24.849 1.00 31.21 H new ATOM 0 HZ3 LYS A 31 -0.015 -6.529 25.024 1.00 31.21 H new ATOM 507 N PHE A 32 -5.667 -8.003 29.763 1.00 21.31 N ATOM 508 CA PHE A 32 -6.528 -8.771 30.655 1.00 72.22 C ATOM 509 C PHE A 32 -7.215 -9.907 29.902 1.00 32.14 C ATOM 510 O PHE A 32 -7.313 -11.028 30.403 1.00 41.14 O ATOM 511 CB PHE A 32 -7.578 -7.860 31.294 1.00 2.14 C ATOM 512 CG PHE A 32 -8.729 -8.607 31.905 1.00 62.44 C ATOM 513 CD1 PHE A 32 -8.572 -9.292 33.099 1.00 31.00 C ATOM 514 CD2 PHE A 32 -9.968 -8.625 31.284 1.00 25.02 C ATOM 515 CE1 PHE A 32 -9.629 -9.981 33.662 1.00 34.21 C ATOM 516 CE2 PHE A 32 -11.029 -9.312 31.843 1.00 62.22 C ATOM 517 CZ PHE A 32 -10.860 -9.990 33.034 1.00 64.30 C ATOM 0 H PHE A 32 -5.858 -7.001 29.752 1.00 21.31 H new ATOM 0 HA PHE A 32 -5.905 -9.202 31.439 1.00 72.22 H new ATOM 0 HB2 PHE A 32 -7.101 -7.253 32.063 1.00 2.14 H new ATOM 0 HB3 PHE A 32 -7.961 -7.174 30.538 1.00 2.14 H new ATOM 0 HD1 PHE A 32 -7.613 -9.287 33.595 1.00 31.00 H new ATOM 0 HD2 PHE A 32 -10.106 -8.096 30.353 1.00 25.02 H new ATOM 0 HE1 PHE A 32 -9.493 -10.512 34.592 1.00 34.21 H new ATOM 0 HE2 PHE A 32 -11.989 -9.319 31.349 1.00 62.22 H new ATOM 0 HZ PHE A 32 -11.688 -10.526 33.474 1.00 64.30 H new ATOM 527 N TYR A 33 -7.690 -9.609 28.698 1.00 2.22 N ATOM 528 CA TYR A 33 -8.371 -10.603 27.877 1.00 4.01 C ATOM 529 C TYR A 33 -7.391 -11.294 26.934 1.00 43.34 C ATOM 530 O TYR A 33 -7.289 -12.521 26.914 1.00 31.13 O ATOM 531 CB TYR A 33 -9.495 -9.948 27.073 1.00 45.33 C ATOM 532 CG TYR A 33 -10.415 -10.940 26.399 1.00 63.15 C ATOM 533 CD1 TYR A 33 -10.032 -11.591 25.232 1.00 20.45 C ATOM 534 CD2 TYR A 33 -11.667 -11.227 26.928 1.00 23.24 C ATOM 535 CE1 TYR A 33 -10.870 -12.498 24.613 1.00 61.11 C ATOM 536 CE2 TYR A 33 -12.511 -12.134 26.316 1.00 4.34 C ATOM 537 CZ TYR A 33 -12.108 -12.766 25.159 1.00 61.13 C ATOM 538 OH TYR A 33 -12.945 -13.670 24.545 1.00 1.12 O ATOM 0 H TYR A 33 -7.616 -8.687 28.269 1.00 2.22 H new ATOM 0 HA TYR A 33 -8.799 -11.354 28.541 1.00 4.01 H new ATOM 0 HB2 TYR A 33 -10.082 -9.313 27.736 1.00 45.33 H new ATOM 0 HB3 TYR A 33 -9.057 -9.298 26.315 1.00 45.33 H new ATOM 0 HD1 TYR A 33 -9.063 -11.384 24.802 1.00 20.45 H new ATOM 0 HD2 TYR A 33 -11.986 -10.733 27.834 1.00 23.24 H new ATOM 0 HE1 TYR A 33 -10.558 -12.995 23.706 1.00 61.11 H new ATOM 0 HE2 TYR A 33 -13.481 -12.346 26.742 1.00 4.34 H new ATOM 0 HH TYR A 33 -13.777 -13.745 25.057 1.00 1.12 H new ATOM 548 N LEU A 34 -6.670 -10.496 26.152 1.00 35.52 N ATOM 549 CA LEU A 34 -5.697 -11.029 25.205 1.00 22.15 C ATOM 550 C LEU A 34 -4.662 -11.894 25.918 1.00 44.14 C ATOM 551 O LEU A 34 -4.511 -13.077 25.613 1.00 73.22 O ATOM 552 CB LEU A 34 -5.000 -9.887 24.463 1.00 34.21 C ATOM 553 CG LEU A 34 -5.726 -9.347 23.230 1.00 21.31 C ATOM 554 CD1 LEU A 34 -5.732 -10.384 22.118 1.00 60.23 C ATOM 555 CD2 LEU A 34 -7.147 -8.935 23.585 1.00 20.13 C ATOM 0 H LEU A 34 -6.741 -9.479 26.156 1.00 35.52 H new ATOM 0 HA LEU A 34 -6.229 -11.650 24.485 1.00 22.15 H new ATOM 0 HB2 LEU A 34 -4.851 -9.064 25.162 1.00 34.21 H new ATOM 0 HB3 LEU A 34 -4.011 -10.229 24.157 1.00 34.21 H new ATOM 0 HG LEU A 34 -5.192 -8.466 22.875 1.00 21.31 H new ATOM 0 HD11 LEU A 34 -6.253 -9.982 21.249 1.00 60.23 H new ATOM 0 HD12 LEU A 34 -4.706 -10.630 21.845 1.00 60.23 H new ATOM 0 HD13 LEU A 34 -6.242 -11.284 22.462 1.00 60.23 H new ATOM 0 HD21 LEU A 34 -7.648 -8.553 22.695 1.00 20.13 H new ATOM 0 HD22 LEU A 34 -7.692 -9.799 23.966 1.00 20.13 H new ATOM 0 HD23 LEU A 34 -7.120 -8.157 24.348 1.00 20.13 H new ATOM 567 N ARG A 35 -3.952 -11.296 26.869 1.00 42.34 N ATOM 568 CA ARG A 35 -2.931 -12.011 27.625 1.00 35.50 C ATOM 569 C ARG A 35 -3.528 -13.230 28.324 1.00 3.44 C ATOM 570 O ARG A 35 -2.900 -14.287 28.394 1.00 14.43 O ATOM 571 CB ARG A 35 -2.286 -11.084 28.656 1.00 45.33 C ATOM 572 CG ARG A 35 -0.767 -11.155 28.672 1.00 14.04 C ATOM 573 CD ARG A 35 -0.227 -11.191 30.093 1.00 0.33 C ATOM 574 NE ARG A 35 -0.693 -10.055 30.885 1.00 60.22 N ATOM 575 CZ ARG A 35 -0.284 -8.807 30.691 1.00 44.54 C ATOM 576 NH1 ARG A 35 0.595 -8.534 29.736 1.00 62.41 N ATOM 577 NH2 ARG A 35 -0.754 -7.827 31.452 1.00 2.11 N ATOM 0 H ARG A 35 -4.065 -10.318 27.134 1.00 42.34 H new ATOM 0 HA ARG A 35 -2.167 -12.351 26.925 1.00 35.50 H new ATOM 0 HB2 ARG A 35 -2.591 -10.058 28.451 1.00 45.33 H new ATOM 0 HB3 ARG A 35 -2.664 -11.337 29.647 1.00 45.33 H new ATOM 0 HG2 ARG A 35 -0.437 -12.044 28.134 1.00 14.04 H new ATOM 0 HG3 ARG A 35 -0.356 -10.293 28.147 1.00 14.04 H new ATOM 0 HD2 ARG A 35 -0.535 -12.119 30.574 1.00 0.33 H new ATOM 0 HD3 ARG A 35 0.863 -11.192 30.067 1.00 0.33 H new ATOM 0 HE ARG A 35 -1.370 -10.230 31.628 1.00 60.22 H new ATOM 0 HH11 ARG A 35 0.959 -9.284 29.148 1.00 62.41 H new ATOM 0 HH12 ARG A 35 0.907 -7.574 29.589 1.00 62.41 H new ATOM 0 HH21 ARG A 35 -1.431 -8.032 32.187 1.00 2.11 H new ATOM 0 HH22 ARG A 35 -0.439 -6.869 31.302 1.00 2.11 H new ATOM 591 N ASP A 36 -4.742 -13.073 28.841 1.00 64.42 N ATOM 592 CA ASP A 36 -5.423 -14.160 29.534 1.00 31.24 C ATOM 593 C ASP A 36 -5.419 -15.431 28.690 1.00 11.31 C ATOM 594 O ASP A 36 -5.041 -16.502 29.164 1.00 14.55 O ATOM 595 CB ASP A 36 -6.861 -13.759 29.867 1.00 1.25 C ATOM 596 CG ASP A 36 -7.783 -14.956 29.990 1.00 24.21 C ATOM 597 OD1 ASP A 36 -7.497 -15.842 30.823 1.00 44.33 O ATOM 598 OD2 ASP A 36 -8.790 -15.008 29.253 1.00 64.30 O ATOM 0 H ASP A 36 -5.274 -12.204 28.793 1.00 64.42 H new ATOM 0 HA ASP A 36 -4.885 -14.360 30.461 1.00 31.24 H new ATOM 0 HB2 ASP A 36 -6.871 -13.199 30.802 1.00 1.25 H new ATOM 0 HB3 ASP A 36 -7.238 -13.092 29.091 1.00 1.25 H new ATOM 603 N MET A 37 -5.843 -15.304 27.437 1.00 40.41 N ATOM 604 CA MET A 37 -5.888 -16.442 26.527 1.00 60.14 C ATOM 605 C MET A 37 -4.564 -16.598 25.785 1.00 52.42 C ATOM 606 O MET A 37 -3.845 -17.579 25.975 1.00 31.12 O ATOM 607 CB MET A 37 -7.031 -16.276 25.524 1.00 54.31 C ATOM 608 CG MET A 37 -8.217 -17.187 25.797 1.00 24.40 C ATOM 609 SD MET A 37 -9.533 -17.000 24.579 1.00 44.33 S ATOM 610 CE MET A 37 -10.284 -18.624 24.639 1.00 61.51 C ATOM 0 H MET A 37 -6.160 -14.425 27.029 1.00 40.41 H new ATOM 0 HA MET A 37 -6.061 -17.341 27.119 1.00 60.14 H new ATOM 0 HB2 MET A 37 -7.369 -15.240 25.539 1.00 54.31 H new ATOM 0 HB3 MET A 37 -6.654 -16.474 24.521 1.00 54.31 H new ATOM 0 HG2 MET A 37 -7.880 -18.223 25.805 1.00 24.40 H new ATOM 0 HG3 MET A 37 -8.613 -16.973 26.790 1.00 24.40 H new ATOM 0 HE1 MET A 37 -11.117 -18.666 23.938 1.00 61.51 H new ATOM 0 HE2 MET A 37 -9.544 -19.377 24.369 1.00 61.51 H new ATOM 0 HE3 MET A 37 -10.649 -18.819 25.647 1.00 61.51 H new ATOM 620 N THR A 38 -4.247 -15.623 24.938 1.00 74.24 N ATOM 621 CA THR A 38 -3.011 -15.653 24.166 1.00 12.13 C ATOM 622 C THR A 38 -1.831 -16.072 25.035 1.00 20.51 C ATOM 623 O THR A 38 -1.002 -16.885 24.624 1.00 44.14 O ATOM 624 CB THR A 38 -2.708 -14.280 23.537 1.00 14.12 C ATOM 625 OG1 THR A 38 -2.381 -13.333 24.561 1.00 74.42 O ATOM 626 CG2 THR A 38 -3.900 -13.777 22.736 1.00 0.04 C ATOM 0 H THR A 38 -4.830 -14.803 24.770 1.00 74.24 H new ATOM 0 HA THR A 38 -3.152 -16.385 23.371 1.00 12.13 H new ATOM 0 HB THR A 38 -1.859 -14.393 22.863 1.00 14.12 H new ATOM 0 HG1 THR A 38 -2.944 -13.494 25.347 1.00 74.42 H new ATOM 0 HG21 THR A 38 -3.663 -12.806 22.301 1.00 0.04 H new ATOM 0 HG22 THR A 38 -4.128 -14.485 21.939 1.00 0.04 H new ATOM 0 HG23 THR A 38 -4.764 -13.679 23.393 1.00 0.04 H new ATOM 634 N LEU A 39 -1.761 -15.515 26.239 1.00 41.12 N ATOM 635 CA LEU A 39 -0.681 -15.832 27.167 1.00 33.23 C ATOM 636 C LEU A 39 -1.202 -16.638 28.353 1.00 71.10 C ATOM 637 O LEU A 39 -2.410 -16.806 28.519 1.00 31.34 O ATOM 638 CB LEU A 39 -0.014 -14.548 27.663 1.00 52.14 C ATOM 639 CG LEU A 39 1.038 -13.938 26.736 1.00 3.21 C ATOM 640 CD1 LEU A 39 0.425 -12.839 25.882 1.00 70.32 C ATOM 641 CD2 LEU A 39 2.210 -13.397 27.543 1.00 71.32 C ATOM 0 H LEU A 39 -2.439 -14.842 26.596 1.00 41.12 H new ATOM 0 HA LEU A 39 0.056 -16.435 26.636 1.00 33.23 H new ATOM 0 HB2 LEU A 39 -0.790 -13.803 27.839 1.00 52.14 H new ATOM 0 HB3 LEU A 39 0.454 -14.754 28.626 1.00 52.14 H new ATOM 0 HG LEU A 39 1.408 -14.721 26.074 1.00 3.21 H new ATOM 0 HD11 LEU A 39 1.189 -12.417 25.229 1.00 70.32 H new ATOM 0 HD12 LEU A 39 -0.380 -13.255 25.277 1.00 70.32 H new ATOM 0 HD13 LEU A 39 0.027 -12.056 26.527 1.00 70.32 H new ATOM 0 HD21 LEU A 39 2.949 -12.967 26.867 1.00 71.32 H new ATOM 0 HD22 LEU A 39 1.855 -12.628 28.230 1.00 71.32 H new ATOM 0 HD23 LEU A 39 2.666 -14.208 28.111 1.00 71.32 H new ATOM 784 N GLY A 49 -0.174 0.849 38.888 1.00 3.35 N ATOM 785 CA GLY A 49 1.202 1.312 38.866 1.00 72.40 C ATOM 786 C GLY A 49 2.085 0.461 37.975 1.00 31.42 C ATOM 787 O GLY A 49 3.276 0.734 37.828 1.00 14.13 O ATOM 0 HA2 GLY A 49 1.229 2.345 38.519 1.00 72.40 H new ATOM 0 HA3 GLY A 49 1.601 1.306 39.880 1.00 72.40 H new ATOM 791 N GLU A 50 1.501 -0.575 37.381 1.00 54.04 N ATOM 792 CA GLU A 50 2.244 -1.470 36.502 1.00 44.22 C ATOM 793 C GLU A 50 2.622 -0.766 35.202 1.00 42.32 C ATOM 794 O GLU A 50 3.678 -1.029 34.624 1.00 54.12 O ATOM 795 CB GLU A 50 1.420 -2.722 36.196 1.00 54.34 C ATOM 796 CG GLU A 50 1.266 -3.655 37.384 1.00 30.35 C ATOM 797 CD GLU A 50 1.869 -5.024 37.134 1.00 44.45 C ATOM 798 OE1 GLU A 50 1.255 -5.814 36.387 1.00 63.15 O ATOM 799 OE2 GLU A 50 2.955 -5.304 37.684 1.00 75.22 O ATOM 0 H GLU A 50 0.516 -0.815 37.493 1.00 54.04 H new ATOM 0 HA GLU A 50 3.159 -1.764 37.016 1.00 44.22 H new ATOM 0 HB2 GLU A 50 0.431 -2.420 35.851 1.00 54.34 H new ATOM 0 HB3 GLU A 50 1.891 -3.265 35.377 1.00 54.34 H new ATOM 0 HG2 GLU A 50 1.741 -3.207 38.257 1.00 30.35 H new ATOM 0 HG3 GLU A 50 0.207 -3.766 37.619 1.00 30.35 H new ATOM 806 N LEU A 51 1.753 0.130 34.747 1.00 10.00 N ATOM 807 CA LEU A 51 1.994 0.873 33.515 1.00 72.22 C ATOM 808 C LEU A 51 2.474 2.289 33.817 1.00 34.33 C ATOM 809 O LEU A 51 3.474 2.746 33.266 1.00 24.43 O ATOM 810 CB LEU A 51 0.720 0.923 32.669 1.00 11.54 C ATOM 811 CG LEU A 51 0.833 1.648 31.328 1.00 41.32 C ATOM 812 CD1 LEU A 51 0.018 0.931 30.263 1.00 13.11 C ATOM 813 CD2 LEU A 51 0.382 3.095 31.463 1.00 15.15 C ATOM 0 H LEU A 51 0.875 0.360 35.213 1.00 10.00 H new ATOM 0 HA LEU A 51 2.774 0.357 32.956 1.00 72.22 H new ATOM 0 HB2 LEU A 51 0.393 -0.099 32.480 1.00 11.54 H new ATOM 0 HB3 LEU A 51 -0.063 1.405 33.255 1.00 11.54 H new ATOM 0 HG LEU A 51 1.879 1.642 31.021 1.00 41.32 H new ATOM 0 HD11 LEU A 51 0.111 1.462 29.315 1.00 13.11 H new ATOM 0 HD12 LEU A 51 0.388 -0.088 30.146 1.00 13.11 H new ATOM 0 HD13 LEU A 51 -1.030 0.904 30.563 1.00 13.11 H new ATOM 0 HD21 LEU A 51 0.470 3.595 30.498 1.00 15.15 H new ATOM 0 HD22 LEU A 51 -0.656 3.123 31.793 1.00 15.15 H new ATOM 0 HD23 LEU A 51 1.009 3.605 32.194 1.00 15.15 H new ATOM 825 N GLU A 52 1.754 2.977 34.698 1.00 34.41 N ATOM 826 CA GLU A 52 2.108 4.340 35.075 1.00 54.14 C ATOM 827 C GLU A 52 3.328 4.352 35.990 1.00 2.23 C ATOM 828 O GLU A 52 4.322 5.021 35.710 1.00 52.14 O ATOM 829 CB GLU A 52 0.928 5.023 35.770 1.00 41.54 C ATOM 830 CG GLU A 52 1.175 6.488 36.089 1.00 4.30 C ATOM 831 CD GLU A 52 1.143 7.368 34.854 1.00 13.15 C ATOM 832 OE1 GLU A 52 0.148 7.297 34.103 1.00 40.45 O ATOM 833 OE2 GLU A 52 2.111 8.127 34.640 1.00 20.30 O ATOM 0 H GLU A 52 0.923 2.613 35.163 1.00 34.41 H new ATOM 0 HA GLU A 52 2.352 4.889 34.166 1.00 54.14 H new ATOM 0 HB2 GLU A 52 0.046 4.942 35.134 1.00 41.54 H new ATOM 0 HB3 GLU A 52 0.704 4.491 36.695 1.00 41.54 H new ATOM 0 HG2 GLU A 52 0.421 6.834 36.797 1.00 4.30 H new ATOM 0 HG3 GLU A 52 2.143 6.591 36.579 1.00 4.30 H new ATOM 840 N GLY A 53 3.245 3.607 37.088 1.00 33.32 N ATOM 841 CA GLY A 53 4.348 3.546 38.029 1.00 32.22 C ATOM 842 C GLY A 53 5.614 2.996 37.403 1.00 2.42 C ATOM 843 O GLY A 53 6.648 3.666 37.386 1.00 61.23 O ATOM 0 H GLY A 53 2.433 3.044 37.343 1.00 33.32 H new ATOM 0 HA2 GLY A 53 4.544 4.544 38.420 1.00 32.22 H new ATOM 0 HA3 GLY A 53 4.065 2.922 38.876 1.00 32.22 H new ATOM 847 N LEU A 54 5.536 1.774 36.889 1.00 11.02 N ATOM 848 CA LEU A 54 6.686 1.133 36.260 1.00 13.32 C ATOM 849 C LEU A 54 6.936 1.708 34.870 1.00 61.14 C ATOM 850 O LEU A 54 6.367 2.735 34.500 1.00 13.32 O ATOM 851 CB LEU A 54 6.465 -0.378 36.168 1.00 5.42 C ATOM 852 CG LEU A 54 5.977 -1.064 37.444 1.00 12.44 C ATOM 853 CD1 LEU A 54 6.015 -2.576 37.286 1.00 50.42 C ATOM 854 CD2 LEU A 54 6.815 -0.629 38.638 1.00 61.31 C ATOM 0 H LEU A 54 4.688 1.207 36.895 1.00 11.02 H new ATOM 0 HA LEU A 54 7.563 1.328 36.877 1.00 13.32 H new ATOM 0 HB2 LEU A 54 5.742 -0.572 35.376 1.00 5.42 H new ATOM 0 HB3 LEU A 54 7.402 -0.844 35.864 1.00 5.42 H new ATOM 0 HG LEU A 54 4.944 -0.764 37.622 1.00 12.44 H new ATOM 0 HD11 LEU A 54 5.664 -3.047 38.204 1.00 50.42 H new ATOM 0 HD12 LEU A 54 5.371 -2.872 36.458 1.00 50.42 H new ATOM 0 HD13 LEU A 54 7.037 -2.895 37.082 1.00 50.42 H new ATOM 0 HD21 LEU A 54 6.453 -1.127 39.537 1.00 61.31 H new ATOM 0 HD22 LEU A 54 7.857 -0.898 38.468 1.00 61.31 H new ATOM 0 HD23 LEU A 54 6.735 0.451 38.764 1.00 61.31 H new ATOM 866 N ILE A 55 7.789 1.037 34.103 1.00 41.22 N ATOM 867 CA ILE A 55 8.112 1.479 32.752 1.00 53.41 C ATOM 868 C ILE A 55 7.797 0.394 31.728 1.00 32.02 C ATOM 869 O ILE A 55 7.695 -0.789 32.053 1.00 72.33 O ATOM 870 CB ILE A 55 9.596 1.872 32.627 1.00 33.03 C ATOM 871 CG1 ILE A 55 10.489 0.756 33.174 1.00 15.22 C ATOM 872 CG2 ILE A 55 9.862 3.178 33.361 1.00 55.01 C ATOM 873 CD1 ILE A 55 11.951 1.136 33.251 1.00 32.44 C ATOM 0 H ILE A 55 8.269 0.185 34.394 1.00 41.22 H new ATOM 0 HA ILE A 55 7.495 2.355 32.551 1.00 53.41 H new ATOM 0 HB ILE A 55 9.831 2.016 31.572 1.00 33.03 H new ATOM 0 HG12 ILE A 55 10.141 0.478 34.169 1.00 15.22 H new ATOM 0 HG13 ILE A 55 10.384 -0.126 32.542 1.00 15.22 H new ATOM 0 HG21 ILE A 55 10.915 3.442 33.263 1.00 55.01 H new ATOM 0 HG22 ILE A 55 9.248 3.969 32.930 1.00 55.01 H new ATOM 0 HG23 ILE A 55 9.614 3.060 34.416 1.00 55.01 H new ATOM 0 HD11 ILE A 55 12.524 0.298 33.647 1.00 32.44 H new ATOM 0 HD12 ILE A 55 12.315 1.386 32.254 1.00 32.44 H new ATOM 0 HD13 ILE A 55 12.069 1.999 33.907 1.00 32.44 H new ATOM 885 N PRO A 56 7.641 0.804 30.461 1.00 75.44 N ATOM 886 CA PRO A 56 7.338 -0.119 29.362 1.00 15.23 C ATOM 887 C PRO A 56 8.515 -1.027 29.027 1.00 62.42 C ATOM 888 O PRO A 56 8.336 -2.208 28.729 1.00 71.44 O ATOM 889 CB PRO A 56 7.032 0.815 28.189 1.00 55.32 C ATOM 890 CG PRO A 56 7.767 2.072 28.504 1.00 53.25 C ATOM 891 CD PRO A 56 7.748 2.199 30.002 1.00 62.32 C ATOM 0 HA PRO A 56 6.520 -0.795 29.611 1.00 15.23 H new ATOM 0 HB2 PRO A 56 7.367 0.387 27.244 1.00 55.32 H new ATOM 0 HB3 PRO A 56 5.961 0.995 28.095 1.00 55.32 H new ATOM 0 HG2 PRO A 56 8.790 2.030 28.129 1.00 53.25 H new ATOM 0 HG3 PRO A 56 7.290 2.932 28.033 1.00 53.25 H new ATOM 0 HD2 PRO A 56 8.653 2.677 30.376 1.00 62.32 H new ATOM 0 HD3 PRO A 56 6.906 2.800 30.344 1.00 62.32 H new ATOM 899 N VAL A 57 9.721 -0.469 29.078 1.00 73.53 N ATOM 900 CA VAL A 57 10.928 -1.230 28.781 1.00 64.33 C ATOM 901 C VAL A 57 11.148 -2.335 29.808 1.00 63.33 C ATOM 902 O VAL A 57 11.872 -3.298 29.553 1.00 22.23 O ATOM 903 CB VAL A 57 12.171 -0.321 28.748 1.00 51.43 C ATOM 904 CG1 VAL A 57 13.402 -1.112 28.332 1.00 34.15 C ATOM 905 CG2 VAL A 57 11.944 0.857 27.812 1.00 13.20 C ATOM 0 H VAL A 57 9.887 0.507 29.322 1.00 73.53 H new ATOM 0 HA VAL A 57 10.786 -1.676 27.796 1.00 64.33 H new ATOM 0 HB VAL A 57 12.341 0.068 29.752 1.00 51.43 H new ATOM 0 HG11 VAL A 57 14.270 -0.452 28.315 1.00 34.15 H new ATOM 0 HG12 VAL A 57 13.574 -1.919 29.044 1.00 34.15 H new ATOM 0 HG13 VAL A 57 13.246 -1.532 27.338 1.00 34.15 H new ATOM 0 HG21 VAL A 57 12.832 1.489 27.801 1.00 13.20 H new ATOM 0 HG22 VAL A 57 11.748 0.489 26.805 1.00 13.20 H new ATOM 0 HG23 VAL A 57 11.090 1.438 28.159 1.00 13.20 H new ATOM 915 N ASP A 58 10.519 -2.190 30.968 1.00 32.34 N ATOM 916 CA ASP A 58 10.644 -3.177 32.035 1.00 71.23 C ATOM 917 C ASP A 58 9.533 -4.219 31.944 1.00 64.12 C ATOM 918 O ASP A 58 9.798 -5.414 31.806 1.00 23.23 O ATOM 919 CB ASP A 58 10.606 -2.491 33.401 1.00 51.10 C ATOM 920 CG ASP A 58 10.963 -3.434 34.533 1.00 73.21 C ATOM 921 OD1 ASP A 58 11.127 -4.643 34.268 1.00 75.34 O ATOM 922 OD2 ASP A 58 11.077 -2.964 35.684 1.00 3.42 O ATOM 0 H ASP A 58 9.917 -1.398 31.194 1.00 32.34 H new ATOM 0 HA ASP A 58 11.603 -3.683 31.918 1.00 71.23 H new ATOM 0 HB2 ASP A 58 11.299 -1.649 33.401 1.00 51.10 H new ATOM 0 HB3 ASP A 58 9.610 -2.084 33.572 1.00 51.10 H new ATOM 927 N LEU A 59 8.290 -3.759 32.023 1.00 53.14 N ATOM 928 CA LEU A 59 7.138 -4.651 31.950 1.00 32.14 C ATOM 929 C LEU A 59 7.135 -5.432 30.640 1.00 23.22 C ATOM 930 O LEU A 59 6.739 -6.596 30.601 1.00 71.50 O ATOM 931 CB LEU A 59 5.840 -3.852 32.084 1.00 61.34 C ATOM 932 CG LEU A 59 4.894 -3.904 30.883 1.00 0.34 C ATOM 933 CD1 LEU A 59 3.482 -3.521 31.300 1.00 62.43 C ATOM 934 CD2 LEU A 59 5.391 -2.989 29.773 1.00 32.22 C ATOM 0 H LEU A 59 8.053 -2.773 32.138 1.00 53.14 H new ATOM 0 HA LEU A 59 7.207 -5.361 32.774 1.00 32.14 H new ATOM 0 HB2 LEU A 59 5.303 -4.214 32.961 1.00 61.34 H new ATOM 0 HB3 LEU A 59 6.096 -2.810 32.275 1.00 61.34 H new ATOM 0 HG LEU A 59 4.875 -4.925 30.503 1.00 0.34 H new ATOM 0 HD11 LEU A 59 2.823 -3.563 30.433 1.00 62.43 H new ATOM 0 HD12 LEU A 59 3.126 -4.216 32.061 1.00 62.43 H new ATOM 0 HD13 LEU A 59 3.484 -2.509 31.705 1.00 62.43 H new ATOM 0 HD21 LEU A 59 4.706 -3.039 28.927 1.00 32.22 H new ATOM 0 HD22 LEU A 59 5.440 -1.964 30.141 1.00 32.22 H new ATOM 0 HD23 LEU A 59 6.384 -3.308 29.456 1.00 32.22 H new ATOM 946 N ALA A 60 7.583 -4.784 29.570 1.00 54.32 N ATOM 947 CA ALA A 60 7.636 -5.419 28.259 1.00 50.31 C ATOM 948 C ALA A 60 8.642 -6.564 28.244 1.00 21.45 C ATOM 949 O ALA A 60 8.375 -7.629 27.688 1.00 24.12 O ATOM 950 CB ALA A 60 7.985 -4.394 27.190 1.00 51.22 C ATOM 0 H ALA A 60 7.915 -3.820 29.585 1.00 54.32 H new ATOM 0 HA ALA A 60 6.651 -5.833 28.043 1.00 50.31 H new ATOM 0 HB1 ALA A 60 8.021 -4.882 26.216 1.00 51.22 H new ATOM 0 HB2 ALA A 60 7.227 -3.611 27.176 1.00 51.22 H new ATOM 0 HB3 ALA A 60 8.957 -3.954 27.412 1.00 51.22 H new ATOM 956 N GLU A 61 9.799 -6.338 28.859 1.00 40.10 N ATOM 957 CA GLU A 61 10.845 -7.352 28.914 1.00 22.15 C ATOM 958 C GLU A 61 10.322 -8.640 29.545 1.00 51.42 C ATOM 959 O GLU A 61 10.738 -9.739 29.176 1.00 2.30 O ATOM 960 CB GLU A 61 12.047 -6.834 29.708 1.00 34.50 C ATOM 961 CG GLU A 61 13.117 -6.191 28.842 1.00 32.50 C ATOM 962 CD GLU A 61 14.131 -7.194 28.327 1.00 21.32 C ATOM 963 OE1 GLU A 61 15.025 -7.587 29.105 1.00 23.11 O ATOM 964 OE2 GLU A 61 14.030 -7.586 27.146 1.00 72.33 O ATOM 0 H GLU A 61 10.035 -5.462 29.326 1.00 40.10 H new ATOM 0 HA GLU A 61 11.159 -7.569 27.893 1.00 22.15 H new ATOM 0 HB2 GLU A 61 11.701 -6.107 30.442 1.00 34.50 H new ATOM 0 HB3 GLU A 61 12.489 -7.662 30.263 1.00 34.50 H new ATOM 0 HG2 GLU A 61 12.643 -5.692 27.997 1.00 32.50 H new ATOM 0 HG3 GLU A 61 13.632 -5.422 29.418 1.00 32.50 H new ATOM 971 N LEU A 62 9.408 -8.496 30.498 1.00 55.55 N ATOM 972 CA LEU A 62 8.827 -9.646 31.181 1.00 74.23 C ATOM 973 C LEU A 62 7.819 -10.359 30.285 1.00 33.42 C ATOM 974 O LEU A 62 7.792 -11.589 30.218 1.00 24.15 O ATOM 975 CB LEU A 62 8.149 -9.205 32.479 1.00 4.33 C ATOM 976 CG LEU A 62 7.561 -10.321 33.342 1.00 34.14 C ATOM 977 CD1 LEU A 62 6.192 -10.733 32.822 1.00 65.34 C ATOM 978 CD2 LEU A 62 8.501 -11.517 33.382 1.00 52.01 C ATOM 0 H LEU A 62 9.053 -7.594 30.815 1.00 55.55 H new ATOM 0 HA LEU A 62 9.632 -10.342 31.417 1.00 74.23 H new ATOM 0 HB2 LEU A 62 8.876 -8.656 33.077 1.00 4.33 H new ATOM 0 HB3 LEU A 62 7.350 -8.507 32.229 1.00 4.33 H new ATOM 0 HG LEU A 62 7.443 -9.944 34.358 1.00 34.14 H new ATOM 0 HD11 LEU A 62 5.789 -11.528 33.449 1.00 65.34 H new ATOM 0 HD12 LEU A 62 5.520 -9.875 32.847 1.00 65.34 H new ATOM 0 HD13 LEU A 62 6.285 -11.091 31.797 1.00 65.34 H new ATOM 0 HD21 LEU A 62 8.066 -12.301 34.001 1.00 52.01 H new ATOM 0 HD22 LEU A 62 8.652 -11.895 32.371 1.00 52.01 H new ATOM 0 HD23 LEU A 62 9.459 -11.213 33.803 1.00 52.01 H new ATOM 990 N LEU A 63 6.992 -9.580 29.597 1.00 71.44 N ATOM 991 CA LEU A 63 5.983 -10.137 28.702 1.00 31.22 C ATOM 992 C LEU A 63 6.635 -10.852 27.523 1.00 22.23 C ATOM 993 O LEU A 63 6.315 -12.004 27.229 1.00 20.34 O ATOM 994 CB LEU A 63 5.057 -9.031 28.193 1.00 4.55 C ATOM 995 CG LEU A 63 3.726 -9.490 27.598 1.00 41.11 C ATOM 996 CD1 LEU A 63 3.941 -10.109 26.226 1.00 74.34 C ATOM 997 CD2 LEU A 63 3.038 -10.477 28.529 1.00 33.20 C ATOM 0 H LEU A 63 7.000 -8.561 29.641 1.00 71.44 H new ATOM 0 HA LEU A 63 5.396 -10.863 29.264 1.00 31.22 H new ATOM 0 HB2 LEU A 63 4.847 -8.352 29.019 1.00 4.55 H new ATOM 0 HB3 LEU A 63 5.592 -8.457 27.436 1.00 4.55 H new ATOM 0 HG LEU A 63 3.081 -8.619 27.484 1.00 41.11 H new ATOM 0 HD11 LEU A 63 2.983 -10.430 25.818 1.00 74.34 H new ATOM 0 HD12 LEU A 63 4.390 -9.372 25.561 1.00 74.34 H new ATOM 0 HD13 LEU A 63 4.604 -10.969 26.315 1.00 74.34 H new ATOM 0 HD21 LEU A 63 2.092 -10.793 28.089 1.00 33.20 H new ATOM 0 HD22 LEU A 63 3.679 -11.347 28.675 1.00 33.20 H new ATOM 0 HD23 LEU A 63 2.850 -9.999 29.491 1.00 33.20 H new ATOM 1009 N ILE A 64 7.552 -10.162 26.853 1.00 21.34 N ATOM 1010 CA ILE A 64 8.252 -10.733 25.709 1.00 14.10 C ATOM 1011 C ILE A 64 8.977 -12.018 26.093 1.00 74.41 C ATOM 1012 O ILE A 64 9.052 -12.960 25.304 1.00 71.12 O ATOM 1013 CB ILE A 64 9.270 -9.739 25.119 1.00 73.32 C ATOM 1014 CG1 ILE A 64 10.252 -9.281 26.198 1.00 2.43 C ATOM 1015 CG2 ILE A 64 8.551 -8.546 24.507 1.00 5.20 C ATOM 1016 CD1 ILE A 64 11.627 -9.898 26.066 1.00 52.11 C ATOM 0 H ILE A 64 7.827 -9.207 27.083 1.00 21.34 H new ATOM 0 HA ILE A 64 7.496 -10.957 24.956 1.00 14.10 H new ATOM 0 HB ILE A 64 9.833 -10.241 24.332 1.00 73.32 H new ATOM 0 HG12 ILE A 64 10.344 -8.196 26.157 1.00 2.43 H new ATOM 0 HG13 ILE A 64 9.844 -9.529 27.178 1.00 2.43 H new ATOM 0 HG21 ILE A 64 9.283 -7.852 24.094 1.00 5.20 H new ATOM 0 HG22 ILE A 64 7.888 -8.889 23.713 1.00 5.20 H new ATOM 0 HG23 ILE A 64 7.966 -8.041 25.275 1.00 5.20 H new ATOM 0 HD11 ILE A 64 12.270 -9.528 26.864 1.00 52.11 H new ATOM 0 HD12 ILE A 64 11.547 -10.983 26.138 1.00 52.11 H new ATOM 0 HD13 ILE A 64 12.056 -9.629 25.101 1.00 52.11 H new ATOM 1028 N SER A 65 9.507 -12.051 27.311 1.00 4.31 N ATOM 1029 CA SER A 65 10.228 -13.220 27.800 1.00 64.21 C ATOM 1030 C SER A 65 9.258 -14.309 28.247 1.00 12.14 C ATOM 1031 O SER A 65 9.575 -15.498 28.202 1.00 5.41 O ATOM 1032 CB SER A 65 11.147 -12.831 28.960 1.00 35.33 C ATOM 1033 OG SER A 65 12.443 -12.499 28.495 1.00 23.03 O ATOM 0 H SER A 65 9.451 -11.281 27.978 1.00 4.31 H new ATOM 0 HA SER A 65 10.833 -13.611 26.982 1.00 64.21 H new ATOM 0 HB2 SER A 65 10.721 -11.983 29.496 1.00 35.33 H new ATOM 0 HB3 SER A 65 11.212 -13.656 29.669 1.00 35.33 H new ATOM 0 HG SER A 65 13.010 -12.253 29.255 1.00 23.03 H new ATOM 1039 N LYS A 66 8.072 -13.894 28.680 1.00 71.11 N ATOM 1040 CA LYS A 66 7.052 -14.832 29.135 1.00 2.31 C ATOM 1041 C LYS A 66 6.808 -15.918 28.093 1.00 72.13 C ATOM 1042 O LYS A 66 7.078 -17.095 28.334 1.00 75.02 O ATOM 1043 CB LYS A 66 5.746 -14.092 29.432 1.00 10.30 C ATOM 1044 CG LYS A 66 4.530 -15.000 29.481 1.00 72.42 C ATOM 1045 CD LYS A 66 4.694 -16.096 30.521 1.00 54.10 C ATOM 1046 CE LYS A 66 4.374 -17.466 29.943 1.00 43.14 C ATOM 1047 NZ LYS A 66 2.956 -17.564 29.500 1.00 70.24 N ATOM 0 H LYS A 66 7.793 -12.914 28.725 1.00 71.11 H new ATOM 0 HA LYS A 66 7.411 -15.305 30.049 1.00 2.31 H new ATOM 0 HB2 LYS A 66 5.841 -13.574 30.386 1.00 10.30 H new ATOM 0 HB3 LYS A 66 5.589 -13.329 28.669 1.00 10.30 H new ATOM 0 HG2 LYS A 66 3.643 -14.410 29.710 1.00 72.42 H new ATOM 0 HG3 LYS A 66 4.370 -15.449 28.501 1.00 72.42 H new ATOM 0 HD2 LYS A 66 5.716 -16.090 30.900 1.00 54.10 H new ATOM 0 HD3 LYS A 66 4.039 -15.896 31.369 1.00 54.10 H new ATOM 0 HE2 LYS A 66 5.033 -17.667 29.098 1.00 43.14 H new ATOM 0 HE3 LYS A 66 4.574 -18.232 30.692 1.00 43.14 H new ATOM 0 HZ1 LYS A 66 2.507 -18.387 29.951 1.00 70.24 H new ATOM 0 HZ2 LYS A 66 2.447 -16.699 29.773 1.00 70.24 H new ATOM 0 HZ3 LYS A 66 2.922 -17.675 28.466 1.00 70.24 H new ATOM 1061 N TYR A 67 6.297 -15.516 26.934 1.00 4.23 N ATOM 1062 CA TYR A 67 6.016 -16.456 25.856 1.00 40.45 C ATOM 1063 C TYR A 67 6.914 -16.188 24.652 1.00 64.12 C ATOM 1064 O TYR A 67 7.402 -17.116 24.008 1.00 32.30 O ATOM 1065 CB TYR A 67 4.547 -16.363 25.440 1.00 12.41 C ATOM 1066 CG TYR A 67 3.893 -17.708 25.221 1.00 22.30 C ATOM 1067 CD1 TYR A 67 4.461 -18.648 24.370 1.00 20.42 C ATOM 1068 CD2 TYR A 67 2.708 -18.040 25.866 1.00 52.11 C ATOM 1069 CE1 TYR A 67 3.867 -19.879 24.167 1.00 53.34 C ATOM 1070 CE2 TYR A 67 2.107 -19.268 25.669 1.00 22.44 C ATOM 1071 CZ TYR A 67 2.690 -20.184 24.819 1.00 62.15 C ATOM 1072 OH TYR A 67 2.096 -21.409 24.619 1.00 32.14 O ATOM 0 H TYR A 67 6.069 -14.546 26.718 1.00 4.23 H new ATOM 0 HA TYR A 67 6.220 -17.462 26.223 1.00 40.45 H new ATOM 0 HB2 TYR A 67 3.995 -15.821 26.207 1.00 12.41 H new ATOM 0 HB3 TYR A 67 4.474 -15.779 24.522 1.00 12.41 H new ATOM 0 HD1 TYR A 67 5.383 -18.413 23.858 1.00 20.42 H new ATOM 0 HD2 TYR A 67 2.249 -17.325 26.533 1.00 52.11 H new ATOM 0 HE1 TYR A 67 4.321 -20.598 23.502 1.00 53.34 H new ATOM 0 HE2 TYR A 67 1.186 -19.509 26.178 1.00 22.44 H new ATOM 0 HH TYR A 67 1.276 -21.466 25.152 1.00 32.14 H new ATOM 1082 N GLY A 68 7.129 -14.910 24.354 1.00 24.13 N ATOM 1083 CA GLY A 68 7.969 -14.541 23.229 1.00 31.44 C ATOM 1084 C GLY A 68 7.807 -13.086 22.838 1.00 63.02 C ATOM 1085 O GLY A 68 6.722 -12.521 22.962 1.00 14.44 O ATOM 0 H GLY A 68 6.736 -14.124 24.872 1.00 24.13 H new ATOM 0 HA2 GLY A 68 9.012 -14.733 23.480 1.00 31.44 H new ATOM 0 HA3 GLY A 68 7.725 -15.173 22.375 1.00 31.44 H new ATOM 1089 N GLU A 69 8.891 -12.478 22.365 1.00 72.12 N ATOM 1090 CA GLU A 69 8.864 -11.079 21.957 1.00 52.55 C ATOM 1091 C GLU A 69 7.980 -10.887 20.727 1.00 32.34 C ATOM 1092 O GLU A 69 7.453 -9.800 20.490 1.00 62.01 O ATOM 1093 CB GLU A 69 10.281 -10.583 21.661 1.00 11.11 C ATOM 1094 CG GLU A 69 11.023 -11.432 20.643 1.00 72.12 C ATOM 1095 CD GLU A 69 12.340 -11.963 21.175 1.00 51.04 C ATOM 1096 OE1 GLU A 69 13.068 -11.190 21.832 1.00 21.22 O ATOM 1097 OE2 GLU A 69 12.643 -13.150 20.933 1.00 34.13 O ATOM 0 H GLU A 69 9.798 -12.932 22.255 1.00 72.12 H new ATOM 0 HA GLU A 69 8.446 -10.497 22.778 1.00 52.55 H new ATOM 0 HB2 GLU A 69 10.229 -9.557 21.297 1.00 11.11 H new ATOM 0 HB3 GLU A 69 10.851 -10.563 22.590 1.00 11.11 H new ATOM 0 HG2 GLU A 69 10.392 -12.269 20.345 1.00 72.12 H new ATOM 0 HG3 GLU A 69 11.210 -10.839 19.748 1.00 72.12 H new ATOM 1104 N LYS A 70 7.822 -11.952 19.948 1.00 13.13 N ATOM 1105 CA LYS A 70 7.002 -11.904 18.744 1.00 73.14 C ATOM 1106 C LYS A 70 5.536 -11.666 19.092 1.00 30.12 C ATOM 1107 O LYS A 70 5.045 -10.540 19.013 1.00 62.51 O ATOM 1108 CB LYS A 70 7.144 -13.207 17.953 1.00 11.30 C ATOM 1109 CG LYS A 70 8.102 -13.104 16.779 1.00 72.02 C ATOM 1110 CD LYS A 70 9.480 -12.643 17.222 1.00 21.12 C ATOM 1111 CE LYS A 70 9.796 -11.249 16.701 1.00 21.43 C ATOM 1112 NZ LYS A 70 10.342 -11.286 15.316 1.00 3.54 N ATOM 0 H LYS A 70 8.252 -12.859 20.130 1.00 13.13 H new ATOM 0 HA LYS A 70 7.351 -11.073 18.131 1.00 73.14 H new ATOM 0 HB2 LYS A 70 7.488 -13.994 18.624 1.00 11.30 H new ATOM 0 HB3 LYS A 70 6.163 -13.508 17.585 1.00 11.30 H new ATOM 0 HG2 LYS A 70 8.182 -14.074 16.288 1.00 72.02 H new ATOM 0 HG3 LYS A 70 7.703 -12.406 16.043 1.00 72.02 H new ATOM 0 HD2 LYS A 70 9.533 -12.646 18.311 1.00 21.12 H new ATOM 0 HD3 LYS A 70 10.232 -13.346 16.864 1.00 21.12 H new ATOM 0 HE2 LYS A 70 8.892 -10.641 16.719 1.00 21.43 H new ATOM 0 HE3 LYS A 70 10.516 -10.768 17.363 1.00 21.43 H new ATOM 0 HZ1 LYS A 70 10.545 -10.317 14.997 1.00 3.54 H new ATOM 0 HZ2 LYS A 70 11.219 -11.845 15.303 1.00 3.54 H new ATOM 0 HZ3 LYS A 70 9.644 -11.721 14.679 1.00 3.54 H new ATOM 1126 N GLU A 71 4.844 -12.733 19.479 1.00 14.25 N ATOM 1127 CA GLU A 71 3.434 -12.638 19.841 1.00 40.13 C ATOM 1128 C GLU A 71 3.205 -11.516 20.849 1.00 2.41 C ATOM 1129 O GLU A 71 2.127 -10.925 20.902 1.00 41.31 O ATOM 1130 CB GLU A 71 2.942 -13.966 20.419 1.00 24.33 C ATOM 1131 CG GLU A 71 3.743 -14.440 21.621 1.00 74.32 C ATOM 1132 CD GLU A 71 3.022 -15.512 22.416 1.00 50.31 C ATOM 1133 OE1 GLU A 71 2.058 -15.170 23.133 1.00 4.03 O ATOM 1134 OE2 GLU A 71 3.421 -16.691 22.321 1.00 2.02 O ATOM 0 H GLU A 71 5.236 -13.672 19.550 1.00 14.25 H new ATOM 0 HA GLU A 71 2.868 -12.412 18.937 1.00 40.13 H new ATOM 0 HB2 GLU A 71 1.896 -13.862 20.708 1.00 24.33 H new ATOM 0 HB3 GLU A 71 2.983 -14.729 19.641 1.00 24.33 H new ATOM 0 HG2 GLU A 71 4.704 -14.828 21.283 1.00 74.32 H new ATOM 0 HG3 GLU A 71 3.953 -13.591 22.271 1.00 74.32 H new ATOM 1141 N ALA A 72 4.228 -11.228 21.648 1.00 73.41 N ATOM 1142 CA ALA A 72 4.139 -10.177 22.654 1.00 45.14 C ATOM 1143 C ALA A 72 3.592 -8.887 22.053 1.00 52.15 C ATOM 1144 O ALA A 72 2.517 -8.422 22.431 1.00 55.55 O ATOM 1145 CB ALA A 72 5.503 -9.931 23.281 1.00 25.45 C ATOM 0 H ALA A 72 5.128 -11.708 21.618 1.00 73.41 H new ATOM 0 HA ALA A 72 3.448 -10.508 23.429 1.00 45.14 H new ATOM 0 HB1 ALA A 72 5.422 -9.144 24.031 1.00 25.45 H new ATOM 0 HB2 ALA A 72 5.857 -10.847 23.754 1.00 25.45 H new ATOM 0 HB3 ALA A 72 6.209 -9.625 22.509 1.00 25.45 H new ATOM 1151 N VAL A 73 4.338 -8.313 21.115 1.00 45.34 N ATOM 1152 CA VAL A 73 3.927 -7.076 20.461 1.00 63.12 C ATOM 1153 C VAL A 73 2.542 -7.217 19.840 1.00 61.01 C ATOM 1154 O VAL A 73 1.735 -6.288 19.877 1.00 43.34 O ATOM 1155 CB VAL A 73 4.928 -6.660 19.367 1.00 43.04 C ATOM 1156 CG1 VAL A 73 4.328 -5.583 18.475 1.00 23.51 C ATOM 1157 CG2 VAL A 73 6.231 -6.182 19.991 1.00 72.24 C ATOM 0 H VAL A 73 5.231 -8.685 20.791 1.00 45.34 H new ATOM 0 HA VAL A 73 3.900 -6.305 21.231 1.00 63.12 H new ATOM 0 HB VAL A 73 5.146 -7.531 18.748 1.00 43.04 H new ATOM 0 HG11 VAL A 73 5.050 -5.302 17.708 1.00 23.51 H new ATOM 0 HG12 VAL A 73 3.425 -5.966 18.000 1.00 23.51 H new ATOM 0 HG13 VAL A 73 4.079 -4.709 19.077 1.00 23.51 H new ATOM 0 HG21 VAL A 73 6.927 -5.892 19.204 1.00 72.24 H new ATOM 0 HG22 VAL A 73 6.033 -5.325 20.634 1.00 72.24 H new ATOM 0 HG23 VAL A 73 6.668 -6.987 20.583 1.00 72.24 H new ATOM 1167 N LYS A 74 2.272 -8.386 19.270 1.00 74.33 N ATOM 1168 CA LYS A 74 0.983 -8.652 18.641 1.00 11.34 C ATOM 1169 C LYS A 74 -0.142 -8.615 19.671 1.00 52.33 C ATOM 1170 O LYS A 74 -1.226 -8.097 19.402 1.00 52.21 O ATOM 1171 CB LYS A 74 1.004 -10.013 17.942 1.00 10.20 C ATOM 1172 CG LYS A 74 2.130 -10.161 16.934 1.00 24.30 C ATOM 1173 CD LYS A 74 2.354 -11.616 16.557 1.00 34.34 C ATOM 1174 CE LYS A 74 2.369 -11.805 15.048 1.00 24.43 C ATOM 1175 NZ LYS A 74 2.437 -13.244 14.670 1.00 33.22 N ATOM 0 H LYS A 74 2.929 -9.165 19.230 1.00 74.33 H new ATOM 0 HA LYS A 74 0.801 -7.873 17.900 1.00 11.34 H new ATOM 0 HB2 LYS A 74 1.095 -10.797 18.694 1.00 10.20 H new ATOM 0 HB3 LYS A 74 0.051 -10.167 17.435 1.00 10.20 H new ATOM 0 HG2 LYS A 74 1.896 -9.584 16.039 1.00 24.30 H new ATOM 0 HG3 LYS A 74 3.048 -9.746 17.350 1.00 24.30 H new ATOM 0 HD2 LYS A 74 3.299 -11.960 16.977 1.00 34.34 H new ATOM 0 HD3 LYS A 74 1.568 -12.231 16.994 1.00 34.34 H new ATOM 0 HE2 LYS A 74 1.473 -11.358 14.617 1.00 24.43 H new ATOM 0 HE3 LYS A 74 3.224 -11.277 14.624 1.00 24.43 H new ATOM 0 HZ1 LYS A 74 2.445 -13.331 13.634 1.00 33.22 H new ATOM 0 HZ2 LYS A 74 3.305 -13.665 15.060 1.00 33.22 H new ATOM 0 HZ3 LYS A 74 1.609 -13.743 15.052 1.00 33.22 H new ATOM 1189 N VAL A 75 0.123 -9.166 20.851 1.00 41.02 N ATOM 1190 CA VAL A 75 -0.866 -9.193 21.921 1.00 33.55 C ATOM 1191 C VAL A 75 -1.289 -7.783 22.315 1.00 14.31 C ATOM 1192 O VAL A 75 -2.378 -7.576 22.852 1.00 61.42 O ATOM 1193 CB VAL A 75 -0.326 -9.922 23.166 1.00 1.35 C ATOM 1194 CG1 VAL A 75 -1.305 -9.800 24.324 1.00 55.03 C ATOM 1195 CG2 VAL A 75 -0.043 -11.382 22.848 1.00 21.11 C ATOM 0 H VAL A 75 1.015 -9.600 21.090 1.00 41.02 H new ATOM 0 HA VAL A 75 -1.731 -9.735 21.538 1.00 33.55 H new ATOM 0 HB VAL A 75 0.611 -9.451 23.463 1.00 1.35 H new ATOM 0 HG11 VAL A 75 -0.906 -10.321 25.194 1.00 55.03 H new ATOM 0 HG12 VAL A 75 -1.452 -8.748 24.567 1.00 55.03 H new ATOM 0 HG13 VAL A 75 -2.260 -10.244 24.042 1.00 55.03 H new ATOM 0 HG21 VAL A 75 0.338 -11.881 23.739 1.00 21.11 H new ATOM 0 HG22 VAL A 75 -0.963 -11.869 22.524 1.00 21.11 H new ATOM 0 HG23 VAL A 75 0.699 -11.444 22.052 1.00 21.11 H new ATOM 1205 N VAL A 76 -0.421 -6.813 22.044 1.00 33.12 N ATOM 1206 CA VAL A 76 -0.705 -5.420 22.368 1.00 32.34 C ATOM 1207 C VAL A 76 -1.642 -4.797 21.340 1.00 42.52 C ATOM 1208 O VAL A 76 -2.658 -4.196 21.692 1.00 2.04 O ATOM 1209 CB VAL A 76 0.588 -4.586 22.442 1.00 74.34 C ATOM 1210 CG1 VAL A 76 0.352 -3.186 21.897 1.00 55.13 C ATOM 1211 CG2 VAL A 76 1.105 -4.531 23.871 1.00 1.11 C ATOM 0 H VAL A 76 0.485 -6.967 21.601 1.00 33.12 H new ATOM 0 HA VAL A 76 -1.188 -5.414 23.345 1.00 32.34 H new ATOM 0 HB VAL A 76 1.346 -5.067 21.824 1.00 74.34 H new ATOM 0 HG11 VAL A 76 1.276 -2.611 21.957 1.00 55.13 H new ATOM 0 HG12 VAL A 76 0.032 -3.250 20.857 1.00 55.13 H new ATOM 0 HG13 VAL A 76 -0.421 -2.692 22.485 1.00 55.13 H new ATOM 0 HG21 VAL A 76 2.019 -3.938 23.905 1.00 1.11 H new ATOM 0 HG22 VAL A 76 0.352 -4.074 24.513 1.00 1.11 H new ATOM 0 HG23 VAL A 76 1.315 -5.542 24.221 1.00 1.11 H new ATOM 1221 N LEU A 77 -1.294 -4.943 20.066 1.00 11.20 N ATOM 1222 CA LEU A 77 -2.104 -4.394 18.984 1.00 72.10 C ATOM 1223 C LEU A 77 -3.416 -5.159 18.844 1.00 15.15 C ATOM 1224 O LEU A 77 -4.495 -4.566 18.829 1.00 12.54 O ATOM 1225 CB LEU A 77 -1.330 -4.443 17.666 1.00 42.53 C ATOM 1226 CG LEU A 77 -0.642 -5.769 17.339 1.00 14.24 C ATOM 1227 CD1 LEU A 77 -1.405 -6.513 16.254 1.00 11.42 C ATOM 1228 CD2 LEU A 77 0.799 -5.532 16.914 1.00 42.34 C ATOM 0 H LEU A 77 -0.457 -5.437 19.757 1.00 11.20 H new ATOM 0 HA LEU A 77 -2.333 -3.356 19.226 1.00 72.10 H new ATOM 0 HB2 LEU A 77 -2.018 -4.204 16.855 1.00 42.53 H new ATOM 0 HB3 LEU A 77 -0.573 -3.659 17.683 1.00 42.53 H new ATOM 0 HG LEU A 77 -0.637 -6.385 18.238 1.00 14.24 H new ATOM 0 HD11 LEU A 77 -0.901 -7.454 16.035 1.00 11.42 H new ATOM 0 HD12 LEU A 77 -2.419 -6.716 16.597 1.00 11.42 H new ATOM 0 HD13 LEU A 77 -1.443 -5.903 15.352 1.00 11.42 H new ATOM 0 HD21 LEU A 77 1.273 -6.487 16.685 1.00 42.34 H new ATOM 0 HD22 LEU A 77 0.817 -4.897 16.029 1.00 42.34 H new ATOM 0 HD23 LEU A 77 1.341 -5.043 17.723 1.00 42.34 H new ATOM 1240 N LYS A 78 -3.317 -6.480 18.745 1.00 75.23 N ATOM 1241 CA LYS A 78 -4.496 -7.328 18.610 1.00 21.22 C ATOM 1242 C LYS A 78 -5.556 -6.954 19.641 1.00 53.33 C ATOM 1243 O LYS A 78 -6.750 -6.942 19.342 1.00 45.44 O ATOM 1244 CB LYS A 78 -4.111 -8.801 18.771 1.00 40.32 C ATOM 1245 CG LYS A 78 -4.896 -9.737 17.869 1.00 54.44 C ATOM 1246 CD LYS A 78 -5.795 -10.662 18.672 1.00 63.11 C ATOM 1247 CE LYS A 78 -7.077 -9.963 19.098 1.00 62.34 C ATOM 1248 NZ LYS A 78 -8.083 -10.925 19.628 1.00 41.34 N ATOM 0 H LYS A 78 -2.432 -6.987 18.756 1.00 75.23 H new ATOM 0 HA LYS A 78 -4.912 -7.174 17.614 1.00 21.22 H new ATOM 0 HB2 LYS A 78 -3.047 -8.915 18.561 1.00 40.32 H new ATOM 0 HB3 LYS A 78 -4.264 -9.097 19.809 1.00 40.32 H new ATOM 0 HG2 LYS A 78 -5.500 -9.153 17.175 1.00 54.44 H new ATOM 0 HG3 LYS A 78 -4.205 -10.330 17.269 1.00 54.44 H new ATOM 0 HD2 LYS A 78 -6.040 -11.541 18.076 1.00 63.11 H new ATOM 0 HD3 LYS A 78 -5.261 -11.014 19.555 1.00 63.11 H new ATOM 0 HE2 LYS A 78 -6.849 -9.219 19.861 1.00 62.34 H new ATOM 0 HE3 LYS A 78 -7.499 -9.428 18.247 1.00 62.34 H new ATOM 0 HZ1 LYS A 78 -8.942 -10.410 19.907 1.00 41.34 H new ATOM 0 HZ2 LYS A 78 -8.320 -11.620 18.892 1.00 41.34 H new ATOM 0 HZ3 LYS A 78 -7.690 -11.418 20.455 1.00 41.34 H new ATOM 1262 N GLY A 79 -5.112 -6.647 20.856 1.00 71.10 N ATOM 1263 CA GLY A 79 -6.036 -6.275 21.911 1.00 20.04 C ATOM 1264 C GLY A 79 -6.320 -4.786 21.935 1.00 72.30 C ATOM 1265 O GLY A 79 -7.370 -4.354 22.413 1.00 30.52 O ATOM 0 H GLY A 79 -4.129 -6.649 21.128 1.00 71.10 H new ATOM 0 HA2 GLY A 79 -6.972 -6.818 21.778 1.00 20.04 H new ATOM 0 HA3 GLY A 79 -5.625 -6.579 22.874 1.00 20.04 H new ATOM 1269 N LEU A 80 -5.383 -3.999 21.419 1.00 11.43 N ATOM 1270 CA LEU A 80 -5.537 -2.548 21.384 1.00 21.32 C ATOM 1271 C LEU A 80 -6.546 -2.133 20.318 1.00 20.34 C ATOM 1272 O LEU A 80 -7.240 -1.127 20.463 1.00 0.31 O ATOM 1273 CB LEU A 80 -4.188 -1.879 21.114 1.00 71.10 C ATOM 1274 CG LEU A 80 -4.117 -0.377 21.389 1.00 53.41 C ATOM 1275 CD1 LEU A 80 -4.691 -0.057 22.761 1.00 71.34 C ATOM 1276 CD2 LEU A 80 -2.682 0.118 21.281 1.00 54.45 C ATOM 0 H LEU A 80 -4.509 -4.340 21.019 1.00 11.43 H new ATOM 0 HA LEU A 80 -5.909 -2.223 22.356 1.00 21.32 H new ATOM 0 HB2 LEU A 80 -3.431 -2.375 21.721 1.00 71.10 H new ATOM 0 HB3 LEU A 80 -3.923 -2.050 20.071 1.00 71.10 H new ATOM 0 HG LEU A 80 -4.716 0.139 20.638 1.00 53.41 H new ATOM 0 HD11 LEU A 80 -4.632 1.017 22.939 1.00 71.34 H new ATOM 0 HD12 LEU A 80 -5.733 -0.375 22.803 1.00 71.34 H new ATOM 0 HD13 LEU A 80 -4.120 -0.583 23.526 1.00 71.34 H new ATOM 0 HD21 LEU A 80 -2.651 1.189 21.480 1.00 54.45 H new ATOM 0 HD22 LEU A 80 -2.061 -0.404 22.009 1.00 54.45 H new ATOM 0 HD23 LEU A 80 -2.305 -0.076 20.277 1.00 54.45 H new ATOM 1288 N LYS A 81 -6.624 -2.917 19.248 1.00 11.31 N ATOM 1289 CA LYS A 81 -7.551 -2.634 18.158 1.00 3.03 C ATOM 1290 C LYS A 81 -8.972 -2.459 18.684 1.00 2.11 C ATOM 1291 O LYS A 81 -9.600 -1.421 18.472 1.00 65.32 O ATOM 1292 CB LYS A 81 -7.513 -3.762 17.124 1.00 14.43 C ATOM 1293 CG LYS A 81 -6.902 -3.349 15.796 1.00 33.14 C ATOM 1294 CD LYS A 81 -5.922 -4.392 15.286 1.00 73.13 C ATOM 1295 CE LYS A 81 -6.266 -4.835 13.872 1.00 40.44 C ATOM 1296 NZ LYS A 81 -7.495 -5.675 13.837 1.00 64.33 N ATOM 0 H LYS A 81 -6.056 -3.754 19.112 1.00 11.31 H new ATOM 0 HA LYS A 81 -7.242 -1.703 17.683 1.00 3.03 H new ATOM 0 HB2 LYS A 81 -6.945 -4.598 17.531 1.00 14.43 H new ATOM 0 HB3 LYS A 81 -8.528 -4.120 16.952 1.00 14.43 H new ATOM 0 HG2 LYS A 81 -7.693 -3.201 15.061 1.00 33.14 H new ATOM 0 HG3 LYS A 81 -6.391 -2.393 15.911 1.00 33.14 H new ATOM 0 HD2 LYS A 81 -4.912 -3.984 15.305 1.00 73.13 H new ATOM 0 HD3 LYS A 81 -5.929 -5.256 15.951 1.00 73.13 H new ATOM 0 HE2 LYS A 81 -6.408 -3.958 13.241 1.00 40.44 H new ATOM 0 HE3 LYS A 81 -5.430 -5.396 13.454 1.00 40.44 H new ATOM 0 HZ1 LYS A 81 -7.695 -5.956 12.856 1.00 64.33 H new ATOM 0 HZ2 LYS A 81 -7.351 -6.525 14.418 1.00 64.33 H new ATOM 0 HZ3 LYS A 81 -8.298 -5.131 14.212 1.00 64.33 H new ATOM 1310 N VAL A 82 -9.473 -3.479 19.372 1.00 34.54 N ATOM 1311 CA VAL A 82 -10.819 -3.437 19.931 1.00 75.01 C ATOM 1312 C VAL A 82 -10.997 -2.231 20.847 1.00 64.31 C ATOM 1313 O VAL A 82 -12.101 -1.949 21.311 1.00 3.13 O ATOM 1314 CB VAL A 82 -11.140 -4.720 20.721 1.00 0.32 C ATOM 1315 CG1 VAL A 82 -10.874 -4.514 22.205 1.00 45.25 C ATOM 1316 CG2 VAL A 82 -12.581 -5.145 20.484 1.00 51.01 C ATOM 0 H VAL A 82 -8.967 -4.345 19.556 1.00 34.54 H new ATOM 0 HA VAL A 82 -11.508 -3.356 19.090 1.00 75.01 H new ATOM 0 HB VAL A 82 -10.487 -5.517 20.366 1.00 0.32 H new ATOM 0 HG11 VAL A 82 -11.106 -5.431 22.747 1.00 45.25 H new ATOM 0 HG12 VAL A 82 -9.825 -4.260 22.355 1.00 45.25 H new ATOM 0 HG13 VAL A 82 -11.500 -3.703 22.578 1.00 45.25 H new ATOM 0 HG21 VAL A 82 -12.790 -6.053 21.050 1.00 51.01 H new ATOM 0 HG22 VAL A 82 -13.253 -4.351 20.810 1.00 51.01 H new ATOM 0 HG23 VAL A 82 -12.734 -5.336 19.422 1.00 51.01 H new ATOM 1326 N MET A 83 -9.901 -1.523 21.102 1.00 34.12 N ATOM 1327 CA MET A 83 -9.936 -0.346 21.962 1.00 53.42 C ATOM 1328 C MET A 83 -10.046 0.930 21.132 1.00 23.05 C ATOM 1329 O MET A 83 -10.392 1.990 21.651 1.00 51.41 O ATOM 1330 CB MET A 83 -8.685 -0.291 22.840 1.00 65.33 C ATOM 1331 CG MET A 83 -8.781 0.716 23.974 1.00 41.01 C ATOM 1332 SD MET A 83 -10.107 0.331 25.134 1.00 44.11 S ATOM 1333 CE MET A 83 -9.247 0.496 26.697 1.00 73.52 C ATOM 0 H MET A 83 -8.979 -1.744 20.726 1.00 34.12 H new ATOM 0 HA MET A 83 -10.816 -0.420 22.601 1.00 53.42 H new ATOM 0 HB2 MET A 83 -8.501 -1.281 23.259 1.00 65.33 H new ATOM 0 HB3 MET A 83 -7.825 -0.044 22.218 1.00 65.33 H new ATOM 0 HG2 MET A 83 -7.832 0.746 24.510 1.00 41.01 H new ATOM 0 HG3 MET A 83 -8.944 1.711 23.559 1.00 41.01 H new ATOM 0 HE1 MET A 83 -9.681 -0.190 27.425 1.00 73.52 H new ATOM 0 HE2 MET A 83 -8.192 0.259 26.559 1.00 73.52 H new ATOM 0 HE3 MET A 83 -9.344 1.519 27.060 1.00 73.52 H new ATOM 1343 N ASN A 84 -9.748 0.819 19.842 1.00 24.10 N ATOM 1344 CA ASN A 84 -9.812 1.964 18.941 1.00 2.24 C ATOM 1345 C ASN A 84 -8.614 2.886 19.147 1.00 24.03 C ATOM 1346 O ASN A 84 -8.699 4.094 18.921 1.00 34.23 O ATOM 1347 CB ASN A 84 -11.111 2.741 19.163 1.00 51.23 C ATOM 1348 CG ASN A 84 -11.716 3.238 17.864 1.00 71.12 C ATOM 1349 OD1 ASN A 84 -11.818 2.493 16.889 1.00 43.33 O ATOM 1350 ND2 ASN A 84 -12.121 4.502 17.845 1.00 11.55 N ATOM 0 H ASN A 84 -9.460 -0.052 19.397 1.00 24.10 H new ATOM 0 HA ASN A 84 -9.789 1.591 17.917 1.00 2.24 H new ATOM 0 HB2 ASN A 84 -11.831 2.102 19.675 1.00 51.23 H new ATOM 0 HB3 ASN A 84 -10.916 3.590 19.818 1.00 51.23 H new ATOM 0 HD21 ASN A 84 -12.536 4.892 16.999 1.00 11.55 H new ATOM 0 HD22 ASN A 84 -12.017 5.083 18.677 1.00 11.55 H new ATOM 1357 N LEU A 85 -7.497 2.308 19.577 1.00 50.52 N ATOM 1358 CA LEU A 85 -6.280 3.077 19.813 1.00 41.42 C ATOM 1359 C LEU A 85 -5.401 3.102 18.566 1.00 11.04 C ATOM 1360 O LEU A 85 -4.176 3.193 18.659 1.00 72.31 O ATOM 1361 CB LEU A 85 -5.500 2.487 20.989 1.00 72.11 C ATOM 1362 CG LEU A 85 -5.509 3.307 22.280 1.00 72.24 C ATOM 1363 CD1 LEU A 85 -5.419 4.793 21.969 1.00 74.34 C ATOM 1364 CD2 LEU A 85 -6.758 3.005 23.094 1.00 15.04 C ATOM 0 H LEU A 85 -7.409 1.310 19.769 1.00 50.52 H new ATOM 0 HA LEU A 85 -6.567 4.101 20.053 1.00 41.42 H new ATOM 0 HB2 LEU A 85 -5.904 1.498 21.207 1.00 72.11 H new ATOM 0 HB3 LEU A 85 -4.465 2.347 20.678 1.00 72.11 H new ATOM 0 HG LEU A 85 -4.637 3.028 22.872 1.00 72.24 H new ATOM 0 HD11 LEU A 85 -5.427 5.361 22.900 1.00 74.34 H new ATOM 0 HD12 LEU A 85 -4.495 4.996 21.428 1.00 74.34 H new ATOM 0 HD13 LEU A 85 -6.271 5.089 21.357 1.00 74.34 H new ATOM 0 HD21 LEU A 85 -6.748 3.597 24.009 1.00 15.04 H new ATOM 0 HD22 LEU A 85 -7.643 3.256 22.509 1.00 15.04 H new ATOM 0 HD23 LEU A 85 -6.779 1.945 23.348 1.00 15.04 H new ATOM 1376 N LEU A 86 -6.034 3.023 17.401 1.00 30.11 N ATOM 1377 CA LEU A 86 -5.310 3.039 16.135 1.00 71.54 C ATOM 1378 C LEU A 86 -4.507 4.326 15.982 1.00 2.24 C ATOM 1379 O LEU A 86 -3.686 4.453 15.075 1.00 63.53 O ATOM 1380 CB LEU A 86 -6.285 2.891 14.965 1.00 13.03 C ATOM 1381 CG LEU A 86 -6.850 1.489 14.735 1.00 62.21 C ATOM 1382 CD1 LEU A 86 -8.293 1.410 15.208 1.00 50.03 C ATOM 1383 CD2 LEU A 86 -6.746 1.107 13.265 1.00 14.14 C ATOM 0 H LEU A 86 -7.047 2.947 17.307 1.00 30.11 H new ATOM 0 HA LEU A 86 -4.617 2.198 16.132 1.00 71.54 H new ATOM 0 HB2 LEU A 86 -7.118 3.575 15.124 1.00 13.03 H new ATOM 0 HB3 LEU A 86 -5.779 3.211 14.054 1.00 13.03 H new ATOM 0 HG LEU A 86 -6.260 0.780 15.317 1.00 62.21 H new ATOM 0 HD11 LEU A 86 -8.678 0.405 15.036 1.00 50.03 H new ATOM 0 HD12 LEU A 86 -8.340 1.639 16.273 1.00 50.03 H new ATOM 0 HD13 LEU A 86 -8.897 2.129 14.655 1.00 50.03 H new ATOM 0 HD21 LEU A 86 -7.153 0.106 13.119 1.00 14.14 H new ATOM 0 HD22 LEU A 86 -7.311 1.819 12.663 1.00 14.14 H new ATOM 0 HD23 LEU A 86 -5.700 1.122 12.958 1.00 14.14 H new ATOM 1395 N GLU A 87 -4.749 5.278 16.878 1.00 24.05 N ATOM 1396 CA GLU A 87 -4.046 6.555 16.844 1.00 40.34 C ATOM 1397 C GLU A 87 -2.535 6.344 16.794 1.00 55.21 C ATOM 1398 O GLU A 87 -1.898 6.577 15.766 1.00 1.31 O ATOM 1399 CB GLU A 87 -4.414 7.399 18.066 1.00 32.31 C ATOM 1400 CG GLU A 87 -3.728 8.754 18.099 1.00 14.13 C ATOM 1401 CD GLU A 87 -4.255 9.701 17.038 1.00 33.32 C ATOM 1402 OE1 GLU A 87 -5.479 9.952 17.023 1.00 64.00 O ATOM 1403 OE2 GLU A 87 -3.445 10.190 16.223 1.00 32.35 O ATOM 0 H GLU A 87 -5.426 5.189 17.636 1.00 24.05 H new ATOM 0 HA GLU A 87 -4.352 7.084 15.941 1.00 40.34 H new ATOM 0 HB2 GLU A 87 -5.494 7.547 18.083 1.00 32.31 H new ATOM 0 HB3 GLU A 87 -4.154 6.848 18.970 1.00 32.31 H new ATOM 0 HG2 GLU A 87 -3.866 9.203 19.082 1.00 14.13 H new ATOM 0 HG3 GLU A 87 -2.656 8.618 17.959 1.00 14.13 H new ATOM 1410 N LEU A 88 -1.969 5.902 17.911 1.00 0.12 N ATOM 1411 CA LEU A 88 -0.533 5.659 17.997 1.00 50.52 C ATOM 1412 C LEU A 88 -0.159 4.354 17.302 1.00 1.10 C ATOM 1413 O LEU A 88 0.941 4.216 16.767 1.00 4.34 O ATOM 1414 CB LEU A 88 -0.089 5.617 19.460 1.00 14.01 C ATOM 1415 CG LEU A 88 -0.801 6.586 20.406 1.00 63.35 C ATOM 1416 CD1 LEU A 88 -0.995 7.938 19.737 1.00 34.31 C ATOM 1417 CD2 LEU A 88 -2.138 6.011 20.851 1.00 43.33 C ATOM 0 H LEU A 88 -2.482 5.704 18.770 1.00 0.12 H new ATOM 0 HA LEU A 88 -0.020 6.478 17.492 1.00 50.52 H new ATOM 0 HB2 LEU A 88 -0.234 4.603 19.834 1.00 14.01 H new ATOM 0 HB3 LEU A 88 0.981 5.822 19.500 1.00 14.01 H new ATOM 0 HG LEU A 88 -0.178 6.727 21.289 1.00 63.35 H new ATOM 0 HD11 LEU A 88 -1.503 8.615 20.424 1.00 34.31 H new ATOM 0 HD12 LEU A 88 -0.024 8.354 19.469 1.00 34.31 H new ATOM 0 HD13 LEU A 88 -1.598 7.815 18.837 1.00 34.31 H new ATOM 0 HD21 LEU A 88 -2.631 6.714 21.523 1.00 43.33 H new ATOM 0 HD22 LEU A 88 -2.769 5.840 19.979 1.00 43.33 H new ATOM 0 HD23 LEU A 88 -1.973 5.067 21.370 1.00 43.33 H new ATOM 1429 N VAL A 89 -1.083 3.399 17.312 1.00 61.52 N ATOM 1430 CA VAL A 89 -0.852 2.105 16.680 1.00 42.11 C ATOM 1431 C VAL A 89 -0.486 2.270 15.209 1.00 72.30 C ATOM 1432 O VAL A 89 0.179 1.414 14.625 1.00 53.15 O ATOM 1433 CB VAL A 89 -2.091 1.197 16.791 1.00 23.30 C ATOM 1434 CG1 VAL A 89 -1.966 0.006 15.852 1.00 13.52 C ATOM 1435 CG2 VAL A 89 -2.285 0.735 18.227 1.00 12.24 C ATOM 0 H VAL A 89 -1.999 3.497 17.751 1.00 61.52 H new ATOM 0 HA VAL A 89 -0.021 1.638 17.208 1.00 42.11 H new ATOM 0 HB VAL A 89 -2.969 1.772 16.496 1.00 23.30 H new ATOM 0 HG11 VAL A 89 -2.850 -0.624 15.944 1.00 13.52 H new ATOM 0 HG12 VAL A 89 -1.878 0.360 14.825 1.00 13.52 H new ATOM 0 HG13 VAL A 89 -1.080 -0.572 16.113 1.00 13.52 H new ATOM 0 HG21 VAL A 89 -3.165 0.094 18.287 1.00 12.24 H new ATOM 0 HG22 VAL A 89 -1.407 0.177 18.551 1.00 12.24 H new ATOM 0 HG23 VAL A 89 -2.423 1.602 18.873 1.00 12.24 H new ATOM 1445 N ASP A 90 -0.924 3.375 14.616 1.00 34.23 N ATOM 1446 CA ASP A 90 -0.642 3.653 13.213 1.00 50.30 C ATOM 1447 C ASP A 90 0.798 3.287 12.865 1.00 15.33 C ATOM 1448 O ASP A 90 1.045 2.520 11.936 1.00 71.23 O ATOM 1449 CB ASP A 90 -0.895 5.129 12.903 1.00 52.41 C ATOM 1450 CG ASP A 90 -1.712 5.324 11.641 1.00 52.03 C ATOM 1451 OD1 ASP A 90 -1.459 4.603 10.653 1.00 51.03 O ATOM 1452 OD2 ASP A 90 -2.605 6.197 11.641 1.00 32.32 O ATOM 0 H ASP A 90 -1.476 4.093 15.085 1.00 34.23 H new ATOM 0 HA ASP A 90 -1.310 3.042 12.606 1.00 50.30 H new ATOM 0 HB2 ASP A 90 -1.414 5.590 13.743 1.00 52.41 H new ATOM 0 HB3 ASP A 90 0.060 5.644 12.797 1.00 52.41 H new ATOM 1457 N GLN A 91 1.742 3.843 13.618 1.00 61.44 N ATOM 1458 CA GLN A 91 3.157 3.576 13.387 1.00 31.51 C ATOM 1459 C GLN A 91 3.562 2.232 13.984 1.00 34.14 C ATOM 1460 O GLN A 91 4.020 1.337 13.273 1.00 44.11 O ATOM 1461 CB GLN A 91 4.013 4.692 13.987 1.00 12.31 C ATOM 1462 CG GLN A 91 4.634 5.609 12.946 1.00 53.33 C ATOM 1463 CD GLN A 91 5.411 6.754 13.565 1.00 13.22 C ATOM 1464 OE1 GLN A 91 6.139 6.569 14.541 1.00 41.34 O ATOM 1465 NE2 GLN A 91 5.260 7.947 13.001 1.00 74.55 N ATOM 0 H GLN A 91 1.553 4.480 14.392 1.00 61.44 H new ATOM 0 HA GLN A 91 3.323 3.540 12.310 1.00 31.51 H new ATOM 0 HB2 GLN A 91 3.398 5.287 14.663 1.00 12.31 H new ATOM 0 HB3 GLN A 91 4.807 4.247 14.587 1.00 12.31 H new ATOM 0 HG2 GLN A 91 5.298 5.028 12.306 1.00 53.33 H new ATOM 0 HG3 GLN A 91 3.848 6.012 12.307 1.00 53.33 H new ATOM 0 HE21 GLN A 91 4.646 8.055 12.193 1.00 74.55 H new ATOM 0 HE22 GLN A 91 5.758 8.755 13.375 1.00 74.55 H new ATOM 1474 N LEU A 92 3.389 2.097 15.295 1.00 64.34 N ATOM 1475 CA LEU A 92 3.737 0.861 15.989 1.00 41.54 C ATOM 1476 C LEU A 92 3.479 -0.352 15.102 1.00 63.43 C ATOM 1477 O LEU A 92 4.354 -1.199 14.922 1.00 64.32 O ATOM 1478 CB LEU A 92 2.936 0.739 17.286 1.00 55.13 C ATOM 1479 CG LEU A 92 3.020 -0.609 18.002 1.00 2.14 C ATOM 1480 CD1 LEU A 92 2.054 -1.605 17.381 1.00 34.33 C ATOM 1481 CD2 LEU A 92 4.443 -1.147 17.961 1.00 42.42 C ATOM 0 H LEU A 92 3.010 2.827 15.898 1.00 64.34 H new ATOM 0 HA LEU A 92 4.800 0.894 16.228 1.00 41.54 H new ATOM 0 HB2 LEU A 92 3.275 1.514 17.973 1.00 55.13 H new ATOM 0 HB3 LEU A 92 1.889 0.945 17.064 1.00 55.13 H new ATOM 0 HG LEU A 92 2.738 -0.463 19.045 1.00 2.14 H new ATOM 0 HD11 LEU A 92 2.128 -2.558 17.904 1.00 34.33 H new ATOM 0 HD12 LEU A 92 1.036 -1.224 17.463 1.00 34.33 H new ATOM 0 HD13 LEU A 92 2.304 -1.747 16.330 1.00 34.33 H new ATOM 0 HD21 LEU A 92 4.484 -2.107 18.475 1.00 42.42 H new ATOM 0 HD22 LEU A 92 4.753 -1.277 16.924 1.00 42.42 H new ATOM 0 HD23 LEU A 92 5.113 -0.442 18.454 1.00 42.42 H new ATOM 1493 N SER A 93 2.273 -0.429 14.548 1.00 23.12 N ATOM 1494 CA SER A 93 1.900 -1.540 13.681 1.00 74.22 C ATOM 1495 C SER A 93 2.783 -1.580 12.438 1.00 65.21 C ATOM 1496 O SER A 93 3.328 -2.626 12.082 1.00 32.15 O ATOM 1497 CB SER A 93 0.430 -1.424 13.272 1.00 50.42 C ATOM 1498 OG SER A 93 -0.411 -2.098 14.192 1.00 4.32 O ATOM 0 H SER A 93 1.538 0.265 14.684 1.00 23.12 H new ATOM 0 HA SER A 93 2.044 -2.466 14.237 1.00 74.22 H new ATOM 0 HB2 SER A 93 0.146 -0.373 13.218 1.00 50.42 H new ATOM 0 HB3 SER A 93 0.293 -1.843 12.275 1.00 50.42 H new ATOM 0 HG SER A 93 -1.345 -2.007 13.909 1.00 4.32 H new ATOM 1504 N HIS A 94 2.922 -0.433 11.780 1.00 33.25 N ATOM 1505 CA HIS A 94 3.740 -0.336 10.577 1.00 51.41 C ATOM 1506 C HIS A 94 5.220 -0.490 10.912 1.00 2.04 C ATOM 1507 O HIS A 94 6.074 -0.461 10.025 1.00 13.32 O ATOM 1508 CB HIS A 94 3.500 1.003 9.879 1.00 41.41 C ATOM 1509 CG HIS A 94 3.075 0.866 8.450 1.00 75.05 C ATOM 1510 ND1 HIS A 94 3.956 0.591 7.425 1.00 34.21 N ATOM 1511 CD2 HIS A 94 1.852 0.966 7.876 1.00 24.41 C ATOM 1512 CE1 HIS A 94 3.294 0.529 6.283 1.00 21.12 C ATOM 1513 NE2 HIS A 94 2.016 0.752 6.529 1.00 11.35 N ATOM 0 H HIS A 94 2.479 0.442 12.060 1.00 33.25 H new ATOM 0 HA HIS A 94 3.452 -1.145 9.905 1.00 51.41 H new ATOM 0 HB2 HIS A 94 2.736 1.556 10.425 1.00 41.41 H new ATOM 0 HB3 HIS A 94 4.414 1.595 9.922 1.00 41.41 H new ATOM 0 HD2 HIS A 94 0.922 1.175 8.383 1.00 24.41 H new ATOM 0 HE1 HIS A 94 3.725 0.330 5.313 1.00 21.12 H new ATOM 0 HE2 HIS A 94 1.271 0.763 5.832 1.00 11.35 H new ATOM 1521 N ILE A 95 5.517 -0.653 12.197 1.00 32.23 N ATOM 1522 CA ILE A 95 6.894 -0.812 12.649 1.00 74.33 C ATOM 1523 C ILE A 95 7.130 -2.211 13.209 1.00 44.40 C ATOM 1524 O ILE A 95 8.269 -2.672 13.293 1.00 62.22 O ATOM 1525 CB ILE A 95 7.257 0.228 13.725 1.00 71.03 C ATOM 1526 CG1 ILE A 95 7.042 1.645 13.189 1.00 62.25 C ATOM 1527 CG2 ILE A 95 8.697 0.040 14.178 1.00 11.03 C ATOM 1528 CD1 ILE A 95 6.842 2.678 14.275 1.00 52.10 C ATOM 0 H ILE A 95 4.822 -0.678 12.944 1.00 32.23 H new ATOM 0 HA ILE A 95 7.532 -0.659 11.779 1.00 74.33 H new ATOM 0 HB ILE A 95 6.604 0.082 14.585 1.00 71.03 H new ATOM 0 HG12 ILE A 95 7.902 1.929 12.582 1.00 62.25 H new ATOM 0 HG13 ILE A 95 6.173 1.648 12.531 1.00 62.25 H new ATOM 0 HG21 ILE A 95 8.939 0.782 14.939 1.00 11.03 H new ATOM 0 HG22 ILE A 95 8.820 -0.960 14.595 1.00 11.03 H new ATOM 0 HG23 ILE A 95 9.365 0.163 13.326 1.00 11.03 H new ATOM 0 HD11 ILE A 95 6.696 3.659 13.822 1.00 52.10 H new ATOM 0 HD12 ILE A 95 5.965 2.418 14.868 1.00 52.10 H new ATOM 0 HD13 ILE A 95 7.721 2.704 14.919 1.00 52.10 H new