USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=13 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 25 ASN : amide:sc= -0.0102 X(o=0.11,f=-0.01) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 139:sc= 0.119 (180deg=-0.0602) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 147:sc= -0.327 (180deg=-2.19!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -169:sc= 0 (180deg=-0.116) USER MOD Single : A 38 THR OG1 : rot -42:sc= -0.832 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 158:sc= 0.654 (180deg=-0.813) 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+ 175:sc= -0.953 (180deg=-1.01) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -139:sc= -2.46 (180deg=-4.63!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= -1.01 K(o=-1,f=-3.2!) USER MOD Single : A 93 SER OG : rot 180:sc= -0.367 USER MOD Single : A 94 HIS : no HE2:sc= 0.253 K(o=0.25,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 11.540 -2.910 18.012 1.00 74.33 N ATOM 165 CA ARG A 12 11.625 -2.802 19.463 1.00 33.11 C ATOM 166 C ARG A 12 11.046 -1.475 19.944 1.00 2.41 C ATOM 167 O ARG A 12 10.244 -1.438 20.877 1.00 63.13 O ATOM 168 CB ARG A 12 13.078 -2.933 19.921 1.00 24.03 C ATOM 169 CG ARG A 12 13.249 -2.870 21.430 1.00 23.43 C ATOM 170 CD ARG A 12 14.711 -2.717 21.819 1.00 4.14 C ATOM 171 NE ARG A 12 15.116 -3.696 22.825 1.00 12.40 N ATOM 172 CZ ARG A 12 16.382 -3.985 23.101 1.00 25.02 C ATOM 173 NH1 ARG A 12 17.363 -3.374 22.451 1.00 53.53 N ATOM 174 NH2 ARG A 12 16.671 -4.888 24.030 1.00 13.42 N ATOM 0 HA ARG A 12 11.040 -3.613 19.898 1.00 33.11 H new ATOM 0 HB2 ARG A 12 13.481 -3.878 19.557 1.00 24.03 H new ATOM 0 HB3 ARG A 12 13.667 -2.138 19.464 1.00 24.03 H new ATOM 0 HG2 ARG A 12 12.676 -2.032 21.828 1.00 23.43 H new ATOM 0 HG3 ARG A 12 12.844 -3.776 21.881 1.00 23.43 H new ATOM 0 HD2 ARG A 12 15.335 -2.829 20.933 1.00 4.14 H new ATOM 0 HD3 ARG A 12 14.880 -1.711 22.203 1.00 4.14 H new ATOM 0 HE ARG A 12 14.386 -4.184 23.344 1.00 12.40 H new ATOM 0 HH11 ARG A 12 17.146 -2.679 21.736 1.00 53.53 H new ATOM 0 HH12 ARG A 12 18.335 -3.599 22.666 1.00 53.53 H new ATOM 0 HH21 ARG A 12 15.920 -5.361 24.533 1.00 13.42 H new ATOM 0 HH22 ARG A 12 17.644 -5.109 24.241 1.00 13.42 H new ATOM 188 N GLU A 13 11.460 -0.387 19.301 1.00 14.00 N ATOM 189 CA GLU A 13 10.983 0.942 19.665 1.00 50.21 C ATOM 190 C GLU A 13 9.504 1.102 19.325 1.00 71.22 C ATOM 191 O GLU A 13 8.826 1.981 19.855 1.00 13.12 O ATOM 192 CB GLU A 13 11.802 2.016 18.946 1.00 53.43 C ATOM 193 CG GLU A 13 12.972 2.538 19.763 1.00 53.55 C ATOM 194 CD GLU A 13 12.995 4.052 19.847 1.00 51.31 C ATOM 195 OE1 GLU A 13 11.918 4.653 20.041 1.00 75.11 O ATOM 196 OE2 GLU A 13 14.092 4.636 19.719 1.00 15.21 O ATOM 0 H GLU A 13 12.124 -0.400 18.527 1.00 14.00 H new ATOM 0 HA GLU A 13 11.105 1.062 20.742 1.00 50.21 H new ATOM 0 HB2 GLU A 13 12.178 1.607 18.008 1.00 53.43 H new ATOM 0 HB3 GLU A 13 11.148 2.849 18.690 1.00 53.43 H new ATOM 0 HG2 GLU A 13 12.922 2.123 20.770 1.00 53.55 H new ATOM 0 HG3 GLU A 13 13.904 2.188 19.320 1.00 53.55 H new ATOM 203 N ALA A 14 9.011 0.245 18.436 1.00 4.22 N ATOM 204 CA ALA A 14 7.613 0.289 18.026 1.00 44.41 C ATOM 205 C ALA A 14 6.694 -0.144 19.162 1.00 32.43 C ATOM 206 O ALA A 14 5.657 0.474 19.406 1.00 0.34 O ATOM 207 CB ALA A 14 7.394 -0.588 16.803 1.00 63.43 C ATOM 0 H ALA A 14 9.560 -0.488 17.986 1.00 4.22 H new ATOM 0 HA ALA A 14 7.368 1.319 17.769 1.00 44.41 H new ATOM 0 HB1 ALA A 14 6.346 -0.546 16.508 1.00 63.43 H new ATOM 0 HB2 ALA A 14 8.017 -0.231 15.983 1.00 63.43 H new ATOM 0 HB3 ALA A 14 7.663 -1.617 17.041 1.00 63.43 H new ATOM 213 N LEU A 15 7.079 -1.211 19.854 1.00 33.21 N ATOM 214 CA LEU A 15 6.288 -1.729 20.965 1.00 11.34 C ATOM 215 C LEU A 15 6.260 -0.735 22.123 1.00 71.53 C ATOM 216 O LEU A 15 5.237 -0.571 22.789 1.00 50.20 O ATOM 217 CB LEU A 15 6.855 -3.067 21.441 1.00 61.42 C ATOM 218 CG LEU A 15 5.898 -3.959 22.233 1.00 11.50 C ATOM 219 CD1 LEU A 15 5.793 -3.481 23.673 1.00 34.11 C ATOM 220 CD2 LEU A 15 4.526 -3.984 21.576 1.00 54.21 C ATOM 0 H LEU A 15 7.934 -1.734 19.665 1.00 33.21 H new ATOM 0 HA LEU A 15 5.267 -1.879 20.613 1.00 11.34 H new ATOM 0 HB2 LEU A 15 7.200 -3.623 20.569 1.00 61.42 H new ATOM 0 HB3 LEU A 15 7.730 -2.868 22.060 1.00 61.42 H new ATOM 0 HG LEU A 15 6.295 -4.974 22.236 1.00 11.50 H new ATOM 0 HD11 LEU A 15 5.108 -4.127 24.222 1.00 34.11 H new ATOM 0 HD12 LEU A 15 6.777 -3.515 24.140 1.00 34.11 H new ATOM 0 HD13 LEU A 15 5.419 -2.457 23.690 1.00 34.11 H new ATOM 0 HD21 LEU A 15 3.858 -4.624 22.153 1.00 54.21 H new ATOM 0 HD22 LEU A 15 4.121 -2.973 21.542 1.00 54.21 H new ATOM 0 HD23 LEU A 15 4.615 -4.374 20.562 1.00 54.21 H new ATOM 232 N LEU A 16 7.388 -0.074 22.355 1.00 23.45 N ATOM 233 CA LEU A 16 7.493 0.905 23.431 1.00 1.42 C ATOM 234 C LEU A 16 6.637 2.133 23.136 1.00 73.55 C ATOM 235 O LEU A 16 5.920 2.626 24.006 1.00 22.24 O ATOM 236 CB LEU A 16 8.952 1.322 23.628 1.00 53.55 C ATOM 237 CG LEU A 16 9.980 0.191 23.622 1.00 70.25 C ATOM 238 CD1 LEU A 16 11.392 0.753 23.566 1.00 70.04 C ATOM 239 CD2 LEU A 16 9.805 -0.695 24.846 1.00 31.42 C ATOM 0 H LEU A 16 8.243 -0.198 21.813 1.00 23.45 H new ATOM 0 HA LEU A 16 7.127 0.441 24.347 1.00 1.42 H new ATOM 0 HB2 LEU A 16 9.216 2.030 22.842 1.00 53.55 H new ATOM 0 HB3 LEU A 16 9.032 1.854 24.576 1.00 53.55 H new ATOM 0 HG LEU A 16 9.818 -0.417 22.732 1.00 70.25 H new ATOM 0 HD11 LEU A 16 12.110 -0.067 23.563 1.00 70.04 H new ATOM 0 HD12 LEU A 16 11.512 1.345 22.659 1.00 70.04 H new ATOM 0 HD13 LEU A 16 11.567 1.385 24.437 1.00 70.04 H new ATOM 0 HD21 LEU A 16 10.545 -1.495 24.825 1.00 31.42 H new ATOM 0 HD22 LEU A 16 9.940 -0.099 25.749 1.00 31.42 H new ATOM 0 HD23 LEU A 16 8.804 -1.127 24.843 1.00 31.42 H new ATOM 251 N TRP A 17 6.715 2.618 21.902 1.00 11.30 N ATOM 252 CA TRP A 17 5.945 3.787 21.491 1.00 71.11 C ATOM 253 C TRP A 17 4.473 3.433 21.310 1.00 31.23 C ATOM 254 O TRP A 17 3.593 4.260 21.545 1.00 11.31 O ATOM 255 CB TRP A 17 6.507 4.362 20.190 1.00 63.32 C ATOM 256 CG TRP A 17 7.132 5.714 20.359 1.00 74.23 C ATOM 257 CD1 TRP A 17 8.084 6.068 21.271 1.00 44.44 C ATOM 258 CD2 TRP A 17 6.845 6.891 19.596 1.00 2.22 C ATOM 259 NE1 TRP A 17 8.408 7.395 21.121 1.00 54.51 N ATOM 260 CE2 TRP A 17 7.662 7.923 20.100 1.00 71.41 C ATOM 261 CE3 TRP A 17 5.980 7.174 18.536 1.00 42.31 C ATOM 262 CZ2 TRP A 17 7.636 9.214 19.579 1.00 22.51 C ATOM 263 CZ3 TRP A 17 5.956 8.456 18.020 1.00 14.24 C ATOM 264 CH2 TRP A 17 6.780 9.463 18.541 1.00 33.44 C ATOM 0 H TRP A 17 7.303 2.221 21.169 1.00 11.30 H new ATOM 0 HA TRP A 17 6.025 4.538 22.277 1.00 71.11 H new ATOM 0 HB2 TRP A 17 7.251 3.674 19.788 1.00 63.32 H new ATOM 0 HB3 TRP A 17 5.705 4.430 19.455 1.00 63.32 H new ATOM 0 HD1 TRP A 17 8.519 5.403 22.003 1.00 44.44 H new ATOM 0 HE1 TRP A 17 9.093 7.904 21.679 1.00 54.51 H new ATOM 0 HE3 TRP A 17 5.342 6.405 18.127 1.00 42.31 H new ATOM 0 HZ2 TRP A 17 8.269 9.991 19.980 1.00 22.51 H new ATOM 0 HZ3 TRP A 17 5.291 8.686 17.201 1.00 14.24 H new ATOM 0 HH2 TRP A 17 6.738 10.455 18.115 1.00 33.44 H new ATOM 275 N ALA A 18 4.213 2.199 20.892 1.00 35.51 N ATOM 276 CA ALA A 18 2.847 1.735 20.683 1.00 55.25 C ATOM 277 C ALA A 18 2.140 1.491 22.011 1.00 14.35 C ATOM 278 O ALA A 18 1.125 2.122 22.312 1.00 43.31 O ATOM 279 CB ALA A 18 2.842 0.468 19.840 1.00 43.30 C ATOM 0 H ALA A 18 4.930 1.502 20.691 1.00 35.51 H new ATOM 0 HA ALA A 18 2.303 2.515 20.150 1.00 55.25 H new ATOM 0 HB1 ALA A 18 1.815 0.133 19.692 1.00 43.30 H new ATOM 0 HB2 ALA A 18 3.300 0.673 18.872 1.00 43.30 H new ATOM 0 HB3 ALA A 18 3.408 -0.311 20.351 1.00 43.30 H new ATOM 285 N LEU A 19 2.680 0.572 22.804 1.00 43.32 N ATOM 286 CA LEU A 19 2.101 0.244 24.102 1.00 55.24 C ATOM 287 C LEU A 19 1.910 1.500 24.946 1.00 2.11 C ATOM 288 O LEU A 19 1.042 1.549 25.817 1.00 75.11 O ATOM 289 CB LEU A 19 2.993 -0.753 24.843 1.00 13.35 C ATOM 290 CG LEU A 19 4.205 -0.162 25.563 1.00 4.42 C ATOM 291 CD1 LEU A 19 3.803 0.392 26.921 1.00 33.34 C ATOM 292 CD2 LEU A 19 5.298 -1.209 25.715 1.00 65.51 C ATOM 0 H LEU A 19 3.519 0.040 22.571 1.00 43.32 H new ATOM 0 HA LEU A 19 1.124 -0.209 23.933 1.00 55.24 H new ATOM 0 HB2 LEU A 19 2.383 -1.282 25.575 1.00 13.35 H new ATOM 0 HB3 LEU A 19 3.347 -1.495 24.127 1.00 13.35 H new ATOM 0 HG LEU A 19 4.596 0.658 24.961 1.00 4.42 H new ATOM 0 HD11 LEU A 19 4.679 0.808 27.418 1.00 33.34 H new ATOM 0 HD12 LEU A 19 3.055 1.174 26.788 1.00 33.34 H new ATOM 0 HD13 LEU A 19 3.386 -0.409 27.532 1.00 33.34 H new ATOM 0 HD21 LEU A 19 6.153 -0.770 26.230 1.00 65.51 H new ATOM 0 HD22 LEU A 19 4.918 -2.050 26.295 1.00 65.51 H new ATOM 0 HD23 LEU A 19 5.607 -1.558 24.730 1.00 65.51 H new ATOM 304 N SER A 20 2.727 2.515 24.681 1.00 30.30 N ATOM 305 CA SER A 20 2.650 3.771 25.418 1.00 73.24 C ATOM 306 C SER A 20 1.659 4.726 24.760 1.00 55.10 C ATOM 307 O SER A 20 1.154 5.650 25.398 1.00 53.32 O ATOM 308 CB SER A 20 4.030 4.425 25.497 1.00 2.44 C ATOM 309 OG SER A 20 4.072 5.405 26.520 1.00 13.15 O ATOM 0 H SER A 20 3.450 2.492 23.962 1.00 30.30 H new ATOM 0 HA SER A 20 2.302 3.552 26.427 1.00 73.24 H new ATOM 0 HB2 SER A 20 4.786 3.664 25.687 1.00 2.44 H new ATOM 0 HB3 SER A 20 4.274 4.884 24.539 1.00 2.44 H new ATOM 0 HG SER A 20 4.965 5.807 26.551 1.00 13.15 H new ATOM 315 N ASP A 21 1.385 4.496 23.481 1.00 41.15 N ATOM 316 CA ASP A 21 0.454 5.335 22.735 1.00 73.31 C ATOM 317 C ASP A 21 -0.968 5.168 23.261 1.00 35.10 C ATOM 318 O ASP A 21 -1.738 6.128 23.317 1.00 4.45 O ATOM 319 CB ASP A 21 0.504 4.990 21.246 1.00 74.13 C ATOM 320 CG ASP A 21 0.952 6.162 20.395 1.00 62.32 C ATOM 321 OD1 ASP A 21 0.097 7.000 20.042 1.00 72.00 O ATOM 322 OD2 ASP A 21 2.159 6.240 20.081 1.00 53.00 O ATOM 0 H ASP A 21 1.794 3.735 22.939 1.00 41.15 H new ATOM 0 HA ASP A 21 0.752 6.375 22.869 1.00 73.31 H new ATOM 0 HB2 ASP A 21 1.184 4.152 21.093 1.00 74.13 H new ATOM 0 HB3 ASP A 21 -0.483 4.663 20.918 1.00 74.13 H new ATOM 327 N LEU A 22 -1.312 3.943 23.644 1.00 11.20 N ATOM 328 CA LEU A 22 -2.643 3.650 24.165 1.00 62.41 C ATOM 329 C LEU A 22 -2.716 3.930 25.662 1.00 4.53 C ATOM 330 O LEU A 22 -1.693 3.972 26.346 1.00 72.33 O ATOM 331 CB LEU A 22 -3.009 2.190 23.890 1.00 51.23 C ATOM 332 CG LEU A 22 -1.854 1.189 23.931 1.00 32.14 C ATOM 333 CD1 LEU A 22 -2.296 -0.109 24.590 1.00 11.41 C ATOM 334 CD2 LEU A 22 -1.327 0.924 22.529 1.00 42.43 C ATOM 0 H LEU A 22 -0.688 3.137 23.604 1.00 11.20 H new ATOM 0 HA LEU A 22 -3.356 4.300 23.657 1.00 62.41 H new ATOM 0 HB2 LEU A 22 -3.758 1.880 24.619 1.00 51.23 H new ATOM 0 HB3 LEU A 22 -3.478 2.133 22.908 1.00 51.23 H new ATOM 0 HG LEU A 22 -1.048 1.619 24.525 1.00 32.14 H new ATOM 0 HD11 LEU A 22 -1.461 -0.809 24.610 1.00 11.41 H new ATOM 0 HD12 LEU A 22 -2.624 0.094 25.609 1.00 11.41 H new ATOM 0 HD13 LEU A 22 -3.120 -0.543 24.023 1.00 11.41 H new ATOM 0 HD21 LEU A 22 -0.505 0.209 22.578 1.00 42.43 H new ATOM 0 HD22 LEU A 22 -2.127 0.516 21.911 1.00 42.43 H new ATOM 0 HD23 LEU A 22 -0.971 1.857 22.092 1.00 42.43 H new ATOM 346 N GLU A 23 -3.931 4.121 26.165 1.00 35.32 N ATOM 347 CA GLU A 23 -4.137 4.396 27.582 1.00 3.04 C ATOM 348 C GLU A 23 -3.905 3.141 28.419 1.00 13.35 C ATOM 349 O GLU A 23 -4.046 2.022 27.929 1.00 33.42 O ATOM 350 CB GLU A 23 -5.551 4.928 27.822 1.00 52.34 C ATOM 351 CG GLU A 23 -5.767 6.339 27.299 1.00 73.52 C ATOM 352 CD GLU A 23 -7.036 6.972 27.837 1.00 43.13 C ATOM 353 OE1 GLU A 23 -7.803 6.269 28.527 1.00 62.40 O ATOM 354 OE2 GLU A 23 -7.261 8.170 27.568 1.00 53.34 O ATOM 0 H GLU A 23 -4.788 4.090 25.612 1.00 35.32 H new ATOM 0 HA GLU A 23 -3.416 5.154 27.887 1.00 3.04 H new ATOM 0 HB2 GLU A 23 -6.268 4.259 27.345 1.00 52.34 H new ATOM 0 HB3 GLU A 23 -5.760 4.910 28.892 1.00 52.34 H new ATOM 0 HG2 GLU A 23 -4.913 6.958 27.572 1.00 73.52 H new ATOM 0 HG3 GLU A 23 -5.810 6.316 26.210 1.00 73.52 H new ATOM 361 N GLU A 24 -3.549 3.339 29.685 1.00 63.42 N ATOM 362 CA GLU A 24 -3.296 2.223 30.589 1.00 13.25 C ATOM 363 C GLU A 24 -4.549 1.368 30.762 1.00 44.41 C ATOM 364 O GLU A 24 -4.466 0.149 30.899 1.00 72.43 O ATOM 365 CB GLU A 24 -2.826 2.738 31.951 1.00 3.42 C ATOM 366 CG GLU A 24 -3.754 3.772 32.565 1.00 55.51 C ATOM 367 CD GLU A 24 -4.832 3.148 33.430 1.00 53.32 C ATOM 368 OE1 GLU A 24 -4.928 1.903 33.451 1.00 52.23 O ATOM 369 OE2 GLU A 24 -5.579 3.904 34.085 1.00 15.13 O ATOM 0 H GLU A 24 -3.430 4.260 30.107 1.00 63.42 H new ATOM 0 HA GLU A 24 -2.512 1.605 30.151 1.00 13.25 H new ATOM 0 HB2 GLU A 24 -2.732 1.895 32.636 1.00 3.42 H new ATOM 0 HB3 GLU A 24 -1.833 3.173 31.842 1.00 3.42 H new ATOM 0 HG2 GLU A 24 -3.169 4.468 33.166 1.00 55.51 H new ATOM 0 HG3 GLU A 24 -4.222 4.352 31.770 1.00 55.51 H new ATOM 376 N ASN A 25 -5.708 2.019 30.755 1.00 44.02 N ATOM 377 CA ASN A 25 -6.978 1.320 30.911 1.00 23.45 C ATOM 378 C ASN A 25 -7.342 0.562 29.638 1.00 14.33 C ATOM 379 O ASN A 25 -8.423 -0.019 29.538 1.00 61.25 O ATOM 380 CB ASN A 25 -8.089 2.310 31.265 1.00 1.11 C ATOM 381 CG ASN A 25 -8.972 1.810 32.392 1.00 73.13 C ATOM 382 OD1 ASN A 25 -10.191 1.716 32.245 1.00 61.42 O ATOM 383 ND2 ASN A 25 -8.360 1.487 33.525 1.00 63.32 N ATOM 0 H ASN A 25 -5.794 3.029 30.643 1.00 44.02 H new ATOM 0 HA ASN A 25 -6.871 0.600 31.722 1.00 23.45 H new ATOM 0 HB2 ASN A 25 -7.645 3.263 31.551 1.00 1.11 H new ATOM 0 HB3 ASN A 25 -8.701 2.496 30.382 1.00 1.11 H new ATOM 0 HD21 ASN A 25 -8.903 1.145 34.318 1.00 63.32 H new ATOM 0 HD22 ASN A 25 -7.347 1.581 33.602 1.00 63.32 H new ATOM 390 N ASP A 26 -6.434 0.574 28.669 1.00 21.52 N ATOM 391 CA ASP A 26 -6.658 -0.113 27.403 1.00 74.54 C ATOM 392 C ASP A 26 -5.710 -1.298 27.251 1.00 25.33 C ATOM 393 O ASP A 26 -6.143 -2.432 27.043 1.00 51.31 O ATOM 394 CB ASP A 26 -6.475 0.855 26.233 1.00 13.11 C ATOM 395 CG ASP A 26 -7.574 1.898 26.167 1.00 22.24 C ATOM 396 OD1 ASP A 26 -8.361 1.991 27.132 1.00 2.43 O ATOM 397 OD2 ASP A 26 -7.647 2.620 25.151 1.00 72.32 O ATOM 0 H ASP A 26 -5.536 1.052 28.736 1.00 21.52 H new ATOM 0 HA ASP A 26 -7.682 -0.487 27.399 1.00 74.54 H new ATOM 0 HB2 ASP A 26 -5.510 1.354 26.325 1.00 13.11 H new ATOM 0 HB3 ASP A 26 -6.455 0.293 25.300 1.00 13.11 H new ATOM 402 N PHE A 27 -4.413 -1.028 27.357 1.00 64.44 N ATOM 403 CA PHE A 27 -3.402 -2.072 27.229 1.00 2.35 C ATOM 404 C PHE A 27 -3.595 -3.149 28.293 1.00 2.52 C ATOM 405 O PHE A 27 -3.441 -4.340 28.023 1.00 55.23 O ATOM 406 CB PHE A 27 -2.000 -1.470 27.345 1.00 2.14 C ATOM 407 CG PHE A 27 -1.230 -1.968 28.535 1.00 31.20 C ATOM 408 CD1 PHE A 27 -0.437 -3.101 28.439 1.00 53.40 C ATOM 409 CD2 PHE A 27 -1.299 -1.304 29.749 1.00 23.11 C ATOM 410 CE1 PHE A 27 0.271 -3.562 29.532 1.00 3.44 C ATOM 411 CE2 PHE A 27 -0.592 -1.760 30.846 1.00 61.21 C ATOM 412 CZ PHE A 27 0.195 -2.890 30.737 1.00 51.11 C ATOM 0 H PHE A 27 -4.037 -0.096 27.531 1.00 64.44 H new ATOM 0 HA PHE A 27 -3.512 -2.532 26.247 1.00 2.35 H new ATOM 0 HB2 PHE A 27 -1.439 -1.698 26.438 1.00 2.14 H new ATOM 0 HB3 PHE A 27 -2.083 -0.385 27.404 1.00 2.14 H new ATOM 0 HD1 PHE A 27 -0.372 -3.629 27.499 1.00 53.40 H new ATOM 0 HD2 PHE A 27 -1.912 -0.420 29.839 1.00 23.11 H new ATOM 0 HE1 PHE A 27 0.884 -4.447 29.445 1.00 3.44 H new ATOM 0 HE2 PHE A 27 -0.655 -1.234 31.787 1.00 61.21 H new ATOM 0 HZ PHE A 27 0.750 -3.248 31.592 1.00 51.11 H new ATOM 422 N LYS A 28 -3.932 -2.721 29.505 1.00 2.32 N ATOM 423 CA LYS A 28 -4.147 -3.646 30.611 1.00 11.14 C ATOM 424 C LYS A 28 -5.341 -4.555 30.336 1.00 1.42 C ATOM 425 O LYS A 28 -5.285 -5.760 30.578 1.00 35.53 O ATOM 426 CB LYS A 28 -4.370 -2.873 31.913 1.00 30.34 C ATOM 427 CG LYS A 28 -4.615 -3.767 33.117 1.00 65.32 C ATOM 428 CD LYS A 28 -4.874 -2.953 34.373 1.00 53.30 C ATOM 429 CE LYS A 28 -5.707 -3.731 35.380 1.00 75.14 C ATOM 430 NZ LYS A 28 -6.575 -2.835 36.193 1.00 52.33 N ATOM 0 H LYS A 28 -4.062 -1.738 29.746 1.00 2.32 H new ATOM 0 HA LYS A 28 -3.256 -4.266 30.712 1.00 11.14 H new ATOM 0 HB2 LYS A 28 -3.500 -2.246 32.107 1.00 30.34 H new ATOM 0 HB3 LYS A 28 -5.222 -2.205 31.788 1.00 30.34 H new ATOM 0 HG2 LYS A 28 -5.468 -4.417 32.921 1.00 65.32 H new ATOM 0 HG3 LYS A 28 -3.751 -4.413 33.273 1.00 65.32 H new ATOM 0 HD2 LYS A 28 -3.924 -2.670 34.827 1.00 53.30 H new ATOM 0 HD3 LYS A 28 -5.389 -2.029 34.109 1.00 53.30 H new ATOM 0 HE2 LYS A 28 -6.327 -4.458 34.854 1.00 75.14 H new ATOM 0 HE3 LYS A 28 -5.047 -4.293 36.040 1.00 75.14 H new ATOM 0 HZ1 LYS A 28 -7.126 -3.404 36.867 1.00 52.33 H new ATOM 0 HZ2 LYS A 28 -5.983 -2.158 36.715 1.00 52.33 H new ATOM 0 HZ3 LYS A 28 -7.223 -2.317 35.566 1.00 52.33 H new ATOM 444 N LYS A 29 -6.420 -3.969 29.828 1.00 43.23 N ATOM 445 CA LYS A 29 -7.627 -4.725 29.516 1.00 23.24 C ATOM 446 C LYS A 29 -7.311 -5.897 28.592 1.00 54.54 C ATOM 447 O LYS A 29 -7.885 -6.978 28.725 1.00 34.23 O ATOM 448 CB LYS A 29 -8.670 -3.815 28.866 1.00 54.52 C ATOM 449 CG LYS A 29 -9.882 -3.554 29.744 1.00 40.41 C ATOM 450 CD LYS A 29 -9.512 -2.752 30.981 1.00 51.14 C ATOM 451 CE LYS A 29 -10.745 -2.182 31.665 1.00 52.24 C ATOM 452 NZ LYS A 29 -11.310 -1.025 30.916 1.00 3.21 N ATOM 0 H LYS A 29 -6.483 -2.972 29.623 1.00 43.23 H new ATOM 0 HA LYS A 29 -8.030 -5.119 30.449 1.00 23.24 H new ATOM 0 HB2 LYS A 29 -8.203 -2.863 28.614 1.00 54.52 H new ATOM 0 HB3 LYS A 29 -9.000 -4.266 27.930 1.00 54.52 H new ATOM 0 HG2 LYS A 29 -10.637 -3.015 29.172 1.00 40.41 H new ATOM 0 HG3 LYS A 29 -10.326 -4.503 30.044 1.00 40.41 H new ATOM 0 HD2 LYS A 29 -8.969 -3.388 31.679 1.00 51.14 H new ATOM 0 HD3 LYS A 29 -8.841 -1.940 30.702 1.00 51.14 H new ATOM 0 HE2 LYS A 29 -11.502 -2.961 31.756 1.00 52.24 H new ATOM 0 HE3 LYS A 29 -10.487 -1.869 32.677 1.00 52.24 H new ATOM 0 HZ1 LYS A 29 -12.348 -1.088 30.911 1.00 3.21 H new ATOM 0 HZ2 LYS A 29 -11.019 -0.139 31.375 1.00 3.21 H new ATOM 0 HZ3 LYS A 29 -10.958 -1.040 29.937 1.00 3.21 H new ATOM 466 N LEU A 30 -6.396 -5.675 27.655 1.00 24.12 N ATOM 467 CA LEU A 30 -6.003 -6.713 26.709 1.00 64.33 C ATOM 468 C LEU A 30 -5.076 -7.729 27.369 1.00 61.33 C ATOM 469 O LEU A 30 -5.343 -8.931 27.354 1.00 32.04 O ATOM 470 CB LEU A 30 -5.312 -6.089 25.495 1.00 70.32 C ATOM 471 CG LEU A 30 -5.591 -4.605 25.253 1.00 25.34 C ATOM 472 CD1 LEU A 30 -4.850 -4.117 24.018 1.00 22.21 C ATOM 473 CD2 LEU A 30 -7.086 -4.359 25.113 1.00 64.21 C ATOM 0 H LEU A 30 -5.912 -4.786 27.530 1.00 24.12 H new ATOM 0 HA LEU A 30 -6.904 -7.231 26.381 1.00 64.33 H new ATOM 0 HB2 LEU A 30 -4.236 -6.222 25.606 1.00 70.32 H new ATOM 0 HB3 LEU A 30 -5.612 -6.644 24.606 1.00 70.32 H new ATOM 0 HG LEU A 30 -5.230 -4.042 26.114 1.00 25.34 H new ATOM 0 HD11 LEU A 30 -5.061 -3.059 23.862 1.00 22.21 H new ATOM 0 HD12 LEU A 30 -3.778 -4.257 24.158 1.00 22.21 H new ATOM 0 HD13 LEU A 30 -5.179 -4.685 23.148 1.00 22.21 H new ATOM 0 HD21 LEU A 30 -7.266 -3.298 24.941 1.00 64.21 H new ATOM 0 HD22 LEU A 30 -7.472 -4.933 24.271 1.00 64.21 H new ATOM 0 HD23 LEU A 30 -7.593 -4.670 26.027 1.00 64.21 H new ATOM 485 N LYS A 31 -3.986 -7.239 27.949 1.00 41.41 N ATOM 486 CA LYS A 31 -3.020 -8.102 28.618 1.00 32.02 C ATOM 487 C LYS A 31 -3.691 -8.917 29.719 1.00 23.33 C ATOM 488 O LYS A 31 -3.230 -10.004 30.069 1.00 4.02 O ATOM 489 CB LYS A 31 -1.882 -7.267 29.209 1.00 43.05 C ATOM 490 CG LYS A 31 -1.084 -6.502 28.166 1.00 33.51 C ATOM 491 CD LYS A 31 -0.418 -7.442 27.174 1.00 13.54 C ATOM 492 CE LYS A 31 0.306 -6.673 26.080 1.00 63.43 C ATOM 493 NZ LYS A 31 1.437 -5.870 26.621 1.00 12.53 N ATOM 0 H LYS A 31 -3.749 -6.247 27.969 1.00 41.41 H new ATOM 0 HA LYS A 31 -2.611 -8.790 27.878 1.00 32.02 H new ATOM 0 HB2 LYS A 31 -2.297 -6.560 29.928 1.00 43.05 H new ATOM 0 HB3 LYS A 31 -1.209 -7.924 29.760 1.00 43.05 H new ATOM 0 HG2 LYS A 31 -1.743 -5.816 27.633 1.00 33.51 H new ATOM 0 HG3 LYS A 31 -0.325 -5.895 28.660 1.00 33.51 H new ATOM 0 HD2 LYS A 31 0.289 -8.085 27.698 1.00 13.54 H new ATOM 0 HD3 LYS A 31 -1.169 -8.093 26.727 1.00 13.54 H new ATOM 0 HE2 LYS A 31 0.682 -7.372 25.333 1.00 63.43 H new ATOM 0 HE3 LYS A 31 -0.398 -6.013 25.573 1.00 63.43 H new ATOM 0 HZ1 LYS A 31 2.201 -5.827 25.916 1.00 12.53 H new ATOM 0 HZ2 LYS A 31 1.108 -4.907 26.834 1.00 12.53 H new ATOM 0 HZ3 LYS A 31 1.794 -6.315 27.491 1.00 12.53 H new ATOM 507 N PHE A 32 -4.782 -8.387 30.261 1.00 40.30 N ATOM 508 CA PHE A 32 -5.516 -9.066 31.322 1.00 13.32 C ATOM 509 C PHE A 32 -6.211 -10.315 30.789 1.00 34.21 C ATOM 510 O PHE A 32 -6.152 -11.381 31.402 1.00 31.23 O ATOM 511 CB PHE A 32 -6.547 -8.121 31.943 1.00 10.15 C ATOM 512 CG PHE A 32 -7.121 -8.626 33.236 1.00 30.22 C ATOM 513 CD1 PHE A 32 -7.983 -9.711 33.250 1.00 51.23 C ATOM 514 CD2 PHE A 32 -6.799 -8.016 34.438 1.00 62.21 C ATOM 515 CE1 PHE A 32 -8.513 -10.179 34.438 1.00 42.34 C ATOM 516 CE2 PHE A 32 -7.325 -8.480 35.629 1.00 50.12 C ATOM 517 CZ PHE A 32 -8.184 -9.562 35.629 1.00 50.44 C ATOM 0 H PHE A 32 -5.178 -7.489 29.983 1.00 40.30 H new ATOM 0 HA PHE A 32 -4.802 -9.368 32.088 1.00 13.32 H new ATOM 0 HB2 PHE A 32 -6.081 -7.151 32.116 1.00 10.15 H new ATOM 0 HB3 PHE A 32 -7.358 -7.963 31.232 1.00 10.15 H new ATOM 0 HD1 PHE A 32 -8.244 -10.197 32.321 1.00 51.23 H new ATOM 0 HD2 PHE A 32 -6.130 -7.169 34.444 1.00 62.21 H new ATOM 0 HE1 PHE A 32 -9.183 -11.026 34.435 1.00 42.34 H new ATOM 0 HE2 PHE A 32 -7.065 -7.997 36.559 1.00 50.12 H new ATOM 0 HZ PHE A 32 -8.597 -9.925 36.559 1.00 50.44 H new ATOM 527 N TYR A 33 -6.870 -10.175 29.644 1.00 30.21 N ATOM 528 CA TYR A 33 -7.579 -11.291 29.029 1.00 14.21 C ATOM 529 C TYR A 33 -6.706 -11.985 27.989 1.00 44.23 C ATOM 530 O TYR A 33 -6.472 -13.192 28.062 1.00 2.13 O ATOM 531 CB TYR A 33 -8.875 -10.802 28.379 1.00 32.53 C ATOM 532 CG TYR A 33 -10.119 -11.442 28.954 1.00 10.41 C ATOM 533 CD1 TYR A 33 -10.311 -11.523 30.328 1.00 53.43 C ATOM 534 CD2 TYR A 33 -11.103 -11.964 28.123 1.00 2.31 C ATOM 535 CE1 TYR A 33 -11.446 -12.106 30.857 1.00 62.40 C ATOM 536 CE2 TYR A 33 -12.241 -12.548 28.644 1.00 73.04 C ATOM 537 CZ TYR A 33 -12.408 -12.617 30.011 1.00 20.40 C ATOM 538 OH TYR A 33 -13.540 -13.198 30.534 1.00 32.54 O ATOM 0 H TYR A 33 -6.928 -9.300 29.123 1.00 30.21 H new ATOM 0 HA TYR A 33 -7.821 -12.010 29.811 1.00 14.21 H new ATOM 0 HB2 TYR A 33 -8.945 -9.721 28.497 1.00 32.53 H new ATOM 0 HB3 TYR A 33 -8.834 -11.004 27.309 1.00 32.53 H new ATOM 0 HD1 TYR A 33 -9.560 -11.123 30.993 1.00 53.43 H new ATOM 0 HD2 TYR A 33 -10.976 -11.912 27.052 1.00 2.31 H new ATOM 0 HE1 TYR A 33 -11.579 -12.161 31.927 1.00 62.40 H new ATOM 0 HE2 TYR A 33 -12.996 -12.949 27.984 1.00 73.04 H new ATOM 0 HH TYR A 33 -14.117 -13.506 29.804 1.00 32.54 H new ATOM 548 N LEU A 34 -6.225 -11.213 27.020 1.00 71.20 N ATOM 549 CA LEU A 34 -5.376 -11.752 25.963 1.00 3.22 C ATOM 550 C LEU A 34 -4.190 -12.510 26.551 1.00 3.20 C ATOM 551 O LEU A 34 -4.004 -13.696 26.281 1.00 25.54 O ATOM 552 CB LEU A 34 -4.877 -10.624 25.058 1.00 1.12 C ATOM 553 CG LEU A 34 -5.855 -10.141 23.986 1.00 24.51 C ATOM 554 CD1 LEU A 34 -6.420 -11.321 23.210 1.00 42.43 C ATOM 555 CD2 LEU A 34 -6.976 -9.327 24.615 1.00 71.44 C ATOM 0 H LEU A 34 -6.408 -10.212 26.945 1.00 71.20 H new ATOM 0 HA LEU A 34 -5.971 -12.448 25.372 1.00 3.22 H new ATOM 0 HB2 LEU A 34 -4.608 -9.774 25.685 1.00 1.12 H new ATOM 0 HB3 LEU A 34 -3.964 -10.958 24.565 1.00 1.12 H new ATOM 0 HG LEU A 34 -5.315 -9.500 23.290 1.00 24.51 H new ATOM 0 HD11 LEU A 34 -7.114 -10.959 22.451 1.00 42.43 H new ATOM 0 HD12 LEU A 34 -5.606 -11.863 22.728 1.00 42.43 H new ATOM 0 HD13 LEU A 34 -6.945 -11.988 23.894 1.00 42.43 H new ATOM 0 HD21 LEU A 34 -7.662 -8.991 23.838 1.00 71.44 H new ATOM 0 HD22 LEU A 34 -7.515 -9.945 25.333 1.00 71.44 H new ATOM 0 HD23 LEU A 34 -6.555 -8.461 25.125 1.00 71.44 H new ATOM 567 N ARG A 35 -3.392 -11.817 27.357 1.00 42.21 N ATOM 568 CA ARG A 35 -2.224 -12.425 27.984 1.00 55.21 C ATOM 569 C ARG A 35 -2.631 -13.606 28.860 1.00 13.12 C ATOM 570 O ARG A 35 -1.942 -14.625 28.905 1.00 71.14 O ATOM 571 CB ARG A 35 -1.472 -11.390 28.822 1.00 40.41 C ATOM 572 CG ARG A 35 0.037 -11.449 28.652 1.00 23.11 C ATOM 573 CD ARG A 35 0.750 -10.611 29.702 1.00 35.24 C ATOM 574 NE ARG A 35 0.352 -10.980 31.058 1.00 2.05 N ATOM 575 CZ ARG A 35 0.245 -10.109 32.055 1.00 12.34 C ATOM 576 NH1 ARG A 35 0.503 -8.825 31.849 1.00 43.22 N ATOM 577 NH2 ARG A 35 -0.122 -10.521 33.262 1.00 75.11 N ATOM 0 H ARG A 35 -3.533 -10.834 27.591 1.00 42.21 H new ATOM 0 HA ARG A 35 -1.567 -12.790 27.194 1.00 55.21 H new ATOM 0 HB2 ARG A 35 -1.821 -10.393 28.552 1.00 40.41 H new ATOM 0 HB3 ARG A 35 -1.717 -11.539 29.874 1.00 40.41 H new ATOM 0 HG2 ARG A 35 0.372 -12.484 28.722 1.00 23.11 H new ATOM 0 HG3 ARG A 35 0.306 -11.094 27.657 1.00 23.11 H new ATOM 0 HD2 ARG A 35 1.828 -10.734 29.594 1.00 35.24 H new ATOM 0 HD3 ARG A 35 0.531 -9.556 29.534 1.00 35.24 H new ATOM 0 HE ARG A 35 0.145 -11.960 31.250 1.00 2.05 H new ATOM 0 HH11 ARG A 35 0.785 -8.504 30.923 1.00 43.22 H new ATOM 0 HH12 ARG A 35 0.420 -8.159 32.617 1.00 43.22 H new ATOM 0 HH21 ARG A 35 -0.322 -11.508 33.425 1.00 75.11 H new ATOM 0 HH22 ARG A 35 -0.204 -9.851 34.027 1.00 75.11 H new ATOM 591 N ASP A 36 -3.754 -13.461 29.556 1.00 42.25 N ATOM 592 CA ASP A 36 -4.253 -14.515 30.430 1.00 30.43 C ATOM 593 C ASP A 36 -4.286 -15.855 29.702 1.00 74.31 C ATOM 594 O ASP A 36 -3.769 -16.855 30.198 1.00 63.40 O ATOM 595 CB ASP A 36 -5.651 -14.164 30.942 1.00 41.11 C ATOM 596 CG ASP A 36 -5.661 -13.842 32.423 1.00 33.24 C ATOM 597 OD1 ASP A 36 -4.622 -13.378 32.937 1.00 22.24 O ATOM 598 OD2 ASP A 36 -6.709 -14.053 33.069 1.00 72.44 O ATOM 0 H ASP A 36 -4.335 -12.623 29.531 1.00 42.25 H new ATOM 0 HA ASP A 36 -3.575 -14.600 31.279 1.00 30.43 H new ATOM 0 HB2 ASP A 36 -6.035 -13.309 30.385 1.00 41.11 H new ATOM 0 HB3 ASP A 36 -6.325 -14.999 30.750 1.00 41.11 H new ATOM 603 N MET A 37 -4.900 -15.867 28.523 1.00 61.00 N ATOM 604 CA MET A 37 -5.001 -17.084 27.726 1.00 25.44 C ATOM 605 C MET A 37 -3.788 -17.239 26.814 1.00 23.14 C ATOM 606 O MET A 37 -3.000 -18.174 26.965 1.00 44.45 O ATOM 607 CB MET A 37 -6.282 -17.069 26.891 1.00 14.55 C ATOM 608 CG MET A 37 -7.540 -17.327 27.704 1.00 34.45 C ATOM 609 SD MET A 37 -9.023 -17.415 26.682 1.00 64.35 S ATOM 610 CE MET A 37 -9.218 -15.696 26.220 1.00 44.24 C ATOM 0 H MET A 37 -5.335 -15.048 28.099 1.00 61.00 H new ATOM 0 HA MET A 37 -5.032 -17.933 28.409 1.00 25.44 H new ATOM 0 HB2 MET A 37 -6.372 -16.102 26.395 1.00 14.55 H new ATOM 0 HB3 MET A 37 -6.204 -17.823 26.108 1.00 14.55 H new ATOM 0 HG2 MET A 37 -7.427 -18.261 28.254 1.00 34.45 H new ATOM 0 HG3 MET A 37 -7.659 -16.534 28.443 1.00 34.45 H new ATOM 0 HE1 MET A 37 -10.192 -15.553 25.753 1.00 44.24 H new ATOM 0 HE2 MET A 37 -9.147 -15.070 27.109 1.00 44.24 H new ATOM 0 HE3 MET A 37 -8.434 -15.417 25.516 1.00 44.24 H new ATOM 620 N THR A 38 -3.643 -16.317 25.868 1.00 71.15 N ATOM 621 CA THR A 38 -2.527 -16.352 24.931 1.00 74.25 C ATOM 622 C THR A 38 -1.214 -16.637 25.650 1.00 41.31 C ATOM 623 O THR A 38 -0.372 -17.386 25.153 1.00 4.32 O ATOM 624 CB THR A 38 -2.400 -15.025 24.159 1.00 61.22 C ATOM 625 OG1 THR A 38 -1.901 -14.000 25.026 1.00 64.55 O ATOM 626 CG2 THR A 38 -3.744 -14.601 23.586 1.00 62.34 C ATOM 0 H THR A 38 -4.285 -15.536 25.730 1.00 71.15 H new ATOM 0 HA THR A 38 -2.732 -17.156 24.225 1.00 74.25 H new ATOM 0 HB THR A 38 -1.703 -15.175 23.335 1.00 61.22 H new ATOM 0 HG1 THR A 38 -2.343 -14.065 25.898 1.00 64.55 H new ATOM 0 HG21 THR A 38 -3.629 -13.662 23.045 1.00 62.34 H new ATOM 0 HG22 THR A 38 -4.108 -15.370 22.904 1.00 62.34 H new ATOM 0 HG23 THR A 38 -4.460 -14.467 24.397 1.00 62.34 H new ATOM 634 N LEU A 39 -1.045 -16.036 26.822 1.00 1.45 N ATOM 635 CA LEU A 39 0.167 -16.225 27.612 1.00 62.33 C ATOM 636 C LEU A 39 -0.151 -16.894 28.946 1.00 45.54 C ATOM 637 O LEU A 39 -1.314 -17.122 29.275 1.00 13.12 O ATOM 638 CB LEU A 39 0.858 -14.882 27.853 1.00 13.21 C ATOM 639 CG LEU A 39 1.760 -14.379 26.726 1.00 50.23 C ATOM 640 CD1 LEU A 39 0.933 -13.714 25.636 1.00 32.22 C ATOM 641 CD2 LEU A 39 2.804 -13.414 27.268 1.00 22.15 C ATOM 0 H LEU A 39 -1.732 -15.413 27.247 1.00 1.45 H new ATOM 0 HA LEU A 39 0.838 -16.876 27.051 1.00 62.33 H new ATOM 0 HB2 LEU A 39 0.091 -14.130 28.040 1.00 13.21 H new ATOM 0 HB3 LEU A 39 1.455 -14.961 28.761 1.00 13.21 H new ATOM 0 HG LEU A 39 2.276 -15.235 26.291 1.00 50.23 H new ATOM 0 HD11 LEU A 39 1.592 -13.362 24.842 1.00 32.22 H new ATOM 0 HD12 LEU A 39 0.224 -14.434 25.227 1.00 32.22 H new ATOM 0 HD13 LEU A 39 0.389 -12.868 26.057 1.00 32.22 H new ATOM 0 HD21 LEU A 39 3.437 -13.066 26.451 1.00 22.15 H new ATOM 0 HD22 LEU A 39 2.306 -12.561 27.730 1.00 22.15 H new ATOM 0 HD23 LEU A 39 3.418 -13.922 28.012 1.00 22.15 H new ATOM 784 N GLY A 49 -1.091 1.972 36.873 1.00 72.45 N ATOM 785 CA GLY A 49 0.184 2.663 36.909 1.00 40.41 C ATOM 786 C GLY A 49 1.276 1.905 36.181 1.00 21.11 C ATOM 787 O GLY A 49 2.351 2.446 35.925 1.00 0.21 O ATOM 0 HA2 GLY A 49 0.071 3.650 36.461 1.00 40.41 H new ATOM 0 HA3 GLY A 49 0.482 2.816 37.946 1.00 40.41 H new ATOM 791 N GLU A 50 1.001 0.647 35.849 1.00 53.53 N ATOM 792 CA GLU A 50 1.970 -0.187 35.148 1.00 2.34 C ATOM 793 C GLU A 50 2.353 0.433 33.807 1.00 31.14 C ATOM 794 O GLU A 50 3.431 0.168 33.273 1.00 12.33 O ATOM 795 CB GLU A 50 1.404 -1.592 34.931 1.00 44.44 C ATOM 796 CG GLU A 50 2.453 -2.689 35.007 1.00 11.45 C ATOM 797 CD GLU A 50 1.847 -4.059 35.242 1.00 4.25 C ATOM 798 OE1 GLU A 50 0.725 -4.304 34.753 1.00 62.11 O ATOM 799 OE2 GLU A 50 2.497 -4.886 35.916 1.00 32.12 O ATOM 0 H GLU A 50 0.116 0.184 36.054 1.00 53.53 H new ATOM 0 HA GLU A 50 2.866 -0.256 35.765 1.00 2.34 H new ATOM 0 HB2 GLU A 50 0.635 -1.784 35.679 1.00 44.44 H new ATOM 0 HB3 GLU A 50 0.918 -1.632 33.956 1.00 44.44 H new ATOM 0 HG2 GLU A 50 3.026 -2.703 34.080 1.00 11.45 H new ATOM 0 HG3 GLU A 50 3.153 -2.462 35.811 1.00 11.45 H new ATOM 806 N LEU A 51 1.462 1.258 33.268 1.00 5.33 N ATOM 807 CA LEU A 51 1.705 1.916 31.989 1.00 3.21 C ATOM 808 C LEU A 51 1.865 3.422 32.173 1.00 73.02 C ATOM 809 O LEU A 51 2.758 4.036 31.591 1.00 3.11 O ATOM 810 CB LEU A 51 0.558 1.628 31.019 1.00 22.21 C ATOM 811 CG LEU A 51 0.633 2.331 29.664 1.00 55.54 C ATOM 812 CD1 LEU A 51 -0.069 1.508 28.595 1.00 33.42 C ATOM 813 CD2 LEU A 51 0.024 3.724 29.751 1.00 23.43 C ATOM 0 H LEU A 51 0.565 1.487 33.697 1.00 5.33 H new ATOM 0 HA LEU A 51 2.632 1.519 31.574 1.00 3.21 H new ATOM 0 HB2 LEU A 51 0.516 0.553 30.846 1.00 22.21 H new ATOM 0 HB3 LEU A 51 -0.378 1.910 31.501 1.00 22.21 H new ATOM 0 HG LEU A 51 1.682 2.431 29.387 1.00 55.54 H new ATOM 0 HD11 LEU A 51 -0.005 2.025 27.637 1.00 33.42 H new ATOM 0 HD12 LEU A 51 0.410 0.532 28.514 1.00 33.42 H new ATOM 0 HD13 LEU A 51 -1.116 1.376 28.867 1.00 33.42 H new ATOM 0 HD21 LEU A 51 0.086 4.210 28.777 1.00 23.43 H new ATOM 0 HD22 LEU A 51 -1.021 3.646 30.052 1.00 23.43 H new ATOM 0 HD23 LEU A 51 0.570 4.315 30.487 1.00 23.43 H new ATOM 825 N GLU A 52 0.993 4.009 32.987 1.00 43.30 N ATOM 826 CA GLU A 52 1.039 5.443 33.248 1.00 41.21 C ATOM 827 C GLU A 52 2.221 5.795 34.147 1.00 50.01 C ATOM 828 O GLU A 52 3.050 6.636 33.800 1.00 32.54 O ATOM 829 CB GLU A 52 -0.266 5.908 33.898 1.00 60.15 C ATOM 830 CG GLU A 52 -0.250 7.368 34.318 1.00 34.10 C ATOM 831 CD GLU A 52 -0.764 7.574 35.730 1.00 63.21 C ATOM 832 OE1 GLU A 52 -1.704 6.855 36.129 1.00 12.52 O ATOM 833 OE2 GLU A 52 -0.226 8.453 36.435 1.00 21.21 O ATOM 0 H GLU A 52 0.247 3.514 33.476 1.00 43.30 H new ATOM 0 HA GLU A 52 1.164 5.956 32.294 1.00 41.21 H new ATOM 0 HB2 GLU A 52 -1.087 5.749 33.199 1.00 60.15 H new ATOM 0 HB3 GLU A 52 -0.467 5.289 34.773 1.00 60.15 H new ATOM 0 HG2 GLU A 52 0.768 7.752 34.246 1.00 34.10 H new ATOM 0 HG3 GLU A 52 -0.859 7.948 33.625 1.00 34.10 H new ATOM 840 N GLY A 53 2.291 5.145 35.305 1.00 55.12 N ATOM 841 CA GLY A 53 3.373 5.403 36.236 1.00 20.23 C ATOM 842 C GLY A 53 4.707 4.888 35.732 1.00 53.50 C ATOM 843 O GLY A 53 5.662 5.653 35.589 1.00 12.21 O ATOM 0 H GLY A 53 1.617 4.444 35.614 1.00 55.12 H new ATOM 0 HA2 GLY A 53 3.446 6.476 36.416 1.00 20.23 H new ATOM 0 HA3 GLY A 53 3.144 4.934 37.193 1.00 20.23 H new ATOM 847 N LEU A 54 4.774 3.589 35.463 1.00 44.41 N ATOM 848 CA LEU A 54 6.002 2.973 34.973 1.00 63.51 C ATOM 849 C LEU A 54 6.291 3.399 33.537 1.00 11.53 C ATOM 850 O LEU A 54 5.650 4.308 33.009 1.00 54.30 O ATOM 851 CB LEU A 54 5.898 1.449 35.053 1.00 73.54 C ATOM 852 CG LEU A 54 5.345 0.881 36.361 1.00 42.14 C ATOM 853 CD1 LEU A 54 5.409 -0.638 36.352 1.00 20.35 C ATOM 854 CD2 LEU A 54 6.110 1.442 37.551 1.00 51.55 C ATOM 0 H LEU A 54 3.993 2.942 35.576 1.00 44.41 H new ATOM 0 HA LEU A 54 6.824 3.309 35.604 1.00 63.51 H new ATOM 0 HB2 LEU A 54 5.266 1.105 34.235 1.00 73.54 H new ATOM 0 HB3 LEU A 54 6.890 1.028 34.888 1.00 73.54 H new ATOM 0 HG LEU A 54 4.301 1.180 36.452 1.00 42.14 H new ATOM 0 HD11 LEU A 54 5.011 -1.024 37.290 1.00 20.35 H new ATOM 0 HD12 LEU A 54 4.817 -1.022 35.521 1.00 20.35 H new ATOM 0 HD13 LEU A 54 6.445 -0.958 36.238 1.00 20.35 H new ATOM 0 HD21 LEU A 54 5.703 1.027 38.473 1.00 51.55 H new ATOM 0 HD22 LEU A 54 7.163 1.174 37.466 1.00 51.55 H new ATOM 0 HD23 LEU A 54 6.012 2.527 37.567 1.00 51.55 H new ATOM 866 N ILE A 55 7.258 2.737 32.911 1.00 34.34 N ATOM 867 CA ILE A 55 7.628 3.046 31.536 1.00 61.30 C ATOM 868 C ILE A 55 7.468 1.825 30.636 1.00 22.02 C ATOM 869 O ILE A 55 7.439 0.683 31.096 1.00 12.32 O ATOM 870 CB ILE A 55 9.080 3.551 31.444 1.00 62.40 C ATOM 871 CG1 ILE A 55 10.027 2.577 32.149 1.00 43.14 C ATOM 872 CG2 ILE A 55 9.196 4.942 32.048 1.00 4.01 C ATOM 873 CD1 ILE A 55 11.443 3.095 32.272 1.00 23.53 C ATOM 0 H ILE A 55 7.799 1.983 33.334 1.00 34.34 H new ATOM 0 HA ILE A 55 6.956 3.834 31.198 1.00 61.30 H new ATOM 0 HB ILE A 55 9.364 3.608 30.393 1.00 62.40 H new ATOM 0 HG12 ILE A 55 9.639 2.362 33.145 1.00 43.14 H new ATOM 0 HG13 ILE A 55 10.040 1.634 31.602 1.00 43.14 H new ATOM 0 HG21 ILE A 55 10.228 5.285 31.976 1.00 4.01 H new ATOM 0 HG22 ILE A 55 8.546 5.629 31.506 1.00 4.01 H new ATOM 0 HG23 ILE A 55 8.897 4.910 33.096 1.00 4.01 H new ATOM 0 HD11 ILE A 55 12.059 2.354 32.781 1.00 23.53 H new ATOM 0 HD12 ILE A 55 11.849 3.283 31.278 1.00 23.53 H new ATOM 0 HD13 ILE A 55 11.443 4.022 32.845 1.00 23.53 H new ATOM 885 N PRO A 56 7.364 2.069 29.321 1.00 21.33 N ATOM 886 CA PRO A 56 7.208 1.002 28.328 1.00 30.34 C ATOM 887 C PRO A 56 8.473 0.165 28.173 1.00 43.14 C ATOM 888 O PRO A 56 8.410 -1.059 28.058 1.00 22.03 O ATOM 889 CB PRO A 56 6.907 1.762 27.035 1.00 42.45 C ATOM 890 CG PRO A 56 7.518 3.106 27.234 1.00 4.24 C ATOM 891 CD PRO A 56 7.391 3.405 28.703 1.00 62.33 C ATOM 0 HA PRO A 56 6.431 0.292 28.611 1.00 30.34 H new ATOM 0 HB2 PRO A 56 7.336 1.256 26.170 1.00 42.45 H new ATOM 0 HB3 PRO A 56 5.834 1.837 26.861 1.00 42.45 H new ATOM 0 HG2 PRO A 56 8.563 3.109 26.924 1.00 4.24 H new ATOM 0 HG3 PRO A 56 7.006 3.860 26.636 1.00 4.24 H new ATOM 0 HD2 PRO A 56 8.230 3.999 29.066 1.00 62.33 H new ATOM 0 HD3 PRO A 56 6.483 3.968 28.922 1.00 62.33 H new ATOM 899 N VAL A 57 9.622 0.833 28.169 1.00 4.43 N ATOM 900 CA VAL A 57 10.903 0.151 28.029 1.00 3.02 C ATOM 901 C VAL A 57 11.148 -0.803 29.193 1.00 51.10 C ATOM 902 O VAL A 57 11.966 -1.718 29.098 1.00 40.15 O ATOM 903 CB VAL A 57 12.068 1.155 27.949 1.00 4.21 C ATOM 904 CG1 VAL A 57 13.396 0.424 27.816 1.00 55.02 C ATOM 905 CG2 VAL A 57 11.862 2.118 26.790 1.00 43.51 C ATOM 0 H VAL A 57 9.692 1.846 28.261 1.00 4.43 H new ATOM 0 HA VAL A 57 10.859 -0.417 27.100 1.00 3.02 H new ATOM 0 HB VAL A 57 12.090 1.733 28.873 1.00 4.21 H new ATOM 0 HG11 VAL A 57 14.207 1.150 27.761 1.00 55.02 H new ATOM 0 HG12 VAL A 57 13.545 -0.221 28.682 1.00 55.02 H new ATOM 0 HG13 VAL A 57 13.389 -0.181 26.910 1.00 55.02 H new ATOM 0 HG21 VAL A 57 12.694 2.820 26.748 1.00 43.51 H new ATOM 0 HG22 VAL A 57 11.812 1.558 25.856 1.00 43.51 H new ATOM 0 HG23 VAL A 57 10.931 2.667 26.934 1.00 43.51 H new ATOM 915 N ASP A 58 10.433 -0.583 30.291 1.00 63.10 N ATOM 916 CA ASP A 58 10.571 -1.424 31.474 1.00 22.32 C ATOM 917 C ASP A 58 9.569 -2.574 31.443 1.00 30.03 C ATOM 918 O ASP A 58 9.950 -3.745 31.468 1.00 23.05 O ATOM 919 CB ASP A 58 10.374 -0.593 32.743 1.00 73.21 C ATOM 920 CG ASP A 58 10.680 -1.378 34.003 1.00 62.51 C ATOM 921 OD1 ASP A 58 11.173 -2.520 33.886 1.00 64.12 O ATOM 922 OD2 ASP A 58 10.428 -0.851 35.106 1.00 33.22 O ATOM 0 H ASP A 58 9.752 0.171 30.386 1.00 63.10 H new ATOM 0 HA ASP A 58 11.577 -1.843 31.476 1.00 22.32 H new ATOM 0 HB2 ASP A 58 11.017 0.286 32.701 1.00 73.21 H new ATOM 0 HB3 ASP A 58 9.345 -0.234 32.783 1.00 73.21 H new ATOM 927 N LEU A 59 8.286 -2.233 31.390 1.00 43.44 N ATOM 928 CA LEU A 59 7.228 -3.236 31.356 1.00 22.34 C ATOM 929 C LEU A 59 7.380 -4.147 30.142 1.00 34.24 C ATOM 930 O LEU A 59 7.050 -5.332 30.198 1.00 41.42 O ATOM 931 CB LEU A 59 5.857 -2.559 31.332 1.00 33.34 C ATOM 932 CG LEU A 59 4.999 -2.823 30.094 1.00 24.40 C ATOM 933 CD1 LEU A 59 3.542 -2.490 30.373 1.00 70.22 C ATOM 934 CD2 LEU A 59 5.514 -2.021 28.908 1.00 64.31 C ATOM 0 H LEU A 59 7.953 -1.269 31.370 1.00 43.44 H new ATOM 0 HA LEU A 59 7.310 -3.845 32.256 1.00 22.34 H new ATOM 0 HB2 LEU A 59 5.299 -2.882 32.211 1.00 33.34 H new ATOM 0 HB3 LEU A 59 6.004 -1.483 31.425 1.00 33.34 H new ATOM 0 HG LEU A 59 5.067 -3.883 29.848 1.00 24.40 H new ATOM 0 HD11 LEU A 59 2.947 -2.684 29.481 1.00 70.22 H new ATOM 0 HD12 LEU A 59 3.178 -3.109 31.193 1.00 70.22 H new ATOM 0 HD13 LEU A 59 3.455 -1.438 30.645 1.00 70.22 H new ATOM 0 HD21 LEU A 59 4.892 -2.221 28.036 1.00 64.31 H new ATOM 0 HD22 LEU A 59 5.477 -0.958 29.144 1.00 64.31 H new ATOM 0 HD23 LEU A 59 6.543 -2.309 28.693 1.00 64.31 H new ATOM 946 N ALA A 60 7.882 -3.586 29.047 1.00 23.53 N ATOM 947 CA ALA A 60 8.082 -4.349 27.821 1.00 33.12 C ATOM 948 C ALA A 60 9.099 -5.466 28.029 1.00 41.14 C ATOM 949 O ALA A 60 8.860 -6.613 27.653 1.00 15.04 O ATOM 950 CB ALA A 60 8.527 -3.429 26.694 1.00 22.21 C ATOM 0 H ALA A 60 8.158 -2.606 28.984 1.00 23.53 H new ATOM 0 HA ALA A 60 7.131 -4.806 27.547 1.00 33.12 H new ATOM 0 HB1 ALA A 60 8.673 -4.012 25.785 1.00 22.21 H new ATOM 0 HB2 ALA A 60 7.764 -2.671 26.521 1.00 22.21 H new ATOM 0 HB3 ALA A 60 9.464 -2.944 26.968 1.00 22.21 H new ATOM 956 N GLU A 61 10.235 -5.122 28.628 1.00 50.34 N ATOM 957 CA GLU A 61 11.289 -6.096 28.883 1.00 60.53 C ATOM 958 C GLU A 61 10.754 -7.279 29.686 1.00 1.50 C ATOM 959 O GLU A 61 11.219 -8.409 29.534 1.00 45.23 O ATOM 960 CB GLU A 61 12.451 -5.440 29.632 1.00 34.31 C ATOM 961 CG GLU A 61 13.614 -5.055 28.734 1.00 21.10 C ATOM 962 CD GLU A 61 14.908 -4.871 29.503 1.00 63.24 C ATOM 963 OE1 GLU A 61 15.651 -5.862 29.660 1.00 23.22 O ATOM 964 OE2 GLU A 61 15.178 -3.735 29.946 1.00 32.22 O ATOM 0 H GLU A 61 10.448 -4.176 28.945 1.00 50.34 H new ATOM 0 HA GLU A 61 11.648 -6.464 27.922 1.00 60.53 H new ATOM 0 HB2 GLU A 61 12.086 -4.548 30.142 1.00 34.31 H new ATOM 0 HB3 GLU A 61 12.808 -6.124 30.402 1.00 34.31 H new ATOM 0 HG2 GLU A 61 13.753 -5.825 27.975 1.00 21.10 H new ATOM 0 HG3 GLU A 61 13.373 -4.131 28.209 1.00 21.10 H new ATOM 971 N LEU A 62 9.774 -7.009 30.542 1.00 65.51 N ATOM 972 CA LEU A 62 9.175 -8.050 31.371 1.00 43.13 C ATOM 973 C LEU A 62 8.265 -8.950 30.541 1.00 12.33 C ATOM 974 O LEU A 62 8.311 -10.175 30.659 1.00 72.03 O ATOM 975 CB LEU A 62 8.383 -7.422 32.518 1.00 13.23 C ATOM 976 CG LEU A 62 7.962 -8.370 33.641 1.00 35.42 C ATOM 977 CD1 LEU A 62 7.808 -7.613 34.951 1.00 42.42 C ATOM 978 CD2 LEU A 62 6.666 -9.082 33.280 1.00 20.41 C ATOM 0 H LEU A 62 9.378 -6.079 30.680 1.00 65.51 H new ATOM 0 HA LEU A 62 9.979 -8.660 31.784 1.00 43.13 H new ATOM 0 HB2 LEU A 62 8.983 -6.621 32.951 1.00 13.23 H new ATOM 0 HB3 LEU A 62 7.486 -6.961 32.104 1.00 13.23 H new ATOM 0 HG LEU A 62 8.743 -9.120 33.768 1.00 35.42 H new ATOM 0 HD11 LEU A 62 7.508 -8.305 35.738 1.00 42.42 H new ATOM 0 HD12 LEU A 62 8.758 -7.150 35.218 1.00 42.42 H new ATOM 0 HD13 LEU A 62 7.047 -6.841 34.838 1.00 42.42 H new ATOM 0 HD21 LEU A 62 6.381 -9.753 34.091 1.00 20.41 H new ATOM 0 HD22 LEU A 62 5.877 -8.346 33.124 1.00 20.41 H new ATOM 0 HD23 LEU A 62 6.810 -9.658 32.366 1.00 20.41 H new ATOM 990 N LEU A 63 7.439 -8.335 29.702 1.00 45.43 N ATOM 991 CA LEU A 63 6.519 -9.080 28.850 1.00 41.11 C ATOM 992 C LEU A 63 7.280 -9.992 27.893 1.00 41.21 C ATOM 993 O LEU A 63 6.977 -11.180 27.779 1.00 11.12 O ATOM 994 CB LEU A 63 5.632 -8.117 28.058 1.00 25.03 C ATOM 995 CG LEU A 63 4.130 -8.400 28.099 1.00 24.23 C ATOM 996 CD1 LEU A 63 3.439 -7.473 29.087 1.00 62.00 C ATOM 997 CD2 LEU A 63 3.522 -8.254 26.712 1.00 0.21 C ATOM 0 H LEU A 63 7.387 -7.322 29.593 1.00 45.43 H new ATOM 0 HA LEU A 63 5.891 -9.699 29.490 1.00 41.11 H new ATOM 0 HB2 LEU A 63 5.801 -7.107 28.432 1.00 25.03 H new ATOM 0 HB3 LEU A 63 5.955 -8.129 27.017 1.00 25.03 H new ATOM 0 HG LEU A 63 3.982 -9.427 28.432 1.00 24.23 H new ATOM 0 HD11 LEU A 63 2.371 -7.689 29.103 1.00 62.00 H new ATOM 0 HD12 LEU A 63 3.855 -7.627 30.083 1.00 62.00 H new ATOM 0 HD13 LEU A 63 3.595 -6.437 28.785 1.00 62.00 H new ATOM 0 HD21 LEU A 63 2.453 -8.459 26.760 1.00 0.21 H new ATOM 0 HD22 LEU A 63 3.681 -7.238 26.350 1.00 0.21 H new ATOM 0 HD23 LEU A 63 3.996 -8.960 26.031 1.00 0.21 H new ATOM 1009 N ILE A 64 8.270 -9.429 27.209 1.00 42.41 N ATOM 1010 CA ILE A 64 9.077 -10.192 26.265 1.00 54.04 C ATOM 1011 C ILE A 64 9.761 -11.369 26.952 1.00 54.03 C ATOM 1012 O ILE A 64 9.978 -12.416 26.342 1.00 33.11 O ATOM 1013 CB ILE A 64 10.147 -9.309 25.596 1.00 22.32 C ATOM 1014 CG1 ILE A 64 11.168 -8.836 26.632 1.00 5.34 C ATOM 1015 CG2 ILE A 64 9.497 -8.121 24.904 1.00 50.13 C ATOM 1016 CD1 ILE A 64 12.319 -8.057 26.034 1.00 25.44 C ATOM 0 H ILE A 64 8.533 -8.447 27.291 1.00 42.41 H new ATOM 0 HA ILE A 64 8.397 -10.567 25.500 1.00 54.04 H new ATOM 0 HB ILE A 64 10.668 -9.901 24.844 1.00 22.32 H new ATOM 0 HG12 ILE A 64 10.663 -8.213 27.370 1.00 5.34 H new ATOM 0 HG13 ILE A 64 11.563 -9.702 27.163 1.00 5.34 H new ATOM 0 HG21 ILE A 64 10.266 -7.507 24.436 1.00 50.13 H new ATOM 0 HG22 ILE A 64 8.805 -8.478 24.142 1.00 50.13 H new ATOM 0 HG23 ILE A 64 8.954 -7.525 25.637 1.00 50.13 H new ATOM 0 HD11 ILE A 64 13.003 -7.753 26.826 1.00 25.44 H new ATOM 0 HD12 ILE A 64 12.849 -8.684 25.317 1.00 25.44 H new ATOM 0 HD13 ILE A 64 11.935 -7.172 25.527 1.00 25.44 H new ATOM 1028 N SER A 65 10.097 -11.190 28.225 1.00 14.02 N ATOM 1029 CA SER A 65 10.758 -12.237 28.996 1.00 50.53 C ATOM 1030 C SER A 65 9.760 -13.309 29.424 1.00 45.42 C ATOM 1031 O SER A 65 10.122 -14.470 29.612 1.00 72.52 O ATOM 1032 CB SER A 65 11.441 -11.638 30.227 1.00 31.31 C ATOM 1033 OG SER A 65 12.848 -11.604 30.063 1.00 1.34 O ATOM 0 H SER A 65 9.923 -10.330 28.745 1.00 14.02 H new ATOM 0 HA SER A 65 11.512 -12.701 28.361 1.00 50.53 H new ATOM 0 HB2 SER A 65 11.067 -10.629 30.399 1.00 31.31 H new ATOM 0 HB3 SER A 65 11.189 -12.226 31.109 1.00 31.31 H new ATOM 0 HG SER A 65 13.261 -11.215 30.862 1.00 1.34 H new ATOM 1039 N LYS A 66 8.502 -12.910 29.576 1.00 2.14 N ATOM 1040 CA LYS A 66 7.450 -13.834 29.981 1.00 31.41 C ATOM 1041 C LYS A 66 7.372 -15.021 29.026 1.00 33.44 C ATOM 1042 O LYS A 66 7.610 -16.164 29.420 1.00 50.52 O ATOM 1043 CB LYS A 66 6.100 -13.114 30.028 1.00 23.30 C ATOM 1044 CG LYS A 66 4.908 -14.051 29.944 1.00 72.22 C ATOM 1045 CD LYS A 66 4.914 -15.065 31.075 1.00 21.15 C ATOM 1046 CE LYS A 66 4.262 -16.373 30.655 1.00 20.43 C ATOM 1047 NZ LYS A 66 4.968 -17.000 29.503 1.00 32.14 N ATOM 0 H LYS A 66 8.186 -11.952 29.425 1.00 2.14 H new ATOM 0 HA LYS A 66 7.691 -14.206 30.977 1.00 31.41 H new ATOM 0 HB2 LYS A 66 6.036 -12.540 30.952 1.00 23.30 H new ATOM 0 HB3 LYS A 66 6.049 -12.401 29.206 1.00 23.30 H new ATOM 0 HG2 LYS A 66 3.986 -13.471 29.979 1.00 72.22 H new ATOM 0 HG3 LYS A 66 4.921 -14.572 28.987 1.00 72.22 H new ATOM 0 HD2 LYS A 66 5.940 -15.254 31.390 1.00 21.15 H new ATOM 0 HD3 LYS A 66 4.386 -14.654 31.936 1.00 21.15 H new ATOM 0 HE2 LYS A 66 4.258 -17.064 31.498 1.00 20.43 H new ATOM 0 HE3 LYS A 66 3.221 -16.191 30.387 1.00 20.43 H new ATOM 0 HZ1 LYS A 66 4.757 -18.018 29.479 1.00 32.14 H new ATOM 0 HZ2 LYS A 66 4.647 -16.559 28.617 1.00 32.14 H new ATOM 0 HZ3 LYS A 66 5.993 -16.861 29.607 1.00 32.14 H new ATOM 1061 N TYR A 67 7.038 -14.744 27.771 1.00 41.10 N ATOM 1062 CA TYR A 67 6.928 -15.789 26.760 1.00 31.25 C ATOM 1063 C TYR A 67 7.884 -15.529 25.601 1.00 41.35 C ATOM 1064 O TYR A 67 8.499 -16.452 25.068 1.00 12.23 O ATOM 1065 CB TYR A 67 5.492 -15.877 26.242 1.00 35.21 C ATOM 1066 CG TYR A 67 4.998 -17.295 26.064 1.00 33.34 C ATOM 1067 CD1 TYR A 67 5.805 -18.265 25.482 1.00 51.33 C ATOM 1068 CD2 TYR A 67 3.724 -17.665 26.478 1.00 21.50 C ATOM 1069 CE1 TYR A 67 5.358 -19.561 25.317 1.00 71.44 C ATOM 1070 CE2 TYR A 67 3.269 -18.960 26.318 1.00 24.03 C ATOM 1071 CZ TYR A 67 4.090 -19.904 25.737 1.00 73.31 C ATOM 1072 OH TYR A 67 3.640 -21.195 25.575 1.00 51.43 O ATOM 0 H TYR A 67 6.839 -13.804 27.429 1.00 41.10 H new ATOM 0 HA TYR A 67 7.199 -16.738 27.224 1.00 31.25 H new ATOM 0 HB2 TYR A 67 4.832 -15.356 26.935 1.00 35.21 H new ATOM 0 HB3 TYR A 67 5.427 -15.356 25.287 1.00 35.21 H new ATOM 0 HD1 TYR A 67 6.799 -18.001 25.153 1.00 51.33 H new ATOM 0 HD2 TYR A 67 3.079 -16.928 26.932 1.00 21.50 H new ATOM 0 HE1 TYR A 67 5.998 -20.302 24.861 1.00 71.44 H new ATOM 0 HE2 TYR A 67 2.276 -19.231 26.646 1.00 24.03 H new ATOM 0 HH TYR A 67 2.727 -21.270 25.924 1.00 51.43 H new ATOM 1082 N GLY A 68 8.004 -14.262 25.214 1.00 22.01 N ATOM 1083 CA GLY A 68 8.887 -13.901 24.120 1.00 10.34 C ATOM 1084 C GLY A 68 8.573 -12.532 23.550 1.00 52.02 C ATOM 1085 O GLY A 68 7.428 -12.083 23.593 1.00 1.34 O ATOM 0 H GLY A 68 7.506 -13.480 25.639 1.00 22.01 H new ATOM 0 HA2 GLY A 68 9.919 -13.918 24.470 1.00 10.34 H new ATOM 0 HA3 GLY A 68 8.806 -14.648 23.330 1.00 10.34 H new ATOM 1089 N GLU A 69 9.592 -11.867 23.015 1.00 62.34 N ATOM 1090 CA GLU A 69 9.418 -10.540 22.436 1.00 63.44 C ATOM 1091 C GLU A 69 8.555 -10.604 21.179 1.00 63.13 C ATOM 1092 O GLU A 69 7.887 -9.634 20.820 1.00 4.11 O ATOM 1093 CB GLU A 69 10.778 -9.923 22.103 1.00 1.51 C ATOM 1094 CG GLU A 69 11.571 -10.713 21.076 1.00 22.43 C ATOM 1095 CD GLU A 69 12.915 -11.175 21.606 1.00 32.05 C ATOM 1096 OE1 GLU A 69 12.933 -11.937 22.596 1.00 41.23 O ATOM 1097 OE2 GLU A 69 13.948 -10.774 21.031 1.00 24.12 O ATOM 0 H GLU A 69 10.546 -12.225 22.970 1.00 62.34 H new ATOM 0 HA GLU A 69 8.913 -9.914 23.171 1.00 63.44 H new ATOM 0 HB2 GLU A 69 10.626 -8.910 21.731 1.00 1.51 H new ATOM 0 HB3 GLU A 69 11.364 -9.842 23.018 1.00 1.51 H new ATOM 0 HG2 GLU A 69 10.990 -11.581 20.763 1.00 22.43 H new ATOM 0 HG3 GLU A 69 11.726 -10.097 20.190 1.00 22.43 H new ATOM 1104 N LYS A 70 8.575 -11.754 20.513 1.00 53.54 N ATOM 1105 CA LYS A 70 7.795 -11.947 19.296 1.00 54.40 C ATOM 1106 C LYS A 70 6.302 -11.810 19.579 1.00 0.42 C ATOM 1107 O LYS A 70 5.712 -10.756 19.345 1.00 15.34 O ATOM 1108 CB LYS A 70 8.086 -13.322 18.692 1.00 74.31 C ATOM 1109 CG LYS A 70 9.505 -13.470 18.172 1.00 21.31 C ATOM 1110 CD LYS A 70 9.788 -12.499 17.038 1.00 31.32 C ATOM 1111 CE LYS A 70 11.027 -11.662 17.317 1.00 60.41 C ATOM 1112 NZ LYS A 70 12.148 -12.009 16.401 1.00 63.35 N ATOM 0 H LYS A 70 9.123 -12.566 20.796 1.00 53.54 H new ATOM 0 HA LYS A 70 8.084 -11.175 18.583 1.00 54.40 H new ATOM 0 HB2 LYS A 70 7.903 -14.087 19.447 1.00 74.31 H new ATOM 0 HB3 LYS A 70 7.388 -13.506 17.875 1.00 74.31 H new ATOM 0 HG2 LYS A 70 10.211 -13.298 18.984 1.00 21.31 H new ATOM 0 HG3 LYS A 70 9.662 -14.491 17.825 1.00 21.31 H new ATOM 0 HD2 LYS A 70 9.923 -13.053 16.109 1.00 31.32 H new ATOM 0 HD3 LYS A 70 8.929 -11.843 16.896 1.00 31.32 H new ATOM 0 HE2 LYS A 70 10.783 -10.605 17.209 1.00 60.41 H new ATOM 0 HE3 LYS A 70 11.342 -11.812 18.350 1.00 60.41 H new ATOM 0 HZ1 LYS A 70 12.974 -11.417 16.623 1.00 63.35 H new ATOM 0 HZ2 LYS A 70 12.398 -13.011 16.522 1.00 63.35 H new ATOM 0 HZ3 LYS A 70 11.857 -11.841 15.417 1.00 63.35 H new ATOM 1126 N GLU A 71 5.699 -12.881 20.085 1.00 63.21 N ATOM 1127 CA GLU A 71 4.276 -12.878 20.400 1.00 34.42 C ATOM 1128 C GLU A 71 3.910 -11.669 21.256 1.00 42.11 C ATOM 1129 O GLU A 71 2.773 -11.199 21.231 1.00 3.53 O ATOM 1130 CB GLU A 71 3.889 -14.167 21.128 1.00 23.54 C ATOM 1131 CG GLU A 71 4.512 -14.297 22.508 1.00 13.25 C ATOM 1132 CD GLU A 71 3.884 -15.406 23.330 1.00 71.11 C ATOM 1133 OE1 GLU A 71 4.361 -16.557 23.235 1.00 52.52 O ATOM 1134 OE2 GLU A 71 2.916 -15.124 24.067 1.00 24.42 O ATOM 0 H GLU A 71 6.174 -13.761 20.285 1.00 63.21 H new ATOM 0 HA GLU A 71 3.723 -12.818 19.462 1.00 34.42 H new ATOM 0 HB2 GLU A 71 2.804 -14.209 21.223 1.00 23.54 H new ATOM 0 HB3 GLU A 71 4.189 -15.021 20.521 1.00 23.54 H new ATOM 0 HG2 GLU A 71 5.580 -14.488 22.404 1.00 13.25 H new ATOM 0 HG3 GLU A 71 4.407 -13.352 23.040 1.00 13.25 H new ATOM 1141 N ALA A 72 4.883 -11.171 22.012 1.00 30.14 N ATOM 1142 CA ALA A 72 4.665 -10.016 22.875 1.00 62.33 C ATOM 1143 C ALA A 72 3.986 -8.883 22.113 1.00 1.12 C ATOM 1144 O ALA A 72 2.872 -8.478 22.446 1.00 70.23 O ATOM 1145 CB ALA A 72 5.985 -9.542 23.465 1.00 51.22 C ATOM 0 H ALA A 72 5.830 -11.549 22.044 1.00 30.14 H new ATOM 0 HA ALA A 72 4.005 -10.319 23.688 1.00 62.33 H new ATOM 0 HB1 ALA A 72 5.808 -8.679 24.107 1.00 51.22 H new ATOM 0 HB2 ALA A 72 6.431 -10.345 24.052 1.00 51.22 H new ATOM 0 HB3 ALA A 72 6.664 -9.261 22.660 1.00 51.22 H new ATOM 1151 N VAL A 73 4.665 -8.374 21.090 1.00 12.40 N ATOM 1152 CA VAL A 73 4.127 -7.287 20.281 1.00 54.41 C ATOM 1153 C VAL A 73 2.832 -7.703 19.592 1.00 32.14 C ATOM 1154 O VAL A 73 1.954 -6.877 19.344 1.00 14.32 O ATOM 1155 CB VAL A 73 5.138 -6.827 19.214 1.00 71.42 C ATOM 1156 CG1 VAL A 73 4.464 -5.923 18.193 1.00 0.35 C ATOM 1157 CG2 VAL A 73 6.318 -6.123 19.866 1.00 14.25 C ATOM 0 H VAL A 73 5.589 -8.697 20.802 1.00 12.40 H new ATOM 0 HA VAL A 73 3.924 -6.459 20.960 1.00 54.41 H new ATOM 0 HB VAL A 73 5.513 -7.707 18.692 1.00 71.42 H new ATOM 0 HG11 VAL A 73 5.194 -5.608 17.447 1.00 0.35 H new ATOM 0 HG12 VAL A 73 3.656 -6.467 17.703 1.00 0.35 H new ATOM 0 HG13 VAL A 73 4.058 -5.045 18.696 1.00 0.35 H new ATOM 0 HG21 VAL A 73 7.022 -5.805 19.097 1.00 14.25 H new ATOM 0 HG22 VAL A 73 5.963 -5.251 20.416 1.00 14.25 H new ATOM 0 HG23 VAL A 73 6.816 -6.807 20.553 1.00 14.25 H new ATOM 1167 N LYS A 74 2.719 -8.991 19.286 1.00 70.10 N ATOM 1168 CA LYS A 74 1.531 -9.520 18.627 1.00 34.13 C ATOM 1169 C LYS A 74 0.318 -9.444 19.549 1.00 20.04 C ATOM 1170 O LYS A 74 -0.758 -9.008 19.141 1.00 15.13 O ATOM 1171 CB LYS A 74 1.765 -10.969 18.194 1.00 71.01 C ATOM 1172 CG LYS A 74 1.196 -11.294 16.823 1.00 3.54 C ATOM 1173 CD LYS A 74 1.900 -12.485 16.196 1.00 51.05 C ATOM 1174 CE LYS A 74 1.343 -13.800 16.719 1.00 61.23 C ATOM 1175 NZ LYS A 74 2.426 -14.733 17.138 1.00 74.12 N ATOM 0 H LYS A 74 3.437 -9.688 19.484 1.00 70.10 H new ATOM 0 HA LYS A 74 1.334 -8.911 17.745 1.00 34.13 H new ATOM 0 HB2 LYS A 74 2.836 -11.170 18.190 1.00 71.01 H new ATOM 0 HB3 LYS A 74 1.318 -11.636 18.931 1.00 71.01 H new ATOM 0 HG2 LYS A 74 0.130 -11.505 16.911 1.00 3.54 H new ATOM 0 HG3 LYS A 74 1.296 -10.426 16.171 1.00 3.54 H new ATOM 0 HD2 LYS A 74 1.788 -12.446 15.112 1.00 51.05 H new ATOM 0 HD3 LYS A 74 2.968 -12.431 16.408 1.00 51.05 H new ATOM 0 HE2 LYS A 74 0.684 -13.605 17.565 1.00 61.23 H new ATOM 0 HE3 LYS A 74 0.737 -14.271 15.945 1.00 61.23 H new ATOM 0 HZ1 LYS A 74 2.006 -15.618 17.488 1.00 74.12 H new ATOM 0 HZ2 LYS A 74 3.040 -14.940 16.325 1.00 74.12 H new ATOM 0 HZ3 LYS A 74 2.989 -14.294 17.894 1.00 74.12 H new ATOM 1189 N VAL A 75 0.500 -9.870 20.795 1.00 0.25 N ATOM 1190 CA VAL A 75 -0.578 -9.847 21.776 1.00 35.33 C ATOM 1191 C VAL A 75 -1.018 -8.419 22.077 1.00 0.22 C ATOM 1192 O VAL A 75 -2.085 -8.193 22.648 1.00 21.34 O ATOM 1193 CB VAL A 75 -0.156 -10.530 23.091 1.00 72.44 C ATOM 1194 CG1 VAL A 75 0.839 -9.664 23.847 1.00 1.11 C ATOM 1195 CG2 VAL A 75 -1.375 -10.831 23.950 1.00 40.01 C ATOM 0 H VAL A 75 1.384 -10.235 21.149 1.00 0.25 H new ATOM 0 HA VAL A 75 -1.412 -10.397 21.341 1.00 35.33 H new ATOM 0 HB VAL A 75 0.332 -11.475 22.850 1.00 72.44 H new ATOM 0 HG11 VAL A 75 1.125 -10.163 24.773 1.00 1.11 H new ATOM 0 HG12 VAL A 75 1.724 -9.505 23.231 1.00 1.11 H new ATOM 0 HG13 VAL A 75 0.381 -8.702 24.079 1.00 1.11 H new ATOM 0 HG21 VAL A 75 -1.058 -11.313 24.875 1.00 40.01 H new ATOM 0 HG22 VAL A 75 -1.893 -9.901 24.185 1.00 40.01 H new ATOM 0 HG23 VAL A 75 -2.048 -11.494 23.407 1.00 40.01 H new ATOM 1205 N VAL A 76 -0.188 -7.456 21.688 1.00 12.12 N ATOM 1206 CA VAL A 76 -0.491 -6.048 21.915 1.00 55.24 C ATOM 1207 C VAL A 76 -1.467 -5.521 20.868 1.00 3.41 C ATOM 1208 O VAL A 76 -2.510 -4.958 21.203 1.00 0.02 O ATOM 1209 CB VAL A 76 0.786 -5.188 21.890 1.00 52.54 C ATOM 1210 CG1 VAL A 76 0.473 -3.780 21.405 1.00 35.13 C ATOM 1211 CG2 VAL A 76 1.433 -5.155 23.266 1.00 13.11 C ATOM 0 H VAL A 76 0.699 -7.625 21.214 1.00 12.12 H new ATOM 0 HA VAL A 76 -0.948 -5.977 22.902 1.00 55.24 H new ATOM 0 HB VAL A 76 1.492 -5.638 21.192 1.00 52.54 H new ATOM 0 HG11 VAL A 76 1.388 -3.187 21.394 1.00 35.13 H new ATOM 0 HG12 VAL A 76 0.058 -3.826 20.398 1.00 35.13 H new ATOM 0 HG13 VAL A 76 -0.251 -3.317 22.075 1.00 35.13 H new ATOM 0 HG21 VAL A 76 2.334 -4.543 23.230 1.00 13.11 H new ATOM 0 HG22 VAL A 76 0.734 -4.730 23.987 1.00 13.11 H new ATOM 0 HG23 VAL A 76 1.695 -6.169 23.569 1.00 13.11 H new ATOM 1221 N LEU A 77 -1.121 -5.706 19.599 1.00 72.41 N ATOM 1222 CA LEU A 77 -1.967 -5.250 18.501 1.00 4.11 C ATOM 1223 C LEU A 77 -3.229 -6.100 18.396 1.00 63.10 C ATOM 1224 O LEU A 77 -4.330 -5.577 18.226 1.00 73.34 O ATOM 1225 CB LEU A 77 -1.194 -5.299 17.182 1.00 42.41 C ATOM 1226 CG LEU A 77 -0.441 -6.598 16.892 1.00 13.24 C ATOM 1227 CD1 LEU A 77 -1.022 -7.290 15.669 1.00 11.02 C ATOM 1228 CD2 LEU A 77 1.043 -6.323 16.697 1.00 14.54 C ATOM 0 H LEU A 77 -0.261 -6.168 19.305 1.00 72.41 H new ATOM 0 HA LEU A 77 -2.261 -4.220 18.705 1.00 4.11 H new ATOM 0 HB2 LEU A 77 -1.895 -5.119 16.367 1.00 42.41 H new ATOM 0 HB3 LEU A 77 -0.477 -4.478 17.173 1.00 42.41 H new ATOM 0 HG LEU A 77 -0.557 -7.261 17.749 1.00 13.24 H new ATOM 0 HD11 LEU A 77 -0.474 -8.212 15.478 1.00 11.02 H new ATOM 0 HD12 LEU A 77 -2.072 -7.522 15.847 1.00 11.02 H new ATOM 0 HD13 LEU A 77 -0.938 -6.632 14.804 1.00 11.02 H new ATOM 0 HD21 LEU A 77 1.563 -7.259 16.492 1.00 14.54 H new ATOM 0 HD22 LEU A 77 1.179 -5.641 15.858 1.00 14.54 H new ATOM 0 HD23 LEU A 77 1.451 -5.872 17.601 1.00 14.54 H new ATOM 1240 N LYS A 78 -3.061 -7.414 18.501 1.00 71.03 N ATOM 1241 CA LYS A 78 -4.186 -8.338 18.421 1.00 32.12 C ATOM 1242 C LYS A 78 -5.290 -7.936 19.393 1.00 15.25 C ATOM 1243 O LYS A 78 -6.471 -7.949 19.047 1.00 21.33 O ATOM 1244 CB LYS A 78 -3.723 -9.765 18.721 1.00 23.34 C ATOM 1245 CG LYS A 78 -4.595 -10.834 18.086 1.00 21.32 C ATOM 1246 CD LYS A 78 -5.715 -11.267 19.018 1.00 43.41 C ATOM 1247 CE LYS A 78 -5.171 -11.943 20.267 1.00 63.01 C ATOM 1248 NZ LYS A 78 -6.040 -13.067 20.713 1.00 54.34 N ATOM 0 H LYS A 78 -2.156 -7.863 18.642 1.00 71.03 H new ATOM 0 HA LYS A 78 -4.585 -8.298 17.408 1.00 32.12 H new ATOM 0 HB2 LYS A 78 -2.699 -9.887 18.369 1.00 23.34 H new ATOM 0 HB3 LYS A 78 -3.709 -9.914 19.801 1.00 23.34 H new ATOM 0 HG2 LYS A 78 -5.020 -10.454 17.157 1.00 21.32 H new ATOM 0 HG3 LYS A 78 -3.982 -11.697 17.826 1.00 21.32 H new ATOM 0 HD2 LYS A 78 -6.309 -10.399 19.303 1.00 43.41 H new ATOM 0 HD3 LYS A 78 -6.382 -11.951 18.494 1.00 43.41 H new ATOM 0 HE2 LYS A 78 -4.167 -12.317 20.069 1.00 63.01 H new ATOM 0 HE3 LYS A 78 -5.086 -11.210 21.069 1.00 63.01 H new ATOM 0 HZ1 LYS A 78 -5.592 -13.555 21.515 1.00 54.34 H new ATOM 0 HZ2 LYS A 78 -6.966 -12.695 21.007 1.00 54.34 H new ATOM 0 HZ3 LYS A 78 -6.170 -13.738 19.929 1.00 54.34 H new ATOM 1262 N GLY A 79 -4.898 -7.576 20.612 1.00 31.41 N ATOM 1263 CA GLY A 79 -5.867 -7.174 21.615 1.00 40.02 C ATOM 1264 C GLY A 79 -6.249 -5.712 21.498 1.00 4.42 C ATOM 1265 O GLY A 79 -7.279 -5.287 22.024 1.00 63.23 O ATOM 0 H GLY A 79 -3.927 -7.556 20.922 1.00 31.41 H new ATOM 0 HA2 GLY A 79 -6.762 -7.789 21.519 1.00 40.02 H new ATOM 0 HA3 GLY A 79 -5.457 -7.361 22.608 1.00 40.02 H new ATOM 1269 N LEU A 80 -5.417 -4.938 20.810 1.00 42.04 N ATOM 1270 CA LEU A 80 -5.671 -3.513 20.627 1.00 73.22 C ATOM 1271 C LEU A 80 -6.826 -3.286 19.657 1.00 73.53 C ATOM 1272 O LEU A 80 -7.541 -2.288 19.748 1.00 73.33 O ATOM 1273 CB LEU A 80 -4.413 -2.812 20.112 1.00 20.13 C ATOM 1274 CG LEU A 80 -3.819 -1.741 21.028 1.00 31.32 C ATOM 1275 CD1 LEU A 80 -4.888 -1.174 21.949 1.00 52.32 C ATOM 1276 CD2 LEU A 80 -2.664 -2.313 21.838 1.00 51.44 C ATOM 0 H LEU A 80 -4.560 -5.273 20.369 1.00 42.04 H new ATOM 0 HA LEU A 80 -5.944 -3.091 21.594 1.00 73.22 H new ATOM 0 HB2 LEU A 80 -3.650 -3.568 19.928 1.00 20.13 H new ATOM 0 HB3 LEU A 80 -4.645 -2.352 19.151 1.00 20.13 H new ATOM 0 HG LEU A 80 -3.436 -0.931 20.407 1.00 31.32 H new ATOM 0 HD11 LEU A 80 -4.447 -0.414 22.593 1.00 52.32 H new ATOM 0 HD12 LEU A 80 -5.683 -0.727 21.352 1.00 52.32 H new ATOM 0 HD13 LEU A 80 -5.301 -1.974 22.563 1.00 52.32 H new ATOM 0 HD21 LEU A 80 -2.253 -1.537 22.484 1.00 51.44 H new ATOM 0 HD22 LEU A 80 -3.023 -3.141 22.449 1.00 51.44 H new ATOM 0 HD23 LEU A 80 -1.887 -2.671 21.162 1.00 51.44 H new ATOM 1288 N LYS A 81 -7.005 -4.221 18.729 1.00 42.42 N ATOM 1289 CA LYS A 81 -8.075 -4.126 17.743 1.00 0.00 C ATOM 1290 C LYS A 81 -9.419 -3.882 18.421 1.00 34.42 C ATOM 1291 O LYS A 81 -10.140 -2.946 18.076 1.00 45.52 O ATOM 1292 CB LYS A 81 -8.139 -5.405 16.905 1.00 41.11 C ATOM 1293 CG LYS A 81 -7.410 -5.298 15.576 1.00 33.54 C ATOM 1294 CD LYS A 81 -8.351 -4.890 14.455 1.00 34.54 C ATOM 1295 CE LYS A 81 -9.172 -6.071 13.959 1.00 63.12 C ATOM 1296 NZ LYS A 81 -8.891 -6.380 12.529 1.00 4.43 N ATOM 0 H LYS A 81 -6.422 -5.053 18.640 1.00 42.42 H new ATOM 0 HA LYS A 81 -7.859 -3.281 17.089 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.712 -6.227 17.479 1.00 41.11 H new ATOM 0 HB3 LYS A 81 -9.183 -5.655 16.718 1.00 41.11 H new ATOM 0 HG2 LYS A 81 -6.604 -4.569 15.660 1.00 33.54 H new ATOM 0 HG3 LYS A 81 -6.949 -6.256 15.335 1.00 33.54 H new ATOM 0 HD2 LYS A 81 -9.019 -4.104 14.807 1.00 34.54 H new ATOM 0 HD3 LYS A 81 -7.775 -4.473 13.629 1.00 34.54 H new ATOM 0 HE2 LYS A 81 -8.954 -6.947 14.570 1.00 63.12 H new ATOM 0 HE3 LYS A 81 -10.233 -5.853 14.082 1.00 63.12 H new ATOM 0 HZ1 LYS A 81 -9.470 -7.190 12.229 1.00 4.43 H new ATOM 0 HZ2 LYS A 81 -9.123 -5.553 11.943 1.00 4.43 H new ATOM 0 HZ3 LYS A 81 -7.884 -6.613 12.416 1.00 4.43 H new ATOM 1310 N VAL A 82 -9.751 -4.731 19.389 1.00 12.22 N ATOM 1311 CA VAL A 82 -11.008 -4.606 20.118 1.00 50.23 C ATOM 1312 C VAL A 82 -11.080 -3.280 20.867 1.00 45.12 C ATOM 1313 O VAL A 82 -12.097 -2.955 21.477 1.00 12.43 O ATOM 1314 CB VAL A 82 -11.193 -5.760 21.121 1.00 65.13 C ATOM 1315 CG1 VAL A 82 -12.633 -5.821 21.606 1.00 60.34 C ATOM 1316 CG2 VAL A 82 -10.776 -7.082 20.494 1.00 42.13 C ATOM 0 H VAL A 82 -9.167 -5.513 19.686 1.00 12.22 H new ATOM 0 HA VAL A 82 -11.807 -4.646 19.378 1.00 50.23 H new ATOM 0 HB VAL A 82 -10.553 -5.575 21.983 1.00 65.13 H new ATOM 0 HG11 VAL A 82 -12.744 -6.643 22.314 1.00 60.34 H new ATOM 0 HG12 VAL A 82 -12.892 -4.882 22.096 1.00 60.34 H new ATOM 0 HG13 VAL A 82 -13.297 -5.982 20.756 1.00 60.34 H new ATOM 0 HG21 VAL A 82 -10.913 -7.887 21.216 1.00 42.13 H new ATOM 0 HG22 VAL A 82 -11.389 -7.276 19.614 1.00 42.13 H new ATOM 0 HG23 VAL A 82 -9.727 -7.031 20.202 1.00 42.13 H new ATOM 1326 N MET A 83 -9.992 -2.518 20.815 1.00 42.00 N ATOM 1327 CA MET A 83 -9.932 -1.225 21.488 1.00 70.43 C ATOM 1328 C MET A 83 -10.018 -0.084 20.480 1.00 53.41 C ATOM 1329 O MET A 83 -10.091 1.085 20.857 1.00 12.01 O ATOM 1330 CB MET A 83 -8.641 -1.108 22.299 1.00 24.35 C ATOM 1331 CG MET A 83 -8.458 -2.224 23.315 1.00 22.41 C ATOM 1332 SD MET A 83 -9.746 -2.233 24.577 1.00 70.23 S ATOM 1333 CE MET A 83 -9.471 -0.642 25.352 1.00 32.34 C ATOM 0 H MET A 83 -9.141 -2.773 20.314 1.00 42.00 H new ATOM 0 HA MET A 83 -10.784 -1.155 22.164 1.00 70.43 H new ATOM 0 HB2 MET A 83 -7.791 -1.107 21.616 1.00 24.35 H new ATOM 0 HB3 MET A 83 -8.634 -0.150 22.819 1.00 24.35 H new ATOM 0 HG2 MET A 83 -8.455 -3.184 22.798 1.00 22.41 H new ATOM 0 HG3 MET A 83 -7.485 -2.117 23.795 1.00 22.41 H new ATOM 0 HE1 MET A 83 -9.574 -0.741 26.433 1.00 32.34 H new ATOM 0 HE2 MET A 83 -8.467 -0.290 25.114 1.00 32.34 H new ATOM 0 HE3 MET A 83 -10.204 0.075 24.982 1.00 32.34 H new ATOM 1343 N ASN A 84 -10.009 -0.431 19.197 1.00 50.41 N ATOM 1344 CA ASN A 84 -10.085 0.566 18.135 1.00 13.21 C ATOM 1345 C ASN A 84 -8.847 1.457 18.135 1.00 64.21 C ATOM 1346 O ASN A 84 -8.932 2.658 17.875 1.00 62.34 O ATOM 1347 CB ASN A 84 -11.343 1.422 18.300 1.00 4.31 C ATOM 1348 CG ASN A 84 -12.431 1.048 17.312 1.00 23.03 C ATOM 1349 OD1 ASN A 84 -13.198 0.113 17.542 1.00 14.41 O ATOM 1350 ND2 ASN A 84 -12.501 1.778 16.205 1.00 31.12 N ATOM 0 H ASN A 84 -9.950 -1.395 18.868 1.00 50.41 H new ATOM 0 HA ASN A 84 -10.133 0.041 17.181 1.00 13.21 H new ATOM 0 HB2 ASN A 84 -11.724 1.311 19.315 1.00 4.31 H new ATOM 0 HB3 ASN A 84 -11.084 2.473 18.170 1.00 4.31 H new ATOM 0 HD21 ASN A 84 -13.212 1.573 15.503 1.00 31.12 H new ATOM 0 HD22 ASN A 84 -11.844 2.544 16.057 1.00 31.12 H new ATOM 1357 N LEU A 85 -7.696 0.861 18.428 1.00 72.44 N ATOM 1358 CA LEU A 85 -6.438 1.599 18.461 1.00 74.12 C ATOM 1359 C LEU A 85 -5.717 1.505 17.120 1.00 5.34 C ATOM 1360 O LEU A 85 -4.488 1.575 17.058 1.00 13.23 O ATOM 1361 CB LEU A 85 -5.539 1.063 19.576 1.00 41.00 C ATOM 1362 CG LEU A 85 -5.539 1.861 20.880 1.00 34.14 C ATOM 1363 CD1 LEU A 85 -5.375 3.346 20.598 1.00 42.11 C ATOM 1364 CD2 LEU A 85 -6.819 1.604 21.662 1.00 32.55 C ATOM 0 H LEU A 85 -7.608 -0.132 18.646 1.00 72.44 H new ATOM 0 HA LEU A 85 -6.664 2.647 18.658 1.00 74.12 H new ATOM 0 HB2 LEU A 85 -5.842 0.040 19.799 1.00 41.00 H new ATOM 0 HB3 LEU A 85 -4.517 1.018 19.201 1.00 41.00 H new ATOM 0 HG LEU A 85 -4.694 1.532 21.485 1.00 34.14 H new ATOM 0 HD11 LEU A 85 -5.377 3.897 21.538 1.00 42.11 H new ATOM 0 HD12 LEU A 85 -4.431 3.516 20.080 1.00 42.11 H new ATOM 0 HD13 LEU A 85 -6.199 3.691 19.973 1.00 42.11 H new ATOM 0 HD21 LEU A 85 -6.802 2.180 22.587 1.00 32.55 H new ATOM 0 HD22 LEU A 85 -7.678 1.905 21.063 1.00 32.55 H new ATOM 0 HD23 LEU A 85 -6.895 0.542 21.897 1.00 32.55 H new ATOM 1376 N LEU A 86 -6.487 1.349 16.049 1.00 24.14 N ATOM 1377 CA LEU A 86 -5.921 1.248 14.708 1.00 0.14 C ATOM 1378 C LEU A 86 -4.978 2.414 14.426 1.00 75.30 C ATOM 1379 O LEU A 86 -4.121 2.331 13.548 1.00 43.24 O ATOM 1380 CB LEU A 86 -7.038 1.216 13.664 1.00 62.34 C ATOM 1381 CG LEU A 86 -8.114 0.148 13.865 1.00 52.44 C ATOM 1382 CD1 LEU A 86 -9.421 0.786 14.312 1.00 63.55 C ATOM 1383 CD2 LEU A 86 -8.318 -0.651 12.586 1.00 54.54 C ATOM 0 H LEU A 86 -7.505 1.290 16.083 1.00 24.14 H new ATOM 0 HA LEU A 86 -5.350 0.321 14.649 1.00 0.14 H new ATOM 0 HB2 LEU A 86 -7.522 2.193 13.649 1.00 62.34 H new ATOM 0 HB3 LEU A 86 -6.587 1.069 12.683 1.00 62.34 H new ATOM 0 HG LEU A 86 -7.780 -0.535 14.646 1.00 52.44 H new ATOM 0 HD11 LEU A 86 -10.175 0.011 14.450 1.00 63.55 H new ATOM 0 HD12 LEU A 86 -9.265 1.313 15.253 1.00 63.55 H new ATOM 0 HD13 LEU A 86 -9.760 1.491 13.553 1.00 63.55 H new ATOM 0 HD21 LEU A 86 -9.087 -1.406 12.748 1.00 54.54 H new ATOM 0 HD22 LEU A 86 -8.630 0.019 11.784 1.00 54.54 H new ATOM 0 HD23 LEU A 86 -7.383 -1.138 12.309 1.00 54.54 H new ATOM 1395 N GLU A 87 -5.143 3.497 15.178 1.00 14.23 N ATOM 1396 CA GLU A 87 -4.306 4.679 15.009 1.00 62.31 C ATOM 1397 C GLU A 87 -2.826 4.311 15.075 1.00 33.21 C ATOM 1398 O GLU A 87 -2.167 4.156 14.046 1.00 4.14 O ATOM 1399 CB GLU A 87 -4.632 5.720 16.081 1.00 1.42 C ATOM 1400 CG GLU A 87 -3.688 6.911 16.080 1.00 53.43 C ATOM 1401 CD GLU A 87 -3.798 7.741 14.815 1.00 22.21 C ATOM 1402 OE1 GLU A 87 -3.131 7.394 13.818 1.00 3.40 O ATOM 1403 OE2 GLU A 87 -4.551 8.737 14.823 1.00 73.20 O ATOM 0 H GLU A 87 -5.848 3.581 15.910 1.00 14.23 H new ATOM 0 HA GLU A 87 -4.514 5.103 14.027 1.00 62.31 H new ATOM 0 HB2 GLU A 87 -5.652 6.075 15.932 1.00 1.42 H new ATOM 0 HB3 GLU A 87 -4.600 5.243 17.060 1.00 1.42 H new ATOM 0 HG2 GLU A 87 -3.903 7.541 16.943 1.00 53.43 H new ATOM 0 HG3 GLU A 87 -2.663 6.558 16.190 1.00 53.43 H new ATOM 1410 N LEU A 88 -2.311 4.173 16.292 1.00 71.33 N ATOM 1411 CA LEU A 88 -0.909 3.823 16.494 1.00 52.43 C ATOM 1412 C LEU A 88 -0.633 2.394 16.039 1.00 50.05 C ATOM 1413 O LEU A 88 0.492 2.054 15.672 1.00 50.55 O ATOM 1414 CB LEU A 88 -0.530 3.984 17.967 1.00 35.31 C ATOM 1415 CG LEU A 88 -0.842 2.792 18.874 1.00 41.34 C ATOM 1416 CD1 LEU A 88 -2.311 2.412 18.769 1.00 25.41 C ATOM 1417 CD2 LEU A 88 0.045 1.607 18.520 1.00 13.11 C ATOM 0 H LEU A 88 -2.843 4.298 17.153 1.00 71.33 H new ATOM 0 HA LEU A 88 -0.301 4.499 15.893 1.00 52.43 H new ATOM 0 HB2 LEU A 88 0.539 4.190 18.026 1.00 35.31 H new ATOM 0 HB3 LEU A 88 -1.046 4.860 18.361 1.00 35.31 H new ATOM 0 HG LEU A 88 -0.636 3.079 19.905 1.00 41.34 H new ATOM 0 HD11 LEU A 88 -2.515 1.562 19.421 1.00 25.41 H new ATOM 0 HD12 LEU A 88 -2.928 3.258 19.072 1.00 25.41 H new ATOM 0 HD13 LEU A 88 -2.545 2.143 17.739 1.00 25.41 H new ATOM 0 HD21 LEU A 88 -0.190 0.768 19.175 1.00 13.11 H new ATOM 0 HD22 LEU A 88 -0.130 1.318 17.484 1.00 13.11 H new ATOM 0 HD23 LEU A 88 1.091 1.885 18.648 1.00 13.11 H new ATOM 1429 N VAL A 89 -1.668 1.560 16.063 1.00 50.20 N ATOM 1430 CA VAL A 89 -1.538 0.168 15.650 1.00 51.13 C ATOM 1431 C VAL A 89 -1.250 0.063 14.156 1.00 22.34 C ATOM 1432 O VAL A 89 -0.524 -0.829 13.715 1.00 12.42 O ATOM 1433 CB VAL A 89 -2.812 -0.635 15.973 1.00 12.32 C ATOM 1434 CG1 VAL A 89 -2.857 -1.918 15.157 1.00 1.51 C ATOM 1435 CG2 VAL A 89 -2.887 -0.937 17.462 1.00 30.31 C ATOM 0 H VAL A 89 -2.606 1.825 16.364 1.00 50.20 H new ATOM 0 HA VAL A 89 -0.702 -0.251 16.209 1.00 51.13 H new ATOM 0 HB VAL A 89 -3.679 -0.032 15.703 1.00 12.32 H new ATOM 0 HG11 VAL A 89 -3.764 -2.472 15.399 1.00 1.51 H new ATOM 0 HG12 VAL A 89 -2.853 -1.674 14.095 1.00 1.51 H new ATOM 0 HG13 VAL A 89 -1.986 -2.529 15.392 1.00 1.51 H new ATOM 0 HG21 VAL A 89 -3.793 -1.505 17.673 1.00 30.31 H new ATOM 0 HG22 VAL A 89 -2.016 -1.521 17.759 1.00 30.31 H new ATOM 0 HG23 VAL A 89 -2.906 -0.002 18.022 1.00 30.31 H new ATOM 1445 N ASP A 90 -1.822 0.979 13.383 1.00 33.40 N ATOM 1446 CA ASP A 90 -1.626 0.990 11.938 1.00 3.41 C ATOM 1447 C ASP A 90 -0.169 0.705 11.585 1.00 32.04 C ATOM 1448 O ASP A 90 0.123 -0.190 10.793 1.00 52.34 O ATOM 1449 CB ASP A 90 -2.050 2.339 11.355 1.00 4.42 C ATOM 1450 CG ASP A 90 -1.733 2.457 9.877 1.00 21.32 C ATOM 1451 OD1 ASP A 90 -1.844 1.438 9.163 1.00 34.24 O ATOM 1452 OD2 ASP A 90 -1.374 3.568 9.434 1.00 33.42 O ATOM 0 H ASP A 90 -2.425 1.724 13.733 1.00 33.40 H new ATOM 0 HA ASP A 90 -2.246 0.205 11.506 1.00 3.41 H new ATOM 0 HB2 ASP A 90 -3.121 2.476 11.506 1.00 4.42 H new ATOM 0 HB3 ASP A 90 -1.547 3.140 11.897 1.00 4.42 H new ATOM 1457 N GLN A 91 0.739 1.472 12.179 1.00 4.21 N ATOM 1458 CA GLN A 91 2.165 1.302 11.926 1.00 42.33 C ATOM 1459 C GLN A 91 2.716 0.105 12.694 1.00 53.23 C ATOM 1460 O GLN A 91 3.207 -0.855 12.099 1.00 41.02 O ATOM 1461 CB GLN A 91 2.929 2.569 12.317 1.00 74.15 C ATOM 1462 CG GLN A 91 2.535 3.121 13.677 1.00 51.20 C ATOM 1463 CD GLN A 91 3.609 2.911 14.725 1.00 24.25 C ATOM 1464 OE1 GLN A 91 4.785 2.741 14.401 1.00 41.32 O ATOM 1465 NE2 GLN A 91 3.211 2.921 15.992 1.00 20.31 N ATOM 0 H GLN A 91 0.513 2.217 12.838 1.00 4.21 H new ATOM 0 HA GLN A 91 2.299 1.119 10.860 1.00 42.33 H new ATOM 0 HB2 GLN A 91 3.997 2.354 12.317 1.00 74.15 H new ATOM 0 HB3 GLN A 91 2.758 3.334 11.560 1.00 74.15 H new ATOM 0 HG2 GLN A 91 2.325 4.187 13.585 1.00 51.20 H new ATOM 0 HG3 GLN A 91 1.613 2.642 14.006 1.00 51.20 H new ATOM 0 HE21 GLN A 91 2.226 3.065 16.216 1.00 20.31 H new ATOM 0 HE22 GLN A 91 3.890 2.784 16.741 1.00 20.31 H new ATOM 1474 N LEU A 92 2.631 0.169 14.018 1.00 70.51 N ATOM 1475 CA LEU A 92 3.121 -0.911 14.868 1.00 1.44 C ATOM 1476 C LEU A 92 2.890 -2.268 14.213 1.00 70.41 C ATOM 1477 O LEU A 92 3.814 -3.072 14.084 1.00 54.22 O ATOM 1478 CB LEU A 92 2.430 -0.866 16.232 1.00 11.33 C ATOM 1479 CG LEU A 92 2.642 -2.083 17.133 1.00 63.01 C ATOM 1480 CD1 LEU A 92 1.675 -3.196 16.763 1.00 72.45 C ATOM 1481 CD2 LEU A 92 4.081 -2.571 17.040 1.00 53.14 C ATOM 0 H LEU A 92 2.228 0.956 14.526 1.00 70.51 H new ATOM 0 HA LEU A 92 4.193 -0.773 15.006 1.00 1.44 H new ATOM 0 HB2 LEU A 92 2.778 0.020 16.764 1.00 11.33 H new ATOM 0 HB3 LEU A 92 1.359 -0.741 16.070 1.00 11.33 H new ATOM 0 HG LEU A 92 2.445 -1.787 18.163 1.00 63.01 H new ATOM 0 HD11 LEU A 92 1.841 -4.054 17.415 1.00 72.45 H new ATOM 0 HD12 LEU A 92 0.651 -2.843 16.882 1.00 72.45 H new ATOM 0 HD13 LEU A 92 1.839 -3.491 15.727 1.00 72.45 H new ATOM 0 HD21 LEU A 92 4.214 -3.438 17.688 1.00 53.14 H new ATOM 0 HD22 LEU A 92 4.305 -2.850 16.010 1.00 53.14 H new ATOM 0 HD23 LEU A 92 4.756 -1.775 17.355 1.00 53.14 H new ATOM 1493 N SER A 93 1.652 -2.517 13.799 1.00 54.32 N ATOM 1494 CA SER A 93 1.298 -3.778 13.158 1.00 44.14 C ATOM 1495 C SER A 93 2.086 -3.969 11.865 1.00 72.31 C ATOM 1496 O SER A 93 2.605 -5.053 11.595 1.00 12.02 O ATOM 1497 CB SER A 93 -0.203 -3.823 12.865 1.00 4.12 C ATOM 1498 OG SER A 93 -0.912 -4.429 13.932 1.00 60.02 O ATOM 0 H SER A 93 0.877 -1.862 13.896 1.00 54.32 H new ATOM 0 HA SER A 93 1.551 -4.588 13.842 1.00 44.14 H new ATOM 0 HB2 SER A 93 -0.576 -2.812 12.704 1.00 4.12 H new ATOM 0 HB3 SER A 93 -0.381 -4.378 11.944 1.00 4.12 H new ATOM 0 HG SER A 93 -1.869 -4.444 13.722 1.00 60.02 H new ATOM 1504 N HIS A 94 2.170 -2.909 11.068 1.00 3.53 N ATOM 1505 CA HIS A 94 2.895 -2.958 9.803 1.00 32.23 C ATOM 1506 C HIS A 94 4.401 -3.010 10.041 1.00 11.14 C ATOM 1507 O HIS A 94 5.187 -3.062 9.095 1.00 50.30 O ATOM 1508 CB HIS A 94 2.544 -1.744 8.942 1.00 21.34 C ATOM 1509 CG HIS A 94 2.616 -2.013 7.471 1.00 44.43 C ATOM 1510 ND1 HIS A 94 3.801 -2.253 6.807 1.00 51.42 N ATOM 1511 CD2 HIS A 94 1.642 -2.080 6.534 1.00 15.11 C ATOM 1512 CE1 HIS A 94 3.552 -2.454 5.525 1.00 34.02 C ATOM 1513 NE2 HIS A 94 2.249 -2.355 5.334 1.00 75.15 N ATOM 0 H HIS A 94 1.745 -2.005 11.275 1.00 3.53 H new ATOM 0 HA HIS A 94 2.597 -3.865 9.277 1.00 32.23 H new ATOM 0 HB2 HIS A 94 1.537 -1.409 9.193 1.00 21.34 H new ATOM 0 HB3 HIS A 94 3.222 -0.927 9.187 1.00 21.34 H new ATOM 0 HD1 HIS A 94 4.725 -2.272 7.238 1.00 51.42 H new ATOM 0 HD2 HIS A 94 0.584 -1.943 6.700 1.00 15.11 H new ATOM 0 HE1 HIS A 94 4.288 -2.664 4.763 1.00 34.02 H new ATOM 1521 N ILE A 95 4.795 -2.995 11.310 1.00 3.41 N ATOM 1522 CA ILE A 95 6.207 -3.040 11.671 1.00 34.05 C ATOM 1523 C ILE A 95 6.582 -4.399 12.252 1.00 60.21 C ATOM 1524 O ILE A 95 7.723 -4.845 12.127 1.00 62.33 O ATOM 1525 CB ILE A 95 6.562 -1.943 12.692 1.00 1.30 C ATOM 1526 CG1 ILE A 95 6.385 -0.558 12.067 1.00 51.52 C ATOM 1527 CG2 ILE A 95 7.987 -2.126 13.192 1.00 43.11 C ATOM 1528 CD1 ILE A 95 7.301 -0.304 10.890 1.00 74.33 C ATOM 0 H ILE A 95 4.157 -2.952 12.105 1.00 3.41 H new ATOM 0 HA ILE A 95 6.773 -2.870 10.755 1.00 34.05 H new ATOM 0 HB ILE A 95 5.886 -2.026 13.543 1.00 1.30 H new ATOM 0 HG12 ILE A 95 5.351 -0.444 11.743 1.00 51.52 H new ATOM 0 HG13 ILE A 95 6.566 0.201 12.828 1.00 51.52 H new ATOM 0 HG21 ILE A 95 8.223 -1.343 13.913 1.00 43.11 H new ATOM 0 HG22 ILE A 95 8.082 -3.101 13.671 1.00 43.11 H new ATOM 0 HG23 ILE A 95 8.678 -2.066 12.351 1.00 43.11 H new ATOM 0 HD11 ILE A 95 7.120 0.697 10.498 1.00 74.33 H new ATOM 0 HD12 ILE A 95 8.339 -0.385 11.213 1.00 74.33 H new ATOM 0 HD13 ILE A 95 7.105 -1.040 10.111 1.00 74.33 H new