USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=11 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 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -123:sc= -0.752 (180deg=-3.65!) 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 -44:sc= -0.122 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -154:sc= -0.0732 (180deg=-0.376) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 157:sc= -0.565 (180deg=-1.34) USER MOD Single : A 74 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00742) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -124:sc= -3.28 (180deg=-5.3!) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 91 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.9!) USER MOD Single : A 93 SER OG : rot 88:sc= 0.347 USER MOD Single : A 94 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 10.354 -3.157 16.534 1.00 21.41 N ATOM 165 CA ARG A 12 10.466 -3.070 17.985 1.00 24.10 C ATOM 166 C ARG A 12 9.846 -1.775 18.501 1.00 31.24 C ATOM 167 O ARG A 12 9.083 -1.784 19.467 1.00 42.41 O ATOM 168 CB ARG A 12 11.934 -3.150 18.410 1.00 13.01 C ATOM 169 CG ARG A 12 12.862 -2.298 17.559 1.00 34.41 C ATOM 170 CD ARG A 12 13.940 -3.141 16.896 1.00 31.23 C ATOM 171 NE ARG A 12 15.283 -2.679 17.237 1.00 54.54 N ATOM 172 CZ ARG A 12 16.390 -3.339 16.917 1.00 3.45 C ATOM 173 NH1 ARG A 12 16.316 -4.484 16.253 1.00 15.25 N ATOM 174 NH2 ARG A 12 17.576 -2.853 17.262 1.00 21.13 N ATOM 0 HA ARG A 12 9.923 -3.910 18.418 1.00 24.10 H new ATOM 0 HB2 ARG A 12 12.020 -2.837 19.451 1.00 13.01 H new ATOM 0 HB3 ARG A 12 12.261 -4.189 18.361 1.00 13.01 H new ATOM 0 HG2 ARG A 12 12.283 -1.779 16.795 1.00 34.41 H new ATOM 0 HG3 ARG A 12 13.328 -1.533 18.180 1.00 34.41 H new ATOM 0 HD2 ARG A 12 13.826 -4.181 17.202 1.00 31.23 H new ATOM 0 HD3 ARG A 12 13.810 -3.110 15.814 1.00 31.23 H new ATOM 0 HE ARG A 12 15.376 -1.802 17.749 1.00 54.54 H new ATOM 0 HH11 ARG A 12 15.407 -4.861 15.986 1.00 15.25 H new ATOM 0 HH12 ARG A 12 17.169 -4.988 16.009 1.00 15.25 H new ATOM 0 HH21 ARG A 12 17.637 -1.972 17.773 1.00 21.13 H new ATOM 0 HH22 ARG A 12 18.426 -3.360 17.016 1.00 21.13 H new ATOM 188 N GLU A 13 10.179 -0.665 17.851 1.00 4.31 N ATOM 189 CA GLU A 13 9.656 0.638 18.246 1.00 33.42 C ATOM 190 C GLU A 13 8.184 0.770 17.865 1.00 10.52 C ATOM 191 O GLU A 13 7.471 1.626 18.389 1.00 20.44 O ATOM 192 CB GLU A 13 10.466 1.758 17.592 1.00 44.14 C ATOM 193 CG GLU A 13 11.838 1.959 18.213 1.00 45.34 C ATOM 194 CD GLU A 13 12.138 3.417 18.506 1.00 63.54 C ATOM 195 OE1 GLU A 13 12.301 4.195 17.543 1.00 73.32 O ATOM 196 OE2 GLU A 13 12.210 3.778 19.699 1.00 41.51 O ATOM 0 H GLU A 13 10.808 -0.641 17.049 1.00 4.31 H new ATOM 0 HA GLU A 13 9.743 0.723 19.329 1.00 33.42 H new ATOM 0 HB2 GLU A 13 10.585 1.537 16.531 1.00 44.14 H new ATOM 0 HB3 GLU A 13 9.905 2.690 17.662 1.00 44.14 H new ATOM 0 HG2 GLU A 13 11.902 1.386 19.138 1.00 45.34 H new ATOM 0 HG3 GLU A 13 12.599 1.563 17.540 1.00 45.34 H new ATOM 203 N ALA A 14 7.737 -0.082 16.949 1.00 51.34 N ATOM 204 CA ALA A 14 6.351 -0.061 16.498 1.00 32.20 C ATOM 205 C ALA A 14 5.414 -0.588 17.580 1.00 61.33 C ATOM 206 O ALA A 14 4.285 -0.117 17.722 1.00 41.54 O ATOM 207 CB ALA A 14 6.199 -0.876 15.222 1.00 34.12 C ATOM 0 H ALA A 14 8.314 -0.796 16.504 1.00 51.34 H new ATOM 0 HA ALA A 14 6.078 0.973 16.290 1.00 32.20 H new ATOM 0 HB1 ALA A 14 5.159 -0.852 14.896 1.00 34.12 H new ATOM 0 HB2 ALA A 14 6.833 -0.453 14.443 1.00 34.12 H new ATOM 0 HB3 ALA A 14 6.496 -1.908 15.412 1.00 34.12 H new ATOM 213 N LEU A 15 5.888 -1.569 18.340 1.00 44.01 N ATOM 214 CA LEU A 15 5.092 -2.161 19.409 1.00 24.34 C ATOM 215 C LEU A 15 5.070 -1.256 20.637 1.00 24.20 C ATOM 216 O LEU A 15 4.060 -1.163 21.335 1.00 31.53 O ATOM 217 CB LEU A 15 5.649 -3.536 19.785 1.00 40.31 C ATOM 218 CG LEU A 15 6.826 -3.539 20.760 1.00 24.45 C ATOM 219 CD1 LEU A 15 6.330 -3.629 22.195 1.00 24.23 C ATOM 220 CD2 LEU A 15 7.774 -4.689 20.449 1.00 53.22 C ATOM 0 H LEU A 15 6.820 -1.971 18.236 1.00 44.01 H new ATOM 0 HA LEU A 15 4.070 -2.276 19.047 1.00 24.34 H new ATOM 0 HB2 LEU A 15 4.842 -4.126 20.219 1.00 40.31 H new ATOM 0 HB3 LEU A 15 5.959 -4.043 18.871 1.00 40.31 H new ATOM 0 HG LEU A 15 7.372 -2.603 20.643 1.00 24.45 H new ATOM 0 HD11 LEU A 15 7.182 -3.630 22.875 1.00 24.23 H new ATOM 0 HD12 LEU A 15 5.692 -2.773 22.414 1.00 24.23 H new ATOM 0 HD13 LEU A 15 5.760 -4.549 22.326 1.00 24.23 H new ATOM 0 HD21 LEU A 15 8.606 -4.675 21.153 1.00 53.22 H new ATOM 0 HD22 LEU A 15 7.240 -5.635 20.537 1.00 53.22 H new ATOM 0 HD23 LEU A 15 8.156 -4.581 19.434 1.00 53.22 H new ATOM 232 N LEU A 16 6.190 -0.589 20.894 1.00 50.14 N ATOM 233 CA LEU A 16 6.299 0.312 22.036 1.00 22.31 C ATOM 234 C LEU A 16 5.419 1.543 21.845 1.00 22.20 C ATOM 235 O LEU A 16 4.774 2.008 22.784 1.00 0.44 O ATOM 236 CB LEU A 16 7.755 0.737 22.238 1.00 55.32 C ATOM 237 CG LEU A 16 8.790 -0.388 22.233 1.00 72.03 C ATOM 238 CD1 LEU A 16 10.161 0.150 21.856 1.00 43.12 C ATOM 239 CD2 LEU A 16 8.839 -1.074 23.590 1.00 14.12 C ATOM 0 H LEU A 16 7.035 -0.655 20.327 1.00 50.14 H new ATOM 0 HA LEU A 16 5.956 -0.222 22.923 1.00 22.31 H new ATOM 0 HB2 LEU A 16 8.017 1.448 21.454 1.00 55.32 H new ATOM 0 HB3 LEU A 16 7.829 1.267 23.187 1.00 55.32 H new ATOM 0 HG LEU A 16 8.494 -1.125 21.486 1.00 72.03 H new ATOM 0 HD11 LEU A 16 10.885 -0.665 21.858 1.00 43.12 H new ATOM 0 HD12 LEU A 16 10.117 0.594 20.861 1.00 43.12 H new ATOM 0 HD13 LEU A 16 10.466 0.907 22.578 1.00 43.12 H new ATOM 0 HD21 LEU A 16 9.581 -1.872 23.568 1.00 14.12 H new ATOM 0 HD22 LEU A 16 9.111 -0.347 24.356 1.00 14.12 H new ATOM 0 HD23 LEU A 16 7.860 -1.495 23.820 1.00 14.12 H new ATOM 251 N TRP A 17 5.397 2.063 20.623 1.00 14.35 N ATOM 252 CA TRP A 17 4.594 3.240 20.309 1.00 75.52 C ATOM 253 C TRP A 17 3.113 2.883 20.229 1.00 64.41 C ATOM 254 O TRP A 17 2.251 3.689 20.576 1.00 5.32 O ATOM 255 CB TRP A 17 5.054 3.858 18.988 1.00 53.13 C ATOM 256 CG TRP A 17 5.666 5.216 19.149 1.00 1.43 C ATOM 257 CD1 TRP A 17 6.938 5.587 18.816 1.00 14.11 C ATOM 258 CD2 TRP A 17 5.034 6.383 19.686 1.00 15.31 C ATOM 259 NE1 TRP A 17 7.134 6.914 19.114 1.00 54.25 N ATOM 260 CE2 TRP A 17 5.980 7.426 19.647 1.00 24.54 C ATOM 261 CE3 TRP A 17 3.759 6.650 20.194 1.00 61.25 C ATOM 262 CZ2 TRP A 17 5.691 8.711 20.098 1.00 21.32 C ATOM 263 CZ3 TRP A 17 3.474 7.926 20.641 1.00 73.32 C ATOM 264 CH2 TRP A 17 4.436 8.943 20.590 1.00 14.41 C ATOM 0 H TRP A 17 5.925 1.689 19.834 1.00 14.35 H new ATOM 0 HA TRP A 17 4.731 3.967 21.110 1.00 75.52 H new ATOM 0 HB2 TRP A 17 5.779 3.194 18.518 1.00 53.13 H new ATOM 0 HB3 TRP A 17 4.202 3.929 18.312 1.00 53.13 H new ATOM 0 HD1 TRP A 17 7.680 4.933 18.382 1.00 14.11 H new ATOM 0 HE1 TRP A 17 7.999 7.434 18.963 1.00 54.25 H new ATOM 0 HE3 TRP A 17 3.010 5.873 20.236 1.00 61.25 H new ATOM 0 HZ2 TRP A 17 6.431 9.497 20.061 1.00 21.32 H new ATOM 0 HZ3 TRP A 17 2.493 8.143 21.036 1.00 73.32 H new ATOM 0 HH2 TRP A 17 4.182 9.930 20.946 1.00 14.41 H new ATOM 275 N ALA A 18 2.826 1.669 19.770 1.00 54.14 N ATOM 276 CA ALA A 18 1.449 1.205 19.647 1.00 42.42 C ATOM 277 C ALA A 18 0.856 0.877 21.013 1.00 45.21 C ATOM 278 O ALA A 18 -0.113 1.501 21.446 1.00 32.04 O ATOM 279 CB ALA A 18 1.381 -0.010 18.734 1.00 23.11 C ATOM 0 H ALA A 18 3.528 0.989 19.477 1.00 54.14 H new ATOM 0 HA ALA A 18 0.859 2.009 19.208 1.00 42.42 H new ATOM 0 HB1 ALA A 18 0.347 -0.346 18.651 1.00 23.11 H new ATOM 0 HB2 ALA A 18 1.756 0.256 17.746 1.00 23.11 H new ATOM 0 HB3 ALA A 18 1.991 -0.812 19.150 1.00 23.11 H new ATOM 285 N LEU A 19 1.444 -0.105 21.687 1.00 60.21 N ATOM 286 CA LEU A 19 0.973 -0.517 23.005 1.00 63.01 C ATOM 287 C LEU A 19 0.883 0.678 23.949 1.00 73.14 C ATOM 288 O LEU A 19 0.103 0.672 24.901 1.00 31.41 O ATOM 289 CB LEU A 19 1.907 -1.577 23.593 1.00 14.54 C ATOM 290 CG LEU A 19 3.232 -1.064 24.158 1.00 63.55 C ATOM 291 CD1 LEU A 19 3.042 -0.533 25.570 1.00 72.13 C ATOM 292 CD2 LEU A 19 4.282 -2.166 24.137 1.00 34.44 C ATOM 0 H LEU A 19 2.248 -0.631 21.343 1.00 60.21 H new ATOM 0 HA LEU A 19 -0.024 -0.942 22.891 1.00 63.01 H new ATOM 0 HB2 LEU A 19 1.375 -2.101 24.387 1.00 14.54 H new ATOM 0 HB3 LEU A 19 2.125 -2.311 22.817 1.00 14.54 H new ATOM 0 HG LEU A 19 3.580 -0.245 23.529 1.00 63.55 H new ATOM 0 HD11 LEU A 19 3.996 -0.173 25.955 1.00 72.13 H new ATOM 0 HD12 LEU A 19 2.323 0.286 25.557 1.00 72.13 H new ATOM 0 HD13 LEU A 19 2.670 -1.332 26.212 1.00 72.13 H new ATOM 0 HD21 LEU A 19 5.219 -1.784 24.543 1.00 34.44 H new ATOM 0 HD22 LEU A 19 3.940 -3.006 24.742 1.00 34.44 H new ATOM 0 HD23 LEU A 19 4.440 -2.499 23.111 1.00 34.44 H new ATOM 304 N SER A 20 1.684 1.703 23.676 1.00 31.20 N ATOM 305 CA SER A 20 1.695 2.905 24.502 1.00 64.33 C ATOM 306 C SER A 20 0.709 3.940 23.969 1.00 61.55 C ATOM 307 O SER A 20 0.313 4.861 24.682 1.00 1.22 O ATOM 308 CB SER A 20 3.103 3.502 24.550 1.00 52.51 C ATOM 309 OG SER A 20 3.113 4.725 25.266 1.00 4.20 O ATOM 0 H SER A 20 2.333 1.725 22.890 1.00 31.20 H new ATOM 0 HA SER A 20 1.391 2.626 25.511 1.00 64.33 H new ATOM 0 HB2 SER A 20 3.786 2.795 25.022 1.00 52.51 H new ATOM 0 HB3 SER A 20 3.466 3.668 23.536 1.00 52.51 H new ATOM 0 HG SER A 20 4.024 5.086 25.284 1.00 4.20 H new ATOM 315 N ASP A 21 0.317 3.780 22.709 1.00 20.24 N ATOM 316 CA ASP A 21 -0.624 4.699 22.079 1.00 22.32 C ATOM 317 C ASP A 21 -2.022 4.533 22.667 1.00 4.44 C ATOM 318 O ASP A 21 -2.926 5.318 22.377 1.00 61.44 O ATOM 319 CB ASP A 21 -0.662 4.466 20.568 1.00 71.00 C ATOM 320 CG ASP A 21 -0.197 5.677 19.784 1.00 40.23 C ATOM 321 OD1 ASP A 21 -0.599 6.805 20.139 1.00 11.04 O ATOM 322 OD2 ASP A 21 0.570 5.497 18.815 1.00 52.51 O ATOM 0 H ASP A 21 0.636 3.023 22.105 1.00 20.24 H new ATOM 0 HA ASP A 21 -0.286 5.717 22.274 1.00 22.32 H new ATOM 0 HB2 ASP A 21 -0.032 3.612 20.319 1.00 71.00 H new ATOM 0 HB3 ASP A 21 -1.678 4.211 20.268 1.00 71.00 H new ATOM 327 N LEU A 22 -2.192 3.508 23.495 1.00 51.32 N ATOM 328 CA LEU A 22 -3.481 3.239 24.124 1.00 65.22 C ATOM 329 C LEU A 22 -3.428 3.531 25.620 1.00 42.01 C ATOM 330 O LEU A 22 -2.354 3.551 26.220 1.00 1.31 O ATOM 331 CB LEU A 22 -3.889 1.783 23.891 1.00 55.31 C ATOM 332 CG LEU A 22 -2.746 0.789 23.686 1.00 2.34 C ATOM 333 CD1 LEU A 22 -3.018 -0.501 24.444 1.00 10.11 C ATOM 334 CD2 LEU A 22 -2.543 0.507 22.205 1.00 42.21 C ATOM 0 H LEU A 22 -1.454 2.850 23.746 1.00 51.32 H new ATOM 0 HA LEU A 22 -4.224 3.896 23.671 1.00 65.22 H new ATOM 0 HB2 LEU A 22 -4.482 1.452 24.743 1.00 55.31 H new ATOM 0 HB3 LEU A 22 -4.538 1.744 23.016 1.00 55.31 H new ATOM 0 HG LEU A 22 -1.831 1.231 24.079 1.00 2.34 H new ATOM 0 HD11 LEU A 22 -2.194 -1.196 24.286 1.00 10.11 H new ATOM 0 HD12 LEU A 22 -3.112 -0.285 25.508 1.00 10.11 H new ATOM 0 HD13 LEU A 22 -3.944 -0.948 24.082 1.00 10.11 H new ATOM 0 HD21 LEU A 22 -1.725 -0.203 22.078 1.00 42.21 H new ATOM 0 HD22 LEU A 22 -3.457 0.086 21.786 1.00 42.21 H new ATOM 0 HD23 LEU A 22 -2.301 1.435 21.688 1.00 42.21 H new ATOM 346 N GLU A 23 -4.595 3.755 26.216 1.00 71.44 N ATOM 347 CA GLU A 23 -4.681 4.044 27.642 1.00 1.11 C ATOM 348 C GLU A 23 -4.281 2.826 28.470 1.00 62.15 C ATOM 349 O GLU A 23 -4.482 1.686 28.051 1.00 5.22 O ATOM 350 CB GLU A 23 -6.100 4.482 28.012 1.00 63.31 C ATOM 351 CG GLU A 23 -6.469 5.858 27.484 1.00 72.20 C ATOM 352 CD GLU A 23 -7.960 6.128 27.552 1.00 22.12 C ATOM 353 OE1 GLU A 23 -8.705 5.230 27.998 1.00 1.10 O ATOM 354 OE2 GLU A 23 -8.381 7.236 27.160 1.00 72.20 O ATOM 0 H GLU A 23 -5.493 3.742 25.733 1.00 71.44 H new ATOM 0 HA GLU A 23 -3.988 4.856 27.864 1.00 1.11 H new ATOM 0 HB2 GLU A 23 -6.810 3.751 27.624 1.00 63.31 H new ATOM 0 HB3 GLU A 23 -6.201 4.479 29.097 1.00 63.31 H new ATOM 0 HG2 GLU A 23 -5.939 6.618 28.059 1.00 72.20 H new ATOM 0 HG3 GLU A 23 -6.134 5.949 26.451 1.00 72.20 H new ATOM 361 N GLU A 24 -3.713 3.077 29.645 1.00 33.32 N ATOM 362 CA GLU A 24 -3.284 2.001 30.530 1.00 23.44 C ATOM 363 C GLU A 24 -4.447 1.070 30.860 1.00 72.34 C ATOM 364 O GLU A 24 -4.270 -0.141 30.989 1.00 3.31 O ATOM 365 CB GLU A 24 -2.696 2.576 31.821 1.00 65.43 C ATOM 366 CG GLU A 24 -3.543 3.675 32.439 1.00 42.13 C ATOM 367 CD GLU A 24 -2.832 5.014 32.464 1.00 13.53 C ATOM 368 OE1 GLU A 24 -1.594 5.025 32.625 1.00 2.33 O ATOM 369 OE2 GLU A 24 -3.514 6.051 32.324 1.00 41.22 O ATOM 0 H GLU A 24 -3.539 4.015 30.006 1.00 33.32 H new ATOM 0 HA GLU A 24 -2.516 1.426 30.013 1.00 23.44 H new ATOM 0 HB2 GLU A 24 -2.576 1.771 32.546 1.00 65.43 H new ATOM 0 HB3 GLU A 24 -1.701 2.969 31.613 1.00 65.43 H new ATOM 0 HG2 GLU A 24 -4.472 3.772 31.878 1.00 42.13 H new ATOM 0 HG3 GLU A 24 -3.813 3.392 33.456 1.00 42.13 H new ATOM 376 N ASN A 25 -5.638 1.645 30.994 1.00 22.11 N ATOM 377 CA ASN A 25 -6.831 0.868 31.309 1.00 21.34 C ATOM 378 C ASN A 25 -7.301 0.075 30.093 1.00 1.24 C ATOM 379 O ASN A 25 -8.349 -0.570 30.127 1.00 24.45 O ATOM 380 CB ASN A 25 -7.951 1.789 31.796 1.00 53.11 C ATOM 381 CG ASN A 25 -7.535 2.625 32.991 1.00 44.15 C ATOM 382 OD1 ASN A 25 -6.843 2.144 33.888 1.00 32.32 O ATOM 383 ND2 ASN A 25 -7.955 3.885 33.007 1.00 70.44 N ATOM 0 H ASN A 25 -5.802 2.646 30.889 1.00 22.11 H new ATOM 0 HA ASN A 25 -6.577 0.165 32.102 1.00 21.34 H new ATOM 0 HB2 ASN A 25 -8.254 2.448 30.983 1.00 53.11 H new ATOM 0 HB3 ASN A 25 -8.821 1.189 32.061 1.00 53.11 H new ATOM 0 HD21 ASN A 25 -7.705 4.496 33.785 1.00 70.44 H new ATOM 0 HD22 ASN A 25 -8.527 4.242 32.242 1.00 70.44 H new ATOM 390 N ASP A 26 -6.519 0.129 29.021 1.00 62.30 N ATOM 391 CA ASP A 26 -6.853 -0.585 27.794 1.00 34.22 C ATOM 392 C ASP A 26 -5.872 -1.726 27.545 1.00 71.33 C ATOM 393 O ASP A 26 -6.273 -2.877 27.371 1.00 73.22 O ATOM 394 CB ASP A 26 -6.852 0.375 26.604 1.00 60.24 C ATOM 395 CG ASP A 26 -7.864 1.493 26.760 1.00 72.51 C ATOM 396 OD1 ASP A 26 -8.529 1.548 27.816 1.00 75.34 O ATOM 397 OD2 ASP A 26 -7.991 2.313 25.827 1.00 65.30 O ATOM 0 H ASP A 26 -5.649 0.660 28.976 1.00 62.30 H new ATOM 0 HA ASP A 26 -7.851 -1.007 27.909 1.00 34.22 H new ATOM 0 HB2 ASP A 26 -5.857 0.804 26.488 1.00 60.24 H new ATOM 0 HB3 ASP A 26 -7.068 -0.182 25.692 1.00 60.24 H new ATOM 402 N PHE A 27 -4.584 -1.399 27.527 1.00 32.13 N ATOM 403 CA PHE A 27 -3.545 -2.396 27.297 1.00 72.12 C ATOM 404 C PHE A 27 -3.525 -3.430 28.419 1.00 75.34 C ATOM 405 O PHE A 27 -3.347 -4.624 28.175 1.00 33.14 O ATOM 406 CB PHE A 27 -2.177 -1.721 27.186 1.00 24.00 C ATOM 407 CG PHE A 27 -1.250 -2.055 28.320 1.00 40.00 C ATOM 408 CD1 PHE A 27 -1.234 -1.282 29.469 1.00 4.44 C ATOM 409 CD2 PHE A 27 -0.395 -3.142 28.236 1.00 22.01 C ATOM 410 CE1 PHE A 27 -0.382 -1.586 30.515 1.00 73.30 C ATOM 411 CE2 PHE A 27 0.458 -3.452 29.278 1.00 2.24 C ATOM 412 CZ PHE A 27 0.465 -2.672 30.419 1.00 64.43 C ATOM 0 H PHE A 27 -4.235 -0.451 27.669 1.00 32.13 H new ATOM 0 HA PHE A 27 -3.768 -2.907 26.360 1.00 72.12 H new ATOM 0 HB2 PHE A 27 -1.710 -2.017 26.246 1.00 24.00 H new ATOM 0 HB3 PHE A 27 -2.316 -0.641 27.147 1.00 24.00 H new ATOM 0 HD1 PHE A 27 -1.895 -0.432 29.549 1.00 4.44 H new ATOM 0 HD2 PHE A 27 -0.395 -3.754 27.346 1.00 22.01 H new ATOM 0 HE1 PHE A 27 -0.379 -0.975 31.405 1.00 73.30 H new ATOM 0 HE2 PHE A 27 1.119 -4.303 29.201 1.00 2.24 H new ATOM 0 HZ PHE A 27 1.132 -2.912 31.234 1.00 64.43 H new ATOM 422 N LYS A 28 -3.709 -2.963 29.649 1.00 72.41 N ATOM 423 CA LYS A 28 -3.714 -3.846 30.810 1.00 44.52 C ATOM 424 C LYS A 28 -4.827 -4.882 30.701 1.00 31.41 C ATOM 425 O LYS A 28 -4.614 -6.067 30.962 1.00 55.32 O ATOM 426 CB LYS A 28 -3.884 -3.031 32.094 1.00 32.12 C ATOM 427 CG LYS A 28 -4.151 -3.883 33.323 1.00 5.45 C ATOM 428 CD LYS A 28 -4.348 -3.026 34.563 1.00 71.21 C ATOM 429 CE LYS A 28 -5.735 -3.218 35.158 1.00 63.40 C ATOM 430 NZ LYS A 28 -6.412 -1.918 35.417 1.00 54.14 N ATOM 0 H LYS A 28 -3.857 -1.978 29.868 1.00 72.41 H new ATOM 0 HA LYS A 28 -2.758 -4.369 30.842 1.00 44.52 H new ATOM 0 HB2 LYS A 28 -2.984 -2.439 32.261 1.00 32.12 H new ATOM 0 HB3 LYS A 28 -4.707 -2.329 31.963 1.00 32.12 H new ATOM 0 HG2 LYS A 28 -5.038 -4.494 33.157 1.00 5.45 H new ATOM 0 HG3 LYS A 28 -3.317 -4.567 33.481 1.00 5.45 H new ATOM 0 HD2 LYS A 28 -3.593 -3.281 35.307 1.00 71.21 H new ATOM 0 HD3 LYS A 28 -4.202 -1.976 34.308 1.00 71.21 H new ATOM 0 HE2 LYS A 28 -6.343 -3.815 34.478 1.00 63.40 H new ATOM 0 HE3 LYS A 28 -5.656 -3.778 36.090 1.00 63.40 H new ATOM 0 HZ1 LYS A 28 -7.354 -2.092 35.822 1.00 54.14 H new ATOM 0 HZ2 LYS A 28 -5.845 -1.359 36.086 1.00 54.14 H new ATOM 0 HZ3 LYS A 28 -6.510 -1.394 34.524 1.00 54.14 H new ATOM 444 N LYS A 29 -6.015 -4.430 30.313 1.00 23.03 N ATOM 445 CA LYS A 29 -7.162 -5.318 30.167 1.00 63.20 C ATOM 446 C LYS A 29 -6.834 -6.481 29.236 1.00 52.03 C ATOM 447 O LYS A 29 -7.291 -7.605 29.445 1.00 34.43 O ATOM 448 CB LYS A 29 -8.367 -4.544 29.629 1.00 50.21 C ATOM 449 CG LYS A 29 -9.476 -4.358 30.650 1.00 21.01 C ATOM 450 CD LYS A 29 -9.058 -3.408 31.760 1.00 54.21 C ATOM 451 CE LYS A 29 -10.266 -2.801 32.458 1.00 60.02 C ATOM 452 NZ LYS A 29 -10.676 -3.596 33.648 1.00 31.03 N ATOM 0 H LYS A 29 -6.208 -3.453 30.094 1.00 23.03 H new ATOM 0 HA LYS A 29 -7.406 -5.720 31.150 1.00 63.20 H new ATOM 0 HB2 LYS A 29 -8.035 -3.565 29.284 1.00 50.21 H new ATOM 0 HB3 LYS A 29 -8.767 -5.069 28.762 1.00 50.21 H new ATOM 0 HG2 LYS A 29 -10.367 -3.971 30.155 1.00 21.01 H new ATOM 0 HG3 LYS A 29 -9.744 -5.324 31.078 1.00 21.01 H new ATOM 0 HD2 LYS A 29 -8.447 -3.943 32.487 1.00 54.21 H new ATOM 0 HD3 LYS A 29 -8.438 -2.613 31.346 1.00 54.21 H new ATOM 0 HE2 LYS A 29 -10.034 -1.781 32.765 1.00 60.02 H new ATOM 0 HE3 LYS A 29 -11.098 -2.741 31.757 1.00 60.02 H new ATOM 0 HZ1 LYS A 29 -11.502 -3.150 34.096 1.00 31.03 H new ATOM 0 HZ2 LYS A 29 -10.922 -4.562 33.352 1.00 31.03 H new ATOM 0 HZ3 LYS A 29 -9.891 -3.632 34.329 1.00 31.03 H new ATOM 466 N LEU A 30 -6.039 -6.204 28.208 1.00 13.10 N ATOM 467 CA LEU A 30 -5.649 -7.228 27.245 1.00 41.20 C ATOM 468 C LEU A 30 -4.618 -8.177 27.847 1.00 2.11 C ATOM 469 O LEU A 30 -4.809 -9.393 27.858 1.00 62.12 O ATOM 470 CB LEU A 30 -5.084 -6.578 25.981 1.00 43.22 C ATOM 471 CG LEU A 30 -5.546 -5.148 25.697 1.00 60.20 C ATOM 472 CD1 LEU A 30 -4.889 -4.616 24.433 1.00 51.11 C ATOM 473 CD2 LEU A 30 -7.062 -5.092 25.577 1.00 41.21 C ATOM 0 H LEU A 30 -5.652 -5.279 28.020 1.00 13.10 H new ATOM 0 HA LEU A 30 -6.537 -7.804 26.984 1.00 41.20 H new ATOM 0 HB2 LEU A 30 -3.996 -6.580 26.051 1.00 43.22 H new ATOM 0 HB3 LEU A 30 -5.350 -7.201 25.127 1.00 43.22 H new ATOM 0 HG LEU A 30 -5.244 -4.516 26.532 1.00 60.20 H new ATOM 0 HD11 LEU A 30 -5.230 -3.597 24.247 1.00 51.11 H new ATOM 0 HD12 LEU A 30 -3.806 -4.620 24.557 1.00 51.11 H new ATOM 0 HD13 LEU A 30 -5.160 -5.249 23.588 1.00 51.11 H new ATOM 0 HD21 LEU A 30 -7.373 -4.067 25.375 1.00 41.21 H new ATOM 0 HD22 LEU A 30 -7.386 -5.737 24.761 1.00 41.21 H new ATOM 0 HD23 LEU A 30 -7.514 -5.431 26.509 1.00 41.21 H new ATOM 485 N LYS A 31 -3.525 -7.613 28.350 1.00 42.11 N ATOM 486 CA LYS A 31 -2.464 -8.407 28.958 1.00 61.32 C ATOM 487 C LYS A 31 -3.004 -9.242 30.114 1.00 30.25 C ATOM 488 O LYS A 31 -2.461 -10.299 30.437 1.00 73.35 O ATOM 489 CB LYS A 31 -1.338 -7.497 29.454 1.00 61.41 C ATOM 490 CG LYS A 31 -0.758 -6.602 28.373 1.00 54.14 C ATOM 491 CD LYS A 31 -0.091 -7.413 27.275 1.00 74.43 C ATOM 492 CE LYS A 31 0.284 -6.541 26.086 1.00 35.14 C ATOM 493 NZ LYS A 31 1.225 -5.454 26.472 1.00 50.43 N ATOM 0 H LYS A 31 -3.351 -6.608 28.348 1.00 42.11 H new ATOM 0 HA LYS A 31 -2.069 -9.082 28.199 1.00 61.32 H new ATOM 0 HB2 LYS A 31 -1.716 -6.875 30.265 1.00 61.41 H new ATOM 0 HB3 LYS A 31 -0.541 -8.113 29.870 1.00 61.41 H new ATOM 0 HG2 LYS A 31 -1.550 -5.989 27.943 1.00 54.14 H new ATOM 0 HG3 LYS A 31 -0.032 -5.920 28.815 1.00 54.14 H new ATOM 0 HD2 LYS A 31 0.803 -7.895 27.670 1.00 74.43 H new ATOM 0 HD3 LYS A 31 -0.763 -8.206 26.948 1.00 74.43 H new ATOM 0 HE2 LYS A 31 0.740 -7.158 25.312 1.00 35.14 H new ATOM 0 HE3 LYS A 31 -0.618 -6.105 25.656 1.00 35.14 H new ATOM 0 HZ1 LYS A 31 0.814 -4.533 26.219 1.00 50.43 H new ATOM 0 HZ2 LYS A 31 1.393 -5.488 27.498 1.00 50.43 H new ATOM 0 HZ3 LYS A 31 2.127 -5.581 25.970 1.00 50.43 H new ATOM 507 N PHE A 32 -4.076 -8.762 30.735 1.00 55.31 N ATOM 508 CA PHE A 32 -4.690 -9.464 31.856 1.00 73.44 C ATOM 509 C PHE A 32 -5.345 -10.762 31.391 1.00 53.10 C ATOM 510 O PHE A 32 -5.208 -11.804 32.033 1.00 40.25 O ATOM 511 CB PHE A 32 -5.729 -8.571 32.538 1.00 62.52 C ATOM 512 CG PHE A 32 -6.350 -9.196 33.754 1.00 22.14 C ATOM 513 CD1 PHE A 32 -5.577 -9.505 34.862 1.00 64.10 C ATOM 514 CD2 PHE A 32 -7.707 -9.474 33.791 1.00 43.22 C ATOM 515 CE1 PHE A 32 -6.146 -10.081 35.982 1.00 4.43 C ATOM 516 CE2 PHE A 32 -8.281 -10.049 34.909 1.00 54.14 C ATOM 517 CZ PHE A 32 -7.500 -10.352 36.006 1.00 2.32 C ATOM 0 H PHE A 32 -4.538 -7.889 30.481 1.00 55.31 H new ATOM 0 HA PHE A 32 -3.906 -9.709 32.572 1.00 73.44 H new ATOM 0 HB2 PHE A 32 -5.257 -7.631 32.823 1.00 62.52 H new ATOM 0 HB3 PHE A 32 -6.515 -8.329 31.822 1.00 62.52 H new ATOM 0 HD1 PHE A 32 -4.518 -9.293 34.850 1.00 64.10 H new ATOM 0 HD2 PHE A 32 -8.323 -9.239 32.936 1.00 43.22 H new ATOM 0 HE1 PHE A 32 -5.532 -10.319 36.838 1.00 4.43 H new ATOM 0 HE2 PHE A 32 -9.340 -10.261 34.924 1.00 54.14 H new ATOM 0 HZ PHE A 32 -7.947 -10.800 36.881 1.00 2.32 H new ATOM 527 N TYR A 33 -6.058 -10.690 30.272 1.00 22.03 N ATOM 528 CA TYR A 33 -6.737 -11.857 29.722 1.00 31.25 C ATOM 529 C TYR A 33 -5.889 -12.523 28.643 1.00 51.20 C ATOM 530 O TYR A 33 -5.582 -13.713 28.724 1.00 42.13 O ATOM 531 CB TYR A 33 -8.096 -11.458 29.145 1.00 0.41 C ATOM 532 CG TYR A 33 -9.270 -11.989 29.936 1.00 0.32 C ATOM 533 CD1 TYR A 33 -9.321 -11.853 31.318 1.00 44.21 C ATOM 534 CD2 TYR A 33 -10.329 -12.626 29.301 1.00 13.33 C ATOM 535 CE1 TYR A 33 -10.391 -12.337 32.045 1.00 61.35 C ATOM 536 CE2 TYR A 33 -11.404 -13.112 30.020 1.00 54.02 C ATOM 537 CZ TYR A 33 -11.430 -12.966 31.391 1.00 13.11 C ATOM 538 OH TYR A 33 -12.499 -13.449 32.111 1.00 1.42 O ATOM 0 H TYR A 33 -6.180 -9.836 29.728 1.00 22.03 H new ATOM 0 HA TYR A 33 -6.889 -12.572 30.531 1.00 31.25 H new ATOM 0 HB2 TYR A 33 -8.159 -10.371 29.104 1.00 0.41 H new ATOM 0 HB3 TYR A 33 -8.166 -11.820 28.119 1.00 0.41 H new ATOM 0 HD1 TYR A 33 -8.510 -11.360 31.833 1.00 44.21 H new ATOM 0 HD2 TYR A 33 -10.312 -12.743 28.228 1.00 13.33 H new ATOM 0 HE1 TYR A 33 -10.414 -12.224 33.119 1.00 61.35 H new ATOM 0 HE2 TYR A 33 -12.220 -13.604 29.511 1.00 54.02 H new ATOM 0 HH TYR A 33 -13.145 -13.863 31.501 1.00 1.42 H new ATOM 548 N LEU A 34 -5.513 -11.746 27.633 1.00 72.21 N ATOM 549 CA LEU A 34 -4.699 -12.258 26.536 1.00 74.32 C ATOM 550 C LEU A 34 -3.430 -12.921 27.062 1.00 14.13 C ATOM 551 O LEU A 34 -3.191 -14.104 26.822 1.00 63.31 O ATOM 552 CB LEU A 34 -4.336 -11.127 25.573 1.00 3.51 C ATOM 553 CG LEU A 34 -5.424 -10.713 24.581 1.00 24.42 C ATOM 554 CD1 LEU A 34 -5.830 -11.894 23.712 1.00 10.44 C ATOM 555 CD2 LEU A 34 -6.630 -10.150 25.317 1.00 35.24 C ATOM 0 H LEU A 34 -5.759 -10.759 27.551 1.00 72.21 H new ATOM 0 HA LEU A 34 -5.283 -13.008 26.002 1.00 74.32 H new ATOM 0 HB2 LEU A 34 -4.057 -10.252 26.161 1.00 3.51 H new ATOM 0 HB3 LEU A 34 -3.453 -11.427 25.009 1.00 3.51 H new ATOM 0 HG LEU A 34 -5.022 -9.933 23.934 1.00 24.42 H new ATOM 0 HD11 LEU A 34 -6.605 -11.581 23.012 1.00 10.44 H new ATOM 0 HD12 LEU A 34 -4.963 -12.252 23.157 1.00 10.44 H new ATOM 0 HD13 LEU A 34 -6.213 -12.696 24.343 1.00 10.44 H new ATOM 0 HD21 LEU A 34 -7.394 -9.861 24.596 1.00 35.24 H new ATOM 0 HD22 LEU A 34 -7.033 -10.908 25.988 1.00 35.24 H new ATOM 0 HD23 LEU A 34 -6.328 -9.277 25.896 1.00 35.24 H new ATOM 567 N ARG A 35 -2.622 -12.151 27.783 1.00 12.41 N ATOM 568 CA ARG A 35 -1.378 -12.663 28.345 1.00 72.23 C ATOM 569 C ARG A 35 -1.650 -13.816 29.307 1.00 74.15 C ATOM 570 O ARG A 35 -0.907 -14.797 29.342 1.00 1.31 O ATOM 571 CB ARG A 35 -0.623 -11.548 29.070 1.00 52.44 C ATOM 572 CG ARG A 35 0.848 -11.465 28.696 1.00 53.03 C ATOM 573 CD ARG A 35 1.741 -11.584 29.920 1.00 3.44 C ATOM 574 NE ARG A 35 2.123 -10.276 30.448 1.00 32.54 N ATOM 575 CZ ARG A 35 3.207 -10.071 31.188 1.00 14.43 C ATOM 576 NH1 ARG A 35 4.012 -11.081 31.486 1.00 41.24 N ATOM 577 NH2 ARG A 35 3.487 -8.852 31.632 1.00 53.20 N ATOM 0 H ARG A 35 -2.807 -11.170 27.992 1.00 12.41 H new ATOM 0 HA ARG A 35 -0.764 -13.034 27.524 1.00 72.23 H new ATOM 0 HB2 ARG A 35 -1.100 -10.594 28.847 1.00 52.44 H new ATOM 0 HB3 ARG A 35 -0.707 -11.703 30.146 1.00 52.44 H new ATOM 0 HG2 ARG A 35 1.090 -12.259 27.989 1.00 53.03 H new ATOM 0 HG3 ARG A 35 1.044 -10.518 28.192 1.00 53.03 H new ATOM 0 HD2 ARG A 35 1.222 -12.150 30.694 1.00 3.44 H new ATOM 0 HD3 ARG A 35 2.638 -12.147 29.661 1.00 3.44 H new ATOM 0 HE ARG A 35 1.525 -9.477 30.237 1.00 32.54 H new ATOM 0 HH11 ARG A 35 3.800 -12.019 31.147 1.00 41.24 H new ATOM 0 HH12 ARG A 35 4.843 -10.920 32.054 1.00 41.24 H new ATOM 0 HH21 ARG A 35 2.870 -8.072 31.405 1.00 53.20 H new ATOM 0 HH22 ARG A 35 4.319 -8.695 32.200 1.00 53.20 H new ATOM 591 N ASP A 36 -2.720 -13.691 30.085 1.00 43.54 N ATOM 592 CA ASP A 36 -3.091 -14.722 31.047 1.00 43.24 C ATOM 593 C ASP A 36 -3.159 -16.091 30.377 1.00 43.33 C ATOM 594 O ASP A 36 -2.562 -17.056 30.853 1.00 43.33 O ATOM 595 CB ASP A 36 -4.437 -14.388 31.691 1.00 51.13 C ATOM 596 CG ASP A 36 -5.208 -15.628 32.097 1.00 71.51 C ATOM 597 OD1 ASP A 36 -4.661 -16.438 32.874 1.00 34.23 O ATOM 598 OD2 ASP A 36 -6.358 -15.790 31.637 1.00 60.14 O ATOM 0 H ASP A 36 -3.346 -12.886 30.068 1.00 43.54 H new ATOM 0 HA ASP A 36 -2.325 -14.754 31.822 1.00 43.24 H new ATOM 0 HB2 ASP A 36 -4.271 -13.763 32.569 1.00 51.13 H new ATOM 0 HB3 ASP A 36 -5.036 -13.804 30.992 1.00 51.13 H new ATOM 603 N MET A 37 -3.891 -16.167 29.270 1.00 12.44 N ATOM 604 CA MET A 37 -4.037 -17.418 28.535 1.00 0.42 C ATOM 605 C MET A 37 -2.921 -17.578 27.508 1.00 41.31 C ATOM 606 O MET A 37 -2.077 -18.467 27.625 1.00 35.40 O ATOM 607 CB MET A 37 -5.398 -17.469 27.839 1.00 72.11 C ATOM 608 CG MET A 37 -6.221 -18.694 28.203 1.00 70.32 C ATOM 609 SD MET A 37 -7.987 -18.343 28.294 1.00 52.03 S ATOM 610 CE MET A 37 -8.409 -18.276 26.554 1.00 1.52 C ATOM 0 H MET A 37 -4.392 -15.377 28.863 1.00 12.44 H new ATOM 0 HA MET A 37 -3.971 -18.240 29.248 1.00 0.42 H new ATOM 0 HB2 MET A 37 -5.962 -16.573 28.096 1.00 72.11 H new ATOM 0 HB3 MET A 37 -5.246 -17.451 26.760 1.00 72.11 H new ATOM 0 HG2 MET A 37 -6.048 -19.476 27.464 1.00 70.32 H new ATOM 0 HG3 MET A 37 -5.882 -19.082 29.163 1.00 70.32 H new ATOM 0 HE1 MET A 37 -9.473 -18.066 26.445 1.00 1.52 H new ATOM 0 HE2 MET A 37 -7.832 -17.488 26.070 1.00 1.52 H new ATOM 0 HE3 MET A 37 -8.179 -19.233 26.087 1.00 1.52 H new ATOM 620 N THR A 38 -2.921 -16.711 26.500 1.00 53.30 N ATOM 621 CA THR A 38 -1.910 -16.757 25.451 1.00 31.15 C ATOM 622 C THR A 38 -0.515 -16.932 26.040 1.00 0.45 C ATOM 623 O THR A 38 0.281 -17.734 25.550 1.00 2.44 O ATOM 624 CB THR A 38 -1.935 -15.480 24.590 1.00 72.41 C ATOM 625 OG1 THR A 38 -1.363 -14.387 25.317 1.00 73.40 O ATOM 626 CG2 THR A 38 -3.358 -15.133 24.178 1.00 21.24 C ATOM 0 H THR A 38 -3.611 -15.968 26.388 1.00 53.30 H new ATOM 0 HA THR A 38 -2.146 -17.615 24.822 1.00 31.15 H new ATOM 0 HB THR A 38 -1.348 -15.664 23.690 1.00 72.41 H new ATOM 0 HG1 THR A 38 -1.700 -14.394 26.237 1.00 73.40 H new ATOM 0 HG21 THR A 38 -3.351 -14.228 23.571 1.00 21.24 H new ATOM 0 HG22 THR A 38 -3.780 -15.955 23.599 1.00 21.24 H new ATOM 0 HG23 THR A 38 -3.965 -14.968 25.068 1.00 21.24 H new ATOM 634 N LEU A 39 -0.224 -16.177 27.095 1.00 74.15 N ATOM 635 CA LEU A 39 1.076 -16.249 27.752 1.00 60.12 C ATOM 636 C LEU A 39 0.951 -16.871 29.139 1.00 64.42 C ATOM 637 O LEU A 39 -0.145 -17.220 29.577 1.00 25.43 O ATOM 638 CB LEU A 39 1.693 -14.853 27.860 1.00 33.40 C ATOM 639 CG LEU A 39 2.566 -14.412 26.685 1.00 73.43 C ATOM 640 CD1 LEU A 39 1.834 -13.388 25.831 1.00 22.22 C ATOM 641 CD2 LEU A 39 3.887 -13.847 27.185 1.00 40.34 C ATOM 0 H LEU A 39 -0.871 -15.508 27.513 1.00 74.15 H new ATOM 0 HA LEU A 39 1.727 -16.881 27.148 1.00 60.12 H new ATOM 0 HB2 LEU A 39 0.886 -14.129 27.979 1.00 33.40 H new ATOM 0 HB3 LEU A 39 2.294 -14.813 28.768 1.00 33.40 H new ATOM 0 HG LEU A 39 2.778 -15.284 26.067 1.00 73.43 H new ATOM 0 HD11 LEU A 39 2.471 -13.086 25.000 1.00 22.22 H new ATOM 0 HD12 LEU A 39 0.915 -13.828 25.443 1.00 22.22 H new ATOM 0 HD13 LEU A 39 1.591 -12.516 26.438 1.00 22.22 H new ATOM 0 HD21 LEU A 39 4.496 -13.538 26.335 1.00 40.34 H new ATOM 0 HD22 LEU A 39 3.695 -12.986 27.826 1.00 40.34 H new ATOM 0 HD23 LEU A 39 4.418 -14.611 27.753 1.00 40.34 H new ATOM 784 N GLY A 49 0.666 3.276 36.076 1.00 11.43 N ATOM 785 CA GLY A 49 1.983 3.853 35.880 1.00 62.35 C ATOM 786 C GLY A 49 2.934 2.901 35.182 1.00 24.52 C ATOM 787 O GLY A 49 4.087 3.244 34.924 1.00 43.23 O ATOM 0 HA2 GLY A 49 1.892 4.767 35.293 1.00 62.35 H new ATOM 0 HA3 GLY A 49 2.400 4.135 36.847 1.00 62.35 H new ATOM 791 N GLU A 50 2.451 1.700 34.879 1.00 72.03 N ATOM 792 CA GLU A 50 3.268 0.695 34.209 1.00 22.14 C ATOM 793 C GLU A 50 3.295 0.931 32.702 1.00 4.31 C ATOM 794 O GLU A 50 4.115 0.354 31.986 1.00 12.02 O ATOM 795 CB GLU A 50 2.736 -0.708 34.507 1.00 33.41 C ATOM 796 CG GLU A 50 3.179 -1.255 35.854 1.00 41.32 C ATOM 797 CD GLU A 50 4.420 -2.120 35.752 1.00 21.32 C ATOM 798 OE1 GLU A 50 4.459 -2.999 34.866 1.00 75.22 O ATOM 799 OE2 GLU A 50 5.352 -1.919 36.559 1.00 70.24 O ATOM 0 H GLU A 50 1.499 1.400 35.087 1.00 72.03 H new ATOM 0 HA GLU A 50 4.286 0.779 34.590 1.00 22.14 H new ATOM 0 HB2 GLU A 50 1.647 -0.689 34.473 1.00 33.41 H new ATOM 0 HB3 GLU A 50 3.068 -1.387 33.722 1.00 33.41 H new ATOM 0 HG2 GLU A 50 3.374 -0.425 36.533 1.00 41.32 H new ATOM 0 HG3 GLU A 50 2.368 -1.839 36.289 1.00 41.32 H new ATOM 806 N LEU A 51 2.394 1.783 32.227 1.00 52.23 N ATOM 807 CA LEU A 51 2.313 2.097 30.804 1.00 32.23 C ATOM 808 C LEU A 51 2.611 3.572 30.554 1.00 61.51 C ATOM 809 O LEU A 51 3.579 3.912 29.874 1.00 33.32 O ATOM 810 CB LEU A 51 0.926 1.746 30.263 1.00 52.13 C ATOM 811 CG LEU A 51 0.652 2.142 28.811 1.00 23.52 C ATOM 812 CD1 LEU A 51 0.810 0.940 27.892 1.00 15.20 C ATOM 813 CD2 LEU A 51 -0.740 2.741 28.675 1.00 3.00 C ATOM 0 H LEU A 51 1.709 2.269 32.806 1.00 52.23 H new ATOM 0 HA LEU A 51 3.062 1.501 30.282 1.00 32.23 H new ATOM 0 HB2 LEU A 51 0.782 0.670 30.358 1.00 52.13 H new ATOM 0 HB3 LEU A 51 0.179 2.225 30.896 1.00 52.13 H new ATOM 0 HG LEU A 51 1.380 2.897 28.516 1.00 23.52 H new ATOM 0 HD11 LEU A 51 0.611 1.240 26.863 1.00 15.20 H new ATOM 0 HD12 LEU A 51 1.827 0.555 27.968 1.00 15.20 H new ATOM 0 HD13 LEU A 51 0.105 0.162 28.186 1.00 15.20 H new ATOM 0 HD21 LEU A 51 -0.917 3.017 27.636 1.00 3.00 H new ATOM 0 HD22 LEU A 51 -1.484 2.008 28.988 1.00 3.00 H new ATOM 0 HD23 LEU A 51 -0.818 3.628 29.304 1.00 3.00 H new ATOM 825 N GLU A 52 1.774 4.442 31.110 1.00 40.03 N ATOM 826 CA GLU A 52 1.950 5.880 30.947 1.00 12.41 C ATOM 827 C GLU A 52 3.128 6.382 31.777 1.00 63.32 C ATOM 828 O GLU A 52 3.909 7.218 31.324 1.00 23.42 O ATOM 829 CB GLU A 52 0.674 6.622 31.353 1.00 62.41 C ATOM 830 CG GLU A 52 0.822 8.134 31.350 1.00 72.13 C ATOM 831 CD GLU A 52 -0.511 8.850 31.443 1.00 13.44 C ATOM 832 OE1 GLU A 52 -1.413 8.534 30.640 1.00 35.34 O ATOM 833 OE2 GLU A 52 -0.652 9.728 32.321 1.00 41.12 O ATOM 0 H GLU A 52 0.968 4.177 31.677 1.00 40.03 H new ATOM 0 HA GLU A 52 2.158 6.077 29.895 1.00 12.41 H new ATOM 0 HB2 GLU A 52 -0.131 6.343 30.673 1.00 62.41 H new ATOM 0 HB3 GLU A 52 0.376 6.297 32.350 1.00 62.41 H new ATOM 0 HG2 GLU A 52 1.451 8.435 32.187 1.00 72.13 H new ATOM 0 HG3 GLU A 52 1.334 8.444 30.439 1.00 72.13 H new ATOM 840 N GLY A 53 3.249 5.864 32.996 1.00 41.32 N ATOM 841 CA GLY A 53 4.334 6.271 33.870 1.00 15.12 C ATOM 842 C GLY A 53 5.672 5.711 33.433 1.00 63.42 C ATOM 843 O GLY A 53 6.643 6.453 33.274 1.00 33.44 O ATOM 0 H GLY A 53 2.615 5.170 33.393 1.00 41.32 H new ATOM 0 HA2 GLY A 53 4.389 7.359 33.893 1.00 15.12 H new ATOM 0 HA3 GLY A 53 4.120 5.941 34.887 1.00 15.12 H new ATOM 847 N LEU A 54 5.727 4.398 33.238 1.00 20.45 N ATOM 848 CA LEU A 54 6.958 3.737 32.818 1.00 10.12 C ATOM 849 C LEU A 54 6.913 3.396 31.332 1.00 33.43 C ATOM 850 O LEU A 54 6.383 2.355 30.940 1.00 5.05 O ATOM 851 CB LEU A 54 7.184 2.466 33.639 1.00 73.14 C ATOM 852 CG LEU A 54 7.474 2.670 35.126 1.00 31.20 C ATOM 853 CD1 LEU A 54 7.808 1.344 35.791 1.00 30.33 C ATOM 854 CD2 LEU A 54 8.609 3.665 35.316 1.00 1.14 C ATOM 0 H LEU A 54 4.933 3.770 33.364 1.00 20.45 H new ATOM 0 HA LEU A 54 7.787 4.424 32.989 1.00 10.12 H new ATOM 0 HB2 LEU A 54 6.300 1.835 33.545 1.00 73.14 H new ATOM 0 HB3 LEU A 54 8.016 1.917 33.199 1.00 73.14 H new ATOM 0 HG LEU A 54 6.580 3.075 35.599 1.00 31.20 H new ATOM 0 HD11 LEU A 54 8.012 1.509 36.849 1.00 30.33 H new ATOM 0 HD12 LEU A 54 6.965 0.662 35.686 1.00 30.33 H new ATOM 0 HD13 LEU A 54 8.688 0.910 35.316 1.00 30.33 H new ATOM 0 HD21 LEU A 54 8.802 3.798 36.381 1.00 1.14 H new ATOM 0 HD22 LEU A 54 9.508 3.289 34.829 1.00 1.14 H new ATOM 0 HD23 LEU A 54 8.331 4.622 34.875 1.00 1.14 H new ATOM 866 N ILE A 55 7.473 4.277 30.511 1.00 55.04 N ATOM 867 CA ILE A 55 7.499 4.067 29.068 1.00 32.25 C ATOM 868 C ILE A 55 7.363 2.587 28.726 1.00 10.11 C ATOM 869 O ILE A 55 7.642 1.708 29.541 1.00 35.44 O ATOM 870 CB ILE A 55 8.798 4.610 28.444 1.00 73.40 C ATOM 871 CG1 ILE A 55 10.004 3.820 28.956 1.00 3.54 C ATOM 872 CG2 ILE A 55 8.956 6.091 28.754 1.00 20.43 C ATOM 873 CD1 ILE A 55 10.564 4.350 30.258 1.00 33.44 C ATOM 0 H ILE A 55 7.915 5.143 30.819 1.00 55.04 H new ATOM 0 HA ILE A 55 6.651 4.612 28.654 1.00 32.25 H new ATOM 0 HB ILE A 55 8.742 4.490 27.362 1.00 73.40 H new ATOM 0 HG12 ILE A 55 9.715 2.778 29.092 1.00 3.54 H new ATOM 0 HG13 ILE A 55 10.788 3.837 28.199 1.00 3.54 H new ATOM 0 HG21 ILE A 55 9.879 6.460 28.306 1.00 20.43 H new ATOM 0 HG22 ILE A 55 8.109 6.641 28.344 1.00 20.43 H new ATOM 0 HG23 ILE A 55 8.994 6.235 29.834 1.00 20.43 H new ATOM 0 HD11 ILE A 55 11.416 3.742 30.562 1.00 33.44 H new ATOM 0 HD12 ILE A 55 10.885 5.383 30.123 1.00 33.44 H new ATOM 0 HD13 ILE A 55 9.795 4.307 31.029 1.00 33.44 H new ATOM 885 N PRO A 56 6.926 2.303 27.490 1.00 42.50 N ATOM 886 CA PRO A 56 6.746 0.930 27.010 1.00 52.32 C ATOM 887 C PRO A 56 8.073 0.206 26.813 1.00 61.12 C ATOM 888 O PRO A 56 8.145 -1.018 26.918 1.00 23.53 O ATOM 889 CB PRO A 56 6.033 1.115 25.668 1.00 72.52 C ATOM 890 CG PRO A 56 6.423 2.479 25.216 1.00 51.50 C ATOM 891 CD PRO A 56 6.575 3.302 26.466 1.00 63.42 C ATOM 0 HA PRO A 56 6.192 0.318 27.722 1.00 52.32 H new ATOM 0 HB2 PRO A 56 6.341 0.356 24.948 1.00 72.52 H new ATOM 0 HB3 PRO A 56 4.952 1.029 25.779 1.00 72.52 H new ATOM 0 HG2 PRO A 56 7.355 2.451 24.651 1.00 51.50 H new ATOM 0 HG3 PRO A 56 5.664 2.904 24.559 1.00 51.50 H new ATOM 0 HD2 PRO A 56 7.353 4.057 26.358 1.00 63.42 H new ATOM 0 HD3 PRO A 56 5.653 3.827 26.716 1.00 63.42 H new ATOM 899 N VAL A 57 9.122 0.970 26.526 1.00 3.25 N ATOM 900 CA VAL A 57 10.448 0.401 26.316 1.00 1.14 C ATOM 901 C VAL A 57 10.911 -0.381 27.541 1.00 52.15 C ATOM 902 O VAL A 57 11.793 -1.235 27.447 1.00 34.05 O ATOM 903 CB VAL A 57 11.484 1.495 25.998 1.00 45.02 C ATOM 904 CG1 VAL A 57 12.829 0.873 25.654 1.00 62.14 C ATOM 905 CG2 VAL A 57 10.992 2.381 24.864 1.00 53.13 C ATOM 0 H VAL A 57 9.079 1.985 26.434 1.00 3.25 H new ATOM 0 HA VAL A 57 10.371 -0.275 25.464 1.00 1.14 H new ATOM 0 HB VAL A 57 11.614 2.116 26.884 1.00 45.02 H new ATOM 0 HG11 VAL A 57 13.548 1.661 25.432 1.00 62.14 H new ATOM 0 HG12 VAL A 57 13.185 0.285 26.500 1.00 62.14 H new ATOM 0 HG13 VAL A 57 12.719 0.227 24.783 1.00 62.14 H new ATOM 0 HG21 VAL A 57 11.737 3.148 24.653 1.00 53.13 H new ATOM 0 HG22 VAL A 57 10.832 1.775 23.972 1.00 53.13 H new ATOM 0 HG23 VAL A 57 10.054 2.855 25.153 1.00 53.13 H new ATOM 915 N ASP A 58 10.310 -0.084 28.687 1.00 12.43 N ATOM 916 CA ASP A 58 10.659 -0.760 29.931 1.00 32.02 C ATOM 917 C ASP A 58 9.801 -2.005 30.132 1.00 73.20 C ATOM 918 O ASP A 58 10.317 -3.119 30.229 1.00 62.20 O ATOM 919 CB ASP A 58 10.488 0.189 31.118 1.00 13.22 C ATOM 920 CG ASP A 58 11.805 0.515 31.794 1.00 43.04 C ATOM 921 OD1 ASP A 58 12.828 0.614 31.083 1.00 20.14 O ATOM 922 OD2 ASP A 58 11.814 0.672 33.032 1.00 33.13 O ATOM 0 H ASP A 58 9.578 0.621 28.781 1.00 12.43 H new ATOM 0 HA ASP A 58 11.703 -1.066 29.868 1.00 32.02 H new ATOM 0 HB2 ASP A 58 10.020 1.112 30.777 1.00 13.22 H new ATOM 0 HB3 ASP A 58 9.812 -0.261 31.845 1.00 13.22 H new ATOM 927 N LEU A 59 8.488 -1.809 30.195 1.00 63.14 N ATOM 928 CA LEU A 59 7.558 -2.916 30.385 1.00 35.10 C ATOM 929 C LEU A 59 7.656 -3.914 29.236 1.00 62.31 C ATOM 930 O LEU A 59 7.416 -5.108 29.415 1.00 2.12 O ATOM 931 CB LEU A 59 6.125 -2.391 30.498 1.00 44.55 C ATOM 932 CG LEU A 59 5.158 -2.838 29.401 1.00 42.32 C ATOM 933 CD1 LEU A 59 3.718 -2.660 29.855 1.00 54.14 C ATOM 934 CD2 LEU A 59 5.414 -2.064 28.116 1.00 50.50 C ATOM 0 H LEU A 59 8.044 -0.894 30.117 1.00 63.14 H new ATOM 0 HA LEU A 59 7.826 -3.427 31.310 1.00 35.10 H new ATOM 0 HB2 LEU A 59 5.720 -2.703 31.461 1.00 44.55 H new ATOM 0 HB3 LEU A 59 6.158 -1.302 30.504 1.00 44.55 H new ATOM 0 HG LEU A 59 5.327 -3.896 29.203 1.00 42.32 H new ATOM 0 HD11 LEU A 59 3.044 -2.983 29.062 1.00 54.14 H new ATOM 0 HD12 LEU A 59 3.541 -3.260 30.748 1.00 54.14 H new ATOM 0 HD13 LEU A 59 3.535 -1.610 30.081 1.00 54.14 H new ATOM 0 HD21 LEU A 59 4.717 -2.395 27.347 1.00 50.50 H new ATOM 0 HD22 LEU A 59 5.273 -0.999 28.299 1.00 50.50 H new ATOM 0 HD23 LEU A 59 6.436 -2.243 27.781 1.00 50.50 H new ATOM 946 N ALA A 60 8.013 -3.417 28.056 1.00 31.21 N ATOM 947 CA ALA A 60 8.148 -4.266 26.879 1.00 53.12 C ATOM 948 C ALA A 60 9.270 -5.282 27.060 1.00 31.43 C ATOM 949 O ALA A 60 9.110 -6.460 26.740 1.00 3.32 O ATOM 950 CB ALA A 60 8.398 -3.416 25.642 1.00 74.45 C ATOM 0 H ALA A 60 8.214 -2.431 27.890 1.00 31.21 H new ATOM 0 HA ALA A 60 7.215 -4.814 26.748 1.00 53.12 H new ATOM 0 HB1 ALA A 60 8.497 -4.063 24.770 1.00 74.45 H new ATOM 0 HB2 ALA A 60 7.561 -2.733 25.494 1.00 74.45 H new ATOM 0 HB3 ALA A 60 9.315 -2.842 25.774 1.00 74.45 H new ATOM 956 N GLU A 61 10.405 -4.819 27.575 1.00 15.11 N ATOM 957 CA GLU A 61 11.553 -5.689 27.797 1.00 4.12 C ATOM 958 C GLU A 61 11.178 -6.869 28.689 1.00 1.33 C ATOM 959 O GLU A 61 11.668 -7.983 28.503 1.00 71.42 O ATOM 960 CB GLU A 61 12.703 -4.902 28.430 1.00 14.25 C ATOM 961 CG GLU A 61 13.652 -4.287 27.415 1.00 33.54 C ATOM 962 CD GLU A 61 14.682 -5.277 26.907 1.00 5.23 C ATOM 963 OE1 GLU A 61 14.850 -6.338 27.545 1.00 44.42 O ATOM 964 OE2 GLU A 61 15.321 -4.991 25.873 1.00 1.42 O ATOM 0 H GLU A 61 10.553 -3.847 27.846 1.00 15.11 H new ATOM 0 HA GLU A 61 11.875 -6.075 26.830 1.00 4.12 H new ATOM 0 HB2 GLU A 61 12.289 -4.110 29.054 1.00 14.25 H new ATOM 0 HB3 GLU A 61 13.267 -5.564 29.087 1.00 14.25 H new ATOM 0 HG2 GLU A 61 13.078 -3.901 26.573 1.00 33.54 H new ATOM 0 HG3 GLU A 61 14.162 -3.437 27.868 1.00 33.54 H new ATOM 971 N LEU A 62 10.307 -6.615 29.659 1.00 33.34 N ATOM 972 CA LEU A 62 9.865 -7.655 30.582 1.00 71.40 C ATOM 973 C LEU A 62 8.883 -8.605 29.903 1.00 44.04 C ATOM 974 O LEU A 62 8.995 -9.825 30.028 1.00 23.25 O ATOM 975 CB LEU A 62 9.214 -7.027 31.816 1.00 72.55 C ATOM 976 CG LEU A 62 8.360 -7.962 32.673 1.00 75.13 C ATOM 977 CD1 LEU A 62 8.662 -7.758 34.149 1.00 23.20 C ATOM 978 CD2 LEU A 62 6.880 -7.738 32.394 1.00 64.51 C ATOM 0 H LEU A 62 9.893 -5.698 29.827 1.00 33.34 H new ATOM 0 HA LEU A 62 10.740 -8.227 30.892 1.00 71.40 H new ATOM 0 HB2 LEU A 62 10.001 -6.608 32.444 1.00 72.55 H new ATOM 0 HB3 LEU A 62 8.590 -6.195 31.489 1.00 72.55 H new ATOM 0 HG LEU A 62 8.608 -8.991 32.411 1.00 75.13 H new ATOM 0 HD11 LEU A 62 8.045 -8.432 34.743 1.00 23.20 H new ATOM 0 HD12 LEU A 62 9.715 -7.969 34.338 1.00 23.20 H new ATOM 0 HD13 LEU A 62 8.443 -6.727 34.426 1.00 23.20 H new ATOM 0 HD21 LEU A 62 6.287 -8.412 33.013 1.00 64.51 H new ATOM 0 HD22 LEU A 62 6.618 -6.706 32.627 1.00 64.51 H new ATOM 0 HD23 LEU A 62 6.674 -7.936 31.342 1.00 64.51 H new ATOM 990 N LEU A 63 7.923 -8.038 29.181 1.00 43.13 N ATOM 991 CA LEU A 63 6.923 -8.834 28.478 1.00 14.15 C ATOM 992 C LEU A 63 7.576 -9.730 27.431 1.00 3.23 C ATOM 993 O LEU A 63 7.345 -10.939 27.404 1.00 65.03 O ATOM 994 CB LEU A 63 5.891 -7.921 27.813 1.00 43.10 C ATOM 995 CG LEU A 63 4.430 -8.354 27.941 1.00 43.35 C ATOM 996 CD1 LEU A 63 3.502 -7.164 27.748 1.00 65.20 C ATOM 997 CD2 LEU A 63 4.109 -9.451 26.936 1.00 4.20 C ATOM 0 H LEU A 63 7.816 -7.030 29.067 1.00 43.13 H new ATOM 0 HA LEU A 63 6.421 -9.468 29.209 1.00 14.15 H new ATOM 0 HB2 LEU A 63 5.992 -6.922 28.238 1.00 43.10 H new ATOM 0 HB3 LEU A 63 6.134 -7.842 26.753 1.00 43.10 H new ATOM 0 HG LEU A 63 4.275 -8.751 28.944 1.00 43.35 H new ATOM 0 HD11 LEU A 63 2.467 -7.491 27.842 1.00 65.20 H new ATOM 0 HD12 LEU A 63 3.715 -6.410 28.506 1.00 65.20 H new ATOM 0 HD13 LEU A 63 3.659 -6.737 26.757 1.00 65.20 H new ATOM 0 HD21 LEU A 63 3.065 -9.747 27.041 1.00 4.20 H new ATOM 0 HD22 LEU A 63 4.281 -9.080 25.925 1.00 4.20 H new ATOM 0 HD23 LEU A 63 4.751 -10.313 27.120 1.00 4.20 H new ATOM 1009 N ILE A 64 8.394 -9.129 26.573 1.00 11.04 N ATOM 1010 CA ILE A 64 9.083 -9.873 25.527 1.00 65.31 C ATOM 1011 C ILE A 64 9.919 -11.004 26.116 1.00 22.35 C ATOM 1012 O ILE A 64 10.097 -12.049 25.491 1.00 64.40 O ATOM 1013 CB ILE A 64 9.997 -8.956 24.692 1.00 30.25 C ATOM 1014 CG1 ILE A 64 11.019 -8.261 25.594 1.00 22.01 C ATOM 1015 CG2 ILE A 64 9.168 -7.931 23.934 1.00 14.20 C ATOM 1016 CD1 ILE A 64 12.365 -8.950 25.625 1.00 63.32 C ATOM 0 H ILE A 64 8.595 -8.129 26.582 1.00 11.04 H new ATOM 0 HA ILE A 64 8.313 -10.292 24.879 1.00 65.31 H new ATOM 0 HB ILE A 64 10.536 -9.566 23.967 1.00 30.25 H new ATOM 0 HG12 ILE A 64 11.153 -7.234 25.253 1.00 22.01 H new ATOM 0 HG13 ILE A 64 10.622 -8.211 26.608 1.00 22.01 H new ATOM 0 HG21 ILE A 64 9.828 -7.290 23.349 1.00 14.20 H new ATOM 0 HG22 ILE A 64 8.475 -8.445 23.267 1.00 14.20 H new ATOM 0 HG23 ILE A 64 8.606 -7.322 24.642 1.00 14.20 H new ATOM 0 HD11 ILE A 64 13.039 -8.403 26.284 1.00 63.32 H new ATOM 0 HD12 ILE A 64 12.244 -9.968 25.994 1.00 63.32 H new ATOM 0 HD13 ILE A 64 12.784 -8.976 24.619 1.00 63.32 H new ATOM 1028 N SER A 65 10.428 -10.789 27.325 1.00 4.42 N ATOM 1029 CA SER A 65 11.247 -11.789 27.999 1.00 24.14 C ATOM 1030 C SER A 65 10.374 -12.859 28.648 1.00 11.32 C ATOM 1031 O SER A 65 10.819 -13.982 28.883 1.00 31.25 O ATOM 1032 CB SER A 65 12.132 -11.126 29.057 1.00 31.32 C ATOM 1033 OG SER A 65 12.899 -12.090 29.758 1.00 73.43 O ATOM 0 H SER A 65 10.287 -9.931 27.858 1.00 4.42 H new ATOM 0 HA SER A 65 11.881 -12.266 27.252 1.00 24.14 H new ATOM 0 HB2 SER A 65 12.796 -10.405 28.580 1.00 31.32 H new ATOM 0 HB3 SER A 65 11.510 -10.571 29.759 1.00 31.32 H new ATOM 0 HG SER A 65 13.457 -11.641 30.427 1.00 73.43 H new ATOM 1039 N LYS A 66 9.127 -12.501 28.935 1.00 11.03 N ATOM 1040 CA LYS A 66 8.188 -13.428 29.556 1.00 61.12 C ATOM 1041 C LYS A 66 8.181 -14.766 28.824 1.00 60.41 C ATOM 1042 O LYS A 66 8.570 -15.792 29.382 1.00 24.34 O ATOM 1043 CB LYS A 66 6.779 -12.831 29.563 1.00 60.15 C ATOM 1044 CG LYS A 66 5.710 -13.800 30.037 1.00 21.14 C ATOM 1045 CD LYS A 66 5.825 -14.071 31.528 1.00 4.32 C ATOM 1046 CE LYS A 66 6.441 -15.435 31.801 1.00 11.41 C ATOM 1047 NZ LYS A 66 5.560 -16.543 31.340 1.00 35.05 N ATOM 0 H LYS A 66 8.743 -11.575 28.747 1.00 11.03 H new ATOM 0 HA LYS A 66 8.509 -13.597 30.584 1.00 61.12 H new ATOM 0 HB2 LYS A 66 6.770 -11.950 30.205 1.00 60.15 H new ATOM 0 HB3 LYS A 66 6.531 -12.494 28.556 1.00 60.15 H new ATOM 0 HG2 LYS A 66 4.724 -13.392 29.815 1.00 21.14 H new ATOM 0 HG3 LYS A 66 5.798 -14.737 29.488 1.00 21.14 H new ATOM 0 HD2 LYS A 66 6.434 -13.296 31.994 1.00 4.32 H new ATOM 0 HD3 LYS A 66 4.837 -14.019 31.986 1.00 4.32 H new ATOM 0 HE2 LYS A 66 7.406 -15.505 31.299 1.00 11.41 H new ATOM 0 HE3 LYS A 66 6.629 -15.541 32.869 1.00 11.41 H new ATOM 0 HZ1 LYS A 66 5.758 -17.398 31.897 1.00 35.05 H new ATOM 0 HZ2 LYS A 66 4.564 -16.270 31.466 1.00 35.05 H new ATOM 0 HZ3 LYS A 66 5.742 -16.736 30.334 1.00 35.05 H new ATOM 1061 N TYR A 67 7.738 -14.748 27.572 1.00 73.41 N ATOM 1062 CA TYR A 67 7.680 -15.961 26.764 1.00 15.22 C ATOM 1063 C TYR A 67 8.359 -15.750 25.415 1.00 42.43 C ATOM 1064 O TYR A 67 9.054 -16.632 24.912 1.00 51.42 O ATOM 1065 CB TYR A 67 6.226 -16.390 26.554 1.00 3.33 C ATOM 1066 CG TYR A 67 6.061 -17.874 26.320 1.00 31.21 C ATOM 1067 CD1 TYR A 67 6.431 -18.452 25.112 1.00 71.13 C ATOM 1068 CD2 TYR A 67 5.534 -18.699 27.306 1.00 12.22 C ATOM 1069 CE1 TYR A 67 6.281 -19.808 24.893 1.00 51.12 C ATOM 1070 CE2 TYR A 67 5.382 -20.056 27.097 1.00 53.34 C ATOM 1071 CZ TYR A 67 5.756 -20.605 25.888 1.00 24.54 C ATOM 1072 OH TYR A 67 5.605 -21.956 25.675 1.00 21.52 O ATOM 0 H TYR A 67 7.414 -13.907 27.094 1.00 73.41 H new ATOM 0 HA TYR A 67 8.211 -16.749 27.298 1.00 15.22 H new ATOM 0 HB2 TYR A 67 5.641 -16.101 27.427 1.00 3.33 H new ATOM 0 HB3 TYR A 67 5.816 -15.848 25.702 1.00 3.33 H new ATOM 0 HD1 TYR A 67 6.843 -17.831 24.331 1.00 71.13 H new ATOM 0 HD2 TYR A 67 5.238 -18.272 28.253 1.00 12.22 H new ATOM 0 HE1 TYR A 67 6.573 -20.241 23.948 1.00 51.12 H new ATOM 0 HE2 TYR A 67 4.973 -20.683 27.875 1.00 53.34 H new ATOM 0 HH TYR A 67 5.223 -22.373 26.475 1.00 21.52 H new ATOM 1082 N GLY A 68 8.153 -14.572 24.833 1.00 2.45 N ATOM 1083 CA GLY A 68 8.752 -14.264 23.548 1.00 3.31 C ATOM 1084 C GLY A 68 8.369 -12.886 23.045 1.00 60.22 C ATOM 1085 O GLY A 68 7.242 -12.436 23.249 1.00 4.31 O ATOM 0 H GLY A 68 7.582 -13.826 25.229 1.00 2.45 H new ATOM 0 HA2 GLY A 68 9.837 -14.328 23.632 1.00 3.31 H new ATOM 0 HA3 GLY A 68 8.444 -15.012 22.818 1.00 3.31 H new ATOM 1089 N GLU A 69 9.309 -12.216 22.386 1.00 2.43 N ATOM 1090 CA GLU A 69 9.064 -10.880 21.855 1.00 13.01 C ATOM 1091 C GLU A 69 8.056 -10.927 20.710 1.00 44.33 C ATOM 1092 O GLU A 69 7.300 -9.980 20.494 1.00 51.35 O ATOM 1093 CB GLU A 69 10.372 -10.250 21.373 1.00 61.32 C ATOM 1094 CG GLU A 69 11.042 -11.024 20.250 1.00 43.11 C ATOM 1095 CD GLU A 69 11.122 -10.230 18.961 1.00 52.53 C ATOM 1096 OE1 GLU A 69 11.573 -9.066 19.008 1.00 24.14 O ATOM 1097 OE2 GLU A 69 10.733 -10.771 17.905 1.00 55.52 O ATOM 0 H GLU A 69 10.246 -12.576 22.207 1.00 2.43 H new ATOM 0 HA GLU A 69 8.650 -10.268 22.656 1.00 13.01 H new ATOM 0 HB2 GLU A 69 10.173 -9.233 21.034 1.00 61.32 H new ATOM 0 HB3 GLU A 69 11.062 -10.176 22.214 1.00 61.32 H new ATOM 0 HG2 GLU A 69 12.047 -11.309 20.560 1.00 43.11 H new ATOM 0 HG3 GLU A 69 10.490 -11.947 20.070 1.00 43.11 H new ATOM 1104 N LYS A 70 8.053 -12.036 19.978 1.00 51.42 N ATOM 1105 CA LYS A 70 7.140 -12.209 18.854 1.00 14.35 C ATOM 1106 C LYS A 70 5.688 -12.124 19.315 1.00 0.34 C ATOM 1107 O LYS A 70 5.021 -11.110 19.111 1.00 5.23 O ATOM 1108 CB LYS A 70 7.390 -13.554 18.169 1.00 3.12 C ATOM 1109 CG LYS A 70 6.769 -13.657 16.787 1.00 22.50 C ATOM 1110 CD LYS A 70 7.088 -12.437 15.940 1.00 61.25 C ATOM 1111 CE LYS A 70 6.592 -12.605 14.511 1.00 22.45 C ATOM 1112 NZ LYS A 70 5.298 -13.341 14.457 1.00 45.25 N ATOM 0 H LYS A 70 8.673 -12.829 20.143 1.00 51.42 H new ATOM 0 HA LYS A 70 7.325 -11.405 18.141 1.00 14.35 H new ATOM 0 HB2 LYS A 70 8.465 -13.717 18.088 1.00 3.12 H new ATOM 0 HB3 LYS A 70 6.993 -14.352 18.797 1.00 3.12 H new ATOM 0 HG2 LYS A 70 7.136 -14.554 16.288 1.00 22.50 H new ATOM 0 HG3 LYS A 70 5.688 -13.764 16.880 1.00 22.50 H new ATOM 0 HD2 LYS A 70 6.629 -11.554 16.384 1.00 61.25 H new ATOM 0 HD3 LYS A 70 8.165 -12.268 15.935 1.00 61.25 H new ATOM 0 HE2 LYS A 70 6.472 -11.624 14.050 1.00 22.45 H new ATOM 0 HE3 LYS A 70 7.340 -13.142 13.927 1.00 22.45 H new ATOM 0 HZ1 LYS A 70 4.804 -13.110 13.572 1.00 45.25 H new ATOM 0 HZ2 LYS A 70 5.479 -14.364 14.495 1.00 45.25 H new ATOM 0 HZ3 LYS A 70 4.707 -13.063 15.266 1.00 45.25 H new ATOM 1126 N GLU A 71 5.206 -13.194 19.939 1.00 60.52 N ATOM 1127 CA GLU A 71 3.833 -13.239 20.429 1.00 44.12 C ATOM 1128 C GLU A 71 3.507 -11.992 21.246 1.00 73.03 C ATOM 1129 O GLU A 71 2.355 -11.564 21.311 1.00 33.54 O ATOM 1130 CB GLU A 71 3.612 -14.492 21.279 1.00 3.53 C ATOM 1131 CG GLU A 71 2.152 -14.755 21.607 1.00 41.21 C ATOM 1132 CD GLU A 71 1.821 -16.234 21.650 1.00 25.02 C ATOM 1133 OE1 GLU A 71 2.332 -16.981 20.789 1.00 2.13 O ATOM 1134 OE2 GLU A 71 1.052 -16.645 22.544 1.00 4.21 O ATOM 0 H GLU A 71 5.746 -14.041 20.117 1.00 60.52 H new ATOM 0 HA GLU A 71 3.167 -13.272 19.567 1.00 44.12 H new ATOM 0 HB2 GLU A 71 4.018 -15.355 20.751 1.00 3.53 H new ATOM 0 HB3 GLU A 71 4.173 -14.394 22.209 1.00 3.53 H new ATOM 0 HG2 GLU A 71 1.913 -14.305 22.571 1.00 41.21 H new ATOM 0 HG3 GLU A 71 1.523 -14.267 20.863 1.00 41.21 H new ATOM 1141 N ALA A 72 4.530 -11.414 21.867 1.00 34.21 N ATOM 1142 CA ALA A 72 4.352 -10.216 22.678 1.00 25.23 C ATOM 1143 C ALA A 72 3.549 -9.159 21.928 1.00 32.25 C ATOM 1144 O ALA A 72 2.451 -8.788 22.345 1.00 5.10 O ATOM 1145 CB ALA A 72 5.704 -9.657 23.095 1.00 5.44 C ATOM 0 H ALA A 72 5.490 -11.756 21.824 1.00 34.21 H new ATOM 0 HA ALA A 72 3.793 -10.492 23.572 1.00 25.23 H new ATOM 0 HB1 ALA A 72 5.557 -8.762 23.700 1.00 5.44 H new ATOM 0 HB2 ALA A 72 6.243 -10.404 23.677 1.00 5.44 H new ATOM 0 HB3 ALA A 72 6.282 -9.403 22.207 1.00 5.44 H new ATOM 1151 N VAL A 73 4.103 -8.677 20.820 1.00 35.23 N ATOM 1152 CA VAL A 73 3.437 -7.663 20.012 1.00 52.31 C ATOM 1153 C VAL A 73 2.058 -8.135 19.563 1.00 4.24 C ATOM 1154 O VAL A 73 1.079 -7.393 19.643 1.00 1.14 O ATOM 1155 CB VAL A 73 4.272 -7.298 18.770 1.00 53.10 C ATOM 1156 CG1 VAL A 73 3.463 -6.429 17.819 1.00 73.10 C ATOM 1157 CG2 VAL A 73 5.559 -6.598 19.180 1.00 34.33 C ATOM 0 H VAL A 73 5.011 -8.973 20.462 1.00 35.23 H new ATOM 0 HA VAL A 73 3.328 -6.779 20.641 1.00 52.31 H new ATOM 0 HB VAL A 73 4.536 -8.218 18.248 1.00 53.10 H new ATOM 0 HG11 VAL A 73 4.069 -6.181 16.948 1.00 73.10 H new ATOM 0 HG12 VAL A 73 2.573 -6.971 17.499 1.00 73.10 H new ATOM 0 HG13 VAL A 73 3.167 -5.512 18.327 1.00 73.10 H new ATOM 0 HG21 VAL A 73 6.136 -6.347 18.290 1.00 34.33 H new ATOM 0 HG22 VAL A 73 5.319 -5.685 19.726 1.00 34.33 H new ATOM 0 HG23 VAL A 73 6.145 -7.259 19.819 1.00 34.33 H new ATOM 1167 N LYS A 74 1.989 -9.375 19.091 1.00 15.22 N ATOM 1168 CA LYS A 74 0.730 -9.949 18.631 1.00 52.12 C ATOM 1169 C LYS A 74 -0.308 -9.952 19.749 1.00 50.23 C ATOM 1170 O LYS A 74 -1.502 -9.783 19.501 1.00 11.33 O ATOM 1171 CB LYS A 74 0.952 -11.375 18.123 1.00 73.42 C ATOM 1172 CG LYS A 74 1.308 -11.447 16.648 1.00 73.31 C ATOM 1173 CD LYS A 74 2.676 -12.073 16.434 1.00 32.14 C ATOM 1174 CE LYS A 74 2.682 -13.545 16.819 1.00 53.31 C ATOM 1175 NZ LYS A 74 1.997 -14.387 15.800 1.00 73.03 N ATOM 0 H LYS A 74 2.790 -10.002 19.017 1.00 15.22 H new ATOM 0 HA LYS A 74 0.356 -9.332 17.814 1.00 52.12 H new ATOM 0 HB2 LYS A 74 1.750 -11.838 18.704 1.00 73.42 H new ATOM 0 HB3 LYS A 74 0.049 -11.959 18.299 1.00 73.42 H new ATOM 0 HG2 LYS A 74 0.554 -12.029 16.119 1.00 73.31 H new ATOM 0 HG3 LYS A 74 1.295 -10.445 16.220 1.00 73.31 H new ATOM 0 HD2 LYS A 74 2.966 -11.968 15.388 1.00 32.14 H new ATOM 0 HD3 LYS A 74 3.419 -11.538 17.026 1.00 32.14 H new ATOM 0 HE2 LYS A 74 3.711 -13.885 16.939 1.00 53.31 H new ATOM 0 HE3 LYS A 74 2.190 -13.670 17.784 1.00 53.31 H new ATOM 0 HZ1 LYS A 74 2.052 -15.387 16.082 1.00 73.03 H new ATOM 0 HZ2 LYS A 74 0.999 -14.102 15.728 1.00 73.03 H new ATOM 0 HZ3 LYS A 74 2.461 -14.262 14.878 1.00 73.03 H new ATOM 1189 N VAL A 75 0.155 -10.144 20.980 1.00 43.33 N ATOM 1190 CA VAL A 75 -0.733 -10.166 22.136 1.00 44.20 C ATOM 1191 C VAL A 75 -1.327 -8.787 22.399 1.00 51.22 C ATOM 1192 O VAL A 75 -2.358 -8.659 23.060 1.00 42.34 O ATOM 1193 CB VAL A 75 0.005 -10.644 23.401 1.00 73.42 C ATOM 1194 CG1 VAL A 75 0.275 -9.476 24.336 1.00 41.41 C ATOM 1195 CG2 VAL A 75 -0.797 -11.728 24.106 1.00 2.12 C ATOM 0 H VAL A 75 1.140 -10.287 21.202 1.00 43.33 H new ATOM 0 HA VAL A 75 -1.536 -10.866 21.905 1.00 44.20 H new ATOM 0 HB VAL A 75 0.964 -11.068 23.103 1.00 73.42 H new ATOM 0 HG11 VAL A 75 0.797 -9.834 25.224 1.00 41.41 H new ATOM 0 HG12 VAL A 75 0.892 -8.736 23.826 1.00 41.41 H new ATOM 0 HG13 VAL A 75 -0.670 -9.019 24.630 1.00 41.41 H new ATOM 0 HG21 VAL A 75 -0.262 -12.055 24.998 1.00 2.12 H new ATOM 0 HG22 VAL A 75 -1.771 -11.332 24.392 1.00 2.12 H new ATOM 0 HG23 VAL A 75 -0.933 -12.575 23.434 1.00 2.12 H new ATOM 1205 N VAL A 76 -0.670 -7.756 21.876 1.00 14.12 N ATOM 1206 CA VAL A 76 -1.134 -6.385 22.053 1.00 75.04 C ATOM 1207 C VAL A 76 -2.270 -6.061 21.088 1.00 11.15 C ATOM 1208 O VAL A 76 -3.310 -5.536 21.490 1.00 23.31 O ATOM 1209 CB VAL A 76 0.008 -5.374 21.841 1.00 21.01 C ATOM 1210 CG1 VAL A 76 -0.486 -4.165 21.061 1.00 62.30 C ATOM 1211 CG2 VAL A 76 0.599 -4.951 23.178 1.00 61.35 C ATOM 0 H VAL A 76 0.185 -7.844 21.327 1.00 14.12 H new ATOM 0 HA VAL A 76 -1.496 -6.303 23.078 1.00 75.04 H new ATOM 0 HB VAL A 76 0.793 -5.856 21.258 1.00 21.01 H new ATOM 0 HG11 VAL A 76 0.335 -3.462 20.921 1.00 62.30 H new ATOM 0 HG12 VAL A 76 -0.858 -4.487 20.088 1.00 62.30 H new ATOM 0 HG13 VAL A 76 -1.290 -3.679 21.614 1.00 62.30 H new ATOM 0 HG21 VAL A 76 1.405 -4.236 23.010 1.00 61.35 H new ATOM 0 HG22 VAL A 76 -0.176 -4.487 23.788 1.00 61.35 H new ATOM 0 HG23 VAL A 76 0.992 -5.826 23.695 1.00 61.35 H new ATOM 1221 N LEU A 77 -2.065 -6.377 19.815 1.00 53.15 N ATOM 1222 CA LEU A 77 -3.073 -6.120 18.791 1.00 23.11 C ATOM 1223 C LEU A 77 -4.260 -7.065 18.946 1.00 23.40 C ATOM 1224 O LEU A 77 -5.415 -6.641 18.904 1.00 22.42 O ATOM 1225 CB LEU A 77 -2.462 -6.274 17.397 1.00 54.41 C ATOM 1226 CG LEU A 77 -1.671 -7.558 17.149 1.00 62.15 C ATOM 1227 CD1 LEU A 77 -2.477 -8.526 16.297 1.00 74.01 C ATOM 1228 CD2 LEU A 77 -0.338 -7.243 16.484 1.00 33.33 C ATOM 0 H LEU A 77 -1.211 -6.811 19.466 1.00 53.15 H new ATOM 0 HA LEU A 77 -3.429 -5.097 18.914 1.00 23.11 H new ATOM 0 HB2 LEU A 77 -3.265 -6.218 16.662 1.00 54.41 H new ATOM 0 HB3 LEU A 77 -1.804 -5.425 17.215 1.00 54.41 H new ATOM 0 HG LEU A 77 -1.473 -8.031 18.111 1.00 62.15 H new ATOM 0 HD11 LEU A 77 -1.897 -9.434 16.131 1.00 74.01 H new ATOM 0 HD12 LEU A 77 -3.405 -8.777 16.810 1.00 74.01 H new ATOM 0 HD13 LEU A 77 -2.707 -8.062 15.338 1.00 74.01 H new ATOM 0 HD21 LEU A 77 0.212 -8.169 16.315 1.00 33.33 H new ATOM 0 HD22 LEU A 77 -0.516 -6.747 15.530 1.00 33.33 H new ATOM 0 HD23 LEU A 77 0.245 -6.587 17.131 1.00 33.33 H new ATOM 1240 N LYS A 78 -3.967 -8.349 19.127 1.00 14.23 N ATOM 1241 CA LYS A 78 -5.009 -9.355 19.293 1.00 74.35 C ATOM 1242 C LYS A 78 -6.023 -8.921 20.347 1.00 63.52 C ATOM 1243 O LYS A 78 -7.226 -8.894 20.091 1.00 22.43 O ATOM 1244 CB LYS A 78 -4.391 -10.699 19.686 1.00 14.12 C ATOM 1245 CG LYS A 78 -5.374 -11.650 20.346 1.00 33.33 C ATOM 1246 CD LYS A 78 -6.516 -12.010 19.411 1.00 54.22 C ATOM 1247 CE LYS A 78 -7.858 -11.562 19.971 1.00 43.42 C ATOM 1248 NZ LYS A 78 -8.788 -12.708 20.166 1.00 11.22 N ATOM 0 H LYS A 78 -3.016 -8.717 19.162 1.00 14.23 H new ATOM 0 HA LYS A 78 -5.527 -9.465 18.341 1.00 74.35 H new ATOM 0 HB2 LYS A 78 -3.980 -11.175 18.796 1.00 14.12 H new ATOM 0 HB3 LYS A 78 -3.558 -10.521 20.366 1.00 14.12 H new ATOM 0 HG2 LYS A 78 -4.854 -12.557 20.652 1.00 33.33 H new ATOM 0 HG3 LYS A 78 -5.774 -11.191 21.250 1.00 33.33 H new ATOM 0 HD2 LYS A 78 -6.352 -11.544 18.439 1.00 54.22 H new ATOM 0 HD3 LYS A 78 -6.529 -13.088 19.250 1.00 54.22 H new ATOM 0 HE2 LYS A 78 -7.703 -11.054 20.923 1.00 43.42 H new ATOM 0 HE3 LYS A 78 -8.311 -10.838 19.294 1.00 43.42 H new ATOM 0 HZ1 LYS A 78 -9.691 -12.361 20.549 1.00 11.22 H new ATOM 0 HZ2 LYS A 78 -8.956 -13.178 19.253 1.00 11.22 H new ATOM 0 HZ3 LYS A 78 -8.367 -13.387 20.832 1.00 11.22 H new ATOM 1262 N GLY A 79 -5.527 -8.581 21.533 1.00 74.11 N ATOM 1263 CA GLY A 79 -6.403 -8.152 22.607 1.00 15.32 C ATOM 1264 C GLY A 79 -6.902 -6.733 22.417 1.00 50.03 C ATOM 1265 O GLY A 79 -7.882 -6.322 23.040 1.00 72.44 O ATOM 0 H GLY A 79 -4.535 -8.595 21.769 1.00 74.11 H new ATOM 0 HA2 GLY A 79 -7.256 -8.828 22.668 1.00 15.32 H new ATOM 0 HA3 GLY A 79 -5.871 -8.223 23.556 1.00 15.32 H new ATOM 1269 N LEU A 80 -6.226 -5.981 21.555 1.00 12.12 N ATOM 1270 CA LEU A 80 -6.605 -4.598 21.285 1.00 31.23 C ATOM 1271 C LEU A 80 -7.863 -4.536 20.425 1.00 34.54 C ATOM 1272 O LEU A 80 -8.652 -3.597 20.526 1.00 13.44 O ATOM 1273 CB LEU A 80 -5.460 -3.862 20.587 1.00 12.15 C ATOM 1274 CG LEU A 80 -4.588 -2.979 21.480 1.00 45.30 C ATOM 1275 CD1 LEU A 80 -3.571 -2.216 20.645 1.00 3.33 C ATOM 1276 CD2 LEU A 80 -5.449 -2.017 22.284 1.00 15.44 C ATOM 0 H LEU A 80 -5.413 -6.305 21.031 1.00 12.12 H new ATOM 0 HA LEU A 80 -6.814 -4.112 22.238 1.00 31.23 H new ATOM 0 HB2 LEU A 80 -4.820 -4.601 20.105 1.00 12.15 H new ATOM 0 HB3 LEU A 80 -5.882 -3.241 19.797 1.00 12.15 H new ATOM 0 HG LEU A 80 -4.049 -3.621 22.177 1.00 45.30 H new ATOM 0 HD11 LEU A 80 -2.959 -1.593 21.297 1.00 3.33 H new ATOM 0 HD12 LEU A 80 -2.933 -2.922 20.114 1.00 3.33 H new ATOM 0 HD13 LEU A 80 -4.092 -1.585 19.924 1.00 3.33 H new ATOM 0 HD21 LEU A 80 -4.811 -1.397 22.914 1.00 15.44 H new ATOM 0 HD22 LEU A 80 -6.016 -1.381 21.604 1.00 15.44 H new ATOM 0 HD23 LEU A 80 -6.138 -2.583 22.911 1.00 15.44 H new ATOM 1288 N LYS A 81 -8.046 -5.545 19.580 1.00 34.43 N ATOM 1289 CA LYS A 81 -9.210 -5.609 18.705 1.00 74.05 C ATOM 1290 C LYS A 81 -10.501 -5.445 19.502 1.00 65.04 C ATOM 1291 O LYS A 81 -11.279 -4.523 19.258 1.00 34.23 O ATOM 1292 CB LYS A 81 -9.232 -6.938 17.947 1.00 70.43 C ATOM 1293 CG LYS A 81 -8.601 -6.863 16.567 1.00 3.43 C ATOM 1294 CD LYS A 81 -9.605 -7.192 15.476 1.00 50.24 C ATOM 1295 CE LYS A 81 -8.919 -7.738 14.233 1.00 25.11 C ATOM 1296 NZ LYS A 81 -9.815 -7.704 13.044 1.00 25.11 N ATOM 0 H LYS A 81 -7.402 -6.330 19.483 1.00 34.43 H new ATOM 0 HA LYS A 81 -9.139 -4.790 17.989 1.00 74.05 H new ATOM 0 HB2 LYS A 81 -8.708 -7.691 18.536 1.00 70.43 H new ATOM 0 HB3 LYS A 81 -10.265 -7.272 17.847 1.00 70.43 H new ATOM 0 HG2 LYS A 81 -8.199 -5.863 16.404 1.00 3.43 H new ATOM 0 HG3 LYS A 81 -7.762 -7.556 16.512 1.00 3.43 H new ATOM 0 HD2 LYS A 81 -10.322 -7.924 15.848 1.00 50.24 H new ATOM 0 HD3 LYS A 81 -10.169 -6.296 15.217 1.00 50.24 H new ATOM 0 HE2 LYS A 81 -8.021 -7.155 14.028 1.00 25.11 H new ATOM 0 HE3 LYS A 81 -8.598 -8.763 14.416 1.00 25.11 H new ATOM 0 HZ1 LYS A 81 -9.310 -8.084 12.218 1.00 25.11 H new ATOM 0 HZ2 LYS A 81 -10.660 -8.281 13.229 1.00 25.11 H new ATOM 0 HZ3 LYS A 81 -10.101 -6.723 12.853 1.00 25.11 H new ATOM 1310 N VAL A 82 -10.720 -6.344 20.456 1.00 61.44 N ATOM 1311 CA VAL A 82 -11.914 -6.298 21.290 1.00 14.53 C ATOM 1312 C VAL A 82 -11.996 -4.984 22.059 1.00 14.32 C ATOM 1313 O VAL A 82 -12.992 -4.705 22.727 1.00 25.14 O ATOM 1314 CB VAL A 82 -11.946 -7.468 22.291 1.00 72.11 C ATOM 1315 CG1 VAL A 82 -11.330 -7.053 23.618 1.00 24.10 C ATOM 1316 CG2 VAL A 82 -13.371 -7.962 22.487 1.00 35.21 C ATOM 0 H VAL A 82 -10.085 -7.113 20.670 1.00 61.44 H new ATOM 0 HA VAL A 82 -12.771 -6.379 20.621 1.00 14.53 H new ATOM 0 HB VAL A 82 -11.354 -8.288 21.884 1.00 72.11 H new ATOM 0 HG11 VAL A 82 -11.362 -7.893 24.312 1.00 24.10 H new ATOM 0 HG12 VAL A 82 -10.294 -6.752 23.460 1.00 24.10 H new ATOM 0 HG13 VAL A 82 -11.892 -6.217 24.034 1.00 24.10 H new ATOM 0 HG21 VAL A 82 -13.375 -8.789 23.197 1.00 35.21 H new ATOM 0 HG22 VAL A 82 -13.988 -7.150 22.872 1.00 35.21 H new ATOM 0 HG23 VAL A 82 -13.773 -8.302 21.532 1.00 35.21 H new ATOM 1326 N MET A 83 -10.943 -4.179 21.959 1.00 33.22 N ATOM 1327 CA MET A 83 -10.897 -2.893 22.644 1.00 10.34 C ATOM 1328 C MET A 83 -11.116 -1.746 21.663 1.00 54.22 C ATOM 1329 O MET A 83 -11.137 -0.579 22.052 1.00 24.11 O ATOM 1330 CB MET A 83 -9.555 -2.719 23.358 1.00 11.12 C ATOM 1331 CG MET A 83 -9.553 -3.244 24.785 1.00 71.03 C ATOM 1332 SD MET A 83 -10.781 -2.431 25.826 1.00 65.22 S ATOM 1333 CE MET A 83 -9.880 -0.968 26.332 1.00 62.12 C ATOM 0 H MET A 83 -10.111 -4.395 21.410 1.00 33.22 H new ATOM 0 HA MET A 83 -11.699 -2.874 23.382 1.00 10.34 H new ATOM 0 HB2 MET A 83 -8.781 -3.234 22.789 1.00 11.12 H new ATOM 0 HB3 MET A 83 -9.293 -1.661 23.368 1.00 11.12 H new ATOM 0 HG2 MET A 83 -9.745 -4.317 24.774 1.00 71.03 H new ATOM 0 HG3 MET A 83 -8.563 -3.102 25.219 1.00 71.03 H new ATOM 0 HE1 MET A 83 -9.852 -0.916 27.420 1.00 62.12 H new ATOM 0 HE2 MET A 83 -8.862 -1.016 25.945 1.00 62.12 H new ATOM 0 HE3 MET A 83 -10.377 -0.081 25.939 1.00 62.12 H new ATOM 1343 N ASN A 84 -11.280 -2.086 20.389 1.00 60.54 N ATOM 1344 CA ASN A 84 -11.497 -1.084 19.351 1.00 21.44 C ATOM 1345 C ASN A 84 -10.319 -0.118 19.274 1.00 51.20 C ATOM 1346 O ASN A 84 -10.465 1.078 19.530 1.00 53.21 O ATOM 1347 CB ASN A 84 -12.789 -0.311 19.623 1.00 41.04 C ATOM 1348 CG ASN A 84 -14.016 -1.035 19.103 1.00 10.12 C ATOM 1349 OD1 ASN A 84 -14.110 -2.259 19.188 1.00 34.52 O ATOM 1350 ND2 ASN A 84 -14.964 -0.279 18.561 1.00 4.22 N ATOM 0 H ASN A 84 -11.267 -3.048 20.050 1.00 60.54 H new ATOM 0 HA ASN A 84 -11.584 -1.599 18.394 1.00 21.44 H new ATOM 0 HB2 ASN A 84 -12.893 -0.149 20.696 1.00 41.04 H new ATOM 0 HB3 ASN A 84 -12.726 0.672 19.157 1.00 41.04 H new ATOM 0 HD21 ASN A 84 -15.813 -0.710 18.194 1.00 4.22 H new ATOM 0 HD22 ASN A 84 -14.844 0.733 18.512 1.00 4.22 H new ATOM 1357 N LEU A 85 -9.152 -0.643 18.919 1.00 61.50 N ATOM 1358 CA LEU A 85 -7.948 0.172 18.807 1.00 42.43 C ATOM 1359 C LEU A 85 -7.346 0.065 17.409 1.00 1.42 C ATOM 1360 O LEU A 85 -6.136 0.210 17.230 1.00 22.50 O ATOM 1361 CB LEU A 85 -6.917 -0.257 19.852 1.00 35.44 C ATOM 1362 CG LEU A 85 -6.840 0.605 21.113 1.00 52.24 C ATOM 1363 CD1 LEU A 85 -6.933 2.081 20.756 1.00 21.41 C ATOM 1364 CD2 LEU A 85 -7.941 0.221 22.090 1.00 20.34 C ATOM 0 H LEU A 85 -9.014 -1.630 18.704 1.00 61.50 H new ATOM 0 HA LEU A 85 -8.226 1.211 18.985 1.00 42.43 H new ATOM 0 HB2 LEU A 85 -7.136 -1.282 20.150 1.00 35.44 H new ATOM 0 HB3 LEU A 85 -5.934 -0.265 19.381 1.00 35.44 H new ATOM 0 HG LEU A 85 -5.878 0.427 21.593 1.00 52.24 H new ATOM 0 HD11 LEU A 85 -6.877 2.680 21.665 1.00 21.41 H new ATOM 0 HD12 LEU A 85 -6.109 2.348 20.094 1.00 21.41 H new ATOM 0 HD13 LEU A 85 -7.880 2.275 20.252 1.00 21.41 H new ATOM 0 HD21 LEU A 85 -7.870 0.845 22.981 1.00 20.34 H new ATOM 0 HD22 LEU A 85 -8.913 0.369 21.619 1.00 20.34 H new ATOM 0 HD23 LEU A 85 -7.830 -0.826 22.370 1.00 20.34 H new ATOM 1376 N LEU A 86 -8.198 -0.186 16.422 1.00 60.04 N ATOM 1377 CA LEU A 86 -7.751 -0.310 15.038 1.00 1.14 C ATOM 1378 C LEU A 86 -7.104 0.985 14.557 1.00 24.33 C ATOM 1379 O LEU A 86 -6.459 1.015 13.510 1.00 70.14 O ATOM 1380 CB LEU A 86 -8.928 -0.672 14.132 1.00 74.43 C ATOM 1381 CG LEU A 86 -9.105 -2.160 13.824 1.00 54.43 C ATOM 1382 CD1 LEU A 86 -10.559 -2.468 13.498 1.00 65.01 C ATOM 1383 CD2 LEU A 86 -8.199 -2.578 12.675 1.00 10.11 C ATOM 0 H LEU A 86 -9.202 -0.308 16.553 1.00 60.04 H new ATOM 0 HA LEU A 86 -7.007 -1.105 14.992 1.00 1.14 H new ATOM 0 HB2 LEU A 86 -9.844 -0.306 14.596 1.00 74.43 H new ATOM 0 HB3 LEU A 86 -8.813 -0.137 13.189 1.00 74.43 H new ATOM 0 HG LEU A 86 -8.823 -2.731 14.709 1.00 54.43 H new ATOM 0 HD11 LEU A 86 -10.666 -3.531 13.282 1.00 65.01 H new ATOM 0 HD12 LEU A 86 -11.186 -2.206 14.350 1.00 65.01 H new ATOM 0 HD13 LEU A 86 -10.868 -1.888 12.628 1.00 65.01 H new ATOM 0 HD21 LEU A 86 -8.338 -3.639 12.470 1.00 10.11 H new ATOM 0 HD22 LEU A 86 -8.450 -2.000 11.785 1.00 10.11 H new ATOM 0 HD23 LEU A 86 -7.159 -2.394 12.946 1.00 10.11 H new ATOM 1395 N GLU A 87 -7.279 2.051 15.331 1.00 3.24 N ATOM 1396 CA GLU A 87 -6.710 3.348 14.984 1.00 42.11 C ATOM 1397 C GLU A 87 -5.211 3.232 14.720 1.00 33.11 C ATOM 1398 O GLU A 87 -4.773 3.189 13.570 1.00 53.44 O ATOM 1399 CB GLU A 87 -6.965 4.358 16.104 1.00 3.44 C ATOM 1400 CG GLU A 87 -6.381 5.734 15.828 1.00 25.35 C ATOM 1401 CD GLU A 87 -7.106 6.463 14.715 1.00 53.04 C ATOM 1402 OE1 GLU A 87 -8.182 7.037 14.983 1.00 73.21 O ATOM 1403 OE2 GLU A 87 -6.597 6.460 13.574 1.00 31.11 O ATOM 0 H GLU A 87 -7.810 2.042 16.202 1.00 3.24 H new ATOM 0 HA GLU A 87 -7.196 3.697 14.073 1.00 42.11 H new ATOM 0 HB2 GLU A 87 -8.040 4.453 16.258 1.00 3.44 H new ATOM 0 HB3 GLU A 87 -6.543 3.973 17.032 1.00 3.44 H new ATOM 0 HG2 GLU A 87 -6.425 6.332 16.738 1.00 25.35 H new ATOM 0 HG3 GLU A 87 -5.328 5.632 15.565 1.00 25.35 H new ATOM 1410 N LEU A 88 -4.430 3.182 15.793 1.00 30.33 N ATOM 1411 CA LEU A 88 -2.980 3.071 15.679 1.00 21.04 C ATOM 1412 C LEU A 88 -2.573 1.662 15.259 1.00 4.40 C ATOM 1413 O LEU A 88 -1.513 1.462 14.666 1.00 43.23 O ATOM 1414 CB LEU A 88 -2.315 3.431 17.009 1.00 32.23 C ATOM 1415 CG LEU A 88 -2.428 2.386 18.120 1.00 1.33 C ATOM 1416 CD1 LEU A 88 -3.885 2.033 18.375 1.00 10.54 C ATOM 1417 CD2 LEU A 88 -1.630 1.140 17.764 1.00 50.41 C ATOM 0 H LEU A 88 -4.776 3.217 16.752 1.00 30.33 H new ATOM 0 HA LEU A 88 -2.646 3.770 14.912 1.00 21.04 H new ATOM 0 HB2 LEU A 88 -1.258 3.623 16.824 1.00 32.23 H new ATOM 0 HB3 LEU A 88 -2.750 4.364 17.369 1.00 32.23 H new ATOM 0 HG LEU A 88 -2.013 2.810 19.034 1.00 1.33 H new ATOM 0 HD11 LEU A 88 -3.945 1.288 19.169 1.00 10.54 H new ATOM 0 HD12 LEU A 88 -4.429 2.928 18.676 1.00 10.54 H new ATOM 0 HD13 LEU A 88 -4.326 1.629 17.464 1.00 10.54 H new ATOM 0 HD21 LEU A 88 -1.722 0.408 18.566 1.00 50.41 H new ATOM 0 HD22 LEU A 88 -2.015 0.714 16.837 1.00 50.41 H new ATOM 0 HD23 LEU A 88 -0.581 1.405 17.633 1.00 50.41 H new ATOM 1429 N VAL A 89 -3.423 0.689 15.569 1.00 60.22 N ATOM 1430 CA VAL A 89 -3.154 -0.701 15.220 1.00 24.14 C ATOM 1431 C VAL A 89 -3.039 -0.877 13.710 1.00 1.24 C ATOM 1432 O VAL A 89 -2.296 -1.732 13.229 1.00 23.33 O ATOM 1433 CB VAL A 89 -4.255 -1.637 15.753 1.00 51.11 C ATOM 1434 CG1 VAL A 89 -4.251 -2.954 14.992 1.00 23.12 C ATOM 1435 CG2 VAL A 89 -4.078 -1.873 17.245 1.00 5.12 C ATOM 0 H VAL A 89 -4.304 0.837 16.061 1.00 60.22 H new ATOM 0 HA VAL A 89 -2.205 -0.966 15.686 1.00 24.14 H new ATOM 0 HB VAL A 89 -5.222 -1.158 15.597 1.00 51.11 H new ATOM 0 HG11 VAL A 89 -5.035 -3.602 15.383 1.00 23.12 H new ATOM 0 HG12 VAL A 89 -4.431 -2.763 13.934 1.00 23.12 H new ATOM 0 HG13 VAL A 89 -3.284 -3.441 15.113 1.00 23.12 H new ATOM 0 HG21 VAL A 89 -4.865 -2.536 17.604 1.00 5.12 H new ATOM 0 HG22 VAL A 89 -3.106 -2.330 17.428 1.00 5.12 H new ATOM 0 HG23 VAL A 89 -4.137 -0.921 17.773 1.00 5.12 H new ATOM 1445 N ASP A 90 -3.779 -0.061 12.968 1.00 72.33 N ATOM 1446 CA ASP A 90 -3.760 -0.125 11.511 1.00 41.01 C ATOM 1447 C ASP A 90 -2.342 -0.354 10.996 1.00 54.03 C ATOM 1448 O ASP A 90 -2.102 -1.257 10.195 1.00 23.35 O ATOM 1449 CB ASP A 90 -4.330 1.163 10.915 1.00 35.02 C ATOM 1450 CG ASP A 90 -4.829 0.973 9.496 1.00 14.22 C ATOM 1451 OD1 ASP A 90 -5.465 -0.067 9.225 1.00 13.45 O ATOM 1452 OD2 ASP A 90 -4.583 1.864 8.656 1.00 11.22 O ATOM 0 H ASP A 90 -4.399 0.652 13.351 1.00 72.33 H new ATOM 0 HA ASP A 90 -4.381 -0.965 11.201 1.00 41.01 H new ATOM 0 HB2 ASP A 90 -5.149 1.518 11.541 1.00 35.02 H new ATOM 0 HB3 ASP A 90 -3.562 1.936 10.926 1.00 35.02 H new ATOM 1457 N GLN A 91 -1.409 0.471 11.460 1.00 71.14 N ATOM 1458 CA GLN A 91 -0.016 0.359 11.044 1.00 71.22 C ATOM 1459 C GLN A 91 0.678 -0.788 11.771 1.00 64.12 C ATOM 1460 O GLN A 91 1.163 -1.731 11.144 1.00 30.43 O ATOM 1461 CB GLN A 91 0.725 1.670 11.310 1.00 12.22 C ATOM 1462 CG GLN A 91 0.516 2.717 10.228 1.00 3.42 C ATOM 1463 CD GLN A 91 1.584 2.667 9.154 1.00 63.15 C ATOM 1464 OE1 GLN A 91 2.616 2.014 9.317 1.00 14.21 O ATOM 1465 NE2 GLN A 91 1.343 3.357 8.045 1.00 14.43 N ATOM 0 H GLN A 91 -1.592 1.224 12.124 1.00 71.14 H new ATOM 0 HA GLN A 91 0.002 0.151 9.974 1.00 71.22 H new ATOM 0 HB2 GLN A 91 0.395 2.077 12.266 1.00 12.22 H new ATOM 0 HB3 GLN A 91 1.791 1.463 11.402 1.00 12.22 H new ATOM 0 HG2 GLN A 91 -0.462 2.570 9.770 1.00 3.42 H new ATOM 0 HG3 GLN A 91 0.509 3.708 10.683 1.00 3.42 H new ATOM 0 HE21 GLN A 91 0.475 3.885 7.951 1.00 14.43 H new ATOM 0 HE22 GLN A 91 2.026 3.359 7.287 1.00 14.43 H new ATOM 1474 N LEU A 92 0.724 -0.701 13.096 1.00 53.14 N ATOM 1475 CA LEU A 92 1.359 -1.732 13.909 1.00 45.41 C ATOM 1476 C LEU A 92 1.216 -3.104 13.259 1.00 53.02 C ATOM 1477 O LEU A 92 2.190 -3.845 13.127 1.00 50.41 O ATOM 1478 CB LEU A 92 0.748 -1.752 15.311 1.00 60.11 C ATOM 1479 CG LEU A 92 1.152 -2.927 16.202 1.00 3.13 C ATOM 1480 CD1 LEU A 92 0.394 -4.184 15.806 1.00 55.23 C ATOM 1481 CD2 LEU A 92 2.654 -3.162 16.126 1.00 11.14 C ATOM 0 H LEU A 92 0.329 0.073 13.630 1.00 53.14 H new ATOM 0 HA LEU A 92 2.421 -1.497 13.986 1.00 45.41 H new ATOM 0 HB2 LEU A 92 1.021 -0.827 15.818 1.00 60.11 H new ATOM 0 HB3 LEU A 92 -0.338 -1.753 15.213 1.00 60.11 H new ATOM 0 HG LEU A 92 0.894 -2.682 17.232 1.00 3.13 H new ATOM 0 HD11 LEU A 92 0.695 -5.009 16.451 1.00 55.23 H new ATOM 0 HD12 LEU A 92 -0.677 -4.012 15.913 1.00 55.23 H new ATOM 0 HD13 LEU A 92 0.620 -4.433 14.769 1.00 55.23 H new ATOM 0 HD21 LEU A 92 2.924 -4.002 16.766 1.00 11.14 H new ATOM 0 HD22 LEU A 92 2.936 -3.385 15.097 1.00 11.14 H new ATOM 0 HD23 LEU A 92 3.180 -2.268 16.460 1.00 11.14 H new ATOM 1493 N SER A 93 -0.006 -3.436 12.852 1.00 3.55 N ATOM 1494 CA SER A 93 -0.278 -4.720 12.217 1.00 4.42 C ATOM 1495 C SER A 93 0.427 -4.818 10.868 1.00 40.05 C ATOM 1496 O SER A 93 1.069 -5.823 10.561 1.00 30.21 O ATOM 1497 CB SER A 93 -1.784 -4.913 12.034 1.00 32.00 C ATOM 1498 OG SER A 93 -2.505 -4.357 13.120 1.00 74.22 O ATOM 0 H SER A 93 -0.823 -2.833 12.951 1.00 3.55 H new ATOM 0 HA SER A 93 0.105 -5.508 12.866 1.00 4.42 H new ATOM 0 HB2 SER A 93 -2.103 -4.444 11.103 1.00 32.00 H new ATOM 0 HB3 SER A 93 -2.010 -5.976 11.949 1.00 32.00 H new ATOM 0 HG SER A 93 -2.696 -3.413 12.937 1.00 74.22 H new ATOM 1504 N HIS A 94 0.302 -3.767 10.064 1.00 42.52 N ATOM 1505 CA HIS A 94 0.927 -3.733 8.746 1.00 1.13 C ATOM 1506 C HIS A 94 2.446 -3.657 8.867 1.00 22.43 C ATOM 1507 O HIS A 94 3.160 -3.681 7.864 1.00 21.23 O ATOM 1508 CB HIS A 94 0.408 -2.540 7.943 1.00 70.44 C ATOM 1509 CG HIS A 94 -0.582 -2.917 6.883 1.00 24.14 C ATOM 1510 ND1 HIS A 94 -0.782 -2.171 5.741 1.00 63.41 N ATOM 1511 CD2 HIS A 94 -1.429 -3.969 6.797 1.00 23.32 C ATOM 1512 CE1 HIS A 94 -1.710 -2.748 4.999 1.00 53.43 C ATOM 1513 NE2 HIS A 94 -2.119 -3.841 5.617 1.00 0.11 N ATOM 0 H HIS A 94 -0.226 -2.928 10.302 1.00 42.52 H new ATOM 0 HA HIS A 94 0.667 -4.654 8.224 1.00 1.13 H new ATOM 0 HB2 HIS A 94 -0.056 -1.827 8.625 1.00 70.44 H new ATOM 0 HB3 HIS A 94 1.252 -2.032 7.476 1.00 70.44 H new ATOM 0 HD2 HIS A 94 -1.541 -4.762 7.522 1.00 23.32 H new ATOM 0 HE1 HIS A 94 -2.073 -2.387 4.048 1.00 53.43 H new ATOM 0 HE2 HIS A 94 -2.831 -4.485 5.274 1.00 0.11 H new ATOM 1521 N ILE A 95 2.933 -3.566 10.100 1.00 12.43 N ATOM 1522 CA ILE A 95 4.366 -3.487 10.351 1.00 4.23 C ATOM 1523 C ILE A 95 4.865 -4.728 11.083 1.00 65.44 C ATOM 1524 O ILE A 95 6.062 -5.018 11.089 1.00 25.40 O ATOM 1525 CB ILE A 95 4.725 -2.238 11.179 1.00 64.52 C ATOM 1526 CG1 ILE A 95 4.223 -0.974 10.479 1.00 61.13 C ATOM 1527 CG2 ILE A 95 6.228 -2.165 11.402 1.00 25.31 C ATOM 1528 CD1 ILE A 95 4.528 0.298 11.238 1.00 43.45 C ATOM 0 H ILE A 95 2.356 -3.545 10.941 1.00 12.43 H new ATOM 0 HA ILE A 95 4.853 -3.421 9.378 1.00 4.23 H new ATOM 0 HB ILE A 95 4.236 -2.311 12.151 1.00 64.52 H new ATOM 0 HG12 ILE A 95 4.674 -0.914 9.488 1.00 61.13 H new ATOM 0 HG13 ILE A 95 3.145 -1.052 10.335 1.00 61.13 H new ATOM 0 HG21 ILE A 95 6.466 -1.278 11.988 1.00 25.31 H new ATOM 0 HG22 ILE A 95 6.560 -3.054 11.938 1.00 25.31 H new ATOM 0 HG23 ILE A 95 6.736 -2.111 10.439 1.00 25.31 H new ATOM 0 HD11 ILE A 95 4.143 1.154 10.683 1.00 43.45 H new ATOM 0 HD12 ILE A 95 4.054 0.259 12.219 1.00 43.45 H new ATOM 0 HD13 ILE A 95 5.606 0.399 11.360 1.00 43.45 H new