USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=12 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= -0.181 K(o=-0.18,f=-2.3!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0592) USER MOD Single : A 20 SER OG : rot -18:sc= 0.245 USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.111) USER MOD Single : A 31 LYS NZ :NH3+ -120:sc= -2.07 (180deg=-6!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -48:sc= -1.29 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= 1.05 (180deg=0.755) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 135:sc= -4.83! (180deg=-11.6!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= -0.154 USER MOD Single : A 94 HIS : no HE2:sc= 0.495 K(o=0.5,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 10.335 -3.593 16.387 1.00 34.04 N ATOM 165 CA ARG A 12 10.590 -3.364 17.804 1.00 33.34 C ATOM 166 C ARG A 12 10.116 -1.976 18.225 1.00 35.31 C ATOM 167 O ARG A 12 9.421 -1.826 19.230 1.00 44.32 O ATOM 168 CB ARG A 12 12.081 -3.519 18.107 1.00 21.04 C ATOM 169 CG ARG A 12 12.510 -4.959 18.334 1.00 23.44 C ATOM 170 CD ARG A 12 13.993 -5.150 18.053 1.00 14.25 C ATOM 171 NE ARG A 12 14.812 -4.885 19.233 1.00 12.51 N ATOM 172 CZ ARG A 12 16.127 -4.700 19.188 1.00 35.15 C ATOM 173 NH1 ARG A 12 16.768 -4.751 18.029 1.00 35.40 N ATOM 174 NH2 ARG A 12 16.803 -4.463 20.305 1.00 33.23 N ATOM 0 HA ARG A 12 10.031 -4.107 18.373 1.00 33.34 H new ATOM 0 HB2 ARG A 12 12.656 -3.104 17.280 1.00 21.04 H new ATOM 0 HB3 ARG A 12 12.326 -2.932 18.992 1.00 21.04 H new ATOM 0 HG2 ARG A 12 12.294 -5.246 19.363 1.00 23.44 H new ATOM 0 HG3 ARG A 12 11.929 -5.619 17.690 1.00 23.44 H new ATOM 0 HD2 ARG A 12 14.169 -6.170 17.711 1.00 14.25 H new ATOM 0 HD3 ARG A 12 14.297 -4.486 17.244 1.00 14.25 H new ATOM 0 HE ARG A 12 14.349 -4.839 20.141 1.00 12.51 H new ATOM 0 HH11 ARG A 12 16.252 -4.933 17.168 1.00 35.40 H new ATOM 0 HH12 ARG A 12 17.778 -4.609 17.998 1.00 35.40 H new ATOM 0 HH21 ARG A 12 16.313 -4.423 21.199 1.00 33.23 H new ATOM 0 HH22 ARG A 12 17.812 -4.321 20.270 1.00 33.23 H new ATOM 188 N GLU A 13 10.496 -0.966 17.449 1.00 22.13 N ATOM 189 CA GLU A 13 10.111 0.409 17.743 1.00 13.20 C ATOM 190 C GLU A 13 8.602 0.592 17.609 1.00 74.32 C ATOM 191 O GLU A 13 8.024 1.514 18.184 1.00 73.43 O ATOM 192 CB GLU A 13 10.838 1.377 16.807 1.00 12.12 C ATOM 193 CG GLU A 13 11.873 2.240 17.509 1.00 63.32 C ATOM 194 CD GLU A 13 12.129 3.548 16.786 1.00 1.01 C ATOM 195 OE1 GLU A 13 12.518 3.505 15.600 1.00 2.35 O ATOM 196 OE2 GLU A 13 11.940 4.615 17.407 1.00 35.11 O ATOM 0 H GLU A 13 11.070 -1.074 16.613 1.00 22.13 H new ATOM 0 HA GLU A 13 10.396 0.627 18.772 1.00 13.20 H new ATOM 0 HB2 GLU A 13 11.328 0.807 16.017 1.00 12.12 H new ATOM 0 HB3 GLU A 13 10.104 2.023 16.325 1.00 12.12 H new ATOM 0 HG2 GLU A 13 11.537 2.450 18.524 1.00 63.32 H new ATOM 0 HG3 GLU A 13 12.808 1.685 17.591 1.00 63.32 H new ATOM 203 N ALA A 14 7.970 -0.294 16.845 1.00 41.30 N ATOM 204 CA ALA A 14 6.529 -0.232 16.636 1.00 51.02 C ATOM 205 C ALA A 14 5.773 -0.572 17.916 1.00 43.10 C ATOM 206 O ALA A 14 4.770 0.062 18.244 1.00 55.43 O ATOM 207 CB ALA A 14 6.118 -1.172 15.513 1.00 72.45 C ATOM 0 H ALA A 14 8.434 -1.063 16.361 1.00 41.30 H new ATOM 0 HA ALA A 14 6.272 0.789 16.354 1.00 51.02 H new ATOM 0 HB1 ALA A 14 5.039 -1.116 15.368 1.00 72.45 H new ATOM 0 HB2 ALA A 14 6.624 -0.882 14.592 1.00 72.45 H new ATOM 0 HB3 ALA A 14 6.396 -2.193 15.773 1.00 72.45 H new ATOM 213 N LEU A 15 6.261 -1.576 18.636 1.00 74.20 N ATOM 214 CA LEU A 15 5.631 -2.001 19.881 1.00 35.32 C ATOM 215 C LEU A 15 5.712 -0.902 20.935 1.00 13.04 C ATOM 216 O LEU A 15 4.773 -0.695 21.706 1.00 61.31 O ATOM 217 CB LEU A 15 6.297 -3.275 20.404 1.00 73.21 C ATOM 218 CG LEU A 15 6.128 -3.557 21.897 1.00 13.33 C ATOM 219 CD1 LEU A 15 4.722 -4.057 22.190 1.00 13.04 C ATOM 220 CD2 LEU A 15 7.164 -4.565 22.371 1.00 61.55 C ATOM 0 H LEU A 15 7.091 -2.111 18.379 1.00 74.20 H new ATOM 0 HA LEU A 15 4.580 -2.206 19.676 1.00 35.32 H new ATOM 0 HB2 LEU A 15 5.899 -4.124 19.847 1.00 73.21 H new ATOM 0 HB3 LEU A 15 7.363 -3.220 20.184 1.00 73.21 H new ATOM 0 HG LEU A 15 6.281 -2.626 22.442 1.00 13.33 H new ATOM 0 HD11 LEU A 15 4.620 -4.252 23.258 1.00 13.04 H new ATOM 0 HD12 LEU A 15 3.997 -3.301 21.889 1.00 13.04 H new ATOM 0 HD13 LEU A 15 4.540 -4.977 21.634 1.00 13.04 H new ATOM 0 HD21 LEU A 15 7.028 -4.753 23.436 1.00 61.55 H new ATOM 0 HD22 LEU A 15 7.043 -5.497 21.820 1.00 61.55 H new ATOM 0 HD23 LEU A 15 8.164 -4.168 22.198 1.00 61.55 H new ATOM 232 N LEU A 16 6.838 -0.198 20.963 1.00 51.01 N ATOM 233 CA LEU A 16 7.041 0.883 21.921 1.00 22.13 C ATOM 234 C LEU A 16 6.109 2.054 21.627 1.00 30.14 C ATOM 235 O LEU A 16 5.495 2.614 22.535 1.00 33.24 O ATOM 236 CB LEU A 16 8.496 1.354 21.888 1.00 63.23 C ATOM 237 CG LEU A 16 9.552 0.260 21.726 1.00 62.31 C ATOM 238 CD1 LEU A 16 10.951 0.855 21.784 1.00 34.33 C ATOM 239 CD2 LEU A 16 9.380 -0.810 22.795 1.00 44.50 C ATOM 0 H LEU A 16 7.625 -0.356 20.333 1.00 51.01 H new ATOM 0 HA LEU A 16 6.812 0.501 22.916 1.00 22.13 H new ATOM 0 HB2 LEU A 16 8.609 2.064 21.069 1.00 63.23 H new ATOM 0 HB3 LEU A 16 8.702 1.897 22.811 1.00 63.23 H new ATOM 0 HG LEU A 16 9.418 -0.206 20.750 1.00 62.31 H new ATOM 0 HD11 LEU A 16 11.689 0.061 21.667 1.00 34.33 H new ATOM 0 HD12 LEU A 16 11.070 1.583 20.981 1.00 34.33 H new ATOM 0 HD13 LEU A 16 11.097 1.348 22.745 1.00 34.33 H new ATOM 0 HD21 LEU A 16 10.140 -1.580 22.664 1.00 44.50 H new ATOM 0 HD22 LEU A 16 9.486 -0.359 23.782 1.00 44.50 H new ATOM 0 HD23 LEU A 16 8.390 -1.258 22.706 1.00 44.50 H new ATOM 251 N TRP A 17 6.007 2.417 20.354 1.00 23.20 N ATOM 252 CA TRP A 17 5.148 3.520 19.940 1.00 13.13 C ATOM 253 C TRP A 17 3.679 3.111 19.982 1.00 4.41 C ATOM 254 O TRP A 17 2.804 3.934 20.249 1.00 41.20 O ATOM 255 CB TRP A 17 5.521 3.984 18.531 1.00 32.23 C ATOM 256 CG TRP A 17 4.856 5.266 18.132 1.00 0.55 C ATOM 257 CD1 TRP A 17 3.816 5.414 17.259 1.00 22.34 C ATOM 258 CD2 TRP A 17 5.187 6.582 18.591 1.00 62.14 C ATOM 259 NE1 TRP A 17 3.481 6.742 17.147 1.00 21.42 N ATOM 260 CE2 TRP A 17 4.307 7.479 17.954 1.00 34.44 C ATOM 261 CE3 TRP A 17 6.140 7.089 19.478 1.00 43.33 C ATOM 262 CZ2 TRP A 17 4.354 8.852 18.178 1.00 52.13 C ATOM 263 CZ3 TRP A 17 6.186 8.453 19.698 1.00 70.30 C ATOM 264 CH2 TRP A 17 5.297 9.321 19.051 1.00 10.40 C ATOM 0 H TRP A 17 6.509 1.964 19.590 1.00 23.20 H new ATOM 0 HA TRP A 17 5.297 4.345 20.637 1.00 13.13 H new ATOM 0 HB2 TRP A 17 6.602 4.110 18.472 1.00 32.23 H new ATOM 0 HB3 TRP A 17 5.252 3.206 17.817 1.00 32.23 H new ATOM 0 HD1 TRP A 17 3.329 4.606 16.734 1.00 22.34 H new ATOM 0 HE1 TRP A 17 2.738 7.118 16.558 1.00 21.42 H new ATOM 0 HE3 TRP A 17 6.828 6.427 19.983 1.00 43.33 H new ATOM 0 HZ2 TRP A 17 3.670 9.523 17.680 1.00 52.13 H new ATOM 0 HZ3 TRP A 17 6.920 8.856 20.380 1.00 70.30 H new ATOM 0 HH2 TRP A 17 5.357 10.382 19.245 1.00 10.40 H new ATOM 275 N ALA A 18 3.417 1.836 19.717 1.00 32.10 N ATOM 276 CA ALA A 18 2.054 1.318 19.727 1.00 42.41 C ATOM 277 C ALA A 18 1.530 1.180 21.152 1.00 31.12 C ATOM 278 O ALA A 18 0.556 1.831 21.533 1.00 43.44 O ATOM 279 CB ALA A 18 1.993 -0.021 19.007 1.00 0.15 C ATOM 0 H ALA A 18 4.130 1.142 19.493 1.00 32.10 H new ATOM 0 HA ALA A 18 1.417 2.029 19.201 1.00 42.41 H new ATOM 0 HB1 ALA A 18 0.970 -0.396 19.022 1.00 0.15 H new ATOM 0 HB2 ALA A 18 2.318 0.106 17.974 1.00 0.15 H new ATOM 0 HB3 ALA A 18 2.648 -0.734 19.508 1.00 0.15 H new ATOM 285 N LEU A 19 2.180 0.327 21.936 1.00 2.34 N ATOM 286 CA LEU A 19 1.779 0.103 23.321 1.00 71.42 C ATOM 287 C LEU A 19 1.673 1.422 24.078 1.00 1.42 C ATOM 288 O LEU A 19 0.934 1.530 25.057 1.00 44.41 O ATOM 289 CB LEU A 19 2.779 -0.820 24.019 1.00 22.40 C ATOM 290 CG LEU A 19 4.117 -0.190 24.406 1.00 2.35 C ATOM 291 CD1 LEU A 19 3.997 0.544 25.733 1.00 22.12 C ATOM 292 CD2 LEU A 19 5.206 -1.250 24.478 1.00 30.40 C ATOM 0 H LEU A 19 2.987 -0.221 21.637 1.00 2.34 H new ATOM 0 HA LEU A 19 0.798 -0.371 23.317 1.00 71.42 H new ATOM 0 HB2 LEU A 19 2.311 -1.214 24.921 1.00 22.40 H new ATOM 0 HB3 LEU A 19 2.976 -1.670 23.365 1.00 22.40 H new ATOM 0 HG LEU A 19 4.392 0.532 23.637 1.00 2.35 H new ATOM 0 HD11 LEU A 19 4.959 0.986 25.993 1.00 22.12 H new ATOM 0 HD12 LEU A 19 3.247 1.331 25.647 1.00 22.12 H new ATOM 0 HD13 LEU A 19 3.699 -0.158 26.511 1.00 22.12 H new ATOM 0 HD21 LEU A 19 6.151 -0.783 24.755 1.00 30.40 H new ATOM 0 HD22 LEU A 19 4.938 -1.997 25.225 1.00 30.40 H new ATOM 0 HD23 LEU A 19 5.310 -1.731 23.505 1.00 30.40 H new ATOM 304 N SER A 20 2.415 2.424 23.617 1.00 10.43 N ATOM 305 CA SER A 20 2.406 3.737 24.252 1.00 11.11 C ATOM 306 C SER A 20 1.372 4.649 23.599 1.00 12.21 C ATOM 307 O SER A 20 1.010 5.689 24.149 1.00 11.51 O ATOM 308 CB SER A 20 3.793 4.377 24.168 1.00 12.30 C ATOM 309 OG SER A 20 3.811 5.641 24.809 1.00 31.01 O ATOM 0 H SER A 20 3.030 2.352 22.806 1.00 10.43 H new ATOM 0 HA SER A 20 2.138 3.605 25.300 1.00 11.11 H new ATOM 0 HB2 SER A 20 4.529 3.720 24.632 1.00 12.30 H new ATOM 0 HB3 SER A 20 4.082 4.491 23.123 1.00 12.30 H new ATOM 0 HG SER A 20 2.893 5.968 24.913 1.00 31.01 H new ATOM 315 N ASP A 21 0.901 4.251 22.423 1.00 54.35 N ATOM 316 CA ASP A 21 -0.093 5.031 21.693 1.00 2.13 C ATOM 317 C ASP A 21 -1.478 4.858 22.309 1.00 41.43 C ATOM 318 O ASP A 21 -2.444 5.489 21.877 1.00 70.44 O ATOM 319 CB ASP A 21 -0.119 4.615 20.222 1.00 73.12 C ATOM 320 CG ASP A 21 0.318 5.733 19.296 1.00 62.10 C ATOM 321 OD1 ASP A 21 1.538 5.867 19.063 1.00 34.13 O ATOM 322 OD2 ASP A 21 -0.559 6.474 18.805 1.00 42.33 O ATOM 0 H ASP A 21 1.191 3.393 21.954 1.00 54.35 H new ATOM 0 HA ASP A 21 0.186 6.083 21.759 1.00 2.13 H new ATOM 0 HB2 ASP A 21 0.533 3.753 20.080 1.00 73.12 H new ATOM 0 HB3 ASP A 21 -1.127 4.299 19.955 1.00 73.12 H new ATOM 327 N LEU A 22 -1.568 4.000 23.319 1.00 40.23 N ATOM 328 CA LEU A 22 -2.836 3.743 23.994 1.00 45.14 C ATOM 329 C LEU A 22 -2.767 4.162 25.459 1.00 71.04 C ATOM 330 O LEU A 22 -1.684 4.282 26.029 1.00 4.32 O ATOM 331 CB LEU A 22 -3.199 2.261 23.892 1.00 63.34 C ATOM 332 CG LEU A 22 -2.026 1.280 23.903 1.00 23.12 C ATOM 333 CD1 LEU A 22 -2.266 0.172 24.917 1.00 1.44 C ATOM 334 CD2 LEU A 22 -1.805 0.696 22.515 1.00 21.04 C ATOM 0 H LEU A 22 -0.779 3.470 23.689 1.00 40.23 H new ATOM 0 HA LEU A 22 -3.608 4.334 23.502 1.00 45.14 H new ATOM 0 HB2 LEU A 22 -3.862 2.012 24.720 1.00 63.34 H new ATOM 0 HB3 LEU A 22 -3.765 2.109 22.973 1.00 63.34 H new ATOM 0 HG LEU A 22 -1.127 1.823 24.194 1.00 23.12 H new ATOM 0 HD11 LEU A 22 -1.421 -0.516 24.911 1.00 1.44 H new ATOM 0 HD12 LEU A 22 -2.373 0.606 25.911 1.00 1.44 H new ATOM 0 HD13 LEU A 22 -3.176 -0.368 24.657 1.00 1.44 H new ATOM 0 HD21 LEU A 22 -0.966 0.000 22.542 1.00 21.04 H new ATOM 0 HD22 LEU A 22 -2.704 0.169 22.195 1.00 21.04 H new ATOM 0 HD23 LEU A 22 -1.586 1.500 21.812 1.00 21.04 H new ATOM 346 N GLU A 23 -3.932 4.380 26.061 1.00 3.44 N ATOM 347 CA GLU A 23 -4.003 4.784 27.461 1.00 41.33 C ATOM 348 C GLU A 23 -3.712 3.604 28.383 1.00 1.02 C ATOM 349 O GLU A 23 -3.735 2.450 27.957 1.00 53.02 O ATOM 350 CB GLU A 23 -5.383 5.365 27.777 1.00 4.24 C ATOM 351 CG GLU A 23 -5.617 6.740 27.175 1.00 2.42 C ATOM 352 CD GLU A 23 -6.310 7.687 28.136 1.00 43.54 C ATOM 353 OE1 GLU A 23 -7.531 7.533 28.345 1.00 21.40 O ATOM 354 OE2 GLU A 23 -5.630 8.584 28.678 1.00 23.31 O ATOM 0 H GLU A 23 -4.838 4.284 25.602 1.00 3.44 H new ATOM 0 HA GLU A 23 -3.246 5.550 27.631 1.00 41.33 H new ATOM 0 HB2 GLU A 23 -6.148 4.682 27.409 1.00 4.24 H new ATOM 0 HB3 GLU A 23 -5.503 5.426 28.859 1.00 4.24 H new ATOM 0 HG2 GLU A 23 -4.661 7.169 26.875 1.00 2.42 H new ATOM 0 HG3 GLU A 23 -6.219 6.640 26.272 1.00 2.42 H new ATOM 361 N GLU A 24 -3.437 3.903 29.649 1.00 14.40 N ATOM 362 CA GLU A 24 -3.140 2.867 30.631 1.00 14.31 C ATOM 363 C GLU A 24 -4.386 2.044 30.948 1.00 40.54 C ATOM 364 O GLU A 24 -4.303 0.840 31.186 1.00 52.44 O ATOM 365 CB GLU A 24 -2.589 3.493 31.914 1.00 33.33 C ATOM 366 CG GLU A 24 -1.663 4.672 31.668 1.00 60.43 C ATOM 367 CD GLU A 24 -2.366 6.007 31.815 1.00 73.15 C ATOM 368 OE1 GLU A 24 -2.516 6.475 32.963 1.00 73.42 O ATOM 369 OE2 GLU A 24 -2.767 6.584 30.782 1.00 22.21 O ATOM 0 H GLU A 24 -3.414 4.854 30.018 1.00 14.40 H new ATOM 0 HA GLU A 24 -2.387 2.204 30.206 1.00 14.31 H new ATOM 0 HB2 GLU A 24 -3.423 3.820 32.535 1.00 33.33 H new ATOM 0 HB3 GLU A 24 -2.051 2.731 32.478 1.00 33.33 H new ATOM 0 HG2 GLU A 24 -0.829 4.626 32.368 1.00 60.43 H new ATOM 0 HG3 GLU A 24 -1.242 4.596 30.665 1.00 60.43 H new ATOM 376 N ASN A 25 -5.540 2.705 30.949 1.00 65.44 N ATOM 377 CA ASN A 25 -6.803 2.035 31.237 1.00 41.41 C ATOM 378 C ASN A 25 -7.246 1.178 30.055 1.00 32.14 C ATOM 379 O ASN A 25 -8.344 0.620 30.057 1.00 24.03 O ATOM 380 CB ASN A 25 -7.885 3.065 31.569 1.00 71.31 C ATOM 381 CG ASN A 25 -7.917 3.414 33.044 1.00 13.41 C ATOM 382 OD1 ASN A 25 -7.308 2.733 33.869 1.00 71.45 O ATOM 383 ND2 ASN A 25 -8.631 4.482 33.384 1.00 64.14 N ATOM 0 H ASN A 25 -5.626 3.702 30.754 1.00 65.44 H new ATOM 0 HA ASN A 25 -6.653 1.384 32.098 1.00 41.41 H new ATOM 0 HB2 ASN A 25 -7.711 3.971 30.988 1.00 71.31 H new ATOM 0 HB3 ASN A 25 -8.858 2.675 31.269 1.00 71.31 H new ATOM 0 HD21 ASN A 25 -8.690 4.766 34.362 1.00 64.14 H new ATOM 0 HD22 ASN A 25 -9.120 5.018 32.667 1.00 64.14 H new ATOM 390 N ASP A 26 -6.385 1.077 29.049 1.00 54.44 N ATOM 391 CA ASP A 26 -6.687 0.287 27.861 1.00 63.30 C ATOM 392 C ASP A 26 -5.751 -0.914 27.756 1.00 52.35 C ATOM 393 O ASP A 26 -6.199 -2.057 27.671 1.00 60.42 O ATOM 394 CB ASP A 26 -6.572 1.151 26.604 1.00 23.32 C ATOM 395 CG ASP A 26 -7.789 2.030 26.393 1.00 64.35 C ATOM 396 OD1 ASP A 26 -8.858 1.489 26.040 1.00 22.42 O ATOM 397 OD2 ASP A 26 -7.672 3.259 26.580 1.00 31.40 O ATOM 0 H ASP A 26 -5.472 1.532 29.032 1.00 54.44 H new ATOM 0 HA ASP A 26 -7.710 -0.078 27.948 1.00 63.30 H new ATOM 0 HB2 ASP A 26 -5.683 1.778 26.677 1.00 23.32 H new ATOM 0 HB3 ASP A 26 -6.437 0.507 25.735 1.00 23.32 H new ATOM 402 N PHE A 27 -4.450 -0.645 27.760 1.00 23.22 N ATOM 403 CA PHE A 27 -3.451 -1.703 27.663 1.00 44.10 C ATOM 404 C PHE A 27 -3.574 -2.676 28.832 1.00 65.34 C ATOM 405 O PHE A 27 -3.430 -3.888 28.664 1.00 44.41 O ATOM 406 CB PHE A 27 -2.043 -1.103 27.630 1.00 14.12 C ATOM 407 CG PHE A 27 -1.233 -1.409 28.857 1.00 44.20 C ATOM 408 CD1 PHE A 27 -0.446 -2.548 28.917 1.00 5.41 C ATOM 409 CD2 PHE A 27 -1.257 -0.557 29.950 1.00 70.42 C ATOM 410 CE1 PHE A 27 0.301 -2.832 30.045 1.00 12.31 C ATOM 411 CE2 PHE A 27 -0.512 -0.836 31.080 1.00 34.15 C ATOM 412 CZ PHE A 27 0.268 -1.974 31.128 1.00 64.44 C ATOM 0 H PHE A 27 -4.063 0.296 27.829 1.00 23.22 H new ATOM 0 HA PHE A 27 -3.627 -2.251 26.737 1.00 44.10 H new ATOM 0 HB2 PHE A 27 -1.516 -1.480 26.753 1.00 14.12 H new ATOM 0 HB3 PHE A 27 -2.120 -0.022 27.515 1.00 14.12 H new ATOM 0 HD1 PHE A 27 -0.416 -3.221 28.073 1.00 5.41 H new ATOM 0 HD2 PHE A 27 -1.865 0.335 29.918 1.00 70.42 H new ATOM 0 HE1 PHE A 27 0.910 -3.723 30.080 1.00 12.31 H new ATOM 0 HE2 PHE A 27 -0.540 -0.164 31.925 1.00 34.15 H new ATOM 0 HZ PHE A 27 0.851 -2.193 32.010 1.00 64.44 H new ATOM 422 N LYS A 28 -3.840 -2.138 30.017 1.00 51.13 N ATOM 423 CA LYS A 28 -3.984 -2.956 31.215 1.00 64.43 C ATOM 424 C LYS A 28 -5.177 -3.899 31.090 1.00 3.43 C ATOM 425 O LYS A 28 -5.089 -5.078 31.434 1.00 2.53 O ATOM 426 CB LYS A 28 -4.150 -2.066 32.449 1.00 65.54 C ATOM 427 CG LYS A 28 -4.886 -2.743 33.592 1.00 54.33 C ATOM 428 CD LYS A 28 -6.377 -2.451 33.544 1.00 21.13 C ATOM 429 CE LYS A 28 -6.861 -1.811 34.837 1.00 60.44 C ATOM 430 NZ LYS A 28 -6.270 -0.460 35.042 1.00 61.10 N ATOM 0 H LYS A 28 -3.960 -1.137 30.174 1.00 51.13 H new ATOM 0 HA LYS A 28 -3.080 -3.555 31.326 1.00 64.43 H new ATOM 0 HB2 LYS A 28 -3.165 -1.754 32.796 1.00 65.54 H new ATOM 0 HB3 LYS A 28 -4.689 -1.162 32.165 1.00 65.54 H new ATOM 0 HG2 LYS A 28 -4.723 -3.820 33.544 1.00 54.33 H new ATOM 0 HG3 LYS A 28 -4.477 -2.401 34.543 1.00 54.33 H new ATOM 0 HD2 LYS A 28 -6.592 -1.788 32.706 1.00 21.13 H new ATOM 0 HD3 LYS A 28 -6.925 -3.377 33.367 1.00 21.13 H new ATOM 0 HE2 LYS A 28 -7.948 -1.733 34.819 1.00 60.44 H new ATOM 0 HE3 LYS A 28 -6.601 -2.453 35.679 1.00 60.44 H new ATOM 0 HZ1 LYS A 28 -6.792 0.037 35.792 1.00 61.10 H new ATOM 0 HZ2 LYS A 28 -5.272 -0.556 35.320 1.00 61.10 H new ATOM 0 HZ3 LYS A 28 -6.332 0.084 34.158 1.00 61.10 H new ATOM 444 N LYS A 29 -6.292 -3.372 30.595 1.00 5.12 N ATOM 445 CA LYS A 29 -7.502 -4.166 30.422 1.00 12.22 C ATOM 446 C LYS A 29 -7.218 -5.419 29.601 1.00 72.32 C ATOM 447 O LYS A 29 -7.765 -6.489 29.872 1.00 32.03 O ATOM 448 CB LYS A 29 -8.590 -3.333 29.741 1.00 52.50 C ATOM 449 CG LYS A 29 -9.800 -3.074 30.623 1.00 44.24 C ATOM 450 CD LYS A 29 -9.419 -2.313 31.882 1.00 53.24 C ATOM 451 CE LYS A 29 -10.491 -1.305 32.269 1.00 44.23 C ATOM 452 NZ LYS A 29 -11.828 -1.944 32.412 1.00 61.12 N ATOM 0 H LYS A 29 -6.382 -2.398 30.307 1.00 5.12 H new ATOM 0 HA LYS A 29 -7.850 -4.471 31.409 1.00 12.22 H new ATOM 0 HB2 LYS A 29 -8.165 -2.378 29.432 1.00 52.50 H new ATOM 0 HB3 LYS A 29 -8.914 -3.845 28.835 1.00 52.50 H new ATOM 0 HG2 LYS A 29 -10.544 -2.506 30.064 1.00 44.24 H new ATOM 0 HG3 LYS A 29 -10.262 -4.023 30.896 1.00 44.24 H new ATOM 0 HD2 LYS A 29 -9.266 -3.016 32.701 1.00 53.24 H new ATOM 0 HD3 LYS A 29 -8.472 -1.797 31.724 1.00 53.24 H new ATOM 0 HE2 LYS A 29 -10.216 -0.825 33.208 1.00 44.23 H new ATOM 0 HE3 LYS A 29 -10.542 -0.521 31.513 1.00 44.23 H new ATOM 0 HZ1 LYS A 29 -12.493 -1.267 32.837 1.00 61.12 H new ATOM 0 HZ2 LYS A 29 -12.178 -2.231 31.475 1.00 61.12 H new ATOM 0 HZ3 LYS A 29 -11.749 -2.782 33.023 1.00 61.12 H new ATOM 466 N LEU A 30 -6.359 -5.281 28.597 1.00 72.11 N ATOM 467 CA LEU A 30 -6.001 -6.403 27.737 1.00 61.45 C ATOM 468 C LEU A 30 -5.041 -7.351 28.449 1.00 50.12 C ATOM 469 O LEU A 30 -5.294 -8.552 28.545 1.00 0.02 O ATOM 470 CB LEU A 30 -5.366 -5.896 26.441 1.00 55.35 C ATOM 471 CG LEU A 30 -5.693 -4.453 26.054 1.00 52.14 C ATOM 472 CD1 LEU A 30 -5.021 -4.087 24.740 1.00 65.24 C ATOM 473 CD2 LEU A 30 -7.199 -4.254 25.957 1.00 22.45 C ATOM 0 H LEU A 30 -5.898 -4.403 28.359 1.00 72.11 H new ATOM 0 HA LEU A 30 -6.913 -6.950 27.498 1.00 61.45 H new ATOM 0 HB2 LEU A 30 -4.284 -5.991 26.528 1.00 55.35 H new ATOM 0 HB3 LEU A 30 -5.679 -6.549 25.627 1.00 55.35 H new ATOM 0 HG LEU A 30 -5.308 -3.793 26.832 1.00 52.14 H new ATOM 0 HD11 LEU A 30 -5.265 -3.057 24.481 1.00 65.24 H new ATOM 0 HD12 LEU A 30 -3.941 -4.189 24.843 1.00 65.24 H new ATOM 0 HD13 LEU A 30 -5.375 -4.753 23.953 1.00 65.24 H new ATOM 0 HD21 LEU A 30 -7.413 -3.221 25.681 1.00 22.45 H new ATOM 0 HD22 LEU A 30 -7.607 -4.924 25.200 1.00 22.45 H new ATOM 0 HD23 LEU A 30 -7.658 -4.474 26.921 1.00 22.45 H new ATOM 485 N LYS A 31 -3.939 -6.803 28.949 1.00 42.52 N ATOM 486 CA LYS A 31 -2.941 -7.597 29.656 1.00 15.11 C ATOM 487 C LYS A 31 -3.574 -8.355 30.818 1.00 34.34 C ATOM 488 O LYS A 31 -3.081 -9.406 31.230 1.00 42.44 O ATOM 489 CB LYS A 31 -1.816 -6.698 30.173 1.00 50.34 C ATOM 490 CG LYS A 31 -1.078 -5.955 29.073 1.00 42.35 C ATOM 491 CD LYS A 31 -0.342 -6.912 28.150 1.00 40.11 C ATOM 492 CE LYS A 31 0.182 -6.200 26.912 1.00 24.31 C ATOM 493 NZ LYS A 31 -0.920 -5.621 26.096 1.00 15.24 N ATOM 0 H LYS A 31 -3.714 -5.811 28.878 1.00 42.52 H new ATOM 0 HA LYS A 31 -2.526 -8.321 28.955 1.00 15.11 H new ATOM 0 HB2 LYS A 31 -2.233 -5.974 30.873 1.00 50.34 H new ATOM 0 HB3 LYS A 31 -1.104 -7.306 30.731 1.00 50.34 H new ATOM 0 HG2 LYS A 31 -1.787 -5.363 28.494 1.00 42.35 H new ATOM 0 HG3 LYS A 31 -0.368 -5.258 29.517 1.00 42.35 H new ATOM 0 HD2 LYS A 31 0.489 -7.370 28.687 1.00 40.11 H new ATOM 0 HD3 LYS A 31 -1.012 -7.718 27.851 1.00 40.11 H new ATOM 0 HE2 LYS A 31 0.867 -5.407 27.212 1.00 24.31 H new ATOM 0 HE3 LYS A 31 0.754 -6.902 26.304 1.00 24.31 H new ATOM 0 HZ1 LYS A 31 -0.904 -6.040 25.144 1.00 15.24 H new ATOM 0 HZ2 LYS A 31 -1.833 -5.827 26.550 1.00 15.24 H new ATOM 0 HZ3 LYS A 31 -0.794 -4.591 26.023 1.00 15.24 H new ATOM 507 N PHE A 32 -4.670 -7.817 31.343 1.00 35.41 N ATOM 508 CA PHE A 32 -5.371 -8.444 32.458 1.00 72.11 C ATOM 509 C PHE A 32 -6.042 -9.742 32.018 1.00 25.51 C ATOM 510 O PHE A 32 -5.890 -10.781 32.661 1.00 24.24 O ATOM 511 CB PHE A 32 -6.417 -7.487 33.034 1.00 42.24 C ATOM 512 CG PHE A 32 -7.157 -8.047 34.214 1.00 21.13 C ATOM 513 CD1 PHE A 32 -6.482 -8.380 35.378 1.00 43.43 C ATOM 514 CD2 PHE A 32 -8.528 -8.241 34.161 1.00 2.22 C ATOM 515 CE1 PHE A 32 -7.160 -8.896 36.465 1.00 34.13 C ATOM 516 CE2 PHE A 32 -9.212 -8.757 35.246 1.00 40.42 C ATOM 517 CZ PHE A 32 -8.527 -9.084 36.400 1.00 53.33 C ATOM 0 H PHE A 32 -5.092 -6.948 31.014 1.00 35.41 H new ATOM 0 HA PHE A 32 -4.638 -8.678 33.230 1.00 72.11 H new ATOM 0 HB2 PHE A 32 -5.926 -6.560 33.330 1.00 42.24 H new ATOM 0 HB3 PHE A 32 -7.134 -7.233 32.253 1.00 42.24 H new ATOM 0 HD1 PHE A 32 -5.413 -8.234 35.436 1.00 43.43 H new ATOM 0 HD2 PHE A 32 -9.069 -7.986 33.261 1.00 2.22 H new ATOM 0 HE1 PHE A 32 -6.622 -9.152 37.365 1.00 34.13 H new ATOM 0 HE2 PHE A 32 -10.281 -8.904 35.191 1.00 40.42 H new ATOM 0 HZ PHE A 32 -9.059 -9.486 37.250 1.00 53.33 H new ATOM 527 N TYR A 33 -6.784 -9.675 30.919 1.00 44.15 N ATOM 528 CA TYR A 33 -7.480 -10.843 30.394 1.00 72.35 C ATOM 529 C TYR A 33 -6.649 -11.535 29.318 1.00 61.34 C ATOM 530 O TYR A 33 -6.373 -12.733 29.404 1.00 43.44 O ATOM 531 CB TYR A 33 -8.840 -10.438 29.821 1.00 22.35 C ATOM 532 CG TYR A 33 -9.853 -11.560 29.816 1.00 31.52 C ATOM 533 CD1 TYR A 33 -9.723 -12.636 28.947 1.00 71.41 C ATOM 534 CD2 TYR A 33 -10.940 -11.545 30.682 1.00 72.14 C ATOM 535 CE1 TYR A 33 -10.647 -13.663 28.938 1.00 30.43 C ATOM 536 CE2 TYR A 33 -11.868 -12.568 30.681 1.00 72.51 C ATOM 537 CZ TYR A 33 -11.718 -13.625 29.807 1.00 24.01 C ATOM 538 OH TYR A 33 -12.639 -14.647 29.803 1.00 53.24 O ATOM 0 H TYR A 33 -6.919 -8.823 30.374 1.00 44.15 H new ATOM 0 HA TYR A 33 -7.633 -11.543 31.216 1.00 72.35 H new ATOM 0 HB2 TYR A 33 -9.236 -9.605 30.402 1.00 22.35 H new ATOM 0 HB3 TYR A 33 -8.703 -10.079 28.801 1.00 22.35 H new ATOM 0 HD1 TYR A 33 -8.885 -12.670 28.267 1.00 71.41 H new ATOM 0 HD2 TYR A 33 -11.061 -10.719 31.367 1.00 72.14 H new ATOM 0 HE1 TYR A 33 -10.532 -14.491 28.254 1.00 30.43 H new ATOM 0 HE2 TYR A 33 -12.707 -12.541 31.361 1.00 72.51 H new ATOM 0 HH TYR A 33 -13.329 -14.468 30.475 1.00 53.24 H new ATOM 548 N LEU A 34 -6.252 -10.773 28.305 1.00 51.04 N ATOM 549 CA LEU A 34 -5.451 -11.311 27.210 1.00 10.34 C ATOM 550 C LEU A 34 -4.216 -12.031 27.742 1.00 34.34 C ATOM 551 O LEU A 34 -4.013 -13.215 27.474 1.00 20.53 O ATOM 552 CB LEU A 34 -5.031 -10.188 26.260 1.00 5.14 C ATOM 553 CG LEU A 34 -5.492 -10.328 24.809 1.00 22.53 C ATOM 554 CD1 LEU A 34 -4.724 -11.440 24.111 1.00 74.05 C ATOM 555 CD2 LEU A 34 -6.989 -10.592 24.749 1.00 73.21 C ATOM 0 H LEU A 34 -6.471 -9.781 28.219 1.00 51.04 H new ATOM 0 HA LEU A 34 -6.062 -12.031 26.665 1.00 10.34 H new ATOM 0 HB2 LEU A 34 -5.413 -9.246 26.652 1.00 5.14 H new ATOM 0 HB3 LEU A 34 -3.943 -10.119 26.269 1.00 5.14 H new ATOM 0 HG LEU A 34 -5.287 -9.392 24.290 1.00 22.53 H new ATOM 0 HD11 LEU A 34 -5.065 -11.526 23.079 1.00 74.05 H new ATOM 0 HD12 LEU A 34 -3.659 -11.210 24.123 1.00 74.05 H new ATOM 0 HD13 LEU A 34 -4.897 -12.383 24.630 1.00 74.05 H new ATOM 0 HD21 LEU A 34 -7.300 -10.689 23.709 1.00 73.21 H new ATOM 0 HD22 LEU A 34 -7.218 -11.514 25.284 1.00 73.21 H new ATOM 0 HD23 LEU A 34 -7.524 -9.762 25.212 1.00 73.21 H new ATOM 567 N ARG A 35 -3.396 -11.309 28.499 1.00 34.31 N ATOM 568 CA ARG A 35 -2.182 -11.880 29.070 1.00 73.01 C ATOM 569 C ARG A 35 -2.515 -13.024 30.023 1.00 74.54 C ATOM 570 O ARG A 35 -1.804 -14.028 30.076 1.00 1.22 O ATOM 571 CB ARG A 35 -1.385 -10.803 29.808 1.00 33.13 C ATOM 572 CG ARG A 35 0.095 -10.797 29.463 1.00 10.03 C ATOM 573 CD ARG A 35 0.958 -10.719 30.713 1.00 51.30 C ATOM 574 NE ARG A 35 1.102 -9.347 31.194 1.00 73.13 N ATOM 575 CZ ARG A 35 0.378 -8.836 32.184 1.00 45.23 C ATOM 576 NH1 ARG A 35 -0.534 -9.579 32.795 1.00 41.31 N ATOM 577 NH2 ARG A 35 0.568 -7.579 32.564 1.00 13.25 N ATOM 0 H ARG A 35 -3.550 -10.328 28.731 1.00 34.31 H new ATOM 0 HA ARG A 35 -1.577 -12.275 28.254 1.00 73.01 H new ATOM 0 HB2 ARG A 35 -1.808 -9.826 29.574 1.00 33.13 H new ATOM 0 HB3 ARG A 35 -1.498 -10.951 30.882 1.00 33.13 H new ATOM 0 HG2 ARG A 35 0.343 -11.699 28.904 1.00 10.03 H new ATOM 0 HG3 ARG A 35 0.315 -9.949 28.814 1.00 10.03 H new ATOM 0 HD2 ARG A 35 0.516 -11.334 31.497 1.00 51.30 H new ATOM 0 HD3 ARG A 35 1.943 -11.134 30.500 1.00 51.30 H new ATOM 0 HE ARG A 35 1.796 -8.749 30.745 1.00 73.13 H new ATOM 0 HH11 ARG A 35 -0.682 -10.546 32.505 1.00 41.31 H new ATOM 0 HH12 ARG A 35 -1.088 -9.184 33.555 1.00 41.31 H new ATOM 0 HH21 ARG A 35 1.270 -7.005 32.096 1.00 13.25 H new ATOM 0 HH22 ARG A 35 0.012 -7.186 33.324 1.00 13.25 H new ATOM 591 N ASP A 36 -3.600 -12.866 30.773 1.00 73.24 N ATOM 592 CA ASP A 36 -4.028 -13.886 31.723 1.00 13.01 C ATOM 593 C ASP A 36 -4.084 -15.258 31.059 1.00 21.43 C ATOM 594 O ASP A 36 -3.542 -16.233 31.580 1.00 45.31 O ATOM 595 CB ASP A 36 -5.398 -13.530 32.303 1.00 31.30 C ATOM 596 CG ASP A 36 -6.153 -14.750 32.796 1.00 44.44 C ATOM 597 OD1 ASP A 36 -5.515 -15.640 33.397 1.00 42.43 O ATOM 598 OD2 ASP A 36 -7.381 -14.813 32.581 1.00 61.52 O ATOM 0 H ASP A 36 -4.199 -12.041 30.741 1.00 73.24 H new ATOM 0 HA ASP A 36 -3.298 -13.923 32.532 1.00 13.01 H new ATOM 0 HB2 ASP A 36 -5.269 -12.828 33.127 1.00 31.30 H new ATOM 0 HB3 ASP A 36 -5.991 -13.022 31.542 1.00 31.30 H new ATOM 603 N MET A 37 -4.744 -15.327 29.908 1.00 41.21 N ATOM 604 CA MET A 37 -4.870 -16.580 29.173 1.00 31.21 C ATOM 605 C MET A 37 -3.707 -16.761 28.203 1.00 60.10 C ATOM 606 O MET A 37 -2.882 -17.661 28.367 1.00 52.05 O ATOM 607 CB MET A 37 -6.196 -16.618 28.411 1.00 40.13 C ATOM 608 CG MET A 37 -6.292 -17.763 27.416 1.00 74.13 C ATOM 609 SD MET A 37 -7.980 -18.364 27.210 1.00 22.30 S ATOM 610 CE MET A 37 -8.519 -17.388 25.809 1.00 43.24 C ATOM 0 H MET A 37 -5.200 -14.530 29.464 1.00 41.21 H new ATOM 0 HA MET A 37 -4.850 -17.398 29.893 1.00 31.21 H new ATOM 0 HB2 MET A 37 -7.015 -16.699 29.126 1.00 40.13 H new ATOM 0 HB3 MET A 37 -6.328 -15.675 27.881 1.00 40.13 H new ATOM 0 HG2 MET A 37 -5.907 -17.434 26.451 1.00 74.13 H new ATOM 0 HG3 MET A 37 -5.656 -18.583 27.749 1.00 74.13 H new ATOM 0 HE1 MET A 37 -9.548 -17.646 25.560 1.00 43.24 H new ATOM 0 HE2 MET A 37 -8.461 -16.329 26.060 1.00 43.24 H new ATOM 0 HE3 MET A 37 -7.876 -17.594 24.953 1.00 43.24 H new ATOM 620 N THR A 38 -3.646 -15.900 27.191 1.00 32.45 N ATOM 621 CA THR A 38 -2.585 -15.966 26.194 1.00 33.44 C ATOM 622 C THR A 38 -1.221 -16.133 26.854 1.00 60.34 C ATOM 623 O THR A 38 -0.312 -16.735 26.279 1.00 10.45 O ATOM 624 CB THR A 38 -2.565 -14.705 25.311 1.00 12.42 C ATOM 625 OG1 THR A 38 -2.119 -13.579 26.075 1.00 3.23 O ATOM 626 CG2 THR A 38 -3.947 -14.421 24.741 1.00 63.11 C ATOM 0 H THR A 38 -4.319 -15.149 27.041 1.00 32.45 H new ATOM 0 HA THR A 38 -2.792 -16.834 25.569 1.00 33.44 H new ATOM 0 HB THR A 38 -1.877 -14.879 24.484 1.00 12.42 H new ATOM 0 HG1 THR A 38 -2.605 -13.548 26.925 1.00 3.23 H new ATOM 0 HG21 THR A 38 -3.908 -13.526 24.121 1.00 63.11 H new ATOM 0 HG22 THR A 38 -4.272 -15.267 24.136 1.00 63.11 H new ATOM 0 HG23 THR A 38 -4.653 -14.266 25.557 1.00 63.11 H new ATOM 634 N LEU A 39 -1.084 -15.599 28.062 1.00 44.42 N ATOM 635 CA LEU A 39 0.171 -15.689 28.800 1.00 21.24 C ATOM 636 C LEU A 39 -0.066 -16.207 30.215 1.00 30.34 C ATOM 637 O LEU A 39 -1.198 -16.504 30.597 1.00 71.12 O ATOM 638 CB LEU A 39 0.854 -14.322 28.854 1.00 43.43 C ATOM 639 CG LEU A 39 1.706 -13.949 27.640 1.00 60.04 C ATOM 640 CD1 LEU A 39 0.927 -13.043 26.699 1.00 71.44 C ATOM 641 CD2 LEU A 39 2.998 -13.278 28.081 1.00 44.43 C ATOM 0 H LEU A 39 -1.826 -15.099 28.552 1.00 44.42 H new ATOM 0 HA LEU A 39 0.820 -16.392 28.278 1.00 21.24 H new ATOM 0 HB2 LEU A 39 0.086 -13.559 28.982 1.00 43.43 H new ATOM 0 HB3 LEU A 39 1.487 -14.289 29.741 1.00 43.43 H new ATOM 0 HG LEU A 39 1.960 -14.863 27.104 1.00 60.04 H new ATOM 0 HD11 LEU A 39 1.549 -12.788 25.841 1.00 71.44 H new ATOM 0 HD12 LEU A 39 0.030 -13.559 26.356 1.00 71.44 H new ATOM 0 HD13 LEU A 39 0.642 -12.131 27.224 1.00 71.44 H new ATOM 0 HD21 LEU A 39 3.592 -13.020 27.204 1.00 44.43 H new ATOM 0 HD22 LEU A 39 2.765 -12.372 28.641 1.00 44.43 H new ATOM 0 HD23 LEU A 39 3.565 -13.961 28.714 1.00 44.43 H new ATOM 784 N GLY A 49 0.543 3.421 36.461 1.00 64.13 N ATOM 785 CA GLY A 49 1.881 3.983 36.443 1.00 64.33 C ATOM 786 C GLY A 49 2.847 3.154 35.618 1.00 11.45 C ATOM 787 O GLY A 49 3.943 3.609 35.294 1.00 41.14 O ATOM 0 HA2 GLY A 49 1.841 4.996 36.041 1.00 64.33 H new ATOM 0 HA3 GLY A 49 2.253 4.060 37.465 1.00 64.33 H new ATOM 791 N GLU A 50 2.439 1.935 35.281 1.00 25.21 N ATOM 792 CA GLU A 50 3.279 1.041 34.492 1.00 73.12 C ATOM 793 C GLU A 50 3.443 1.565 33.068 1.00 30.30 C ATOM 794 O GLU A 50 4.436 1.276 32.399 1.00 51.03 O ATOM 795 CB GLU A 50 2.678 -0.366 34.463 1.00 13.02 C ATOM 796 CG GLU A 50 3.712 -1.472 34.583 1.00 23.32 C ATOM 797 CD GLU A 50 3.085 -2.848 34.699 1.00 13.11 C ATOM 798 OE1 GLU A 50 2.334 -3.077 35.671 1.00 43.12 O ATOM 799 OE2 GLU A 50 3.344 -3.695 33.819 1.00 13.10 O ATOM 0 H GLU A 50 1.534 1.544 35.541 1.00 25.21 H new ATOM 0 HA GLU A 50 4.262 0.999 34.961 1.00 73.12 H new ATOM 0 HB2 GLU A 50 1.960 -0.462 35.277 1.00 13.02 H new ATOM 0 HB3 GLU A 50 2.125 -0.497 33.533 1.00 13.02 H new ATOM 0 HG2 GLU A 50 4.367 -1.448 33.712 1.00 23.32 H new ATOM 0 HG3 GLU A 50 4.337 -1.287 35.457 1.00 23.32 H new ATOM 806 N LEU A 51 2.462 2.336 32.611 1.00 65.30 N ATOM 807 CA LEU A 51 2.497 2.900 31.266 1.00 13.43 C ATOM 808 C LEU A 51 2.822 4.390 31.309 1.00 10.14 C ATOM 809 O LEU A 51 3.714 4.860 30.604 1.00 13.51 O ATOM 810 CB LEU A 51 1.155 2.680 30.565 1.00 64.31 C ATOM 811 CG LEU A 51 1.146 2.897 29.051 1.00 14.44 C ATOM 812 CD1 LEU A 51 0.047 2.071 28.400 1.00 3.24 C ATOM 813 CD2 LEU A 51 0.969 4.373 28.726 1.00 41.40 C ATOM 0 H LEU A 51 1.633 2.585 33.151 1.00 65.30 H new ATOM 0 HA LEU A 51 3.281 2.391 30.705 1.00 13.43 H new ATOM 0 HB2 LEU A 51 0.824 1.661 30.768 1.00 64.31 H new ATOM 0 HB3 LEU A 51 0.420 3.349 31.012 1.00 64.31 H new ATOM 0 HG LEU A 51 2.105 2.569 28.650 1.00 14.44 H new ATOM 0 HD11 LEU A 51 0.056 2.238 27.323 1.00 3.24 H new ATOM 0 HD12 LEU A 51 0.217 1.014 28.605 1.00 3.24 H new ATOM 0 HD13 LEU A 51 -0.920 2.368 28.805 1.00 3.24 H new ATOM 0 HD21 LEU A 51 0.965 4.509 27.645 1.00 41.40 H new ATOM 0 HD22 LEU A 51 0.024 4.726 29.140 1.00 41.40 H new ATOM 0 HD23 LEU A 51 1.791 4.942 29.160 1.00 41.40 H new ATOM 825 N GLU A 52 2.094 5.126 32.143 1.00 33.25 N ATOM 826 CA GLU A 52 2.307 6.562 32.279 1.00 74.10 C ATOM 827 C GLU A 52 3.598 6.851 33.038 1.00 4.21 C ATOM 828 O GLU A 52 4.468 7.573 32.552 1.00 23.15 O ATOM 829 CB GLU A 52 1.123 7.210 33.000 1.00 75.31 C ATOM 830 CG GLU A 52 1.246 8.718 33.139 1.00 75.24 C ATOM 831 CD GLU A 52 0.251 9.296 34.127 1.00 62.31 C ATOM 832 OE1 GLU A 52 -0.561 8.520 34.673 1.00 23.42 O ATOM 833 OE2 GLU A 52 0.284 10.523 34.354 1.00 44.13 O ATOM 0 H GLU A 52 1.352 4.752 32.734 1.00 33.25 H new ATOM 0 HA GLU A 52 2.391 6.987 31.279 1.00 74.10 H new ATOM 0 HB2 GLU A 52 0.207 6.977 32.458 1.00 75.31 H new ATOM 0 HB3 GLU A 52 1.027 6.769 33.992 1.00 75.31 H new ATOM 0 HG2 GLU A 52 2.257 8.968 33.459 1.00 75.24 H new ATOM 0 HG3 GLU A 52 1.096 9.182 32.164 1.00 75.24 H new ATOM 840 N GLY A 53 3.715 6.282 34.234 1.00 3.22 N ATOM 841 CA GLY A 53 4.903 6.491 35.042 1.00 33.01 C ATOM 842 C GLY A 53 6.156 5.952 34.381 1.00 52.20 C ATOM 843 O GLY A 53 7.113 6.693 34.150 1.00 33.14 O ATOM 0 H GLY A 53 3.009 5.680 34.658 1.00 3.22 H new ATOM 0 HA2 GLY A 53 5.026 7.557 35.232 1.00 33.01 H new ATOM 0 HA3 GLY A 53 4.770 6.008 36.010 1.00 33.01 H new ATOM 847 N LEU A 54 6.153 4.659 34.076 1.00 12.34 N ATOM 848 CA LEU A 54 7.299 4.021 33.439 1.00 62.31 C ATOM 849 C LEU A 54 7.339 4.337 31.947 1.00 1.34 C ATOM 850 O LEU A 54 6.609 5.205 31.467 1.00 33.33 O ATOM 851 CB LEU A 54 7.247 2.506 33.649 1.00 13.53 C ATOM 852 CG LEU A 54 6.851 2.037 35.050 1.00 72.35 C ATOM 853 CD1 LEU A 54 6.955 0.523 35.154 1.00 11.10 C ATOM 854 CD2 LEU A 54 7.721 2.707 36.103 1.00 71.02 C ATOM 0 H LEU A 54 5.370 4.032 34.260 1.00 12.34 H new ATOM 0 HA LEU A 54 8.205 4.415 33.900 1.00 62.31 H new ATOM 0 HB2 LEU A 54 6.542 2.084 32.933 1.00 13.53 H new ATOM 0 HB3 LEU A 54 8.227 2.092 33.412 1.00 13.53 H new ATOM 0 HG LEU A 54 5.815 2.323 35.229 1.00 72.35 H new ATOM 0 HD11 LEU A 54 6.670 0.207 36.157 1.00 11.10 H new ATOM 0 HD12 LEU A 54 6.289 0.062 34.425 1.00 11.10 H new ATOM 0 HD13 LEU A 54 7.981 0.214 34.954 1.00 11.10 H new ATOM 0 HD21 LEU A 54 7.425 2.361 37.093 1.00 71.02 H new ATOM 0 HD22 LEU A 54 8.766 2.452 35.927 1.00 71.02 H new ATOM 0 HD23 LEU A 54 7.596 3.788 36.044 1.00 71.02 H new ATOM 866 N ILE A 55 8.195 3.627 31.220 1.00 52.41 N ATOM 867 CA ILE A 55 8.327 3.831 29.783 1.00 71.34 C ATOM 868 C ILE A 55 8.026 2.547 29.016 1.00 42.31 C ATOM 869 O ILE A 55 8.075 1.444 29.560 1.00 65.13 O ATOM 870 CB ILE A 55 9.740 4.319 29.411 1.00 75.35 C ATOM 871 CG1 ILE A 55 10.798 3.412 30.041 1.00 65.33 C ATOM 872 CG2 ILE A 55 9.936 5.760 29.855 1.00 2.24 C ATOM 873 CD1 ILE A 55 12.204 3.962 29.938 1.00 72.33 C ATOM 0 H ILE A 55 8.807 2.906 31.602 1.00 52.41 H new ATOM 0 HA ILE A 55 7.602 4.596 29.505 1.00 71.34 H new ATOM 0 HB ILE A 55 9.851 4.276 28.327 1.00 75.35 H new ATOM 0 HG12 ILE A 55 10.553 3.257 31.092 1.00 65.33 H new ATOM 0 HG13 ILE A 55 10.762 2.436 29.558 1.00 65.33 H new ATOM 0 HG21 ILE A 55 10.939 6.091 29.585 1.00 2.24 H new ATOM 0 HG22 ILE A 55 9.200 6.396 29.363 1.00 2.24 H new ATOM 0 HG23 ILE A 55 9.810 5.828 30.936 1.00 2.24 H new ATOM 0 HD11 ILE A 55 12.902 3.267 30.405 1.00 72.33 H new ATOM 0 HD12 ILE A 55 12.468 4.091 28.888 1.00 72.33 H new ATOM 0 HD13 ILE A 55 12.256 4.925 30.446 1.00 72.33 H new ATOM 885 N PRO A 56 7.709 2.692 27.721 1.00 55.42 N ATOM 886 CA PRO A 56 7.396 1.555 26.850 1.00 11.23 C ATOM 887 C PRO A 56 8.621 0.697 26.555 1.00 45.44 C ATOM 888 O PRO A 56 8.545 -0.531 26.549 1.00 71.34 O ATOM 889 CB PRO A 56 6.886 2.219 25.569 1.00 42.23 C ATOM 890 CG PRO A 56 7.518 3.568 25.564 1.00 12.41 C ATOM 891 CD PRO A 56 7.631 3.978 27.007 1.00 74.24 C ATOM 0 HA PRO A 56 6.678 0.876 27.309 1.00 11.23 H new ATOM 0 HB2 PRO A 56 7.169 1.646 24.686 1.00 42.23 H new ATOM 0 HB3 PRO A 56 5.798 2.291 25.567 1.00 42.23 H new ATOM 0 HG2 PRO A 56 8.499 3.538 25.089 1.00 12.41 H new ATOM 0 HG3 PRO A 56 6.913 4.280 25.002 1.00 12.41 H new ATOM 0 HD2 PRO A 56 8.516 4.590 27.183 1.00 74.24 H new ATOM 0 HD3 PRO A 56 6.769 4.564 27.327 1.00 74.24 H new ATOM 899 N VAL A 57 9.752 1.353 26.310 1.00 31.30 N ATOM 900 CA VAL A 57 10.995 0.650 26.015 1.00 33.31 C ATOM 901 C VAL A 57 11.437 -0.204 27.198 1.00 4.44 C ATOM 902 O VAL A 57 12.230 -1.133 27.045 1.00 45.33 O ATOM 903 CB VAL A 57 12.124 1.633 25.654 1.00 11.15 C ATOM 904 CG1 VAL A 57 13.402 0.879 25.321 1.00 42.44 C ATOM 905 CG2 VAL A 57 11.703 2.525 24.496 1.00 2.23 C ATOM 0 H VAL A 57 9.832 2.370 26.310 1.00 31.30 H new ATOM 0 HA VAL A 57 10.799 0.005 25.159 1.00 33.31 H new ATOM 0 HB VAL A 57 12.320 2.268 26.518 1.00 11.15 H new ATOM 0 HG11 VAL A 57 14.189 1.590 25.068 1.00 42.44 H new ATOM 0 HG12 VAL A 57 13.711 0.288 26.183 1.00 42.44 H new ATOM 0 HG13 VAL A 57 13.224 0.218 24.473 1.00 42.44 H new ATOM 0 HG21 VAL A 57 12.513 3.213 24.254 1.00 2.23 H new ATOM 0 HG22 VAL A 57 11.478 1.909 23.625 1.00 2.23 H new ATOM 0 HG23 VAL A 57 10.816 3.093 24.778 1.00 2.23 H new ATOM 915 N ASP A 58 10.919 0.118 28.379 1.00 65.53 N ATOM 916 CA ASP A 58 11.260 -0.621 29.589 1.00 11.35 C ATOM 917 C ASP A 58 10.266 -1.752 29.834 1.00 61.14 C ATOM 918 O ASP A 58 10.644 -2.923 29.889 1.00 33.31 O ATOM 919 CB ASP A 58 11.287 0.320 30.795 1.00 21.12 C ATOM 920 CG ASP A 58 11.784 -0.365 32.053 1.00 33.50 C ATOM 921 OD1 ASP A 58 11.034 -1.191 32.615 1.00 73.43 O ATOM 922 OD2 ASP A 58 12.923 -0.077 32.475 1.00 13.43 O ATOM 0 H ASP A 58 10.262 0.885 28.524 1.00 65.53 H new ATOM 0 HA ASP A 58 12.250 -1.055 29.453 1.00 11.35 H new ATOM 0 HB2 ASP A 58 11.928 1.173 30.572 1.00 21.12 H new ATOM 0 HB3 ASP A 58 10.285 0.711 30.970 1.00 21.12 H new ATOM 927 N LEU A 59 8.995 -1.395 29.980 1.00 41.32 N ATOM 928 CA LEU A 59 7.946 -2.380 30.219 1.00 1.23 C ATOM 929 C LEU A 59 7.893 -3.404 29.090 1.00 21.35 C ATOM 930 O LEU A 59 7.597 -4.577 29.317 1.00 71.03 O ATOM 931 CB LEU A 59 6.590 -1.686 30.358 1.00 72.21 C ATOM 932 CG LEU A 59 5.536 -2.058 29.314 1.00 31.03 C ATOM 933 CD1 LEU A 59 4.146 -1.674 29.799 1.00 63.34 C ATOM 934 CD2 LEU A 59 5.843 -1.387 27.984 1.00 41.25 C ATOM 0 H LEU A 59 8.666 -0.431 29.937 1.00 41.32 H new ATOM 0 HA LEU A 59 8.177 -2.902 31.147 1.00 1.23 H new ATOM 0 HB2 LEU A 59 6.189 -1.911 31.346 1.00 72.21 H new ATOM 0 HB3 LEU A 59 6.750 -0.609 30.316 1.00 72.21 H new ATOM 0 HG LEU A 59 5.562 -3.138 29.168 1.00 31.03 H new ATOM 0 HD11 LEU A 59 3.409 -1.946 29.043 1.00 63.34 H new ATOM 0 HD12 LEU A 59 3.926 -2.201 30.727 1.00 63.34 H new ATOM 0 HD13 LEU A 59 4.106 -0.599 29.974 1.00 63.34 H new ATOM 0 HD21 LEU A 59 5.083 -1.663 27.253 1.00 41.25 H new ATOM 0 HD22 LEU A 59 5.845 -0.305 28.114 1.00 41.25 H new ATOM 0 HD23 LEU A 59 6.821 -1.712 27.630 1.00 41.25 H new ATOM 946 N ALA A 60 8.184 -2.953 27.875 1.00 63.12 N ATOM 947 CA ALA A 60 8.174 -3.831 26.711 1.00 21.14 C ATOM 948 C ALA A 60 9.218 -4.935 26.847 1.00 13.42 C ATOM 949 O ALA A 60 8.930 -6.106 26.605 1.00 32.22 O ATOM 950 CB ALA A 60 8.415 -3.028 25.442 1.00 53.22 C ATOM 0 H ALA A 60 8.430 -1.984 27.671 1.00 63.12 H new ATOM 0 HA ALA A 60 7.192 -4.301 26.650 1.00 21.14 H new ATOM 0 HB1 ALA A 60 8.405 -3.696 24.581 1.00 53.22 H new ATOM 0 HB2 ALA A 60 7.630 -2.280 25.330 1.00 53.22 H new ATOM 0 HB3 ALA A 60 9.383 -2.531 25.504 1.00 53.22 H new ATOM 956 N GLU A 61 10.430 -4.552 27.235 1.00 43.31 N ATOM 957 CA GLU A 61 11.517 -5.510 27.401 1.00 74.11 C ATOM 958 C GLU A 61 11.119 -6.620 28.369 1.00 24.44 C ATOM 959 O GLU A 61 11.552 -7.765 28.230 1.00 33.43 O ATOM 960 CB GLU A 61 12.777 -4.804 27.906 1.00 34.12 C ATOM 961 CG GLU A 61 13.745 -4.421 26.800 1.00 53.23 C ATOM 962 CD GLU A 61 15.113 -5.050 26.978 1.00 50.32 C ATOM 963 OE1 GLU A 61 15.831 -4.650 27.918 1.00 20.13 O ATOM 964 OE2 GLU A 61 15.466 -5.941 26.177 1.00 13.24 O ATOM 0 H GLU A 61 10.684 -3.586 27.440 1.00 43.31 H new ATOM 0 HA GLU A 61 11.726 -5.957 26.429 1.00 74.11 H new ATOM 0 HB2 GLU A 61 12.486 -3.905 28.450 1.00 34.12 H new ATOM 0 HB3 GLU A 61 13.288 -5.455 28.615 1.00 34.12 H new ATOM 0 HG2 GLU A 61 13.331 -4.726 25.839 1.00 53.23 H new ATOM 0 HG3 GLU A 61 13.849 -3.336 26.773 1.00 53.23 H new ATOM 971 N LEU A 62 10.294 -6.274 29.351 1.00 42.30 N ATOM 972 CA LEU A 62 9.838 -7.240 30.344 1.00 11.12 C ATOM 973 C LEU A 62 8.811 -8.194 29.744 1.00 73.33 C ATOM 974 O LEU A 62 8.883 -9.408 29.943 1.00 5.43 O ATOM 975 CB LEU A 62 9.235 -6.516 31.549 1.00 21.14 C ATOM 976 CG LEU A 62 8.437 -7.384 32.523 1.00 4.25 C ATOM 977 CD1 LEU A 62 8.795 -7.039 33.961 1.00 73.20 C ATOM 978 CD2 LEU A 62 6.944 -7.215 32.288 1.00 15.40 C ATOM 0 H LEU A 62 9.927 -5.331 29.481 1.00 42.30 H new ATOM 0 HA LEU A 62 10.700 -7.822 30.671 1.00 11.12 H new ATOM 0 HB2 LEU A 62 10.043 -6.035 32.100 1.00 21.14 H new ATOM 0 HB3 LEU A 62 8.583 -5.723 31.182 1.00 21.14 H new ATOM 0 HG LEU A 62 8.696 -8.428 32.346 1.00 4.25 H new ATOM 0 HD11 LEU A 62 8.218 -7.666 34.640 1.00 73.20 H new ATOM 0 HD12 LEU A 62 9.859 -7.212 34.123 1.00 73.20 H new ATOM 0 HD13 LEU A 62 8.565 -5.991 34.152 1.00 73.20 H new ATOM 0 HD21 LEU A 62 6.392 -7.840 32.990 1.00 15.40 H new ATOM 0 HD22 LEU A 62 6.668 -6.171 32.437 1.00 15.40 H new ATOM 0 HD23 LEU A 62 6.700 -7.513 31.268 1.00 15.40 H new ATOM 990 N LEU A 63 7.856 -7.639 29.006 1.00 34.20 N ATOM 991 CA LEU A 63 6.814 -8.441 28.374 1.00 71.14 C ATOM 992 C LEU A 63 7.417 -9.438 27.389 1.00 55.12 C ATOM 993 O LEU A 63 7.122 -10.632 27.441 1.00 34.30 O ATOM 994 CB LEU A 63 5.813 -7.536 27.653 1.00 62.13 C ATOM 995 CG LEU A 63 4.365 -8.025 27.626 1.00 54.05 C ATOM 996 CD1 LEU A 63 3.540 -7.197 26.653 1.00 51.25 C ATOM 997 CD2 LEU A 63 4.306 -9.500 27.256 1.00 44.02 C ATOM 0 H LEU A 63 7.782 -6.637 28.830 1.00 34.20 H new ATOM 0 HA LEU A 63 6.295 -8.998 29.154 1.00 71.14 H new ATOM 0 HB2 LEU A 63 5.835 -6.554 28.126 1.00 62.13 H new ATOM 0 HB3 LEU A 63 6.150 -7.402 26.625 1.00 62.13 H new ATOM 0 HG LEU A 63 3.943 -7.904 28.624 1.00 54.05 H new ATOM 0 HD11 LEU A 63 2.512 -7.560 26.647 1.00 51.25 H new ATOM 0 HD12 LEU A 63 3.554 -6.152 26.962 1.00 51.25 H new ATOM 0 HD13 LEU A 63 3.962 -7.285 25.652 1.00 51.25 H new ATOM 0 HD21 LEU A 63 3.267 -9.830 27.242 1.00 44.02 H new ATOM 0 HD22 LEU A 63 4.747 -9.646 26.270 1.00 44.02 H new ATOM 0 HD23 LEU A 63 4.862 -10.082 27.991 1.00 44.02 H new ATOM 1009 N ILE A 64 8.263 -8.940 26.494 1.00 10.41 N ATOM 1010 CA ILE A 64 8.910 -9.787 25.500 1.00 34.21 C ATOM 1011 C ILE A 64 9.690 -10.916 26.164 1.00 21.24 C ATOM 1012 O ILE A 64 9.810 -12.010 25.613 1.00 34.31 O ATOM 1013 CB ILE A 64 9.864 -8.976 24.604 1.00 62.30 C ATOM 1014 CG1 ILE A 64 11.013 -8.401 25.435 1.00 62.03 C ATOM 1015 CG2 ILE A 64 9.107 -7.863 23.895 1.00 64.45 C ATOM 1016 CD1 ILE A 64 12.060 -7.689 24.607 1.00 52.21 C ATOM 0 H ILE A 64 8.517 -7.954 26.437 1.00 10.41 H new ATOM 0 HA ILE A 64 8.118 -10.210 24.883 1.00 34.21 H new ATOM 0 HB ILE A 64 10.284 -9.641 23.849 1.00 62.30 H new ATOM 0 HG12 ILE A 64 10.607 -7.705 26.169 1.00 62.03 H new ATOM 0 HG13 ILE A 64 11.489 -9.209 25.991 1.00 62.03 H new ATOM 0 HG21 ILE A 64 9.795 -7.299 23.265 1.00 64.45 H new ATOM 0 HG22 ILE A 64 8.320 -8.295 23.276 1.00 64.45 H new ATOM 0 HG23 ILE A 64 8.663 -7.197 24.634 1.00 64.45 H new ATOM 0 HD11 ILE A 64 12.844 -7.307 25.261 1.00 52.21 H new ATOM 0 HD12 ILE A 64 12.494 -8.387 23.890 1.00 52.21 H new ATOM 0 HD13 ILE A 64 11.598 -6.859 24.072 1.00 52.21 H new ATOM 1028 N SER A 65 10.218 -10.643 27.353 1.00 24.42 N ATOM 1029 CA SER A 65 10.990 -11.636 28.093 1.00 54.41 C ATOM 1030 C SER A 65 10.068 -12.644 28.771 1.00 31.45 C ATOM 1031 O SER A 65 10.435 -13.802 28.972 1.00 60.54 O ATOM 1032 CB SER A 65 11.872 -10.951 29.138 1.00 3.21 C ATOM 1033 OG SER A 65 12.146 -11.820 30.223 1.00 32.13 O ATOM 0 H SER A 65 10.126 -9.743 27.825 1.00 24.42 H new ATOM 0 HA SER A 65 11.625 -12.169 27.385 1.00 54.41 H new ATOM 0 HB2 SER A 65 12.807 -10.634 28.677 1.00 3.21 H new ATOM 0 HB3 SER A 65 11.376 -10.052 29.504 1.00 3.21 H new ATOM 0 HG SER A 65 12.713 -11.359 30.876 1.00 32.13 H new ATOM 1039 N LYS A 66 8.868 -12.196 29.124 1.00 73.13 N ATOM 1040 CA LYS A 66 7.891 -13.058 29.779 1.00 54.51 C ATOM 1041 C LYS A 66 7.694 -14.351 28.995 1.00 34.10 C ATOM 1042 O LYS A 66 8.005 -15.438 29.483 1.00 14.34 O ATOM 1043 CB LYS A 66 6.553 -12.328 29.924 1.00 2.02 C ATOM 1044 CG LYS A 66 5.400 -13.242 30.300 1.00 13.32 C ATOM 1045 CD LYS A 66 5.628 -13.901 31.650 1.00 15.21 C ATOM 1046 CE LYS A 66 5.496 -15.414 31.561 1.00 13.52 C ATOM 1047 NZ LYS A 66 5.843 -16.077 32.848 1.00 24.21 N ATOM 0 H LYS A 66 8.548 -11.240 28.967 1.00 73.13 H new ATOM 0 HA LYS A 66 8.271 -13.309 30.769 1.00 54.51 H new ATOM 0 HB2 LYS A 66 6.653 -11.552 30.682 1.00 2.02 H new ATOM 0 HB3 LYS A 66 6.318 -11.828 28.985 1.00 2.02 H new ATOM 0 HG2 LYS A 66 4.473 -12.668 30.326 1.00 13.32 H new ATOM 0 HG3 LYS A 66 5.279 -14.009 29.535 1.00 13.32 H new ATOM 0 HD2 LYS A 66 6.620 -13.642 32.019 1.00 15.21 H new ATOM 0 HD3 LYS A 66 4.908 -13.514 32.371 1.00 15.21 H new ATOM 0 HE2 LYS A 66 4.475 -15.674 31.282 1.00 13.52 H new ATOM 0 HE3 LYS A 66 6.147 -15.790 30.772 1.00 13.52 H new ATOM 0 HZ1 LYS A 66 5.741 -17.107 32.747 1.00 24.21 H new ATOM 0 HZ2 LYS A 66 6.826 -15.850 33.102 1.00 24.21 H new ATOM 0 HZ3 LYS A 66 5.205 -15.738 33.596 1.00 24.21 H new ATOM 1061 N TYR A 67 7.177 -14.227 27.778 1.00 52.23 N ATOM 1062 CA TYR A 67 6.938 -15.386 26.927 1.00 73.42 C ATOM 1063 C TYR A 67 7.689 -15.257 25.605 1.00 11.43 C ATOM 1064 O TYR A 67 8.240 -16.230 25.093 1.00 51.10 O ATOM 1065 CB TYR A 67 5.440 -15.550 26.661 1.00 23.21 C ATOM 1066 CG TYR A 67 4.925 -16.944 26.939 1.00 31.23 C ATOM 1067 CD1 TYR A 67 4.465 -17.297 28.202 1.00 64.41 C ATOM 1068 CD2 TYR A 67 4.897 -17.908 25.939 1.00 53.04 C ATOM 1069 CE1 TYR A 67 3.994 -18.570 28.460 1.00 25.15 C ATOM 1070 CE2 TYR A 67 4.426 -19.183 26.188 1.00 40.33 C ATOM 1071 CZ TYR A 67 3.977 -19.509 27.450 1.00 34.02 C ATOM 1072 OH TYR A 67 3.507 -20.777 27.703 1.00 31.44 O ATOM 0 H TYR A 67 6.915 -13.335 27.358 1.00 52.23 H new ATOM 0 HA TYR A 67 7.307 -16.269 27.449 1.00 73.42 H new ATOM 0 HB2 TYR A 67 4.890 -14.839 27.277 1.00 23.21 H new ATOM 0 HB3 TYR A 67 5.234 -15.296 25.621 1.00 23.21 H new ATOM 0 HD1 TYR A 67 4.476 -16.564 28.995 1.00 64.41 H new ATOM 0 HD2 TYR A 67 5.250 -17.656 24.950 1.00 53.04 H new ATOM 0 HE1 TYR A 67 3.641 -18.828 29.447 1.00 25.15 H new ATOM 0 HE2 TYR A 67 4.410 -19.920 25.399 1.00 40.33 H new ATOM 0 HH TYR A 67 3.562 -21.315 26.886 1.00 31.44 H new ATOM 1082 N GLY A 68 7.706 -14.045 25.058 1.00 4.35 N ATOM 1083 CA GLY A 68 8.393 -13.808 23.802 1.00 54.32 C ATOM 1084 C GLY A 68 7.960 -12.514 23.140 1.00 70.40 C ATOM 1085 O GLY A 68 6.795 -12.127 23.223 1.00 21.23 O ATOM 0 H GLY A 68 7.256 -13.224 25.462 1.00 4.35 H new ATOM 0 HA2 GLY A 68 9.468 -13.780 23.979 1.00 54.32 H new ATOM 0 HA3 GLY A 68 8.203 -14.641 23.125 1.00 54.32 H new ATOM 1089 N GLU A 69 8.901 -11.844 22.482 1.00 21.41 N ATOM 1090 CA GLU A 69 8.610 -10.586 21.806 1.00 42.31 C ATOM 1091 C GLU A 69 7.537 -10.777 20.738 1.00 63.12 C ATOM 1092 O GLU A 69 6.824 -9.839 20.383 1.00 52.35 O ATOM 1093 CB GLU A 69 9.881 -10.016 21.172 1.00 60.44 C ATOM 1094 CG GLU A 69 10.674 -11.039 20.375 1.00 4.32 C ATOM 1095 CD GLU A 69 11.803 -10.411 19.580 1.00 12.13 C ATOM 1096 OE1 GLU A 69 12.762 -9.912 20.206 1.00 61.14 O ATOM 1097 OE2 GLU A 69 11.727 -10.418 18.334 1.00 11.10 O ATOM 0 H GLU A 69 9.870 -12.151 22.403 1.00 21.41 H new ATOM 0 HA GLU A 69 8.236 -9.882 22.549 1.00 42.31 H new ATOM 0 HB2 GLU A 69 9.611 -9.188 20.517 1.00 60.44 H new ATOM 0 HB3 GLU A 69 10.517 -9.607 21.957 1.00 60.44 H new ATOM 0 HG2 GLU A 69 11.085 -11.785 21.055 1.00 4.32 H new ATOM 0 HG3 GLU A 69 10.003 -11.563 19.694 1.00 4.32 H new ATOM 1104 N LYS A 70 7.429 -12.000 20.229 1.00 44.44 N ATOM 1105 CA LYS A 70 6.444 -12.317 19.202 1.00 62.04 C ATOM 1106 C LYS A 70 5.026 -12.128 19.731 1.00 42.52 C ATOM 1107 O LYS A 70 4.395 -11.100 19.485 1.00 21.20 O ATOM 1108 CB LYS A 70 6.630 -13.756 18.715 1.00 42.13 C ATOM 1109 CG LYS A 70 7.923 -13.976 17.948 1.00 30.44 C ATOM 1110 CD LYS A 70 8.040 -13.027 16.768 1.00 62.23 C ATOM 1111 CE LYS A 70 9.088 -11.953 17.018 1.00 72.33 C ATOM 1112 NZ LYS A 70 10.472 -12.483 16.870 1.00 34.44 N ATOM 0 H LYS A 70 8.012 -12.788 20.511 1.00 44.44 H new ATOM 0 HA LYS A 70 6.595 -11.634 18.366 1.00 62.04 H new ATOM 0 HB2 LYS A 70 6.608 -14.427 19.574 1.00 42.13 H new ATOM 0 HB3 LYS A 70 5.788 -14.027 18.077 1.00 42.13 H new ATOM 0 HG2 LYS A 70 8.772 -13.833 18.616 1.00 30.44 H new ATOM 0 HG3 LYS A 70 7.966 -15.006 17.593 1.00 30.44 H new ATOM 0 HD2 LYS A 70 8.301 -13.590 15.872 1.00 62.23 H new ATOM 0 HD3 LYS A 70 7.074 -12.558 16.580 1.00 62.23 H new ATOM 0 HE2 LYS A 70 8.938 -11.130 16.320 1.00 72.33 H new ATOM 0 HE3 LYS A 70 8.960 -11.547 18.022 1.00 72.33 H new ATOM 0 HZ1 LYS A 70 11.139 -11.854 17.361 1.00 34.44 H new ATOM 0 HZ2 LYS A 70 10.525 -13.435 17.284 1.00 34.44 H new ATOM 0 HZ3 LYS A 70 10.720 -12.530 15.861 1.00 34.44 H new ATOM 1126 N GLU A 71 4.533 -13.124 20.459 1.00 31.31 N ATOM 1127 CA GLU A 71 3.190 -13.065 21.023 1.00 75.30 C ATOM 1128 C GLU A 71 2.970 -11.752 21.769 1.00 32.52 C ATOM 1129 O GLU A 71 1.842 -11.276 21.889 1.00 53.53 O ATOM 1130 CB GLU A 71 2.956 -14.247 21.967 1.00 5.53 C ATOM 1131 CG GLU A 71 1.519 -14.370 22.444 1.00 21.13 C ATOM 1132 CD GLU A 71 0.773 -15.500 21.762 1.00 60.03 C ATOM 1133 OE1 GLU A 71 1.099 -15.806 20.595 1.00 14.43 O ATOM 1134 OE2 GLU A 71 -0.136 -16.078 22.393 1.00 21.31 O ATOM 0 H GLU A 71 5.043 -13.981 20.672 1.00 31.31 H new ATOM 0 HA GLU A 71 2.476 -13.120 20.201 1.00 75.30 H new ATOM 0 HB2 GLU A 71 3.242 -15.168 21.459 1.00 5.53 H new ATOM 0 HB3 GLU A 71 3.610 -14.144 22.833 1.00 5.53 H new ATOM 0 HG2 GLU A 71 1.510 -14.532 23.522 1.00 21.13 H new ATOM 0 HG3 GLU A 71 0.997 -13.431 22.259 1.00 21.13 H new ATOM 1141 N ALA A 72 4.057 -11.174 22.270 1.00 73.23 N ATOM 1142 CA ALA A 72 3.984 -9.916 23.003 1.00 71.42 C ATOM 1143 C ALA A 72 3.170 -8.880 22.236 1.00 73.23 C ATOM 1144 O ALA A 72 2.121 -8.433 22.700 1.00 51.54 O ATOM 1145 CB ALA A 72 5.383 -9.388 23.285 1.00 73.23 C ATOM 0 H ALA A 72 4.998 -11.557 22.182 1.00 73.23 H new ATOM 0 HA ALA A 72 3.481 -10.105 23.951 1.00 71.42 H new ATOM 0 HB1 ALA A 72 5.314 -8.448 23.833 1.00 73.23 H new ATOM 0 HB2 ALA A 72 5.933 -10.116 23.881 1.00 73.23 H new ATOM 0 HB3 ALA A 72 5.906 -9.221 22.343 1.00 73.23 H new ATOM 1151 N VAL A 73 3.660 -8.502 21.059 1.00 13.23 N ATOM 1152 CA VAL A 73 2.977 -7.518 20.227 1.00 30.15 C ATOM 1153 C VAL A 73 1.563 -7.975 19.885 1.00 43.53 C ATOM 1154 O VAL A 73 0.636 -7.167 19.821 1.00 43.25 O ATOM 1155 CB VAL A 73 3.750 -7.254 18.922 1.00 41.22 C ATOM 1156 CG1 VAL A 73 2.846 -6.600 17.889 1.00 54.35 C ATOM 1157 CG2 VAL A 73 4.974 -6.392 19.193 1.00 60.00 C ATOM 0 H VAL A 73 4.527 -8.862 20.660 1.00 13.23 H new ATOM 0 HA VAL A 73 2.927 -6.594 20.804 1.00 30.15 H new ATOM 0 HB VAL A 73 4.088 -8.209 18.521 1.00 41.22 H new ATOM 0 HG11 VAL A 73 3.410 -6.421 16.973 1.00 54.35 H new ATOM 0 HG12 VAL A 73 2.004 -7.258 17.674 1.00 54.35 H new ATOM 0 HG13 VAL A 73 2.475 -5.652 18.278 1.00 54.35 H new ATOM 0 HG21 VAL A 73 5.509 -6.215 18.260 1.00 60.00 H new ATOM 0 HG22 VAL A 73 4.661 -5.438 19.618 1.00 60.00 H new ATOM 0 HG23 VAL A 73 5.631 -6.904 19.896 1.00 60.00 H new ATOM 1167 N LYS A 74 1.404 -9.275 19.665 1.00 24.33 N ATOM 1168 CA LYS A 74 0.103 -9.842 19.331 1.00 44.15 C ATOM 1169 C LYS A 74 -0.878 -9.670 20.485 1.00 32.54 C ATOM 1170 O LYS A 74 -2.043 -9.329 20.278 1.00 23.11 O ATOM 1171 CB LYS A 74 0.244 -11.326 18.983 1.00 4.31 C ATOM 1172 CG LYS A 74 1.245 -11.598 17.873 1.00 31.02 C ATOM 1173 CD LYS A 74 1.576 -13.078 17.771 1.00 14.43 C ATOM 1174 CE LYS A 74 3.072 -13.305 17.627 1.00 65.43 C ATOM 1175 NZ LYS A 74 3.410 -13.978 16.342 1.00 75.24 N ATOM 0 H LYS A 74 2.161 -9.957 19.712 1.00 24.33 H new ATOM 0 HA LYS A 74 -0.286 -9.308 18.464 1.00 44.15 H new ATOM 0 HB2 LYS A 74 0.547 -11.873 19.876 1.00 4.31 H new ATOM 0 HB3 LYS A 74 -0.730 -11.715 18.686 1.00 4.31 H new ATOM 0 HG2 LYS A 74 0.840 -11.248 16.923 1.00 31.02 H new ATOM 0 HG3 LYS A 74 2.158 -11.032 18.058 1.00 31.02 H new ATOM 0 HD2 LYS A 74 1.212 -13.595 18.659 1.00 14.43 H new ATOM 0 HD3 LYS A 74 1.057 -13.510 16.915 1.00 14.43 H new ATOM 0 HE2 LYS A 74 3.592 -12.348 17.684 1.00 65.43 H new ATOM 0 HE3 LYS A 74 3.429 -13.911 18.459 1.00 65.43 H new ATOM 0 HZ1 LYS A 74 4.439 -14.115 16.282 1.00 75.24 H new ATOM 0 HZ2 LYS A 74 2.935 -14.902 16.299 1.00 75.24 H new ATOM 0 HZ3 LYS A 74 3.092 -13.388 15.547 1.00 75.24 H new ATOM 1189 N VAL A 75 -0.400 -9.908 21.703 1.00 72.22 N ATOM 1190 CA VAL A 75 -1.235 -9.777 22.891 1.00 60.50 C ATOM 1191 C VAL A 75 -1.772 -8.357 23.032 1.00 24.50 C ATOM 1192 O VAL A 75 -2.792 -8.129 23.683 1.00 64.45 O ATOM 1193 CB VAL A 75 -0.457 -10.150 24.167 1.00 11.32 C ATOM 1194 CG1 VAL A 75 0.165 -8.911 24.794 1.00 34.22 C ATOM 1195 CG2 VAL A 75 -1.368 -10.859 25.158 1.00 41.11 C ATOM 0 H VAL A 75 0.561 -10.192 21.892 1.00 72.22 H new ATOM 0 HA VAL A 75 -2.070 -10.467 22.769 1.00 60.50 H new ATOM 0 HB VAL A 75 0.347 -10.833 23.895 1.00 11.32 H new ATOM 0 HG11 VAL A 75 0.711 -9.194 25.694 1.00 34.22 H new ATOM 0 HG12 VAL A 75 0.851 -8.449 24.084 1.00 34.22 H new ATOM 0 HG13 VAL A 75 -0.620 -8.201 25.054 1.00 34.22 H new ATOM 0 HG21 VAL A 75 -0.802 -11.115 26.054 1.00 41.11 H new ATOM 0 HG22 VAL A 75 -2.195 -10.202 25.427 1.00 41.11 H new ATOM 0 HG23 VAL A 75 -1.761 -11.769 24.704 1.00 41.11 H new ATOM 1205 N VAL A 76 -1.078 -7.405 22.417 1.00 3.34 N ATOM 1206 CA VAL A 76 -1.485 -6.006 22.473 1.00 40.23 C ATOM 1207 C VAL A 76 -2.596 -5.717 21.469 1.00 4.31 C ATOM 1208 O VAL A 76 -3.642 -5.173 21.824 1.00 51.40 O ATOM 1209 CB VAL A 76 -0.298 -5.064 22.194 1.00 73.31 C ATOM 1210 CG1 VAL A 76 -0.780 -3.775 21.547 1.00 12.55 C ATOM 1211 CG2 VAL A 76 0.464 -4.774 23.478 1.00 62.31 C ATOM 0 H VAL A 76 -0.232 -7.577 21.874 1.00 3.34 H new ATOM 0 HA VAL A 76 -1.854 -5.824 23.482 1.00 40.23 H new ATOM 0 HB VAL A 76 0.381 -5.558 21.499 1.00 73.31 H new ATOM 0 HG11 VAL A 76 0.072 -3.122 21.357 1.00 12.55 H new ATOM 0 HG12 VAL A 76 -1.278 -4.005 20.605 1.00 12.55 H new ATOM 0 HG13 VAL A 76 -1.480 -3.273 22.214 1.00 12.55 H new ATOM 0 HG21 VAL A 76 1.299 -4.107 23.263 1.00 62.31 H new ATOM 0 HG22 VAL A 76 -0.203 -4.300 24.198 1.00 62.31 H new ATOM 0 HG23 VAL A 76 0.843 -5.707 23.895 1.00 62.31 H new ATOM 1221 N LEU A 77 -2.362 -6.085 20.214 1.00 3.42 N ATOM 1222 CA LEU A 77 -3.343 -5.866 19.157 1.00 0.52 C ATOM 1223 C LEU A 77 -4.578 -6.735 19.372 1.00 63.13 C ATOM 1224 O LEU A 77 -5.705 -6.241 19.376 1.00 34.02 O ATOM 1225 CB LEU A 77 -2.725 -6.166 17.790 1.00 10.44 C ATOM 1226 CG LEU A 77 -1.983 -7.497 17.667 1.00 2.21 C ATOM 1227 CD1 LEU A 77 -2.887 -8.558 17.060 1.00 33.12 C ATOM 1228 CD2 LEU A 77 -0.721 -7.329 16.833 1.00 0.43 C ATOM 0 H LEU A 77 -1.502 -6.536 19.904 1.00 3.42 H new ATOM 0 HA LEU A 77 -3.648 -4.820 19.189 1.00 0.52 H new ATOM 0 HB2 LEU A 77 -3.518 -6.144 17.042 1.00 10.44 H new ATOM 0 HB3 LEU A 77 -2.032 -5.362 17.543 1.00 10.44 H new ATOM 0 HG LEU A 77 -1.694 -7.823 18.666 1.00 2.21 H new ATOM 0 HD11 LEU A 77 -2.342 -9.498 16.980 1.00 33.12 H new ATOM 0 HD12 LEU A 77 -3.761 -8.698 17.696 1.00 33.12 H new ATOM 0 HD13 LEU A 77 -3.207 -8.239 16.068 1.00 33.12 H new ATOM 0 HD21 LEU A 77 -0.206 -8.286 16.756 1.00 0.43 H new ATOM 0 HD22 LEU A 77 -0.988 -6.979 15.836 1.00 0.43 H new ATOM 0 HD23 LEU A 77 -0.064 -6.601 17.309 1.00 0.43 H new ATOM 1240 N LYS A 78 -4.357 -8.033 19.552 1.00 41.15 N ATOM 1241 CA LYS A 78 -5.450 -8.972 19.771 1.00 73.34 C ATOM 1242 C LYS A 78 -6.412 -8.450 20.834 1.00 65.24 C ATOM 1243 O LYS A 78 -7.625 -8.434 20.633 1.00 51.54 O ATOM 1244 CB LYS A 78 -4.901 -10.337 20.191 1.00 62.30 C ATOM 1245 CG LYS A 78 -5.734 -11.507 19.697 1.00 71.04 C ATOM 1246 CD LYS A 78 -7.200 -11.340 20.059 1.00 53.42 C ATOM 1247 CE LYS A 78 -7.411 -11.381 21.565 1.00 44.53 C ATOM 1248 NZ LYS A 78 -7.693 -12.761 22.048 1.00 4.51 N ATOM 0 H LYS A 78 -3.430 -8.458 19.550 1.00 41.15 H new ATOM 0 HA LYS A 78 -5.996 -9.080 18.834 1.00 73.34 H new ATOM 0 HB2 LYS A 78 -3.884 -10.442 19.814 1.00 62.30 H new ATOM 0 HB3 LYS A 78 -4.843 -10.377 21.279 1.00 62.30 H new ATOM 0 HG2 LYS A 78 -5.633 -11.595 18.615 1.00 71.04 H new ATOM 0 HG3 LYS A 78 -5.355 -12.433 20.129 1.00 71.04 H new ATOM 0 HD2 LYS A 78 -7.567 -10.393 19.665 1.00 53.42 H new ATOM 0 HD3 LYS A 78 -7.785 -12.130 19.587 1.00 53.42 H new ATOM 0 HE2 LYS A 78 -6.524 -10.995 22.067 1.00 44.53 H new ATOM 0 HE3 LYS A 78 -8.240 -10.726 21.834 1.00 44.53 H new ATOM 0 HZ1 LYS A 78 -7.831 -12.747 23.079 1.00 4.51 H new ATOM 0 HZ2 LYS A 78 -8.554 -13.120 21.589 1.00 4.51 H new ATOM 0 HZ3 LYS A 78 -6.891 -13.381 21.814 1.00 4.51 H new ATOM 1262 N GLY A 79 -5.860 -8.023 21.966 1.00 41.15 N ATOM 1263 CA GLY A 79 -6.683 -7.505 23.043 1.00 51.35 C ATOM 1264 C GLY A 79 -7.158 -6.089 22.780 1.00 71.43 C ATOM 1265 O GLY A 79 -8.153 -5.644 23.353 1.00 11.21 O ATOM 0 H GLY A 79 -4.858 -8.027 22.156 1.00 41.15 H new ATOM 0 HA2 GLY A 79 -7.547 -8.155 23.181 1.00 51.35 H new ATOM 0 HA3 GLY A 79 -6.115 -7.528 23.973 1.00 51.35 H new ATOM 1269 N LEU A 80 -6.445 -5.379 21.912 1.00 33.52 N ATOM 1270 CA LEU A 80 -6.799 -4.005 21.575 1.00 5.35 C ATOM 1271 C LEU A 80 -8.025 -3.964 20.670 1.00 15.22 C ATOM 1272 O LEU A 80 -8.800 -3.007 20.699 1.00 73.42 O ATOM 1273 CB LEU A 80 -5.622 -3.308 20.890 1.00 24.12 C ATOM 1274 CG LEU A 80 -4.695 -2.502 21.802 1.00 75.23 C ATOM 1275 CD1 LEU A 80 -3.628 -1.791 20.984 1.00 33.21 C ATOM 1276 CD2 LEU A 80 -5.495 -1.502 22.624 1.00 42.21 C ATOM 0 H LEU A 80 -5.619 -5.732 21.429 1.00 33.52 H new ATOM 0 HA LEU A 80 -7.036 -3.480 22.500 1.00 5.35 H new ATOM 0 HB2 LEU A 80 -5.027 -4.064 20.377 1.00 24.12 H new ATOM 0 HB3 LEU A 80 -6.017 -2.640 20.125 1.00 24.12 H new ATOM 0 HG LEU A 80 -4.199 -3.191 22.486 1.00 75.23 H new ATOM 0 HD11 LEU A 80 -2.978 -1.223 21.649 1.00 33.21 H new ATOM 0 HD12 LEU A 80 -3.036 -2.527 20.440 1.00 33.21 H new ATOM 0 HD13 LEU A 80 -4.104 -1.113 20.276 1.00 33.21 H new ATOM 0 HD21 LEU A 80 -4.820 -0.937 23.267 1.00 42.21 H new ATOM 0 HD22 LEU A 80 -6.018 -0.817 21.956 1.00 42.21 H new ATOM 0 HD23 LEU A 80 -6.221 -2.034 23.238 1.00 42.21 H new ATOM 1288 N LYS A 81 -8.198 -5.009 19.868 1.00 23.13 N ATOM 1289 CA LYS A 81 -9.332 -5.096 18.956 1.00 12.15 C ATOM 1290 C LYS A 81 -10.644 -4.857 19.696 1.00 35.45 C ATOM 1291 O LYS A 81 -11.413 -3.963 19.345 1.00 54.43 O ATOM 1292 CB LYS A 81 -9.361 -6.465 18.274 1.00 22.30 C ATOM 1293 CG LYS A 81 -8.645 -6.493 16.935 1.00 41.43 C ATOM 1294 CD LYS A 81 -9.583 -6.895 15.809 1.00 10.30 C ATOM 1295 CE LYS A 81 -10.347 -5.697 15.265 1.00 1.05 C ATOM 1296 NZ LYS A 81 -11.816 -5.941 15.239 1.00 64.40 N ATOM 0 H LYS A 81 -7.566 -5.809 19.831 1.00 23.13 H new ATOM 0 HA LYS A 81 -9.216 -4.322 18.197 1.00 12.15 H new ATOM 0 HB2 LYS A 81 -8.905 -7.201 18.936 1.00 22.30 H new ATOM 0 HB3 LYS A 81 -10.398 -6.767 18.128 1.00 22.30 H new ATOM 0 HG2 LYS A 81 -8.224 -5.509 16.726 1.00 41.43 H new ATOM 0 HG3 LYS A 81 -7.811 -7.193 16.982 1.00 41.43 H new ATOM 0 HD2 LYS A 81 -9.011 -7.358 15.005 1.00 10.30 H new ATOM 0 HD3 LYS A 81 -10.288 -7.644 16.171 1.00 10.30 H new ATOM 0 HE2 LYS A 81 -10.135 -4.822 15.879 1.00 1.05 H new ATOM 0 HE3 LYS A 81 -9.998 -5.471 14.257 1.00 1.05 H new ATOM 0 HZ1 LYS A 81 -12.301 -5.102 14.862 1.00 64.40 H new ATOM 0 HZ2 LYS A 81 -12.021 -6.761 14.633 1.00 64.40 H new ATOM 0 HZ3 LYS A 81 -12.153 -6.131 16.204 1.00 64.40 H new ATOM 1310 N VAL A 82 -10.894 -5.663 20.724 1.00 10.32 N ATOM 1311 CA VAL A 82 -12.112 -5.537 21.516 1.00 71.35 C ATOM 1312 C VAL A 82 -12.210 -4.159 22.160 1.00 45.03 C ATOM 1313 O VAL A 82 -13.206 -3.833 22.803 1.00 15.41 O ATOM 1314 CB VAL A 82 -12.179 -6.612 22.616 1.00 34.35 C ATOM 1315 CG1 VAL A 82 -13.594 -6.730 23.162 1.00 33.32 C ATOM 1316 CG2 VAL A 82 -11.691 -7.951 22.084 1.00 72.11 C ATOM 0 H VAL A 82 -10.269 -6.410 21.027 1.00 10.32 H new ATOM 0 HA VAL A 82 -12.950 -5.674 20.832 1.00 71.35 H new ATOM 0 HB VAL A 82 -11.523 -6.311 23.433 1.00 34.35 H new ATOM 0 HG11 VAL A 82 -13.622 -7.495 23.938 1.00 33.32 H new ATOM 0 HG12 VAL A 82 -13.902 -5.773 23.584 1.00 33.32 H new ATOM 0 HG13 VAL A 82 -14.273 -7.007 22.356 1.00 33.32 H new ATOM 0 HG21 VAL A 82 -11.745 -8.699 22.875 1.00 72.11 H new ATOM 0 HG22 VAL A 82 -12.318 -8.261 21.248 1.00 72.11 H new ATOM 0 HG23 VAL A 82 -10.659 -7.854 21.747 1.00 72.11 H new ATOM 1326 N MET A 83 -11.167 -3.354 21.982 1.00 55.35 N ATOM 1327 CA MET A 83 -11.137 -2.009 22.544 1.00 5.34 C ATOM 1328 C MET A 83 -11.306 -0.958 21.452 1.00 70.04 C ATOM 1329 O MET A 83 -11.360 0.239 21.732 1.00 71.34 O ATOM 1330 CB MET A 83 -9.823 -1.776 23.293 1.00 45.15 C ATOM 1331 CG MET A 83 -9.878 -0.614 24.271 1.00 31.45 C ATOM 1332 SD MET A 83 -10.568 -1.085 25.870 1.00 63.35 S ATOM 1333 CE MET A 83 -9.125 -1.783 26.669 1.00 45.41 C ATOM 0 H MET A 83 -10.333 -3.610 21.454 1.00 55.35 H new ATOM 0 HA MET A 83 -11.968 -1.916 23.243 1.00 5.34 H new ATOM 0 HB2 MET A 83 -9.557 -2.684 23.835 1.00 45.15 H new ATOM 0 HB3 MET A 83 -9.029 -1.593 22.569 1.00 45.15 H new ATOM 0 HG2 MET A 83 -8.873 -0.218 24.416 1.00 31.45 H new ATOM 0 HG3 MET A 83 -10.478 0.189 23.843 1.00 31.45 H new ATOM 0 HE1 MET A 83 -9.058 -1.409 27.691 1.00 45.41 H new ATOM 0 HE2 MET A 83 -9.208 -2.870 26.685 1.00 45.41 H new ATOM 0 HE3 MET A 83 -8.229 -1.496 26.118 1.00 45.41 H new ATOM 1343 N ASN A 84 -11.389 -1.414 20.206 1.00 62.20 N ATOM 1344 CA ASN A 84 -11.551 -0.513 19.071 1.00 12.31 C ATOM 1345 C ASN A 84 -10.344 0.409 18.932 1.00 43.34 C ATOM 1346 O ASN A 84 -10.486 1.596 18.635 1.00 0.44 O ATOM 1347 CB ASN A 84 -12.826 0.319 19.232 1.00 63.53 C ATOM 1348 CG ASN A 84 -14.082 -0.525 19.135 1.00 32.25 C ATOM 1349 OD1 ASN A 84 -14.744 -0.790 20.139 1.00 11.42 O ATOM 1350 ND2 ASN A 84 -14.416 -0.952 17.923 1.00 33.53 N ATOM 0 H ASN A 84 -11.347 -2.402 19.957 1.00 62.20 H new ATOM 0 HA ASN A 84 -11.630 -1.117 18.167 1.00 12.31 H new ATOM 0 HB2 ASN A 84 -12.806 0.827 20.196 1.00 63.53 H new ATOM 0 HB3 ASN A 84 -12.851 1.093 18.465 1.00 63.53 H new ATOM 0 HD21 ASN A 84 -15.251 -1.524 17.796 1.00 33.53 H new ATOM 0 HD22 ASN A 84 -13.838 -0.708 17.119 1.00 33.53 H new ATOM 1357 N LEU A 85 -9.156 -0.145 19.146 1.00 4.32 N ATOM 1358 CA LEU A 85 -7.922 0.627 19.044 1.00 42.01 C ATOM 1359 C LEU A 85 -7.296 0.472 17.662 1.00 41.44 C ATOM 1360 O LEU A 85 -6.078 0.573 17.505 1.00 53.13 O ATOM 1361 CB LEU A 85 -6.928 0.182 20.119 1.00 53.52 C ATOM 1362 CG LEU A 85 -6.792 1.106 21.330 1.00 42.13 C ATOM 1363 CD1 LEU A 85 -6.831 2.563 20.897 1.00 43.44 C ATOM 1364 CD2 LEU A 85 -7.889 0.820 22.345 1.00 4.00 C ATOM 0 H LEU A 85 -9.021 -1.126 19.391 1.00 4.32 H new ATOM 0 HA LEU A 85 -8.167 1.678 19.197 1.00 42.01 H new ATOM 0 HB2 LEU A 85 -7.223 -0.806 20.472 1.00 53.52 H new ATOM 0 HB3 LEU A 85 -5.947 0.075 19.657 1.00 53.52 H new ATOM 0 HG LEU A 85 -5.829 0.914 21.802 1.00 42.13 H new ATOM 0 HD11 LEU A 85 -6.733 3.205 21.772 1.00 43.44 H new ATOM 0 HD12 LEU A 85 -6.009 2.760 20.208 1.00 43.44 H new ATOM 0 HD13 LEU A 85 -7.779 2.770 20.400 1.00 43.44 H new ATOM 0 HD21 LEU A 85 -7.776 1.487 23.200 1.00 4.00 H new ATOM 0 HD22 LEU A 85 -8.863 0.983 21.884 1.00 4.00 H new ATOM 0 HD23 LEU A 85 -7.814 -0.215 22.680 1.00 4.00 H new ATOM 1376 N LEU A 86 -8.136 0.229 16.661 1.00 3.25 N ATOM 1377 CA LEU A 86 -7.665 0.063 15.291 1.00 74.04 C ATOM 1378 C LEU A 86 -6.901 1.297 14.824 1.00 44.41 C ATOM 1379 O LEU A 86 -6.187 1.255 13.822 1.00 32.22 O ATOM 1380 CB LEU A 86 -8.845 -0.204 14.355 1.00 74.14 C ATOM 1381 CG LEU A 86 -10.141 0.541 14.678 1.00 43.41 C ATOM 1382 CD1 LEU A 86 -9.882 2.036 14.793 1.00 72.41 C ATOM 1383 CD2 LEU A 86 -11.196 0.261 13.618 1.00 32.12 C ATOM 0 H LEU A 86 -9.146 0.143 16.773 1.00 3.25 H new ATOM 0 HA LEU A 86 -6.988 -0.791 15.267 1.00 74.04 H new ATOM 0 HB2 LEU A 86 -8.544 0.056 13.340 1.00 74.14 H new ATOM 0 HB3 LEU A 86 -9.053 -1.274 14.362 1.00 74.14 H new ATOM 0 HG LEU A 86 -10.515 0.182 15.637 1.00 43.41 H new ATOM 0 HD11 LEU A 86 -10.815 2.550 15.023 1.00 72.41 H new ATOM 0 HD12 LEU A 86 -9.160 2.220 15.589 1.00 72.41 H new ATOM 0 HD13 LEU A 86 -9.485 2.410 13.849 1.00 72.41 H new ATOM 0 HD21 LEU A 86 -12.111 0.799 13.864 1.00 32.12 H new ATOM 0 HD22 LEU A 86 -10.831 0.591 12.645 1.00 32.12 H new ATOM 0 HD23 LEU A 86 -11.402 -0.809 13.584 1.00 32.12 H new ATOM 1395 N GLU A 87 -7.054 2.395 15.558 1.00 25.13 N ATOM 1396 CA GLU A 87 -6.376 3.641 15.219 1.00 23.34 C ATOM 1397 C GLU A 87 -4.875 3.417 15.059 1.00 43.10 C ATOM 1398 O GLU A 87 -4.375 3.254 13.945 1.00 73.02 O ATOM 1399 CB GLU A 87 -6.633 4.697 16.297 1.00 62.54 C ATOM 1400 CG GLU A 87 -5.814 5.964 16.114 1.00 35.35 C ATOM 1401 CD GLU A 87 -5.871 6.496 14.696 1.00 55.12 C ATOM 1402 OE1 GLU A 87 -6.917 6.317 14.037 1.00 15.12 O ATOM 1403 OE2 GLU A 87 -4.871 7.091 14.244 1.00 1.01 O ATOM 0 H GLU A 87 -7.641 2.447 16.391 1.00 25.13 H new ATOM 0 HA GLU A 87 -6.776 3.996 14.270 1.00 23.34 H new ATOM 0 HB2 GLU A 87 -7.692 4.955 16.296 1.00 62.54 H new ATOM 0 HB3 GLU A 87 -6.411 4.268 17.274 1.00 62.54 H new ATOM 0 HG2 GLU A 87 -6.177 6.729 16.800 1.00 35.35 H new ATOM 0 HG3 GLU A 87 -4.777 5.763 16.381 1.00 35.35 H new ATOM 1410 N LEU A 88 -4.160 3.411 16.179 1.00 15.40 N ATOM 1411 CA LEU A 88 -2.716 3.208 16.164 1.00 1.52 C ATOM 1412 C LEU A 88 -2.369 1.796 15.706 1.00 71.41 C ATOM 1413 O LEU A 88 -1.294 1.556 15.155 1.00 12.35 O ATOM 1414 CB LEU A 88 -2.131 3.464 17.554 1.00 20.04 C ATOM 1415 CG LEU A 88 -2.140 2.274 18.515 1.00 4.52 C ATOM 1416 CD1 LEU A 88 -3.543 1.703 18.644 1.00 22.33 C ATOM 1417 CD2 LEU A 88 -1.166 1.203 18.046 1.00 32.10 C ATOM 0 H LEU A 88 -4.557 3.544 17.109 1.00 15.40 H new ATOM 0 HA LEU A 88 -2.282 3.916 15.458 1.00 1.52 H new ATOM 0 HB2 LEU A 88 -1.102 3.803 17.436 1.00 20.04 H new ATOM 0 HB3 LEU A 88 -2.685 4.282 18.015 1.00 20.04 H new ATOM 0 HG LEU A 88 -1.821 2.622 19.497 1.00 4.52 H new ATOM 0 HD11 LEU A 88 -3.530 0.857 19.332 1.00 22.33 H new ATOM 0 HD12 LEU A 88 -4.215 2.471 19.027 1.00 22.33 H new ATOM 0 HD13 LEU A 88 -3.892 1.370 17.666 1.00 22.33 H new ATOM 0 HD21 LEU A 88 -1.185 0.364 18.741 1.00 32.10 H new ATOM 0 HD22 LEU A 88 -1.455 0.858 17.053 1.00 32.10 H new ATOM 0 HD23 LEU A 88 -0.159 1.619 18.007 1.00 32.10 H new ATOM 1429 N VAL A 89 -3.288 0.862 15.935 1.00 42.51 N ATOM 1430 CA VAL A 89 -3.081 -0.526 15.543 1.00 60.54 C ATOM 1431 C VAL A 89 -2.979 -0.660 14.027 1.00 20.24 C ATOM 1432 O VAL A 89 -2.345 -1.584 13.517 1.00 52.03 O ATOM 1433 CB VAL A 89 -4.221 -1.429 16.051 1.00 2.01 C ATOM 1434 CG1 VAL A 89 -4.289 -2.713 15.238 1.00 2.21 C ATOM 1435 CG2 VAL A 89 -4.039 -1.734 17.530 1.00 1.13 C ATOM 0 H VAL A 89 -4.183 1.043 16.390 1.00 42.51 H new ATOM 0 HA VAL A 89 -2.143 -0.846 15.997 1.00 60.54 H new ATOM 0 HB VAL A 89 -5.165 -0.898 15.926 1.00 2.01 H new ATOM 0 HG11 VAL A 89 -5.100 -3.338 15.612 1.00 2.21 H new ATOM 0 HG12 VAL A 89 -4.470 -2.471 14.191 1.00 2.21 H new ATOM 0 HG13 VAL A 89 -3.345 -3.251 15.328 1.00 2.21 H new ATOM 0 HG21 VAL A 89 -4.853 -2.373 17.873 1.00 1.13 H new ATOM 0 HG22 VAL A 89 -3.088 -2.245 17.682 1.00 1.13 H new ATOM 0 HG23 VAL A 89 -4.045 -0.803 18.097 1.00 1.13 H new ATOM 1445 N ASP A 90 -3.607 0.268 13.314 1.00 65.13 N ATOM 1446 CA ASP A 90 -3.585 0.255 11.856 1.00 54.24 C ATOM 1447 C ASP A 90 -2.195 -0.094 11.335 1.00 24.12 C ATOM 1448 O ASP A 90 -2.034 -1.021 10.542 1.00 22.21 O ATOM 1449 CB ASP A 90 -4.023 1.614 11.306 1.00 22.11 C ATOM 1450 CG ASP A 90 -3.826 1.723 9.807 1.00 71.42 C ATOM 1451 OD1 ASP A 90 -4.544 1.023 9.062 1.00 14.44 O ATOM 1452 OD2 ASP A 90 -2.953 2.506 9.378 1.00 52.22 O ATOM 0 H ASP A 90 -4.137 1.038 13.721 1.00 65.13 H new ATOM 0 HA ASP A 90 -4.283 -0.509 11.514 1.00 54.24 H new ATOM 0 HB2 ASP A 90 -5.074 1.777 11.544 1.00 22.11 H new ATOM 0 HB3 ASP A 90 -3.457 2.403 11.802 1.00 22.11 H new ATOM 1457 N GLN A 91 -1.194 0.655 11.787 1.00 50.34 N ATOM 1458 CA GLN A 91 0.183 0.425 11.365 1.00 54.34 C ATOM 1459 C GLN A 91 0.798 -0.743 12.128 1.00 71.14 C ATOM 1460 O GLN A 91 1.194 -1.747 11.533 1.00 3.43 O ATOM 1461 CB GLN A 91 1.021 1.687 11.577 1.00 20.14 C ATOM 1462 CG GLN A 91 0.383 2.944 11.010 1.00 12.50 C ATOM 1463 CD GLN A 91 0.161 4.012 12.063 1.00 15.20 C ATOM 1464 OE1 GLN A 91 1.055 4.805 12.358 1.00 23.03 O ATOM 1465 NE2 GLN A 91 -1.037 4.039 12.636 1.00 30.41 N ATOM 0 H GLN A 91 -1.311 1.426 12.445 1.00 50.34 H new ATOM 0 HA GLN A 91 0.175 0.177 10.304 1.00 54.34 H new ATOM 0 HB2 GLN A 91 1.190 1.826 12.645 1.00 20.14 H new ATOM 0 HB3 GLN A 91 1.998 1.546 11.115 1.00 20.14 H new ATOM 0 HG2 GLN A 91 1.018 3.345 10.220 1.00 12.50 H new ATOM 0 HG3 GLN A 91 -0.572 2.687 10.552 1.00 12.50 H new ATOM 0 HE21 GLN A 91 -1.749 3.362 12.361 1.00 30.41 H new ATOM 0 HE22 GLN A 91 -1.245 4.736 13.351 1.00 30.41 H new ATOM 1474 N LEU A 92 0.875 -0.607 13.447 1.00 42.43 N ATOM 1475 CA LEU A 92 1.443 -1.651 14.292 1.00 32.31 C ATOM 1476 C LEU A 92 1.141 -3.035 13.725 1.00 40.31 C ATOM 1477 O LEU A 92 2.044 -3.849 13.535 1.00 21.33 O ATOM 1478 CB LEU A 92 0.892 -1.539 15.715 1.00 75.44 C ATOM 1479 CG LEU A 92 1.167 -2.727 16.637 1.00 64.53 C ATOM 1480 CD1 LEU A 92 0.164 -3.842 16.386 1.00 71.32 C ATOM 1481 CD2 LEU A 92 2.589 -3.234 16.443 1.00 3.23 C ATOM 0 H LEU A 92 0.551 0.216 13.955 1.00 42.43 H new ATOM 0 HA LEU A 92 2.524 -1.516 14.316 1.00 32.31 H new ATOM 0 HB2 LEU A 92 1.309 -0.643 16.175 1.00 75.44 H new ATOM 0 HB3 LEU A 92 -0.187 -1.393 15.655 1.00 75.44 H new ATOM 0 HG LEU A 92 1.058 -2.394 17.669 1.00 64.53 H new ATOM 0 HD11 LEU A 92 0.376 -4.679 17.052 1.00 71.32 H new ATOM 0 HD12 LEU A 92 -0.844 -3.474 16.576 1.00 71.32 H new ATOM 0 HD13 LEU A 92 0.240 -4.174 15.351 1.00 71.32 H new ATOM 0 HD21 LEU A 92 2.768 -4.080 17.107 1.00 3.23 H new ATOM 0 HD22 LEU A 92 2.725 -3.550 15.409 1.00 3.23 H new ATOM 0 HD23 LEU A 92 3.295 -2.436 16.674 1.00 3.23 H new ATOM 1493 N SER A 93 -0.135 -3.292 13.454 1.00 24.22 N ATOM 1494 CA SER A 93 -0.556 -4.578 12.910 1.00 40.32 C ATOM 1495 C SER A 93 0.065 -4.816 11.537 1.00 64.21 C ATOM 1496 O SER A 93 0.600 -5.891 11.263 1.00 72.32 O ATOM 1497 CB SER A 93 -2.081 -4.637 12.809 1.00 34.40 C ATOM 1498 OG SER A 93 -2.650 -5.168 13.993 1.00 33.33 O ATOM 0 H SER A 93 -0.894 -2.627 13.602 1.00 24.22 H new ATOM 0 HA SER A 93 -0.213 -5.361 13.586 1.00 40.32 H new ATOM 0 HB2 SER A 93 -2.476 -3.637 12.629 1.00 34.40 H new ATOM 0 HB3 SER A 93 -2.369 -5.252 11.956 1.00 34.40 H new ATOM 0 HG SER A 93 -3.626 -5.194 13.904 1.00 33.33 H new ATOM 1504 N HIS A 94 -0.009 -3.805 10.677 1.00 62.30 N ATOM 1505 CA HIS A 94 0.547 -3.904 9.332 1.00 55.52 C ATOM 1506 C HIS A 94 2.071 -3.930 9.374 1.00 24.12 C ATOM 1507 O HIS A 94 2.729 -4.047 8.339 1.00 35.44 O ATOM 1508 CB HIS A 94 0.069 -2.732 8.473 1.00 10.03 C ATOM 1509 CG HIS A 94 -0.106 -3.081 7.027 1.00 34.35 C ATOM 1510 ND1 HIS A 94 0.916 -3.570 6.242 1.00 71.30 N ATOM 1511 CD2 HIS A 94 -1.195 -3.012 6.226 1.00 43.45 C ATOM 1512 CE1 HIS A 94 0.465 -3.785 5.019 1.00 14.30 C ATOM 1513 NE2 HIS A 94 -0.814 -3.454 4.983 1.00 64.03 N ATOM 0 H HIS A 94 -0.448 -2.909 10.887 1.00 62.30 H new ATOM 0 HA HIS A 94 0.198 -4.837 8.889 1.00 55.52 H new ATOM 0 HB2 HIS A 94 -0.879 -2.366 8.867 1.00 10.03 H new ATOM 0 HB3 HIS A 94 0.785 -1.915 8.557 1.00 10.03 H new ATOM 0 HD1 HIS A 94 1.871 -3.739 6.556 1.00 71.30 H new ATOM 0 HD2 HIS A 94 -2.180 -2.673 6.511 1.00 43.45 H new ATOM 0 HE1 HIS A 94 1.043 -4.166 4.190 1.00 14.30 H new ATOM 1521 N ILE A 95 2.627 -3.820 10.576 1.00 0.21 N ATOM 1522 CA ILE A 95 4.074 -3.832 10.752 1.00 11.33 C ATOM 1523 C ILE A 95 4.539 -5.135 11.392 1.00 62.53 C ATOM 1524 O ILE A 95 5.690 -5.543 11.228 1.00 11.01 O ATOM 1525 CB ILE A 95 4.545 -2.650 11.621 1.00 71.31 C ATOM 1526 CG1 ILE A 95 4.222 -1.322 10.933 1.00 63.44 C ATOM 1527 CG2 ILE A 95 6.036 -2.760 11.900 1.00 5.20 C ATOM 1528 CD1 ILE A 95 4.403 -0.118 11.829 1.00 2.51 C ATOM 0 H ILE A 95 2.097 -3.722 11.442 1.00 0.21 H new ATOM 0 HA ILE A 95 4.514 -3.741 9.759 1.00 11.33 H new ATOM 0 HB ILE A 95 4.014 -2.683 12.572 1.00 71.31 H new ATOM 0 HG12 ILE A 95 4.860 -1.212 10.056 1.00 63.44 H new ATOM 0 HG13 ILE A 95 3.192 -1.348 10.576 1.00 63.44 H new ATOM 0 HG21 ILE A 95 6.354 -1.918 12.515 1.00 5.20 H new ATOM 0 HG22 ILE A 95 6.240 -3.692 12.427 1.00 5.20 H new ATOM 0 HG23 ILE A 95 6.584 -2.749 10.958 1.00 5.20 H new ATOM 0 HD11 ILE A 95 4.156 0.788 11.275 1.00 2.51 H new ATOM 0 HD12 ILE A 95 3.745 -0.205 12.693 1.00 2.51 H new ATOM 0 HD13 ILE A 95 5.439 -0.067 12.165 1.00 2.51 H new