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 33 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000889) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0816 K(o=-0.082,f=-0.86) USER MOD Single : A 31 LYS NZ :NH3+ 156:sc= -1.43 (180deg=-2.45!) USER MOD Single : A 38 THR OG1 : rot -59:sc= -1.84 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -138:sc= -1.21 (180deg=-2.84!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 152:sc= -0.0416 (180deg=-0.396) USER MOD Single : A 83 MET CE :methyl -164:sc= -2.98! (180deg=-3.41!) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.0569 F(o=-1.1,f=-0.057) USER MOD Single : A 91 GLN : amide:sc= -0.0257 K(o=-0.026,f=-0.9) USER MOD Single : A 93 SER OG : rot -83:sc= 0.174 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 10.704 -3.208 16.852 1.00 25.22 N ATOM 165 CA ARG A 12 10.803 -3.136 18.305 1.00 75.30 C ATOM 166 C ARG A 12 10.287 -1.795 18.819 1.00 20.30 C ATOM 167 O ARG A 12 9.501 -1.743 19.764 1.00 33.30 O ATOM 168 CB ARG A 12 12.251 -3.343 18.750 1.00 4.55 C ATOM 169 CG ARG A 12 12.711 -4.790 18.678 1.00 13.42 C ATOM 170 CD ARG A 12 12.415 -5.533 19.971 1.00 34.32 C ATOM 171 NE ARG A 12 13.571 -6.289 20.445 1.00 31.01 N ATOM 172 CZ ARG A 12 14.632 -5.729 21.015 1.00 13.42 C ATOM 173 NH1 ARG A 12 14.682 -4.414 21.182 1.00 61.22 N ATOM 174 NH2 ARG A 12 15.645 -6.483 21.421 1.00 70.44 N ATOM 0 HA ARG A 12 10.185 -3.929 18.726 1.00 75.30 H new ATOM 0 HB2 ARG A 12 12.904 -2.732 18.127 1.00 4.55 H new ATOM 0 HB3 ARG A 12 12.362 -2.986 19.774 1.00 4.55 H new ATOM 0 HG2 ARG A 12 12.213 -5.290 17.847 1.00 13.42 H new ATOM 0 HG3 ARG A 12 13.781 -4.823 18.475 1.00 13.42 H new ATOM 0 HD2 ARG A 12 12.109 -4.820 20.737 1.00 34.32 H new ATOM 0 HD3 ARG A 12 11.577 -6.212 19.815 1.00 34.32 H new ATOM 0 HE ARG A 12 13.563 -7.303 20.332 1.00 31.01 H new ATOM 0 HH11 ARG A 12 13.905 -3.831 20.872 1.00 61.22 H new ATOM 0 HH12 ARG A 12 15.498 -3.986 21.620 1.00 61.22 H new ATOM 0 HH21 ARG A 12 15.610 -7.495 21.296 1.00 70.44 H new ATOM 0 HH22 ARG A 12 16.459 -6.051 21.858 1.00 70.44 H new ATOM 188 N GLU A 13 10.736 -0.714 18.190 1.00 45.20 N ATOM 189 CA GLU A 13 10.321 0.627 18.585 1.00 22.14 C ATOM 190 C GLU A 13 8.834 0.837 18.317 1.00 52.22 C ATOM 191 O GLU A 13 8.217 1.750 18.864 1.00 55.40 O ATOM 192 CB GLU A 13 11.140 1.680 17.836 1.00 11.30 C ATOM 193 CG GLU A 13 12.522 1.909 18.425 1.00 52.31 C ATOM 194 CD GLU A 13 12.709 3.323 18.940 1.00 3.03 C ATOM 195 OE1 GLU A 13 12.627 4.267 18.127 1.00 3.34 O ATOM 196 OE2 GLU A 13 12.938 3.485 20.157 1.00 32.45 O ATOM 0 H GLU A 13 11.387 -0.740 17.405 1.00 45.20 H new ATOM 0 HA GLU A 13 10.498 0.734 19.655 1.00 22.14 H new ATOM 0 HB2 GLU A 13 11.244 1.374 16.795 1.00 11.30 H new ATOM 0 HB3 GLU A 13 10.593 2.623 17.838 1.00 11.30 H new ATOM 0 HG2 GLU A 13 12.687 1.205 19.240 1.00 52.31 H new ATOM 0 HG3 GLU A 13 13.276 1.700 17.666 1.00 52.31 H new ATOM 203 N ALA A 14 8.265 -0.015 17.470 1.00 44.32 N ATOM 204 CA ALA A 14 6.851 0.076 17.129 1.00 0.12 C ATOM 205 C ALA A 14 5.976 -0.371 18.295 1.00 13.52 C ATOM 206 O ALA A 14 4.981 0.279 18.623 1.00 63.53 O ATOM 207 CB ALA A 14 6.552 -0.758 15.892 1.00 15.22 C ATOM 0 H ALA A 14 8.762 -0.776 17.007 1.00 44.32 H new ATOM 0 HA ALA A 14 6.620 1.119 16.915 1.00 0.12 H new ATOM 0 HB1 ALA A 14 5.492 -0.681 15.649 1.00 15.22 H new ATOM 0 HB2 ALA A 14 7.144 -0.391 15.054 1.00 15.22 H new ATOM 0 HB3 ALA A 14 6.805 -1.800 16.086 1.00 15.22 H new ATOM 213 N LEU A 15 6.351 -1.482 18.918 1.00 34.23 N ATOM 214 CA LEU A 15 5.599 -2.016 20.049 1.00 71.54 C ATOM 215 C LEU A 15 5.616 -1.043 21.223 1.00 25.41 C ATOM 216 O LEU A 15 4.611 -0.866 21.912 1.00 74.33 O ATOM 217 CB LEU A 15 6.178 -3.365 20.480 1.00 1.11 C ATOM 218 CG LEU A 15 5.861 -3.805 21.909 1.00 34.45 C ATOM 219 CD1 LEU A 15 4.394 -4.189 22.037 1.00 44.43 C ATOM 220 CD2 LEU A 15 6.755 -4.966 22.321 1.00 53.10 C ATOM 0 H LEU A 15 7.171 -2.031 18.660 1.00 34.23 H new ATOM 0 HA LEU A 15 4.565 -2.156 19.733 1.00 71.54 H new ATOM 0 HB2 LEU A 15 5.812 -4.130 19.796 1.00 1.11 H new ATOM 0 HB3 LEU A 15 7.261 -3.326 20.365 1.00 1.11 H new ATOM 0 HG LEU A 15 6.056 -2.967 22.578 1.00 34.45 H new ATOM 0 HD11 LEU A 15 4.187 -4.499 23.061 1.00 44.43 H new ATOM 0 HD12 LEU A 15 3.770 -3.332 21.785 1.00 44.43 H new ATOM 0 HD13 LEU A 15 4.172 -5.011 21.357 1.00 44.43 H new ATOM 0 HD21 LEU A 15 6.515 -5.266 23.341 1.00 53.10 H new ATOM 0 HD22 LEU A 15 6.592 -5.808 21.648 1.00 53.10 H new ATOM 0 HD23 LEU A 15 7.799 -4.657 22.270 1.00 53.10 H new ATOM 232 N LEU A 16 6.765 -0.413 21.445 1.00 34.22 N ATOM 233 CA LEU A 16 6.913 0.545 22.535 1.00 21.23 C ATOM 234 C LEU A 16 6.068 1.790 22.285 1.00 31.43 C ATOM 235 O LEU A 16 5.425 2.309 23.198 1.00 70.32 O ATOM 236 CB LEU A 16 8.383 0.937 22.699 1.00 34.35 C ATOM 237 CG LEU A 16 9.393 -0.210 22.652 1.00 34.41 C ATOM 238 CD1 LEU A 16 10.814 0.330 22.631 1.00 52.25 C ATOM 239 CD2 LEU A 16 9.194 -1.145 23.836 1.00 34.42 C ATOM 0 H LEU A 16 7.607 -0.548 20.885 1.00 34.22 H new ATOM 0 HA LEU A 16 6.565 0.071 23.452 1.00 21.23 H new ATOM 0 HB2 LEU A 16 8.637 1.651 21.916 1.00 34.35 H new ATOM 0 HB3 LEU A 16 8.496 1.455 23.651 1.00 34.35 H new ATOM 0 HG LEU A 16 9.228 -0.776 21.735 1.00 34.41 H new ATOM 0 HD11 LEU A 16 11.519 -0.501 22.598 1.00 52.25 H new ATOM 0 HD12 LEU A 16 10.952 0.958 21.751 1.00 52.25 H new ATOM 0 HD13 LEU A 16 10.992 0.921 23.530 1.00 52.25 H new ATOM 0 HD21 LEU A 16 9.921 -1.955 23.786 1.00 34.42 H new ATOM 0 HD22 LEU A 16 9.331 -0.591 24.764 1.00 34.42 H new ATOM 0 HD23 LEU A 16 8.186 -1.560 23.807 1.00 34.42 H new ATOM 251 N TRP A 17 6.072 2.261 21.044 1.00 43.50 N ATOM 252 CA TRP A 17 5.304 3.445 20.673 1.00 32.55 C ATOM 253 C TRP A 17 3.815 3.124 20.595 1.00 43.10 C ATOM 254 O TRP A 17 2.972 3.972 20.887 1.00 64.12 O ATOM 255 CB TRP A 17 5.791 3.995 19.332 1.00 21.02 C ATOM 256 CG TRP A 17 6.108 5.459 19.371 1.00 2.30 C ATOM 257 CD1 TRP A 17 5.364 6.444 19.956 1.00 70.22 C ATOM 258 CD2 TRP A 17 7.252 6.104 18.800 1.00 71.12 C ATOM 259 NE1 TRP A 17 5.976 7.662 19.783 1.00 62.35 N ATOM 260 CE2 TRP A 17 7.136 7.480 19.077 1.00 4.13 C ATOM 261 CE3 TRP A 17 8.363 5.652 18.083 1.00 42.52 C ATOM 262 CZ2 TRP A 17 8.090 8.406 18.661 1.00 33.42 C ATOM 263 CZ3 TRP A 17 9.308 6.572 17.670 1.00 3.33 C ATOM 264 CH2 TRP A 17 9.167 7.936 17.961 1.00 64.11 C ATOM 0 H TRP A 17 6.598 1.842 20.277 1.00 43.50 H new ATOM 0 HA TRP A 17 5.454 4.202 21.443 1.00 32.55 H new ATOM 0 HB2 TRP A 17 6.681 3.446 19.024 1.00 21.02 H new ATOM 0 HB3 TRP A 17 5.028 3.816 18.575 1.00 21.02 H new ATOM 0 HD1 TRP A 17 4.431 6.288 20.478 1.00 70.22 H new ATOM 0 HE1 TRP A 17 5.624 8.556 20.125 1.00 62.35 H new ATOM 0 HE3 TRP A 17 8.481 4.603 17.856 1.00 42.52 H new ATOM 0 HZ2 TRP A 17 7.983 9.457 18.883 1.00 33.42 H new ATOM 0 HZ3 TRP A 17 10.170 6.234 17.114 1.00 3.33 H new ATOM 0 HH2 TRP A 17 9.924 8.630 17.626 1.00 64.11 H new ATOM 275 N ALA A 18 3.499 1.895 20.199 1.00 11.44 N ATOM 276 CA ALA A 18 2.112 1.463 20.085 1.00 15.21 C ATOM 277 C ALA A 18 1.493 1.234 21.460 1.00 71.21 C ATOM 278 O ALA A 18 0.538 1.911 21.843 1.00 33.41 O ATOM 279 CB ALA A 18 2.020 0.198 19.245 1.00 24.34 C ATOM 0 H ALA A 18 4.185 1.182 19.952 1.00 11.44 H new ATOM 0 HA ALA A 18 1.550 2.256 19.590 1.00 15.21 H new ATOM 0 HB1 ALA A 18 0.978 -0.113 19.169 1.00 24.34 H new ATOM 0 HB2 ALA A 18 2.414 0.394 18.248 1.00 24.34 H new ATOM 0 HB3 ALA A 18 2.602 -0.595 19.716 1.00 24.34 H new ATOM 285 N LEU A 19 2.042 0.276 22.198 1.00 21.40 N ATOM 286 CA LEU A 19 1.544 -0.044 23.531 1.00 15.23 C ATOM 287 C LEU A 19 1.441 1.213 24.390 1.00 70.22 C ATOM 288 O LEU A 19 0.624 1.285 25.307 1.00 33.24 O ATOM 289 CB LEU A 19 2.459 -1.065 24.209 1.00 43.33 C ATOM 290 CG LEU A 19 3.835 -0.552 24.638 1.00 74.14 C ATOM 291 CD1 LEU A 19 3.752 0.123 25.998 1.00 42.23 C ATOM 292 CD2 LEU A 19 4.843 -1.691 24.666 1.00 63.21 C ATOM 0 H LEU A 19 2.833 -0.293 21.896 1.00 21.40 H new ATOM 0 HA LEU A 19 0.548 -0.473 23.426 1.00 15.23 H new ATOM 0 HB2 LEU A 19 1.947 -1.453 25.090 1.00 43.33 H new ATOM 0 HB3 LEU A 19 2.602 -1.904 23.528 1.00 43.33 H new ATOM 0 HG LEU A 19 4.171 0.186 23.909 1.00 74.14 H new ATOM 0 HD11 LEU A 19 4.740 0.482 26.287 1.00 42.23 H new ATOM 0 HD12 LEU A 19 3.062 0.965 25.945 1.00 42.23 H new ATOM 0 HD13 LEU A 19 3.395 -0.593 26.738 1.00 42.23 H new ATOM 0 HD21 LEU A 19 5.816 -1.308 24.973 1.00 63.21 H new ATOM 0 HD22 LEU A 19 4.513 -2.452 25.373 1.00 63.21 H new ATOM 0 HD23 LEU A 19 4.923 -2.130 23.672 1.00 63.21 H new ATOM 304 N SER A 20 2.275 2.202 24.084 1.00 75.11 N ATOM 305 CA SER A 20 2.279 3.456 24.828 1.00 31.34 C ATOM 306 C SER A 20 1.289 4.449 24.226 1.00 22.54 C ATOM 307 O SER A 20 0.860 5.393 24.889 1.00 13.00 O ATOM 308 CB SER A 20 3.684 4.062 24.840 1.00 74.23 C ATOM 309 OG SER A 20 3.706 5.284 25.557 1.00 61.21 O ATOM 0 H SER A 20 2.956 2.159 23.326 1.00 75.11 H new ATOM 0 HA SER A 20 1.974 3.243 25.853 1.00 31.34 H new ATOM 0 HB2 SER A 20 4.383 3.359 25.292 1.00 74.23 H new ATOM 0 HB3 SER A 20 4.019 4.231 23.817 1.00 74.23 H new ATOM 0 HG SER A 20 4.615 5.650 25.551 1.00 61.21 H new ATOM 315 N ASP A 21 0.932 4.227 22.966 1.00 11.42 N ATOM 316 CA ASP A 21 -0.008 5.101 22.273 1.00 21.03 C ATOM 317 C ASP A 21 -1.402 4.992 22.883 1.00 1.12 C ATOM 318 O ASP A 21 -2.161 5.962 22.902 1.00 43.32 O ATOM 319 CB ASP A 21 -0.060 4.752 20.785 1.00 31.52 C ATOM 320 CG ASP A 21 -1.025 5.633 20.017 1.00 43.31 C ATOM 321 OD1 ASP A 21 -2.246 5.517 20.247 1.00 13.04 O ATOM 322 OD2 ASP A 21 -0.558 6.439 19.184 1.00 10.14 O ATOM 0 H ASP A 21 1.279 3.450 22.404 1.00 11.42 H new ATOM 0 HA ASP A 21 0.339 6.128 22.385 1.00 21.03 H new ATOM 0 HB2 ASP A 21 0.937 4.851 20.357 1.00 31.52 H new ATOM 0 HB3 ASP A 21 -0.354 3.709 20.670 1.00 31.52 H new ATOM 327 N LEU A 22 -1.733 3.806 23.380 1.00 35.33 N ATOM 328 CA LEU A 22 -3.037 3.569 23.991 1.00 52.05 C ATOM 329 C LEU A 22 -3.000 3.865 25.486 1.00 12.04 C ATOM 330 O LEU A 22 -1.945 3.795 26.116 1.00 34.22 O ATOM 331 CB LEU A 22 -3.477 2.123 23.756 1.00 31.20 C ATOM 332 CG LEU A 22 -2.359 1.082 23.700 1.00 24.33 C ATOM 333 CD1 LEU A 22 -2.806 -0.218 24.352 1.00 4.51 C ATOM 334 CD2 LEU A 22 -1.928 0.838 22.261 1.00 31.02 C ATOM 0 H LEU A 22 -1.117 2.993 23.372 1.00 35.33 H new ATOM 0 HA LEU A 22 -3.757 4.242 23.525 1.00 52.05 H new ATOM 0 HB2 LEU A 22 -4.169 1.841 24.550 1.00 31.20 H new ATOM 0 HB3 LEU A 22 -4.032 2.081 22.819 1.00 31.20 H new ATOM 0 HG LEU A 22 -1.503 1.467 24.254 1.00 24.33 H new ATOM 0 HD11 LEU A 22 -1.997 -0.947 24.302 1.00 4.51 H new ATOM 0 HD12 LEU A 22 -3.064 -0.032 25.395 1.00 4.51 H new ATOM 0 HD13 LEU A 22 -3.678 -0.608 23.827 1.00 4.51 H new ATOM 0 HD21 LEU A 22 -1.131 0.094 22.241 1.00 31.02 H new ATOM 0 HD22 LEU A 22 -2.778 0.475 21.683 1.00 31.02 H new ATOM 0 HD23 LEU A 22 -1.565 1.770 21.827 1.00 31.02 H new ATOM 346 N GLU A 23 -4.159 4.194 26.048 1.00 12.03 N ATOM 347 CA GLU A 23 -4.258 4.499 27.471 1.00 53.02 C ATOM 348 C GLU A 23 -3.946 3.266 28.315 1.00 50.54 C ATOM 349 O GLU A 23 -4.051 2.136 27.841 1.00 22.53 O ATOM 350 CB GLU A 23 -5.657 5.020 27.807 1.00 33.21 C ATOM 351 CG GLU A 23 -5.926 6.422 27.288 1.00 43.31 C ATOM 352 CD GLU A 23 -7.223 6.517 26.508 1.00 44.22 C ATOM 353 OE1 GLU A 23 -8.200 5.844 26.898 1.00 3.54 O ATOM 354 OE2 GLU A 23 -7.261 7.263 25.507 1.00 4.43 O ATOM 0 H GLU A 23 -5.042 4.256 25.540 1.00 12.03 H new ATOM 0 HA GLU A 23 -3.525 5.271 27.703 1.00 53.02 H new ATOM 0 HB2 GLU A 23 -6.399 4.339 27.390 1.00 33.21 H new ATOM 0 HB3 GLU A 23 -5.789 5.011 28.889 1.00 33.21 H new ATOM 0 HG2 GLU A 23 -5.960 7.116 28.128 1.00 43.31 H new ATOM 0 HG3 GLU A 23 -5.099 6.734 26.650 1.00 43.31 H new ATOM 361 N GLU A 24 -3.562 3.495 29.566 1.00 4.44 N ATOM 362 CA GLU A 24 -3.233 2.404 30.475 1.00 24.35 C ATOM 363 C GLU A 24 -4.457 1.534 30.746 1.00 23.33 C ATOM 364 O GLU A 24 -4.341 0.324 30.936 1.00 33.25 O ATOM 365 CB GLU A 24 -2.684 2.955 31.793 1.00 42.41 C ATOM 366 CG GLU A 24 -3.596 3.977 32.452 1.00 64.20 C ATOM 367 CD GLU A 24 -3.046 5.388 32.370 1.00 74.20 C ATOM 368 OE1 GLU A 24 -1.829 5.564 32.589 1.00 74.33 O ATOM 369 OE2 GLU A 24 -3.833 6.316 32.088 1.00 62.35 O ATOM 0 H GLU A 24 -3.471 4.426 29.973 1.00 4.44 H new ATOM 0 HA GLU A 24 -2.468 1.789 30.001 1.00 24.35 H new ATOM 0 HB2 GLU A 24 -2.521 2.127 32.483 1.00 42.41 H new ATOM 0 HB3 GLU A 24 -1.712 3.413 31.609 1.00 42.41 H new ATOM 0 HG2 GLU A 24 -4.576 3.945 31.976 1.00 64.20 H new ATOM 0 HG3 GLU A 24 -3.741 3.708 33.498 1.00 64.20 H new ATOM 376 N ASN A 25 -5.629 2.160 30.763 1.00 43.24 N ATOM 377 CA ASN A 25 -6.875 1.444 31.011 1.00 3.13 C ATOM 378 C ASN A 25 -7.284 0.624 29.791 1.00 2.34 C ATOM 379 O ASN A 25 -8.348 0.005 29.775 1.00 24.24 O ATOM 380 CB ASN A 25 -7.989 2.428 31.375 1.00 24.25 C ATOM 381 CG ASN A 25 -8.226 2.505 32.871 1.00 23.24 C ATOM 382 OD1 ASN A 25 -7.338 2.200 33.668 1.00 11.33 O ATOM 383 ND2 ASN A 25 -9.428 2.913 33.259 1.00 12.33 N ATOM 0 H ASN A 25 -5.742 3.162 30.608 1.00 43.24 H new ATOM 0 HA ASN A 25 -6.713 0.763 31.846 1.00 3.13 H new ATOM 0 HB2 ASN A 25 -7.732 3.418 30.999 1.00 24.25 H new ATOM 0 HB3 ASN A 25 -8.912 2.128 30.879 1.00 24.25 H new ATOM 0 HD21 ASN A 25 -9.646 2.984 34.253 1.00 12.33 H new ATOM 0 HD22 ASN A 25 -10.133 3.156 32.563 1.00 12.33 H new ATOM 390 N ASP A 26 -6.432 0.625 28.772 1.00 3.23 N ATOM 391 CA ASP A 26 -6.703 -0.120 27.548 1.00 0.32 C ATOM 392 C ASP A 26 -5.719 -1.274 27.385 1.00 44.41 C ATOM 393 O ASP A 26 -6.119 -2.429 27.244 1.00 64.44 O ATOM 394 CB ASP A 26 -6.627 0.807 26.334 1.00 12.52 C ATOM 395 CG ASP A 26 -7.593 1.972 26.434 1.00 61.11 C ATOM 396 OD1 ASP A 26 -8.422 1.976 27.367 1.00 11.24 O ATOM 397 OD2 ASP A 26 -7.520 2.879 25.578 1.00 70.41 O ATOM 0 H ASP A 26 -5.548 1.133 28.769 1.00 3.23 H new ATOM 0 HA ASP A 26 -7.710 -0.532 27.618 1.00 0.32 H new ATOM 0 HB2 ASP A 26 -5.611 1.189 26.235 1.00 12.52 H new ATOM 0 HB3 ASP A 26 -6.843 0.236 25.431 1.00 12.52 H new ATOM 402 N PHE A 27 -4.429 -0.952 27.404 1.00 13.11 N ATOM 403 CA PHE A 27 -3.387 -1.961 27.256 1.00 73.21 C ATOM 404 C PHE A 27 -3.485 -3.010 28.360 1.00 3.33 C ATOM 405 O PHE A 27 -3.389 -4.210 28.103 1.00 2.04 O ATOM 406 CB PHE A 27 -2.005 -1.305 27.280 1.00 32.34 C ATOM 407 CG PHE A 27 -1.003 -2.049 28.116 1.00 32.33 C ATOM 408 CD1 PHE A 27 -0.880 -1.787 29.471 1.00 13.11 C ATOM 409 CD2 PHE A 27 -0.184 -3.011 27.547 1.00 41.32 C ATOM 410 CE1 PHE A 27 0.040 -2.470 30.243 1.00 4.03 C ATOM 411 CE2 PHE A 27 0.738 -3.697 28.314 1.00 62.21 C ATOM 412 CZ PHE A 27 0.851 -3.426 29.664 1.00 44.35 C ATOM 0 H PHE A 27 -4.081 -0.000 27.520 1.00 13.11 H new ATOM 0 HA PHE A 27 -3.529 -2.456 26.295 1.00 73.21 H new ATOM 0 HB2 PHE A 27 -1.630 -1.229 26.259 1.00 32.34 H new ATOM 0 HB3 PHE A 27 -2.101 -0.288 27.661 1.00 32.34 H new ATOM 0 HD1 PHE A 27 -1.511 -1.040 29.929 1.00 13.11 H new ATOM 0 HD2 PHE A 27 -0.267 -3.227 26.492 1.00 41.32 H new ATOM 0 HE1 PHE A 27 0.125 -2.256 31.298 1.00 4.03 H new ATOM 0 HE2 PHE A 27 1.370 -4.445 27.858 1.00 62.21 H new ATOM 0 HZ PHE A 27 1.572 -3.960 30.265 1.00 44.35 H new ATOM 422 N LYS A 28 -3.675 -2.548 29.591 1.00 14.53 N ATOM 423 CA LYS A 28 -3.787 -3.443 30.737 1.00 62.04 C ATOM 424 C LYS A 28 -4.943 -4.421 30.552 1.00 2.02 C ATOM 425 O LYS A 28 -4.804 -5.617 30.807 1.00 33.51 O ATOM 426 CB LYS A 28 -3.987 -2.637 32.022 1.00 25.54 C ATOM 427 CG LYS A 28 -4.348 -3.492 33.225 1.00 4.44 C ATOM 428 CD LYS A 28 -5.734 -3.157 33.751 1.00 63.54 C ATOM 429 CE LYS A 28 -6.498 -4.412 34.144 1.00 20.24 C ATOM 430 NZ LYS A 28 -7.715 -4.093 34.940 1.00 35.23 N ATOM 0 H LYS A 28 -3.755 -1.557 29.821 1.00 14.53 H new ATOM 0 HA LYS A 28 -2.861 -4.013 30.814 1.00 62.04 H new ATOM 0 HB2 LYS A 28 -3.073 -2.084 32.240 1.00 25.54 H new ATOM 0 HB3 LYS A 28 -4.774 -1.901 31.861 1.00 25.54 H new ATOM 0 HG2 LYS A 28 -4.307 -4.546 32.949 1.00 4.44 H new ATOM 0 HG3 LYS A 28 -3.612 -3.341 34.014 1.00 4.44 H new ATOM 0 HD2 LYS A 28 -5.647 -2.497 34.614 1.00 63.54 H new ATOM 0 HD3 LYS A 28 -6.292 -2.613 32.989 1.00 63.54 H new ATOM 0 HE2 LYS A 28 -6.784 -4.959 33.246 1.00 20.24 H new ATOM 0 HE3 LYS A 28 -5.847 -5.067 34.722 1.00 20.24 H new ATOM 0 HZ1 LYS A 28 -8.208 -4.974 35.188 1.00 35.23 H new ATOM 0 HZ2 LYS A 28 -7.440 -3.593 35.810 1.00 35.23 H new ATOM 0 HZ3 LYS A 28 -8.348 -3.488 34.379 1.00 35.23 H new ATOM 444 N LYS A 29 -6.083 -3.905 30.106 1.00 11.34 N ATOM 445 CA LYS A 29 -7.263 -4.732 29.885 1.00 71.14 C ATOM 446 C LYS A 29 -6.939 -5.907 28.967 1.00 32.04 C ATOM 447 O LYS A 29 -7.378 -7.033 29.206 1.00 71.15 O ATOM 448 CB LYS A 29 -8.392 -3.895 29.279 1.00 1.32 C ATOM 449 CG LYS A 29 -9.477 -3.526 30.276 1.00 54.04 C ATOM 450 CD LYS A 29 -8.902 -2.819 31.491 1.00 24.33 C ATOM 451 CE LYS A 29 -9.999 -2.245 32.374 1.00 32.31 C ATOM 452 NZ LYS A 29 -10.826 -3.315 32.998 1.00 63.51 N ATOM 0 H LYS A 29 -6.215 -2.917 29.890 1.00 11.34 H new ATOM 0 HA LYS A 29 -7.587 -5.124 30.849 1.00 71.14 H new ATOM 0 HB2 LYS A 29 -7.971 -2.982 28.858 1.00 1.32 H new ATOM 0 HB3 LYS A 29 -8.841 -4.448 28.454 1.00 1.32 H new ATOM 0 HG2 LYS A 29 -10.212 -2.882 29.793 1.00 54.04 H new ATOM 0 HG3 LYS A 29 -10.002 -4.427 30.593 1.00 54.04 H new ATOM 0 HD2 LYS A 29 -8.298 -3.519 32.068 1.00 24.33 H new ATOM 0 HD3 LYS A 29 -8.238 -2.018 31.166 1.00 24.33 H new ATOM 0 HE2 LYS A 29 -9.552 -1.630 33.155 1.00 32.31 H new ATOM 0 HE3 LYS A 29 -10.638 -1.592 31.780 1.00 32.31 H new ATOM 0 HZ1 LYS A 29 -11.552 -2.883 33.605 1.00 63.51 H new ATOM 0 HZ2 LYS A 29 -11.287 -3.876 32.254 1.00 63.51 H new ATOM 0 HZ3 LYS A 29 -10.218 -3.934 33.572 1.00 63.51 H new ATOM 466 N LEU A 30 -6.168 -5.638 27.920 1.00 71.54 N ATOM 467 CA LEU A 30 -5.784 -6.674 26.967 1.00 62.40 C ATOM 468 C LEU A 30 -4.869 -7.704 27.622 1.00 33.41 C ATOM 469 O LEU A 30 -5.148 -8.903 27.598 1.00 72.44 O ATOM 470 CB LEU A 30 -5.084 -6.049 25.759 1.00 70.52 C ATOM 471 CG LEU A 30 -5.410 -4.582 25.479 1.00 31.01 C ATOM 472 CD1 LEU A 30 -4.653 -4.091 24.255 1.00 74.03 C ATOM 473 CD2 LEU A 30 -6.909 -4.395 25.293 1.00 42.14 C ATOM 0 H LEU A 30 -5.796 -4.712 27.709 1.00 71.54 H new ATOM 0 HA LEU A 30 -6.690 -7.180 26.633 1.00 62.40 H new ATOM 0 HB2 LEU A 30 -4.007 -6.140 25.901 1.00 70.52 H new ATOM 0 HB3 LEU A 30 -5.339 -6.632 24.874 1.00 70.52 H new ATOM 0 HG LEU A 30 -5.094 -3.989 26.337 1.00 31.01 H new ATOM 0 HD11 LEU A 30 -4.898 -3.045 24.071 1.00 74.03 H new ATOM 0 HD12 LEU A 30 -3.581 -4.188 24.427 1.00 74.03 H new ATOM 0 HD13 LEU A 30 -4.937 -4.688 23.388 1.00 74.03 H new ATOM 0 HD21 LEU A 30 -7.123 -3.345 25.095 1.00 42.14 H new ATOM 0 HD22 LEU A 30 -7.250 -5.000 24.453 1.00 42.14 H new ATOM 0 HD23 LEU A 30 -7.430 -4.706 26.199 1.00 42.14 H new ATOM 485 N LYS A 31 -3.777 -7.229 28.210 1.00 45.12 N ATOM 486 CA LYS A 31 -2.822 -8.107 28.875 1.00 4.15 C ATOM 487 C LYS A 31 -3.504 -8.924 29.968 1.00 62.32 C ATOM 488 O LYS A 31 -3.122 -10.064 30.233 1.00 34.45 O ATOM 489 CB LYS A 31 -1.677 -7.288 29.476 1.00 12.43 C ATOM 490 CG LYS A 31 -0.986 -6.381 28.473 1.00 64.44 C ATOM 491 CD LYS A 31 -0.678 -7.115 27.178 1.00 32.21 C ATOM 492 CE LYS A 31 -0.305 -6.149 26.065 1.00 44.34 C ATOM 493 NZ LYS A 31 -1.469 -5.331 25.626 1.00 75.44 N ATOM 0 H LYS A 31 -3.531 -6.240 28.240 1.00 45.12 H new ATOM 0 HA LYS A 31 -2.418 -8.793 28.131 1.00 4.15 H new ATOM 0 HB2 LYS A 31 -2.066 -6.681 30.294 1.00 12.43 H new ATOM 0 HB3 LYS A 31 -0.941 -7.968 29.905 1.00 12.43 H new ATOM 0 HG2 LYS A 31 -1.620 -5.520 28.262 1.00 64.44 H new ATOM 0 HG3 LYS A 31 -0.061 -5.998 28.904 1.00 64.44 H new ATOM 0 HD2 LYS A 31 0.140 -7.816 27.342 1.00 32.21 H new ATOM 0 HD3 LYS A 31 -1.545 -7.702 26.876 1.00 32.21 H new ATOM 0 HE2 LYS A 31 0.493 -5.490 26.408 1.00 44.34 H new ATOM 0 HE3 LYS A 31 0.087 -6.708 25.215 1.00 44.34 H new ATOM 0 HZ1 LYS A 31 -1.130 -4.448 25.195 1.00 75.44 H new ATOM 0 HZ2 LYS A 31 -2.026 -5.865 24.929 1.00 75.44 H new ATOM 0 HZ3 LYS A 31 -2.066 -5.108 26.448 1.00 75.44 H new ATOM 507 N PHE A 32 -4.515 -8.335 30.597 1.00 72.11 N ATOM 508 CA PHE A 32 -5.251 -9.009 31.660 1.00 20.32 C ATOM 509 C PHE A 32 -5.816 -10.340 31.171 1.00 12.34 C ATOM 510 O PHE A 32 -5.672 -11.368 31.832 1.00 24.53 O ATOM 511 CB PHE A 32 -6.385 -8.117 32.170 1.00 63.12 C ATOM 512 CG PHE A 32 -7.345 -8.829 33.080 1.00 43.31 C ATOM 513 CD1 PHE A 32 -6.884 -9.536 34.179 1.00 44.34 C ATOM 514 CD2 PHE A 32 -8.708 -8.791 32.836 1.00 12.01 C ATOM 515 CE1 PHE A 32 -7.764 -10.191 35.018 1.00 33.43 C ATOM 516 CE2 PHE A 32 -9.594 -9.444 33.672 1.00 24.34 C ATOM 517 CZ PHE A 32 -9.121 -10.146 34.764 1.00 31.31 C ATOM 0 H PHE A 32 -4.844 -7.392 30.389 1.00 72.11 H new ATOM 0 HA PHE A 32 -4.558 -9.207 32.478 1.00 20.32 H new ATOM 0 HB2 PHE A 32 -5.957 -7.266 32.701 1.00 63.12 H new ATOM 0 HB3 PHE A 32 -6.934 -7.717 31.317 1.00 63.12 H new ATOM 0 HD1 PHE A 32 -5.824 -9.575 34.382 1.00 44.34 H new ATOM 0 HD2 PHE A 32 -9.083 -8.245 31.983 1.00 12.01 H new ATOM 0 HE1 PHE A 32 -7.392 -10.738 35.872 1.00 33.43 H new ATOM 0 HE2 PHE A 32 -10.655 -9.406 33.472 1.00 24.34 H new ATOM 0 HZ PHE A 32 -9.811 -10.659 35.418 1.00 31.31 H new ATOM 527 N TYR A 33 -6.461 -10.311 30.010 1.00 4.23 N ATOM 528 CA TYR A 33 -7.051 -11.513 29.433 1.00 4.15 C ATOM 529 C TYR A 33 -6.093 -12.168 28.443 1.00 73.24 C ATOM 530 O TYR A 33 -5.823 -13.367 28.522 1.00 31.33 O ATOM 531 CB TYR A 33 -8.370 -11.175 28.737 1.00 32.25 C ATOM 532 CG TYR A 33 -9.121 -12.390 28.240 1.00 3.11 C ATOM 533 CD1 TYR A 33 -8.854 -12.931 26.988 1.00 22.14 C ATOM 534 CD2 TYR A 33 -10.097 -12.996 29.021 1.00 10.10 C ATOM 535 CE1 TYR A 33 -9.537 -14.040 26.529 1.00 34.43 C ATOM 536 CE2 TYR A 33 -10.784 -14.106 28.571 1.00 74.33 C ATOM 537 CZ TYR A 33 -10.501 -14.625 27.324 1.00 13.33 C ATOM 538 OH TYR A 33 -11.185 -15.730 26.872 1.00 42.24 O ATOM 0 H TYR A 33 -6.589 -9.468 29.450 1.00 4.23 H new ATOM 0 HA TYR A 33 -7.245 -12.217 30.242 1.00 4.15 H new ATOM 0 HB2 TYR A 33 -9.006 -10.624 29.430 1.00 32.25 H new ATOM 0 HB3 TYR A 33 -8.168 -10.514 27.895 1.00 32.25 H new ATOM 0 HD1 TYR A 33 -8.099 -12.476 26.363 1.00 22.14 H new ATOM 0 HD2 TYR A 33 -10.322 -12.592 29.997 1.00 10.10 H new ATOM 0 HE1 TYR A 33 -9.318 -14.447 25.553 1.00 34.43 H new ATOM 0 HE2 TYR A 33 -11.539 -14.566 29.192 1.00 74.33 H new ATOM 0 HH TYR A 33 -11.827 -16.019 27.554 1.00 42.24 H new ATOM 548 N LEU A 34 -5.583 -11.373 27.509 1.00 4.44 N ATOM 549 CA LEU A 34 -4.654 -11.873 26.502 1.00 61.22 C ATOM 550 C LEU A 34 -3.494 -12.619 27.153 1.00 21.33 C ATOM 551 O LEU A 34 -3.284 -13.805 26.898 1.00 34.32 O ATOM 552 CB LEU A 34 -4.120 -10.718 25.653 1.00 1.23 C ATOM 553 CG LEU A 34 -5.013 -10.265 24.498 1.00 61.13 C ATOM 554 CD1 LEU A 34 -5.009 -11.300 23.383 1.00 0.30 C ATOM 555 CD2 LEU A 34 -6.431 -10.011 24.987 1.00 32.44 C ATOM 0 H LEU A 34 -5.797 -10.379 27.428 1.00 4.44 H new ATOM 0 HA LEU A 34 -5.194 -12.568 25.860 1.00 61.22 H new ATOM 0 HB2 LEU A 34 -3.945 -9.864 26.307 1.00 1.23 H new ATOM 0 HB3 LEU A 34 -3.153 -11.011 25.245 1.00 1.23 H new ATOM 0 HG LEU A 34 -4.615 -9.331 24.101 1.00 61.13 H new ATOM 0 HD11 LEU A 34 -5.650 -10.961 22.569 1.00 0.30 H new ATOM 0 HD12 LEU A 34 -3.992 -11.432 23.013 1.00 0.30 H new ATOM 0 HD13 LEU A 34 -5.382 -12.250 23.767 1.00 0.30 H new ATOM 0 HD21 LEU A 34 -7.052 -9.689 24.151 1.00 32.44 H new ATOM 0 HD22 LEU A 34 -6.840 -10.928 25.411 1.00 32.44 H new ATOM 0 HD23 LEU A 34 -6.419 -9.233 25.750 1.00 32.44 H new ATOM 567 N ARG A 35 -2.745 -11.917 27.997 1.00 44.03 N ATOM 568 CA ARG A 35 -1.606 -12.513 28.686 1.00 74.23 C ATOM 569 C ARG A 35 -2.061 -13.631 29.620 1.00 61.03 C ATOM 570 O ARG A 35 -1.309 -14.565 29.898 1.00 22.02 O ATOM 571 CB ARG A 35 -0.848 -11.448 29.479 1.00 13.45 C ATOM 572 CG ARG A 35 0.601 -11.285 29.051 1.00 52.24 C ATOM 573 CD ARG A 35 1.554 -11.499 30.216 1.00 61.42 C ATOM 574 NE ARG A 35 1.192 -10.689 31.376 1.00 73.42 N ATOM 575 CZ ARG A 35 1.340 -9.370 31.426 1.00 24.34 C ATOM 576 NH1 ARG A 35 1.841 -8.716 30.388 1.00 42.02 N ATOM 577 NH2 ARG A 35 0.987 -8.703 32.518 1.00 63.13 N ATOM 0 H ARG A 35 -2.906 -10.935 28.220 1.00 44.03 H new ATOM 0 HA ARG A 35 -0.940 -12.938 27.935 1.00 74.23 H new ATOM 0 HB2 ARG A 35 -1.360 -10.492 29.369 1.00 13.45 H new ATOM 0 HB3 ARG A 35 -0.878 -11.706 30.538 1.00 13.45 H new ATOM 0 HG2 ARG A 35 0.829 -11.997 28.258 1.00 52.24 H new ATOM 0 HG3 ARG A 35 0.749 -10.288 28.637 1.00 52.24 H new ATOM 0 HD2 ARG A 35 1.554 -12.553 30.495 1.00 61.42 H new ATOM 0 HD3 ARG A 35 2.569 -11.252 29.904 1.00 61.42 H new ATOM 0 HE ARG A 35 0.804 -11.162 32.192 1.00 73.42 H new ATOM 0 HH11 ARG A 35 2.114 -9.226 29.548 1.00 42.02 H new ATOM 0 HH12 ARG A 35 1.953 -7.703 30.429 1.00 42.02 H new ATOM 0 HH21 ARG A 35 0.602 -9.203 33.319 1.00 63.13 H new ATOM 0 HH22 ARG A 35 1.101 -7.690 32.556 1.00 63.13 H new ATOM 591 N ASP A 36 -3.295 -13.528 30.100 1.00 31.11 N ATOM 592 CA ASP A 36 -3.850 -14.530 31.002 1.00 34.33 C ATOM 593 C ASP A 36 -3.776 -15.922 30.381 1.00 3.42 C ATOM 594 O ASP A 36 -3.235 -16.851 30.980 1.00 41.12 O ATOM 595 CB ASP A 36 -5.301 -14.189 31.347 1.00 70.30 C ATOM 596 CG ASP A 36 -5.493 -13.901 32.823 1.00 41.41 C ATOM 597 OD1 ASP A 36 -4.479 -13.798 33.544 1.00 65.43 O ATOM 598 OD2 ASP A 36 -6.657 -13.778 33.257 1.00 15.43 O ATOM 0 H ASP A 36 -3.930 -12.761 29.880 1.00 31.11 H new ATOM 0 HA ASP A 36 -3.257 -14.528 31.916 1.00 34.33 H new ATOM 0 HB2 ASP A 36 -5.615 -13.321 30.767 1.00 70.30 H new ATOM 0 HB3 ASP A 36 -5.945 -15.018 31.055 1.00 70.30 H new ATOM 603 N MET A 37 -4.323 -16.057 29.178 1.00 74.01 N ATOM 604 CA MET A 37 -4.318 -17.335 28.476 1.00 74.31 C ATOM 605 C MET A 37 -3.060 -17.484 27.627 1.00 22.51 C ATOM 606 O MET A 37 -2.224 -18.352 27.884 1.00 1.50 O ATOM 607 CB MET A 37 -5.561 -17.461 27.593 1.00 72.24 C ATOM 608 CG MET A 37 -6.474 -18.611 27.988 1.00 42.31 C ATOM 609 SD MET A 37 -7.303 -19.358 26.572 1.00 63.12 S ATOM 610 CE MET A 37 -9.018 -19.035 26.974 1.00 41.52 C ATOM 0 H MET A 37 -4.775 -15.298 28.669 1.00 74.01 H new ATOM 0 HA MET A 37 -4.328 -18.130 29.221 1.00 74.31 H new ATOM 0 HB2 MET A 37 -6.124 -16.529 27.638 1.00 72.24 H new ATOM 0 HB3 MET A 37 -5.249 -17.595 26.557 1.00 72.24 H new ATOM 0 HG2 MET A 37 -5.890 -19.372 28.505 1.00 42.31 H new ATOM 0 HG3 MET A 37 -7.223 -18.250 28.693 1.00 42.31 H new ATOM 0 HE1 MET A 37 -9.658 -19.439 26.189 1.00 41.52 H new ATOM 0 HE2 MET A 37 -9.265 -19.510 27.924 1.00 41.52 H new ATOM 0 HE3 MET A 37 -9.177 -17.960 27.054 1.00 41.52 H new ATOM 620 N THR A 38 -2.930 -16.634 26.614 1.00 54.34 N ATOM 621 CA THR A 38 -1.775 -16.672 25.726 1.00 22.14 C ATOM 622 C THR A 38 -0.479 -16.817 26.517 1.00 74.13 C ATOM 623 O THR A 38 0.319 -17.719 26.259 1.00 5.41 O ATOM 624 CB THR A 38 -1.693 -15.404 24.856 1.00 44.01 C ATOM 625 OG1 THR A 38 -1.234 -14.299 25.642 1.00 1.23 O ATOM 626 CG2 THR A 38 -3.049 -15.074 24.251 1.00 63.12 C ATOM 0 H THR A 38 -3.612 -15.910 26.388 1.00 54.34 H new ATOM 0 HA THR A 38 -1.902 -17.540 25.079 1.00 22.14 H new ATOM 0 HB THR A 38 -0.988 -15.591 24.046 1.00 44.01 H new ATOM 0 HG1 THR A 38 -1.849 -14.153 26.391 1.00 1.23 H new ATOM 0 HG21 THR A 38 -2.966 -14.175 23.641 1.00 63.12 H new ATOM 0 HG22 THR A 38 -3.382 -15.905 23.629 1.00 63.12 H new ATOM 0 HG23 THR A 38 -3.772 -14.906 25.049 1.00 63.12 H new ATOM 634 N LEU A 39 -0.277 -15.925 27.480 1.00 22.31 N ATOM 635 CA LEU A 39 0.923 -15.955 28.310 1.00 52.52 C ATOM 636 C LEU A 39 0.653 -16.666 29.632 1.00 43.21 C ATOM 637 O LEU A 39 -0.490 -16.988 29.953 1.00 74.52 O ATOM 638 CB LEU A 39 1.418 -14.532 28.575 1.00 43.22 C ATOM 639 CG LEU A 39 2.245 -13.890 27.460 1.00 73.34 C ATOM 640 CD1 LEU A 39 3.409 -14.789 27.073 1.00 33.50 C ATOM 641 CD2 LEU A 39 1.370 -13.597 26.249 1.00 4.53 C ATOM 0 H LEU A 39 -0.928 -15.173 27.706 1.00 22.31 H new ATOM 0 HA LEU A 39 1.694 -16.508 27.773 1.00 52.52 H new ATOM 0 HB2 LEU A 39 0.553 -13.898 28.769 1.00 43.22 H new ATOM 0 HB3 LEU A 39 2.017 -14.541 29.485 1.00 43.22 H new ATOM 0 HG LEU A 39 2.648 -12.947 27.830 1.00 73.34 H new ATOM 0 HD11 LEU A 39 3.986 -14.316 26.278 1.00 33.50 H new ATOM 0 HD12 LEU A 39 4.049 -14.949 27.940 1.00 33.50 H new ATOM 0 HD13 LEU A 39 3.027 -15.748 26.722 1.00 33.50 H new ATOM 0 HD21 LEU A 39 1.974 -13.140 25.465 1.00 4.53 H new ATOM 0 HD22 LEU A 39 0.938 -14.527 25.879 1.00 4.53 H new ATOM 0 HD23 LEU A 39 0.570 -12.914 26.535 1.00 4.53 H new ATOM 784 N GLY A 49 -0.203 3.330 36.542 1.00 40.24 N ATOM 785 CA GLY A 49 1.113 3.919 36.375 1.00 20.15 C ATOM 786 C GLY A 49 2.061 3.014 35.614 1.00 21.21 C ATOM 787 O GLY A 49 3.145 3.437 35.214 1.00 23.54 O ATOM 0 HA2 GLY A 49 1.019 4.868 35.847 1.00 20.15 H new ATOM 0 HA3 GLY A 49 1.535 4.141 37.355 1.00 20.15 H new ATOM 791 N GLU A 50 1.652 1.765 35.415 1.00 63.44 N ATOM 792 CA GLU A 50 2.475 0.797 34.698 1.00 4.43 C ATOM 793 C GLU A 50 2.744 1.264 33.270 1.00 22.53 C ATOM 794 O GLU A 50 3.762 0.913 32.672 1.00 61.02 O ATOM 795 CB GLU A 50 1.793 -0.572 34.679 1.00 13.15 C ATOM 796 CG GLU A 50 1.831 -1.290 36.018 1.00 3.31 C ATOM 797 CD GLU A 50 2.690 -2.539 35.986 1.00 45.32 C ATOM 798 OE1 GLU A 50 2.310 -3.503 35.290 1.00 64.13 O ATOM 799 OE2 GLU A 50 3.744 -2.551 36.657 1.00 33.11 O ATOM 0 H GLU A 50 0.757 1.400 35.740 1.00 63.44 H new ATOM 0 HA GLU A 50 3.428 0.712 35.220 1.00 4.43 H new ATOM 0 HB2 GLU A 50 0.754 -0.447 34.373 1.00 13.15 H new ATOM 0 HB3 GLU A 50 2.274 -1.198 33.927 1.00 13.15 H new ATOM 0 HG2 GLU A 50 2.213 -0.610 36.780 1.00 3.31 H new ATOM 0 HG3 GLU A 50 0.816 -1.559 36.311 1.00 3.31 H new ATOM 806 N LEU A 51 1.824 2.055 32.730 1.00 44.22 N ATOM 807 CA LEU A 51 1.961 2.570 31.372 1.00 75.13 C ATOM 808 C LEU A 51 2.347 4.045 31.385 1.00 52.53 C ATOM 809 O LEU A 51 3.302 4.452 30.725 1.00 42.14 O ATOM 810 CB LEU A 51 0.654 2.380 30.600 1.00 74.12 C ATOM 811 CG LEU A 51 0.786 2.222 29.085 1.00 72.23 C ATOM 812 CD1 LEU A 51 0.845 0.750 28.705 1.00 52.43 C ATOM 813 CD2 LEU A 51 -0.369 2.912 28.374 1.00 50.23 C ATOM 0 H LEU A 51 0.976 2.354 33.211 1.00 44.22 H new ATOM 0 HA LEU A 51 2.754 2.011 30.876 1.00 75.13 H new ATOM 0 HB2 LEU A 51 0.147 1.499 30.994 1.00 74.12 H new ATOM 0 HB3 LEU A 51 0.009 3.235 30.801 1.00 74.12 H new ATOM 0 HG LEU A 51 1.716 2.695 28.769 1.00 72.23 H new ATOM 0 HD11 LEU A 51 0.939 0.657 27.623 1.00 52.43 H new ATOM 0 HD12 LEU A 51 1.706 0.284 29.185 1.00 52.43 H new ATOM 0 HD13 LEU A 51 -0.067 0.252 29.034 1.00 52.43 H new ATOM 0 HD21 LEU A 51 -0.258 2.789 27.297 1.00 50.23 H new ATOM 0 HD22 LEU A 51 -1.311 2.468 28.695 1.00 50.23 H new ATOM 0 HD23 LEU A 51 -0.366 3.974 28.620 1.00 50.23 H new ATOM 825 N GLU A 52 1.598 4.841 32.142 1.00 4.23 N ATOM 826 CA GLU A 52 1.864 6.271 32.242 1.00 42.51 C ATOM 827 C GLU A 52 3.114 6.536 33.076 1.00 25.30 C ATOM 828 O GLU A 52 4.047 7.199 32.624 1.00 60.52 O ATOM 829 CB GLU A 52 0.665 6.994 32.858 1.00 15.12 C ATOM 830 CG GLU A 52 0.972 8.414 33.302 1.00 12.42 C ATOM 831 CD GLU A 52 -0.129 9.391 32.937 1.00 34.21 C ATOM 832 OE1 GLU A 52 -1.216 9.314 33.548 1.00 10.11 O ATOM 833 OE2 GLU A 52 0.095 10.231 32.041 1.00 72.10 O ATOM 0 H GLU A 52 0.803 4.520 32.694 1.00 4.23 H new ATOM 0 HA GLU A 52 2.032 6.653 31.235 1.00 42.51 H new ATOM 0 HB2 GLU A 52 -0.147 7.017 32.131 1.00 15.12 H new ATOM 0 HB3 GLU A 52 0.309 6.423 33.716 1.00 15.12 H new ATOM 0 HG2 GLU A 52 1.122 8.429 34.382 1.00 12.42 H new ATOM 0 HG3 GLU A 52 1.907 8.739 32.846 1.00 12.42 H new ATOM 840 N GLY A 53 3.125 6.012 34.298 1.00 22.11 N ATOM 841 CA GLY A 53 4.264 6.202 35.177 1.00 44.22 C ATOM 842 C GLY A 53 5.547 5.645 34.592 1.00 41.21 C ATOM 843 O GLY A 53 6.527 6.372 34.421 1.00 61.44 O ATOM 0 H GLY A 53 2.365 5.459 34.695 1.00 22.11 H new ATOM 0 HA2 GLY A 53 4.391 7.266 35.377 1.00 44.22 H new ATOM 0 HA3 GLY A 53 4.065 5.719 36.134 1.00 44.22 H new ATOM 847 N LEU A 54 5.543 4.353 34.286 1.00 64.51 N ATOM 848 CA LEU A 54 6.717 3.697 33.718 1.00 14.31 C ATOM 849 C LEU A 54 6.843 4.002 32.229 1.00 60.11 C ATOM 850 O LEU A 54 6.145 4.868 31.701 1.00 0.32 O ATOM 851 CB LEU A 54 6.636 2.185 33.936 1.00 2.30 C ATOM 852 CG LEU A 54 6.136 1.731 35.308 1.00 64.53 C ATOM 853 CD1 LEU A 54 6.171 0.214 35.412 1.00 33.33 C ATOM 854 CD2 LEU A 54 6.968 2.362 36.415 1.00 52.34 C ATOM 0 H LEU A 54 4.741 3.738 34.421 1.00 64.51 H new ATOM 0 HA LEU A 54 7.601 4.084 34.225 1.00 14.31 H new ATOM 0 HB2 LEU A 54 5.980 1.763 33.174 1.00 2.30 H new ATOM 0 HB3 LEU A 54 7.627 1.761 33.774 1.00 2.30 H new ATOM 0 HG LEU A 54 5.103 2.060 35.425 1.00 64.53 H new ATOM 0 HD11 LEU A 54 5.812 -0.092 36.395 1.00 33.33 H new ATOM 0 HD12 LEU A 54 5.532 -0.218 34.642 1.00 33.33 H new ATOM 0 HD13 LEU A 54 7.194 -0.137 35.274 1.00 33.33 H new ATOM 0 HD21 LEU A 54 6.598 2.028 37.384 1.00 52.34 H new ATOM 0 HD22 LEU A 54 8.010 2.063 36.302 1.00 52.34 H new ATOM 0 HD23 LEU A 54 6.893 3.448 36.353 1.00 52.34 H new ATOM 866 N ILE A 55 7.736 3.283 31.557 1.00 72.11 N ATOM 867 CA ILE A 55 7.951 3.474 30.128 1.00 13.30 C ATOM 868 C ILE A 55 7.707 2.181 29.357 1.00 14.34 C ATOM 869 O ILE A 55 7.750 1.082 29.910 1.00 4.13 O ATOM 870 CB ILE A 55 9.379 3.972 29.835 1.00 34.51 C ATOM 871 CG1 ILE A 55 10.407 3.064 30.513 1.00 2.11 C ATOM 872 CG2 ILE A 55 9.544 5.410 30.301 1.00 5.23 C ATOM 873 CD1 ILE A 55 11.823 3.592 30.436 1.00 54.02 C ATOM 0 H ILE A 55 8.322 2.563 31.979 1.00 72.11 H new ATOM 0 HA ILE A 55 7.237 4.230 29.800 1.00 13.30 H new ATOM 0 HB ILE A 55 9.547 3.939 28.759 1.00 34.51 H new ATOM 0 HG12 ILE A 55 10.132 2.936 31.560 1.00 2.11 H new ATOM 0 HG13 ILE A 55 10.370 2.078 30.050 1.00 2.11 H new ATOM 0 HG21 ILE A 55 10.558 5.748 30.087 1.00 5.23 H new ATOM 0 HG22 ILE A 55 8.831 6.046 29.776 1.00 5.23 H new ATOM 0 HG23 ILE A 55 9.361 5.468 31.374 1.00 5.23 H new ATOM 0 HD11 ILE A 55 12.498 2.898 30.937 1.00 54.02 H new ATOM 0 HD12 ILE A 55 12.117 3.694 29.391 1.00 54.02 H new ATOM 0 HD13 ILE A 55 11.876 4.565 30.924 1.00 54.02 H new ATOM 885 N PRO A 56 7.445 2.313 28.048 1.00 13.15 N ATOM 886 CA PRO A 56 7.191 1.165 27.173 1.00 51.45 C ATOM 887 C PRO A 56 8.443 0.327 26.938 1.00 51.33 C ATOM 888 O PRO A 56 8.381 -0.902 26.897 1.00 1.42 O ATOM 889 CB PRO A 56 6.728 1.813 25.865 1.00 33.20 C ATOM 890 CG PRO A 56 7.336 3.173 25.880 1.00 73.35 C ATOM 891 CD PRO A 56 7.377 3.593 27.323 1.00 72.42 C ATOM 0 HA PRO A 56 6.465 0.476 27.604 1.00 51.45 H new ATOM 0 HB2 PRO A 56 7.061 1.240 25.000 1.00 33.20 H new ATOM 0 HB3 PRO A 56 5.641 1.866 25.813 1.00 33.20 H new ATOM 0 HG2 PRO A 56 8.337 3.157 25.450 1.00 73.35 H new ATOM 0 HG3 PRO A 56 6.745 3.871 25.287 1.00 73.35 H new ATOM 0 HD2 PRO A 56 8.242 4.221 27.534 1.00 72.42 H new ATOM 0 HD3 PRO A 56 6.492 4.166 27.600 1.00 72.42 H new ATOM 899 N VAL A 57 9.579 1.000 26.784 1.00 63.43 N ATOM 900 CA VAL A 57 10.847 0.316 26.554 1.00 12.45 C ATOM 901 C VAL A 57 11.235 -0.540 27.755 1.00 55.22 C ATOM 902 O VAL A 57 12.053 -1.452 27.641 1.00 24.00 O ATOM 903 CB VAL A 57 11.980 1.318 26.265 1.00 41.31 C ATOM 904 CG1 VAL A 57 13.297 0.588 26.049 1.00 73.23 C ATOM 905 CG2 VAL A 57 11.634 2.179 25.059 1.00 5.33 C ATOM 0 H VAL A 57 9.648 2.017 26.814 1.00 63.43 H new ATOM 0 HA VAL A 57 10.708 -0.325 25.684 1.00 12.45 H new ATOM 0 HB VAL A 57 12.093 1.972 27.130 1.00 41.31 H new ATOM 0 HG11 VAL A 57 14.086 1.313 25.846 1.00 73.23 H new ATOM 0 HG12 VAL A 57 13.549 0.019 26.944 1.00 73.23 H new ATOM 0 HG13 VAL A 57 13.202 -0.091 25.202 1.00 73.23 H new ATOM 0 HG21 VAL A 57 12.445 2.882 24.869 1.00 5.33 H new ATOM 0 HG22 VAL A 57 11.493 1.542 24.186 1.00 5.33 H new ATOM 0 HG23 VAL A 57 10.715 2.731 25.258 1.00 5.33 H new ATOM 915 N ASP A 58 10.641 -0.240 28.905 1.00 73.03 N ATOM 916 CA ASP A 58 10.922 -0.983 30.127 1.00 25.33 C ATOM 917 C ASP A 58 9.913 -2.110 30.323 1.00 13.02 C ATOM 918 O ASP A 58 10.281 -3.283 30.392 1.00 62.44 O ATOM 919 CB ASP A 58 10.900 -0.046 31.336 1.00 65.22 C ATOM 920 CG ASP A 58 11.417 -0.714 32.595 1.00 14.44 C ATOM 921 OD1 ASP A 58 11.545 -1.956 32.598 1.00 11.53 O ATOM 922 OD2 ASP A 58 11.691 0.006 33.579 1.00 43.13 O ATOM 0 H ASP A 58 9.962 0.513 29.016 1.00 73.03 H new ATOM 0 HA ASP A 58 11.916 -1.422 30.035 1.00 25.33 H new ATOM 0 HB2 ASP A 58 11.505 0.835 31.121 1.00 65.22 H new ATOM 0 HB3 ASP A 58 9.881 0.301 31.505 1.00 65.22 H new ATOM 927 N LEU A 59 8.638 -1.746 30.414 1.00 64.12 N ATOM 928 CA LEU A 59 7.574 -2.726 30.603 1.00 25.11 C ATOM 929 C LEU A 59 7.578 -3.757 29.479 1.00 33.21 C ATOM 930 O LEU A 59 7.303 -4.936 29.704 1.00 42.43 O ATOM 931 CB LEU A 59 6.215 -2.027 30.665 1.00 3.14 C ATOM 932 CG LEU A 59 5.215 -2.406 29.573 1.00 33.32 C ATOM 933 CD1 LEU A 59 3.798 -2.058 30.003 1.00 41.13 C ATOM 934 CD2 LEU A 59 5.564 -1.711 28.265 1.00 33.13 C ATOM 0 H LEU A 59 8.316 -0.780 30.360 1.00 64.12 H new ATOM 0 HA LEU A 59 7.753 -3.243 31.546 1.00 25.11 H new ATOM 0 HB2 LEU A 59 5.763 -2.240 31.634 1.00 3.14 H new ATOM 0 HB3 LEU A 59 6.380 -0.951 30.621 1.00 3.14 H new ATOM 0 HG LEU A 59 5.270 -3.483 29.414 1.00 33.32 H new ATOM 0 HD11 LEU A 59 3.100 -2.335 29.213 1.00 41.13 H new ATOM 0 HD12 LEU A 59 3.550 -2.603 30.914 1.00 41.13 H new ATOM 0 HD13 LEU A 59 3.727 -0.987 30.190 1.00 41.13 H new ATOM 0 HD21 LEU A 59 4.841 -1.993 27.499 1.00 33.13 H new ATOM 0 HD22 LEU A 59 5.538 -0.631 28.409 1.00 33.13 H new ATOM 0 HD23 LEU A 59 6.563 -2.011 27.949 1.00 33.13 H new ATOM 946 N ALA A 60 7.892 -3.305 28.269 1.00 21.45 N ATOM 947 CA ALA A 60 7.935 -4.189 27.111 1.00 24.33 C ATOM 948 C ALA A 60 8.995 -5.272 27.286 1.00 4.41 C ATOM 949 O ALA A 60 8.754 -6.442 26.994 1.00 35.22 O ATOM 950 CB ALA A 60 8.200 -3.388 25.845 1.00 3.14 C ATOM 0 H ALA A 60 8.120 -2.332 28.066 1.00 21.45 H new ATOM 0 HA ALA A 60 6.965 -4.678 27.022 1.00 24.33 H new ATOM 0 HB1 ALA A 60 8.230 -4.061 24.988 1.00 3.14 H new ATOM 0 HB2 ALA A 60 7.405 -2.656 25.704 1.00 3.14 H new ATOM 0 HB3 ALA A 60 9.156 -2.872 25.934 1.00 3.14 H new ATOM 956 N GLU A 61 10.170 -4.872 27.763 1.00 0.42 N ATOM 957 CA GLU A 61 11.267 -5.809 27.975 1.00 50.33 C ATOM 958 C GLU A 61 10.844 -6.940 28.908 1.00 50.14 C ATOM 959 O GLU A 61 11.318 -8.070 28.786 1.00 73.42 O ATOM 960 CB GLU A 61 12.483 -5.083 28.554 1.00 12.33 C ATOM 961 CG GLU A 61 13.535 -4.732 27.515 1.00 14.04 C ATOM 962 CD GLU A 61 14.784 -5.583 27.640 1.00 53.24 C ATOM 963 OE1 GLU A 61 14.654 -6.783 27.959 1.00 74.33 O ATOM 964 OE2 GLU A 61 15.890 -5.049 27.418 1.00 4.22 O ATOM 0 H GLU A 61 10.386 -3.906 28.010 1.00 0.42 H new ATOM 0 HA GLU A 61 11.535 -6.239 27.010 1.00 50.33 H new ATOM 0 HB2 GLU A 61 12.150 -4.168 29.045 1.00 12.33 H new ATOM 0 HB3 GLU A 61 12.938 -5.709 29.322 1.00 12.33 H new ATOM 0 HG2 GLU A 61 13.112 -4.858 26.518 1.00 14.04 H new ATOM 0 HG3 GLU A 61 13.804 -3.681 27.617 1.00 14.04 H new ATOM 971 N LEU A 62 9.950 -6.627 29.839 1.00 21.31 N ATOM 972 CA LEU A 62 9.462 -7.616 30.794 1.00 24.41 C ATOM 973 C LEU A 62 8.491 -8.585 30.127 1.00 52.30 C ATOM 974 O LEU A 62 8.581 -9.799 30.314 1.00 15.25 O ATOM 975 CB LEU A 62 8.779 -6.922 31.973 1.00 21.15 C ATOM 976 CG LEU A 62 7.967 -7.823 32.905 1.00 65.45 C ATOM 977 CD1 LEU A 62 8.169 -7.412 34.355 1.00 74.12 C ATOM 978 CD2 LEU A 62 6.492 -7.780 32.536 1.00 73.22 C ATOM 0 H LEU A 62 9.548 -5.696 29.953 1.00 21.31 H new ATOM 0 HA LEU A 62 10.317 -8.183 31.161 1.00 24.41 H new ATOM 0 HB2 LEU A 62 9.543 -6.417 32.564 1.00 21.15 H new ATOM 0 HB3 LEU A 62 8.118 -6.150 31.580 1.00 21.15 H new ATOM 0 HG LEU A 62 8.320 -8.847 32.788 1.00 65.45 H new ATOM 0 HD11 LEU A 62 7.584 -8.064 35.003 1.00 74.12 H new ATOM 0 HD12 LEU A 62 9.225 -7.496 34.613 1.00 74.12 H new ATOM 0 HD13 LEU A 62 7.844 -6.380 34.489 1.00 74.12 H new ATOM 0 HD21 LEU A 62 5.929 -8.427 33.209 1.00 73.22 H new ATOM 0 HD22 LEU A 62 6.125 -6.758 32.624 1.00 73.22 H new ATOM 0 HD23 LEU A 62 6.363 -8.125 31.510 1.00 73.22 H new ATOM 990 N LEU A 63 7.564 -8.040 29.346 1.00 21.42 N ATOM 991 CA LEU A 63 6.576 -8.856 28.648 1.00 23.23 C ATOM 992 C LEU A 63 7.255 -9.851 27.712 1.00 40.31 C ATOM 993 O LEU A 63 6.984 -11.051 27.764 1.00 44.13 O ATOM 994 CB LEU A 63 5.618 -7.965 27.856 1.00 32.14 C ATOM 995 CG LEU A 63 4.166 -8.440 27.782 1.00 23.13 C ATOM 996 CD1 LEU A 63 3.233 -7.266 27.529 1.00 32.52 C ATOM 997 CD2 LEU A 63 4.005 -9.496 26.698 1.00 42.51 C ATOM 0 H LEU A 63 7.476 -7.037 29.180 1.00 21.42 H new ATOM 0 HA LEU A 63 6.010 -9.415 29.393 1.00 23.23 H new ATOM 0 HB2 LEU A 63 5.631 -6.969 28.298 1.00 32.14 H new ATOM 0 HB3 LEU A 63 6.000 -7.868 26.840 1.00 32.14 H new ATOM 0 HG LEU A 63 3.901 -8.888 28.740 1.00 23.13 H new ATOM 0 HD11 LEU A 63 2.204 -7.623 27.479 1.00 32.52 H new ATOM 0 HD12 LEU A 63 3.328 -6.544 28.340 1.00 32.52 H new ATOM 0 HD13 LEU A 63 3.497 -6.788 26.586 1.00 32.52 H new ATOM 0 HD21 LEU A 63 2.966 -9.822 26.660 1.00 42.51 H new ATOM 0 HD22 LEU A 63 4.289 -9.074 25.734 1.00 42.51 H new ATOM 0 HD23 LEU A 63 4.645 -10.349 26.923 1.00 42.51 H new ATOM 1009 N ILE A 64 8.139 -9.344 26.859 1.00 53.12 N ATOM 1010 CA ILE A 64 8.858 -10.188 25.914 1.00 64.54 C ATOM 1011 C ILE A 64 9.647 -11.275 26.637 1.00 0.20 C ATOM 1012 O ILE A 64 9.880 -12.354 26.093 1.00 51.04 O ATOM 1013 CB ILE A 64 9.824 -9.363 25.043 1.00 53.23 C ATOM 1014 CG1 ILE A 64 10.845 -8.638 25.922 1.00 51.33 C ATOM 1015 CG2 ILE A 64 9.049 -8.368 24.191 1.00 63.44 C ATOM 1016 CD1 ILE A 64 12.274 -9.063 25.665 1.00 75.32 C ATOM 0 H ILE A 64 8.374 -8.353 26.803 1.00 53.12 H new ATOM 0 HA ILE A 64 8.108 -10.651 25.272 1.00 64.54 H new ATOM 0 HB ILE A 64 10.361 -10.041 24.379 1.00 53.23 H new ATOM 0 HG12 ILE A 64 10.758 -7.564 25.755 1.00 51.33 H new ATOM 0 HG13 ILE A 64 10.604 -8.818 26.970 1.00 51.33 H new ATOM 0 HG21 ILE A 64 9.745 -7.792 23.581 1.00 63.44 H new ATOM 0 HG22 ILE A 64 8.357 -8.906 23.543 1.00 63.44 H new ATOM 0 HG23 ILE A 64 8.490 -7.693 24.838 1.00 63.44 H new ATOM 0 HD11 ILE A 64 12.943 -8.508 26.323 1.00 75.32 H new ATOM 0 HD12 ILE A 64 12.377 -10.131 25.860 1.00 75.32 H new ATOM 0 HD13 ILE A 64 12.534 -8.857 24.627 1.00 75.32 H new ATOM 1028 N SER A 65 10.054 -10.983 27.868 1.00 2.51 N ATOM 1029 CA SER A 65 10.819 -11.934 28.666 1.00 14.34 C ATOM 1030 C SER A 65 9.904 -12.995 29.269 1.00 31.55 C ATOM 1031 O SER A 65 10.349 -14.087 29.624 1.00 23.13 O ATOM 1032 CB SER A 65 11.576 -11.206 29.778 1.00 2.45 C ATOM 1033 OG SER A 65 12.977 -11.362 29.628 1.00 14.04 O ATOM 0 H SER A 65 9.867 -10.095 28.335 1.00 2.51 H new ATOM 0 HA SER A 65 11.537 -12.427 28.010 1.00 14.34 H new ATOM 0 HB2 SER A 65 11.321 -10.146 29.762 1.00 2.45 H new ATOM 0 HB3 SER A 65 11.265 -11.594 30.748 1.00 2.45 H new ATOM 0 HG SER A 65 13.438 -10.886 30.350 1.00 14.04 H new ATOM 1039 N LYS A 66 8.621 -12.667 29.383 1.00 64.22 N ATOM 1040 CA LYS A 66 7.641 -13.591 29.941 1.00 2.13 C ATOM 1041 C LYS A 66 7.777 -14.974 29.313 1.00 23.21 C ATOM 1042 O LYS A 66 8.105 -15.946 29.994 1.00 65.20 O ATOM 1043 CB LYS A 66 6.224 -13.057 29.722 1.00 11.21 C ATOM 1044 CG LYS A 66 5.136 -14.019 30.167 1.00 52.13 C ATOM 1045 CD LYS A 66 5.224 -14.311 31.655 1.00 31.02 C ATOM 1046 CE LYS A 66 4.720 -13.139 32.484 1.00 72.50 C ATOM 1047 NZ LYS A 66 3.245 -12.969 32.364 1.00 23.10 N ATOM 0 H LYS A 66 8.236 -11.767 29.096 1.00 64.22 H new ATOM 0 HA LYS A 66 7.829 -13.678 31.011 1.00 2.13 H new ATOM 0 HB2 LYS A 66 6.111 -12.118 30.264 1.00 11.21 H new ATOM 0 HB3 LYS A 66 6.089 -12.833 28.664 1.00 11.21 H new ATOM 0 HG2 LYS A 66 4.158 -13.596 29.936 1.00 52.13 H new ATOM 0 HG3 LYS A 66 5.221 -14.950 29.607 1.00 52.13 H new ATOM 0 HD2 LYS A 66 4.639 -15.201 31.887 1.00 31.02 H new ATOM 0 HD3 LYS A 66 6.257 -14.530 31.923 1.00 31.02 H new ATOM 0 HE2 LYS A 66 4.984 -13.294 33.530 1.00 72.50 H new ATOM 0 HE3 LYS A 66 5.218 -12.225 32.161 1.00 72.50 H new ATOM 0 HZ1 LYS A 66 3.018 -11.958 32.275 1.00 23.10 H new ATOM 0 HZ2 LYS A 66 2.904 -13.476 31.522 1.00 23.10 H new ATOM 0 HZ3 LYS A 66 2.781 -13.354 33.211 1.00 23.10 H new ATOM 1061 N TYR A 67 7.525 -15.055 28.012 1.00 72.14 N ATOM 1062 CA TYR A 67 7.618 -16.320 27.292 1.00 4.20 C ATOM 1063 C TYR A 67 8.337 -16.136 25.959 1.00 25.30 C ATOM 1064 O TYR A 67 9.143 -16.974 25.554 1.00 13.25 O ATOM 1065 CB TYR A 67 6.223 -16.901 27.056 1.00 43.21 C ATOM 1066 CG TYR A 67 5.940 -18.145 27.868 1.00 40.35 C ATOM 1067 CD1 TYR A 67 5.598 -18.058 29.211 1.00 31.53 C ATOM 1068 CD2 TYR A 67 6.014 -19.406 27.290 1.00 74.41 C ATOM 1069 CE1 TYR A 67 5.339 -19.192 29.957 1.00 61.44 C ATOM 1070 CE2 TYR A 67 5.755 -20.546 28.027 1.00 10.33 C ATOM 1071 CZ TYR A 67 5.419 -20.434 29.360 1.00 13.52 C ATOM 1072 OH TYR A 67 5.160 -21.565 30.099 1.00 62.41 O ATOM 0 H TYR A 67 7.255 -14.260 27.434 1.00 72.14 H new ATOM 0 HA TYR A 67 8.195 -17.015 27.903 1.00 4.20 H new ATOM 0 HB2 TYR A 67 5.477 -16.143 27.296 1.00 43.21 H new ATOM 0 HB3 TYR A 67 6.110 -17.135 25.997 1.00 43.21 H new ATOM 0 HD1 TYR A 67 5.533 -17.088 29.680 1.00 31.53 H new ATOM 0 HD2 TYR A 67 6.278 -19.497 26.247 1.00 74.41 H new ATOM 0 HE1 TYR A 67 5.076 -19.107 31.001 1.00 61.44 H new ATOM 0 HE2 TYR A 67 5.815 -21.519 27.562 1.00 10.33 H new ATOM 0 HH TYR A 67 5.258 -22.357 29.530 1.00 62.41 H new ATOM 1082 N GLY A 68 8.040 -15.032 25.281 1.00 60.14 N ATOM 1083 CA GLY A 68 8.666 -14.757 24.001 1.00 40.44 C ATOM 1084 C GLY A 68 8.358 -13.362 23.493 1.00 72.13 C ATOM 1085 O GLY A 68 7.249 -12.861 23.673 1.00 52.41 O ATOM 0 H GLY A 68 7.377 -14.323 25.595 1.00 60.14 H new ATOM 0 HA2 GLY A 68 9.745 -14.876 24.095 1.00 40.44 H new ATOM 0 HA3 GLY A 68 8.327 -15.490 23.269 1.00 40.44 H new ATOM 1089 N GLU A 69 9.343 -12.734 22.858 1.00 75.25 N ATOM 1090 CA GLU A 69 9.171 -11.388 22.325 1.00 54.23 C ATOM 1091 C GLU A 69 8.202 -11.389 21.146 1.00 52.14 C ATOM 1092 O GLU A 69 7.456 -10.432 20.939 1.00 52.50 O ATOM 1093 CB GLU A 69 10.520 -10.811 21.890 1.00 74.31 C ATOM 1094 CG GLU A 69 11.202 -11.617 20.797 1.00 10.40 C ATOM 1095 CD GLU A 69 12.714 -11.513 20.854 1.00 72.43 C ATOM 1096 OE1 GLU A 69 13.233 -10.380 20.782 1.00 4.12 O ATOM 1097 OE2 GLU A 69 13.377 -12.565 20.969 1.00 10.03 O ATOM 0 H GLU A 69 10.267 -13.136 22.700 1.00 75.25 H new ATOM 0 HA GLU A 69 8.754 -10.763 23.115 1.00 54.23 H new ATOM 0 HB2 GLU A 69 10.373 -9.790 21.539 1.00 74.31 H new ATOM 0 HB3 GLU A 69 11.180 -10.758 22.756 1.00 74.31 H new ATOM 0 HG2 GLU A 69 10.910 -12.663 20.886 1.00 10.40 H new ATOM 0 HG3 GLU A 69 10.854 -11.270 19.824 1.00 10.40 H new ATOM 1104 N LYS A 70 8.219 -12.471 20.374 1.00 4.51 N ATOM 1105 CA LYS A 70 7.343 -12.599 19.216 1.00 64.03 C ATOM 1106 C LYS A 70 5.881 -12.444 19.620 1.00 52.53 C ATOM 1107 O LYS A 70 5.269 -11.403 19.381 1.00 44.31 O ATOM 1108 CB LYS A 70 7.555 -13.955 18.538 1.00 0.13 C ATOM 1109 CG LYS A 70 8.854 -14.048 17.757 1.00 70.14 C ATOM 1110 CD LYS A 70 8.867 -13.086 16.580 1.00 23.14 C ATOM 1111 CE LYS A 70 10.224 -12.418 16.422 1.00 4.23 C ATOM 1112 NZ LYS A 70 10.792 -12.629 15.062 1.00 72.51 N ATOM 0 H LYS A 70 8.831 -13.272 20.530 1.00 4.51 H new ATOM 0 HA LYS A 70 7.593 -11.805 18.513 1.00 64.03 H new ATOM 0 HB2 LYS A 70 7.540 -14.737 19.297 1.00 0.13 H new ATOM 0 HB3 LYS A 70 6.721 -14.149 17.864 1.00 0.13 H new ATOM 0 HG2 LYS A 70 9.693 -13.828 18.417 1.00 70.14 H new ATOM 0 HG3 LYS A 70 8.991 -15.068 17.396 1.00 70.14 H new ATOM 0 HD2 LYS A 70 8.616 -13.624 15.666 1.00 23.14 H new ATOM 0 HD3 LYS A 70 8.100 -12.325 16.722 1.00 23.14 H new ATOM 0 HE2 LYS A 70 10.127 -11.349 16.613 1.00 4.23 H new ATOM 0 HE3 LYS A 70 10.913 -12.814 17.168 1.00 4.23 H new ATOM 0 HZ1 LYS A 70 11.717 -12.158 14.995 1.00 72.51 H new ATOM 0 HZ2 LYS A 70 10.909 -13.648 14.889 1.00 72.51 H new ATOM 0 HZ3 LYS A 70 10.148 -12.229 14.351 1.00 72.51 H new ATOM 1126 N GLU A 71 5.327 -13.485 20.234 1.00 41.53 N ATOM 1127 CA GLU A 71 3.936 -13.462 20.671 1.00 42.50 C ATOM 1128 C GLU A 71 3.640 -12.200 21.477 1.00 41.12 C ATOM 1129 O GLU A 71 2.503 -11.732 21.521 1.00 11.22 O ATOM 1130 CB GLU A 71 3.622 -14.702 21.510 1.00 13.43 C ATOM 1131 CG GLU A 71 4.633 -14.962 22.614 1.00 61.21 C ATOM 1132 CD GLU A 71 5.685 -15.978 22.213 1.00 30.32 C ATOM 1133 OE1 GLU A 71 6.694 -15.575 21.598 1.00 25.12 O ATOM 1134 OE2 GLU A 71 5.499 -17.176 22.514 1.00 51.30 O ATOM 0 H GLU A 71 5.820 -14.354 20.440 1.00 41.53 H new ATOM 0 HA GLU A 71 3.303 -13.462 19.784 1.00 42.50 H new ATOM 0 HB2 GLU A 71 2.633 -14.589 21.954 1.00 13.43 H new ATOM 0 HB3 GLU A 71 3.580 -15.572 20.855 1.00 13.43 H new ATOM 0 HG2 GLU A 71 5.121 -14.025 22.882 1.00 61.21 H new ATOM 0 HG3 GLU A 71 4.112 -15.316 23.503 1.00 61.21 H new ATOM 1141 N ALA A 72 4.672 -11.655 22.113 1.00 61.32 N ATOM 1142 CA ALA A 72 4.524 -10.448 22.916 1.00 52.13 C ATOM 1143 C ALA A 72 3.784 -9.362 22.142 1.00 11.34 C ATOM 1144 O ALA A 72 2.692 -8.945 22.529 1.00 73.04 O ATOM 1145 CB ALA A 72 5.887 -9.943 23.366 1.00 54.31 C ATOM 0 H ALA A 72 5.620 -12.031 22.087 1.00 61.32 H new ATOM 0 HA ALA A 72 3.933 -10.697 23.797 1.00 52.13 H new ATOM 0 HB1 ALA A 72 5.761 -9.041 23.965 1.00 54.31 H new ATOM 0 HB2 ALA A 72 6.380 -10.710 23.964 1.00 54.31 H new ATOM 0 HB3 ALA A 72 6.498 -9.716 22.492 1.00 54.31 H new ATOM 1151 N VAL A 73 4.386 -8.906 21.048 1.00 30.13 N ATOM 1152 CA VAL A 73 3.784 -7.868 20.220 1.00 33.22 C ATOM 1153 C VAL A 73 2.408 -8.294 19.719 1.00 64.21 C ATOM 1154 O VAL A 73 1.481 -7.487 19.653 1.00 3.35 O ATOM 1155 CB VAL A 73 4.675 -7.527 19.012 1.00 44.43 C ATOM 1156 CG1 VAL A 73 3.882 -6.765 17.961 1.00 71.22 C ATOM 1157 CG2 VAL A 73 5.891 -6.728 19.456 1.00 2.31 C ATOM 0 H VAL A 73 5.290 -9.239 20.715 1.00 30.13 H new ATOM 0 HA VAL A 73 3.681 -6.983 20.847 1.00 33.22 H new ATOM 0 HB VAL A 73 5.023 -8.458 18.565 1.00 44.43 H new ATOM 0 HG11 VAL A 73 4.529 -6.533 17.115 1.00 71.22 H new ATOM 0 HG12 VAL A 73 3.046 -7.377 17.622 1.00 71.22 H new ATOM 0 HG13 VAL A 73 3.502 -5.839 18.392 1.00 71.22 H new ATOM 0 HG21 VAL A 73 6.510 -6.496 18.589 1.00 2.31 H new ATOM 0 HG22 VAL A 73 5.565 -5.801 19.928 1.00 2.31 H new ATOM 0 HG23 VAL A 73 6.471 -7.314 20.169 1.00 2.31 H new ATOM 1167 N LYS A 74 2.282 -9.569 19.366 1.00 43.10 N ATOM 1168 CA LYS A 74 1.020 -10.105 18.872 1.00 74.13 C ATOM 1169 C LYS A 74 -0.062 -10.026 19.944 1.00 11.02 C ATOM 1170 O LYS A 74 -1.218 -9.718 19.653 1.00 60.23 O ATOM 1171 CB LYS A 74 1.200 -11.556 18.420 1.00 30.23 C ATOM 1172 CG LYS A 74 0.452 -11.893 17.142 1.00 11.00 C ATOM 1173 CD LYS A 74 1.407 -12.193 15.999 1.00 24.03 C ATOM 1174 CE LYS A 74 1.584 -10.987 15.090 1.00 45.05 C ATOM 1175 NZ LYS A 74 2.983 -10.475 15.113 1.00 15.23 N ATOM 0 H LYS A 74 3.040 -10.250 19.413 1.00 43.10 H new ATOM 0 HA LYS A 74 0.707 -9.502 18.020 1.00 74.13 H new ATOM 0 HB2 LYS A 74 2.262 -11.752 18.272 1.00 30.23 H new ATOM 0 HB3 LYS A 74 0.861 -12.220 19.215 1.00 30.23 H new ATOM 0 HG2 LYS A 74 -0.193 -12.754 17.314 1.00 11.00 H new ATOM 0 HG3 LYS A 74 -0.195 -11.060 16.868 1.00 11.00 H new ATOM 0 HD2 LYS A 74 2.375 -12.492 16.401 1.00 24.03 H new ATOM 0 HD3 LYS A 74 1.029 -13.035 15.419 1.00 24.03 H new ATOM 0 HE2 LYS A 74 1.313 -11.259 14.070 1.00 45.05 H new ATOM 0 HE3 LYS A 74 0.902 -10.195 15.400 1.00 45.05 H new ATOM 0 HZ1 LYS A 74 3.062 -9.653 14.481 1.00 15.23 H new ATOM 0 HZ2 LYS A 74 3.233 -10.192 16.082 1.00 15.23 H new ATOM 0 HZ3 LYS A 74 3.631 -11.222 14.792 1.00 15.23 H new ATOM 1189 N VAL A 75 0.321 -10.304 21.186 1.00 32.33 N ATOM 1190 CA VAL A 75 -0.616 -10.262 22.303 1.00 40.13 C ATOM 1191 C VAL A 75 -1.162 -8.854 22.509 1.00 52.44 C ATOM 1192 O VAL A 75 -2.216 -8.668 23.117 1.00 54.43 O ATOM 1193 CB VAL A 75 0.045 -10.740 23.609 1.00 65.31 C ATOM 1194 CG1 VAL A 75 0.397 -9.555 24.495 1.00 40.22 C ATOM 1195 CG2 VAL A 75 -0.866 -11.713 24.342 1.00 11.42 C ATOM 0 H VAL A 75 1.274 -10.561 21.444 1.00 32.33 H new ATOM 0 HA VAL A 75 -1.437 -10.934 22.053 1.00 40.13 H new ATOM 0 HB VAL A 75 0.969 -11.262 23.358 1.00 65.31 H new ATOM 0 HG11 VAL A 75 0.863 -9.913 25.413 1.00 40.22 H new ATOM 0 HG12 VAL A 75 1.090 -8.900 23.968 1.00 40.22 H new ATOM 0 HG13 VAL A 75 -0.510 -9.002 24.740 1.00 40.22 H new ATOM 0 HG21 VAL A 75 -0.383 -12.041 25.263 1.00 11.42 H new ATOM 0 HG22 VAL A 75 -1.808 -11.219 24.582 1.00 11.42 H new ATOM 0 HG23 VAL A 75 -1.061 -12.577 23.707 1.00 11.42 H new ATOM 1205 N VAL A 76 -0.438 -7.863 21.997 1.00 21.23 N ATOM 1206 CA VAL A 76 -0.850 -6.470 22.123 1.00 33.43 C ATOM 1207 C VAL A 76 -1.934 -6.124 21.108 1.00 22.13 C ATOM 1208 O VAL A 76 -2.972 -5.561 21.459 1.00 22.21 O ATOM 1209 CB VAL A 76 0.341 -5.513 21.933 1.00 10.10 C ATOM 1210 CG1 VAL A 76 -0.095 -4.259 21.190 1.00 63.43 C ATOM 1211 CG2 VAL A 76 0.959 -5.158 23.277 1.00 32.01 C ATOM 0 H VAL A 76 0.437 -8.000 21.491 1.00 21.23 H new ATOM 0 HA VAL A 76 -1.247 -6.347 23.131 1.00 33.43 H new ATOM 0 HB VAL A 76 1.098 -6.018 21.333 1.00 10.10 H new ATOM 0 HG11 VAL A 76 0.760 -3.594 21.065 1.00 63.43 H new ATOM 0 HG12 VAL A 76 -0.487 -4.534 20.211 1.00 63.43 H new ATOM 0 HG13 VAL A 76 -0.871 -3.749 21.761 1.00 63.43 H new ATOM 0 HG21 VAL A 76 1.799 -4.481 23.124 1.00 32.01 H new ATOM 0 HG22 VAL A 76 0.211 -4.672 23.904 1.00 32.01 H new ATOM 0 HG23 VAL A 76 1.310 -6.066 23.767 1.00 32.01 H new ATOM 1221 N LEU A 77 -1.686 -6.464 19.848 1.00 35.22 N ATOM 1222 CA LEU A 77 -2.642 -6.190 18.780 1.00 4.01 C ATOM 1223 C LEU A 77 -3.867 -7.091 18.901 1.00 43.43 C ATOM 1224 O LEU A 77 -5.003 -6.619 18.867 1.00 55.15 O ATOM 1225 CB LEU A 77 -1.981 -6.389 17.415 1.00 42.41 C ATOM 1226 CG LEU A 77 -1.250 -7.716 17.209 1.00 35.25 C ATOM 1227 CD1 LEU A 77 -2.109 -8.679 16.404 1.00 14.13 C ATOM 1228 CD2 LEU A 77 0.087 -7.488 16.521 1.00 61.13 C ATOM 0 H LEU A 77 -0.832 -6.929 19.541 1.00 35.22 H new ATOM 0 HA LEU A 77 -2.966 -5.153 18.873 1.00 4.01 H new ATOM 0 HB2 LEU A 77 -2.748 -6.297 16.646 1.00 42.41 H new ATOM 0 HB3 LEU A 77 -1.271 -5.578 17.256 1.00 42.41 H new ATOM 0 HG LEU A 77 -1.061 -8.160 18.186 1.00 35.25 H new ATOM 0 HD11 LEU A 77 -1.573 -9.618 16.267 1.00 14.13 H new ATOM 0 HD12 LEU A 77 -3.041 -8.868 16.937 1.00 14.13 H new ATOM 0 HD13 LEU A 77 -2.330 -8.242 15.430 1.00 14.13 H new ATOM 0 HD21 LEU A 77 0.593 -8.444 16.383 1.00 61.13 H new ATOM 0 HD22 LEU A 77 -0.078 -7.021 15.550 1.00 61.13 H new ATOM 0 HD23 LEU A 77 0.706 -6.835 17.136 1.00 61.13 H new ATOM 1240 N LYS A 78 -3.628 -8.390 19.044 1.00 3.31 N ATOM 1241 CA LYS A 78 -4.710 -9.358 19.174 1.00 55.43 C ATOM 1242 C LYS A 78 -5.747 -8.882 20.186 1.00 14.32 C ATOM 1243 O LYS A 78 -6.947 -8.898 19.915 1.00 32.50 O ATOM 1244 CB LYS A 78 -4.156 -10.720 19.597 1.00 15.12 C ATOM 1245 CG LYS A 78 -4.856 -11.894 18.934 1.00 11.23 C ATOM 1246 CD LYS A 78 -6.263 -12.084 19.477 1.00 4.41 C ATOM 1247 CE LYS A 78 -6.243 -12.635 20.894 1.00 32.44 C ATOM 1248 NZ LYS A 78 -6.948 -13.944 20.990 1.00 43.03 N ATOM 0 H LYS A 78 -2.693 -8.797 19.073 1.00 3.31 H new ATOM 0 HA LYS A 78 -5.195 -9.456 18.203 1.00 55.43 H new ATOM 0 HB2 LYS A 78 -3.093 -10.760 19.359 1.00 15.12 H new ATOM 0 HB3 LYS A 78 -4.245 -10.819 20.679 1.00 15.12 H new ATOM 0 HG2 LYS A 78 -4.900 -11.732 17.857 1.00 11.23 H new ATOM 0 HG3 LYS A 78 -4.277 -12.803 19.096 1.00 11.23 H new ATOM 0 HD2 LYS A 78 -6.791 -11.131 19.463 1.00 4.41 H new ATOM 0 HD3 LYS A 78 -6.816 -12.764 18.829 1.00 4.41 H new ATOM 0 HE2 LYS A 78 -5.211 -12.753 21.223 1.00 32.44 H new ATOM 0 HE3 LYS A 78 -6.713 -11.919 21.569 1.00 32.44 H new ATOM 0 HZ1 LYS A 78 -6.912 -14.286 21.971 1.00 43.03 H new ATOM 0 HZ2 LYS A 78 -7.940 -13.826 20.700 1.00 43.03 H new ATOM 0 HZ3 LYS A 78 -6.485 -14.635 20.365 1.00 43.03 H new ATOM 1262 N GLY A 79 -5.276 -8.456 21.354 1.00 23.03 N ATOM 1263 CA GLY A 79 -6.176 -7.980 22.389 1.00 65.14 C ATOM 1264 C GLY A 79 -6.632 -6.555 22.149 1.00 0.41 C ATOM 1265 O GLY A 79 -7.681 -6.139 22.644 1.00 62.23 O ATOM 0 H GLY A 79 -4.287 -8.432 21.602 1.00 23.03 H new ATOM 0 HA2 GLY A 79 -7.047 -8.634 22.438 1.00 65.14 H new ATOM 0 HA3 GLY A 79 -5.677 -8.041 23.356 1.00 65.14 H new ATOM 1269 N LEU A 80 -5.843 -5.802 21.390 1.00 20.22 N ATOM 1270 CA LEU A 80 -6.171 -4.413 21.087 1.00 22.41 C ATOM 1271 C LEU A 80 -7.306 -4.331 20.072 1.00 53.00 C ATOM 1272 O LEU A 80 -8.088 -3.380 20.075 1.00 75.23 O ATOM 1273 CB LEU A 80 -4.938 -3.683 20.551 1.00 72.20 C ATOM 1274 CG LEU A 80 -5.012 -2.156 20.546 1.00 0.15 C ATOM 1275 CD1 LEU A 80 -5.522 -1.642 21.884 1.00 62.20 C ATOM 1276 CD2 LEU A 80 -3.650 -1.557 20.227 1.00 20.01 C ATOM 0 H LEU A 80 -4.972 -6.130 20.973 1.00 20.22 H new ATOM 0 HA LEU A 80 -6.498 -3.933 22.009 1.00 22.41 H new ATOM 0 HB2 LEU A 80 -4.076 -3.983 21.146 1.00 72.20 H new ATOM 0 HB3 LEU A 80 -4.755 -4.021 19.531 1.00 72.20 H new ATOM 0 HG LEU A 80 -5.713 -1.848 19.770 1.00 0.15 H new ATOM 0 HD11 LEU A 80 -5.568 -0.553 21.862 1.00 62.20 H new ATOM 0 HD12 LEU A 80 -6.518 -2.044 22.072 1.00 62.20 H new ATOM 0 HD13 LEU A 80 -4.846 -1.961 22.678 1.00 62.20 H new ATOM 0 HD21 LEU A 80 -3.722 -0.469 20.228 1.00 20.01 H new ATOM 0 HD22 LEU A 80 -2.928 -1.874 20.980 1.00 20.01 H new ATOM 0 HD23 LEU A 80 -3.323 -1.898 19.245 1.00 20.01 H new ATOM 1288 N LYS A 81 -7.392 -5.335 19.206 1.00 53.45 N ATOM 1289 CA LYS A 81 -8.434 -5.379 18.186 1.00 10.12 C ATOM 1290 C LYS A 81 -9.815 -5.208 18.812 1.00 43.24 C ATOM 1291 O LYS A 81 -10.571 -4.312 18.436 1.00 44.41 O ATOM 1292 CB LYS A 81 -8.370 -6.702 17.420 1.00 51.24 C ATOM 1293 CG LYS A 81 -7.617 -6.607 16.104 1.00 0.30 C ATOM 1294 CD LYS A 81 -8.449 -7.130 14.946 1.00 74.53 C ATOM 1295 CE LYS A 81 -8.543 -6.111 13.821 1.00 64.24 C ATOM 1296 NZ LYS A 81 -7.197 -5.685 13.346 1.00 51.23 N ATOM 0 H LYS A 81 -6.753 -6.130 19.190 1.00 53.45 H new ATOM 0 HA LYS A 81 -8.264 -4.556 17.492 1.00 10.12 H new ATOM 0 HB2 LYS A 81 -7.893 -7.454 18.049 1.00 51.24 H new ATOM 0 HB3 LYS A 81 -9.385 -7.048 17.224 1.00 51.24 H new ATOM 0 HG2 LYS A 81 -7.342 -5.569 15.916 1.00 0.30 H new ATOM 0 HG3 LYS A 81 -6.690 -7.176 16.173 1.00 0.30 H new ATOM 0 HD2 LYS A 81 -8.008 -8.052 14.567 1.00 74.53 H new ATOM 0 HD3 LYS A 81 -9.450 -7.377 15.299 1.00 74.53 H new ATOM 0 HE2 LYS A 81 -9.103 -6.538 12.989 1.00 64.24 H new ATOM 0 HE3 LYS A 81 -9.099 -5.239 14.166 1.00 64.24 H new ATOM 0 HZ1 LYS A 81 -7.255 -5.401 12.347 1.00 51.23 H new ATOM 0 HZ2 LYS A 81 -6.866 -4.880 13.916 1.00 51.23 H new ATOM 0 HZ3 LYS A 81 -6.528 -6.476 13.443 1.00 51.23 H new ATOM 1310 N VAL A 82 -10.137 -6.072 19.769 1.00 52.13 N ATOM 1311 CA VAL A 82 -11.426 -6.014 20.448 1.00 20.51 C ATOM 1312 C VAL A 82 -11.636 -4.659 21.115 1.00 70.55 C ATOM 1313 O VAL A 82 -12.705 -4.383 21.658 1.00 40.22 O ATOM 1314 CB VAL A 82 -11.550 -7.122 21.511 1.00 2.14 C ATOM 1315 CG1 VAL A 82 -12.998 -7.286 21.946 1.00 53.41 C ATOM 1316 CG2 VAL A 82 -10.992 -8.434 20.981 1.00 72.01 C ATOM 0 H VAL A 82 -9.523 -6.820 20.092 1.00 52.13 H new ATOM 0 HA VAL A 82 -12.192 -6.163 19.687 1.00 20.51 H new ATOM 0 HB VAL A 82 -10.965 -6.831 22.383 1.00 2.14 H new ATOM 0 HG11 VAL A 82 -13.065 -8.073 22.697 1.00 53.41 H new ATOM 0 HG12 VAL A 82 -13.359 -6.349 22.369 1.00 53.41 H new ATOM 0 HG13 VAL A 82 -13.609 -7.554 21.084 1.00 53.41 H new ATOM 0 HG21 VAL A 82 -11.088 -9.205 21.745 1.00 72.01 H new ATOM 0 HG22 VAL A 82 -11.547 -8.733 20.092 1.00 72.01 H new ATOM 0 HG23 VAL A 82 -9.940 -8.305 20.725 1.00 72.01 H new ATOM 1326 N MET A 83 -10.608 -3.818 21.068 1.00 14.13 N ATOM 1327 CA MET A 83 -10.681 -2.490 21.666 1.00 13.15 C ATOM 1328 C MET A 83 -10.985 -1.433 20.609 1.00 34.42 C ATOM 1329 O MET A 83 -11.388 -0.317 20.932 1.00 10.23 O ATOM 1330 CB MET A 83 -9.368 -2.154 22.377 1.00 75.42 C ATOM 1331 CG MET A 83 -9.485 -0.997 23.355 1.00 53.32 C ATOM 1332 SD MET A 83 -10.602 -1.355 24.725 1.00 40.55 S ATOM 1333 CE MET A 83 -9.667 -0.698 26.104 1.00 51.31 C ATOM 0 H MET A 83 -9.716 -4.032 20.623 1.00 14.13 H new ATOM 0 HA MET A 83 -11.491 -2.492 22.396 1.00 13.15 H new ATOM 0 HB2 MET A 83 -9.018 -3.037 22.912 1.00 75.42 H new ATOM 0 HB3 MET A 83 -8.612 -1.913 21.630 1.00 75.42 H new ATOM 0 HG2 MET A 83 -8.497 -0.759 23.750 1.00 53.32 H new ATOM 0 HG3 MET A 83 -9.838 -0.113 22.825 1.00 53.32 H new ATOM 0 HE1 MET A 83 -10.075 -1.086 27.038 1.00 51.31 H new ATOM 0 HE2 MET A 83 -8.623 -0.998 26.012 1.00 51.31 H new ATOM 0 HE3 MET A 83 -9.734 0.390 26.103 1.00 51.31 H new ATOM 1343 N ASN A 84 -10.790 -1.794 19.345 1.00 25.00 N ATOM 1344 CA ASN A 84 -11.042 -0.876 18.240 1.00 12.04 C ATOM 1345 C ASN A 84 -9.953 0.190 18.159 1.00 74.44 C ATOM 1346 O ASN A 84 -10.199 1.310 17.710 1.00 5.42 O ATOM 1347 CB ASN A 84 -12.411 -0.211 18.405 1.00 25.40 C ATOM 1348 CG ASN A 84 -13.234 -0.261 17.133 1.00 72.03 C ATOM 1349 OD1 ASN A 84 -12.603 0.051 16.007 1.00 21.21 O flip ATOM 1350 ND2 ASN A 84 -14.424 -0.576 17.162 1.00 62.32 N flip ATOM 0 H ASN A 84 -10.458 -2.716 19.060 1.00 25.00 H new ATOM 0 HA ASN A 84 -11.033 -1.450 17.314 1.00 12.04 H new ATOM 0 HB2 ASN A 84 -12.958 -0.705 19.208 1.00 25.40 H new ATOM 0 HB3 ASN A 84 -12.274 0.828 18.705 1.00 25.40 H new ATOM 0 HD21 ASN A 84 -14.869 -0.808 18.050 1.00 62.32 H new ATOM 0 HD22 ASN A 84 -14.965 -0.605 16.298 1.00 62.32 H new ATOM 1357 N LEU A 85 -8.750 -0.167 18.594 1.00 33.41 N ATOM 1358 CA LEU A 85 -7.622 0.757 18.570 1.00 53.40 C ATOM 1359 C LEU A 85 -6.875 0.671 17.243 1.00 74.31 C ATOM 1360 O LEU A 85 -5.666 0.898 17.183 1.00 53.13 O ATOM 1361 CB LEU A 85 -6.667 0.458 19.727 1.00 70.05 C ATOM 1362 CG LEU A 85 -6.641 1.485 20.859 1.00 50.32 C ATOM 1363 CD1 LEU A 85 -6.762 2.896 20.303 1.00 74.41 C ATOM 1364 CD2 LEU A 85 -7.754 1.206 21.858 1.00 55.22 C ATOM 0 H LEU A 85 -8.530 -1.090 18.968 1.00 33.41 H new ATOM 0 HA LEU A 85 -8.011 1.769 18.681 1.00 53.40 H new ATOM 0 HB2 LEU A 85 -6.932 -0.511 20.149 1.00 70.05 H new ATOM 0 HB3 LEU A 85 -5.658 0.365 19.324 1.00 70.05 H new ATOM 0 HG LEU A 85 -5.686 1.402 21.377 1.00 50.32 H new ATOM 0 HD11 LEU A 85 -6.742 3.613 21.123 1.00 74.41 H new ATOM 0 HD12 LEU A 85 -5.930 3.094 19.628 1.00 74.41 H new ATOM 0 HD13 LEU A 85 -7.702 2.993 19.759 1.00 74.41 H new ATOM 0 HD21 LEU A 85 -7.720 1.947 22.657 1.00 55.22 H new ATOM 0 HD22 LEU A 85 -8.718 1.261 21.353 1.00 55.22 H new ATOM 0 HD23 LEU A 85 -7.622 0.210 22.281 1.00 55.22 H new ATOM 1376 N LEU A 86 -7.603 0.343 16.181 1.00 61.50 N ATOM 1377 CA LEU A 86 -7.010 0.228 14.853 1.00 1.00 C ATOM 1378 C LEU A 86 -6.375 1.547 14.424 1.00 15.34 C ATOM 1379 O LEU A 86 -5.684 1.613 13.409 1.00 63.31 O ATOM 1380 CB LEU A 86 -8.069 -0.196 13.835 1.00 75.14 C ATOM 1381 CG LEU A 86 -8.960 0.920 13.288 1.00 42.32 C ATOM 1382 CD1 LEU A 86 -8.606 1.225 11.840 1.00 22.15 C ATOM 1383 CD2 LEU A 86 -10.428 0.540 13.411 1.00 11.20 C ATOM 0 H LEU A 86 -8.604 0.152 16.214 1.00 61.50 H new ATOM 0 HA LEU A 86 -6.230 -0.533 14.895 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -7.566 -0.676 12.996 1.00 75.14 H new ATOM 0 HB3 LEU A 86 -8.707 -0.949 14.297 1.00 75.14 H new ATOM 0 HG LEU A 86 -8.787 1.819 13.880 1.00 42.32 H new ATOM 0 HD11 LEU A 86 -9.250 2.022 11.468 1.00 22.15 H new ATOM 0 HD12 LEU A 86 -7.565 1.542 11.779 1.00 22.15 H new ATOM 0 HD13 LEU A 86 -8.749 0.330 11.234 1.00 22.15 H new ATOM 0 HD21 LEU A 86 -11.047 1.346 13.017 1.00 11.20 H new ATOM 0 HD22 LEU A 86 -10.616 -0.372 12.845 1.00 11.20 H new ATOM 0 HD23 LEU A 86 -10.674 0.373 14.460 1.00 11.20 H new ATOM 1395 N GLU A 87 -6.615 2.595 15.207 1.00 42.02 N ATOM 1396 CA GLU A 87 -6.065 3.912 14.908 1.00 51.10 C ATOM 1397 C GLU A 87 -4.559 3.834 14.679 1.00 65.34 C ATOM 1398 O GLU A 87 -4.092 3.837 13.539 1.00 65.42 O ATOM 1399 CB GLU A 87 -6.368 4.887 16.048 1.00 34.51 C ATOM 1400 CG GLU A 87 -5.745 6.259 15.857 1.00 14.25 C ATOM 1401 CD GLU A 87 -6.490 7.101 14.840 1.00 44.45 C ATOM 1402 OE1 GLU A 87 -7.392 6.559 14.168 1.00 52.01 O ATOM 1403 OE2 GLU A 87 -6.170 8.302 14.714 1.00 23.22 O ATOM 0 H GLU A 87 -7.186 2.557 16.052 1.00 42.02 H new ATOM 0 HA GLU A 87 -6.536 4.274 13.994 1.00 51.10 H new ATOM 0 HB2 GLU A 87 -7.448 4.998 16.143 1.00 34.51 H new ATOM 0 HB3 GLU A 87 -6.008 4.461 16.985 1.00 34.51 H new ATOM 0 HG2 GLU A 87 -5.727 6.782 16.813 1.00 14.25 H new ATOM 0 HG3 GLU A 87 -4.709 6.142 15.538 1.00 14.25 H new ATOM 1410 N LEU A 88 -3.803 3.764 15.769 1.00 10.20 N ATOM 1411 CA LEU A 88 -2.349 3.685 15.688 1.00 4.54 C ATOM 1412 C LEU A 88 -1.901 2.290 15.265 1.00 34.13 C ATOM 1413 O LEU A 88 -0.819 2.117 14.704 1.00 34.53 O ATOM 1414 CB LEU A 88 -1.723 4.047 17.037 1.00 70.03 C ATOM 1415 CG LEU A 88 -1.832 2.987 18.133 1.00 20.30 C ATOM 1416 CD1 LEU A 88 -3.284 2.592 18.351 1.00 33.23 C ATOM 1417 CD2 LEU A 88 -0.993 1.767 17.781 1.00 41.04 C ATOM 0 H LEU A 88 -4.173 3.760 16.720 1.00 10.20 H new ATOM 0 HA LEU A 88 -2.013 4.398 14.935 1.00 4.54 H new ATOM 0 HB2 LEU A 88 -0.668 4.269 16.877 1.00 70.03 H new ATOM 0 HB3 LEU A 88 -2.190 4.963 17.398 1.00 70.03 H new ATOM 0 HG LEU A 88 -1.449 3.411 19.061 1.00 20.30 H new ATOM 0 HD11 LEU A 88 -3.342 1.837 19.135 1.00 33.23 H new ATOM 0 HD12 LEU A 88 -3.859 3.469 18.649 1.00 33.23 H new ATOM 0 HD13 LEU A 88 -3.694 2.187 17.426 1.00 33.23 H new ATOM 0 HD21 LEU A 88 -1.083 1.023 18.573 1.00 41.04 H new ATOM 0 HD22 LEU A 88 -1.346 1.342 16.841 1.00 41.04 H new ATOM 0 HD23 LEU A 88 0.051 2.061 17.677 1.00 41.04 H new ATOM 1429 N VAL A 89 -2.743 1.297 15.536 1.00 23.13 N ATOM 1430 CA VAL A 89 -2.436 -0.083 15.181 1.00 70.41 C ATOM 1431 C VAL A 89 -2.210 -0.227 13.680 1.00 75.30 C ATOM 1432 O VAL A 89 -1.486 -1.117 13.233 1.00 2.32 O ATOM 1433 CB VAL A 89 -3.565 -1.038 15.613 1.00 24.32 C ATOM 1434 CG1 VAL A 89 -3.513 -2.326 14.805 1.00 33.24 C ATOM 1435 CG2 VAL A 89 -3.473 -1.330 17.103 1.00 14.04 C ATOM 0 H VAL A 89 -3.643 1.423 16.000 1.00 23.13 H new ATOM 0 HA VAL A 89 -1.522 -0.350 15.711 1.00 70.41 H new ATOM 0 HB VAL A 89 -4.522 -0.554 15.419 1.00 24.32 H new ATOM 0 HG11 VAL A 89 -4.318 -2.988 15.124 1.00 33.24 H new ATOM 0 HG12 VAL A 89 -3.630 -2.096 13.746 1.00 33.24 H new ATOM 0 HG13 VAL A 89 -2.553 -2.818 14.965 1.00 33.24 H new ATOM 0 HG21 VAL A 89 -4.278 -2.006 17.392 1.00 14.04 H new ATOM 0 HG22 VAL A 89 -2.512 -1.795 17.324 1.00 14.04 H new ATOM 0 HG23 VAL A 89 -3.563 -0.399 17.662 1.00 14.04 H new ATOM 1445 N ASP A 90 -2.835 0.653 12.906 1.00 13.54 N ATOM 1446 CA ASP A 90 -2.702 0.626 11.454 1.00 1.15 C ATOM 1447 C ASP A 90 -1.257 0.354 11.047 1.00 74.34 C ATOM 1448 O ASP A 90 -0.983 -0.568 10.278 1.00 14.15 O ATOM 1449 CB ASP A 90 -3.174 1.951 10.853 1.00 64.34 C ATOM 1450 CG ASP A 90 -3.084 1.964 9.339 1.00 20.53 C ATOM 1451 OD1 ASP A 90 -3.867 1.237 8.693 1.00 63.42 O ATOM 1452 OD2 ASP A 90 -2.230 2.700 8.801 1.00 33.23 O ATOM 0 H ASP A 90 -3.439 1.395 13.260 1.00 13.54 H new ATOM 0 HA ASP A 90 -3.327 -0.181 11.070 1.00 1.15 H new ATOM 0 HB2 ASP A 90 -4.205 2.137 11.155 1.00 64.34 H new ATOM 0 HB3 ASP A 90 -2.572 2.765 11.257 1.00 64.34 H new ATOM 1457 N GLN A 91 -0.339 1.162 11.565 1.00 2.14 N ATOM 1458 CA GLN A 91 1.077 1.009 11.253 1.00 22.41 C ATOM 1459 C GLN A 91 1.695 -0.122 12.069 1.00 70.43 C ATOM 1460 O GLN A 91 2.197 -1.100 11.513 1.00 72.50 O ATOM 1461 CB GLN A 91 1.825 2.315 11.523 1.00 42.31 C ATOM 1462 CG GLN A 91 1.696 3.333 10.401 1.00 12.12 C ATOM 1463 CD GLN A 91 2.815 3.226 9.384 1.00 73.10 C ATOM 1464 OE1 GLN A 91 3.324 2.137 9.117 1.00 43.20 O ATOM 1465 NE2 GLN A 91 3.203 4.358 8.810 1.00 44.25 N ATOM 0 H GLN A 91 -0.550 1.930 12.203 1.00 2.14 H new ATOM 0 HA GLN A 91 1.165 0.760 10.195 1.00 22.41 H new ATOM 0 HB2 GLN A 91 1.449 2.755 12.447 1.00 42.31 H new ATOM 0 HB3 GLN A 91 2.880 2.093 11.682 1.00 42.31 H new ATOM 0 HG2 GLN A 91 0.739 3.194 9.898 1.00 12.12 H new ATOM 0 HG3 GLN A 91 1.691 4.337 10.825 1.00 12.12 H new ATOM 0 HE21 GLN A 91 2.753 5.238 9.062 1.00 44.25 H new ATOM 0 HE22 GLN A 91 3.951 4.348 8.117 1.00 44.25 H new ATOM 1474 N LEU A 92 1.656 0.017 13.389 1.00 14.32 N ATOM 1475 CA LEU A 92 2.212 -0.993 14.282 1.00 0.04 C ATOM 1476 C LEU A 92 2.026 -2.392 13.705 1.00 74.40 C ATOM 1477 O LEU A 92 2.978 -3.167 13.608 1.00 13.41 O ATOM 1478 CB LEU A 92 1.551 -0.905 15.659 1.00 11.30 C ATOM 1479 CG LEU A 92 1.833 -2.064 16.615 1.00 61.53 C ATOM 1480 CD1 LEU A 92 0.925 -3.245 16.305 1.00 43.53 C ATOM 1481 CD2 LEU A 92 3.295 -2.478 16.534 1.00 22.40 C ATOM 0 H LEU A 92 1.245 0.820 13.865 1.00 14.32 H new ATOM 0 HA LEU A 92 3.280 -0.802 14.386 1.00 0.04 H new ATOM 0 HB2 LEU A 92 1.874 0.020 16.136 1.00 11.30 H new ATOM 0 HB3 LEU A 92 0.473 -0.831 15.518 1.00 11.30 H new ATOM 0 HG LEU A 92 1.626 -1.730 17.632 1.00 61.53 H new ATOM 0 HD11 LEU A 92 1.140 -4.060 16.996 1.00 43.53 H new ATOM 0 HD12 LEU A 92 -0.116 -2.942 16.414 1.00 43.53 H new ATOM 0 HD13 LEU A 92 1.100 -3.580 15.283 1.00 43.53 H new ATOM 0 HD21 LEU A 92 3.478 -3.304 17.221 1.00 22.40 H new ATOM 0 HD22 LEU A 92 3.528 -2.794 15.517 1.00 22.40 H new ATOM 0 HD23 LEU A 92 3.928 -1.633 16.806 1.00 22.40 H new ATOM 1493 N SER A 93 0.793 -2.709 13.321 1.00 22.30 N ATOM 1494 CA SER A 93 0.481 -4.016 12.754 1.00 23.12 C ATOM 1495 C SER A 93 1.242 -4.239 11.451 1.00 44.42 C ATOM 1496 O SER A 93 1.862 -5.284 11.251 1.00 52.14 O ATOM 1497 CB SER A 93 -1.023 -4.143 12.508 1.00 52.35 C ATOM 1498 OG SER A 93 -1.425 -3.364 11.394 1.00 43.03 O ATOM 0 H SER A 93 -0.006 -2.079 13.392 1.00 22.30 H new ATOM 0 HA SER A 93 0.790 -4.778 13.470 1.00 23.12 H new ATOM 0 HB2 SER A 93 -1.280 -5.188 12.336 1.00 52.35 H new ATOM 0 HB3 SER A 93 -1.568 -3.822 13.396 1.00 52.35 H new ATOM 0 HG SER A 93 -1.571 -2.438 11.678 1.00 43.03 H new ATOM 1504 N HIS A 94 1.191 -3.248 10.566 1.00 1.53 N ATOM 1505 CA HIS A 94 1.876 -3.333 9.281 1.00 32.43 C ATOM 1506 C HIS A 94 3.388 -3.249 9.465 1.00 61.52 C ATOM 1507 O HIS A 94 4.145 -3.328 8.497 1.00 25.11 O ATOM 1508 CB HIS A 94 1.400 -2.217 8.351 1.00 65.33 C ATOM 1509 CG HIS A 94 0.530 -2.700 7.232 1.00 61.43 C ATOM 1510 ND1 HIS A 94 -0.606 -3.455 7.434 1.00 12.10 N ATOM 1511 CD2 HIS A 94 0.634 -2.531 5.893 1.00 51.12 C ATOM 1512 CE1 HIS A 94 -1.163 -3.730 6.268 1.00 64.21 C ATOM 1513 NE2 HIS A 94 -0.430 -3.181 5.316 1.00 2.54 N ATOM 0 H HIS A 94 0.682 -2.377 10.715 1.00 1.53 H new ATOM 0 HA HIS A 94 1.636 -4.297 8.832 1.00 32.43 H new ATOM 0 HB2 HIS A 94 0.850 -1.479 8.935 1.00 65.33 H new ATOM 0 HB3 HIS A 94 2.269 -1.709 7.932 1.00 65.33 H new ATOM 0 HD2 HIS A 94 1.409 -1.986 5.375 1.00 51.12 H new ATOM 0 HE1 HIS A 94 -2.064 -4.306 6.119 1.00 64.21 H new ATOM 0 HE2 HIS A 94 -0.623 -3.231 4.316 1.00 2.54 H new ATOM 1521 N ILE A 95 3.820 -3.089 10.711 1.00 11.20 N ATOM 1522 CA ILE A 95 5.241 -2.995 11.020 1.00 2.53 C ATOM 1523 C ILE A 95 5.702 -4.183 11.857 1.00 32.30 C ATOM 1524 O ILE A 95 6.897 -4.467 11.946 1.00 10.11 O ATOM 1525 CB ILE A 95 5.568 -1.692 11.775 1.00 20.51 C ATOM 1526 CG1 ILE A 95 5.158 -0.477 10.941 1.00 62.11 C ATOM 1527 CG2 ILE A 95 7.050 -1.634 12.113 1.00 21.14 C ATOM 1528 CD1 ILE A 95 5.114 0.812 11.732 1.00 74.51 C ATOM 0 H ILE A 95 3.206 -3.022 11.523 1.00 11.20 H new ATOM 0 HA ILE A 95 5.771 -2.997 10.068 1.00 2.53 H new ATOM 0 HB ILE A 95 5.002 -1.677 12.706 1.00 20.51 H new ATOM 0 HG12 ILE A 95 5.858 -0.362 10.113 1.00 62.11 H new ATOM 0 HG13 ILE A 95 4.176 -0.660 10.505 1.00 62.11 H new ATOM 0 HG21 ILE A 95 7.266 -0.708 12.646 1.00 21.14 H new ATOM 0 HG22 ILE A 95 7.313 -2.484 12.742 1.00 21.14 H new ATOM 0 HG23 ILE A 95 7.634 -1.668 11.194 1.00 21.14 H new ATOM 0 HD11 ILE A 95 4.816 1.631 11.077 1.00 74.51 H new ATOM 0 HD12 ILE A 95 4.393 0.716 12.544 1.00 74.51 H new ATOM 0 HD13 ILE A 95 6.101 1.019 12.146 1.00 74.51 H new