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 Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.34 K(o=-0.34,f=-0.9) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= 0.141 (180deg=-0.546) USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= -0.784 (180deg=-1.78) 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 -42:sc= -0.966 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -133:sc= -0.497 (180deg=-2.46!) 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+ -119:sc= 0.907 (180deg=-0.317) USER MOD Single : A 78 LYS NZ :NH3+ 137:sc= -0.162 (180deg=-1) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -125:sc= -3.3 (180deg=-6.84!) USER MOD Single : A 84 ASN : amide:sc= -0.0478 X(o=-0.048,f=0) USER MOD Single : A 91 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.67) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 11.842 -5.181 16.927 1.00 32.30 N ATOM 165 CA ARG A 12 11.560 -5.118 18.356 1.00 75.40 C ATOM 166 C ARG A 12 11.281 -3.683 18.792 1.00 31.15 C ATOM 167 O ARG A 12 10.343 -3.425 19.546 1.00 2.12 O ATOM 168 CB ARG A 12 12.734 -5.687 19.155 1.00 53.11 C ATOM 169 CG ARG A 12 12.388 -6.946 19.934 1.00 51.44 C ATOM 170 CD ARG A 12 13.633 -7.612 20.497 1.00 64.25 C ATOM 171 NE ARG A 12 14.536 -8.065 19.442 1.00 42.14 N ATOM 172 CZ ARG A 12 15.800 -8.413 19.655 1.00 21.24 C ATOM 173 NH1 ARG A 12 16.308 -8.361 20.879 1.00 33.51 N ATOM 174 NH2 ARG A 12 16.559 -8.815 18.644 1.00 41.13 N ATOM 0 HA ARG A 12 10.672 -5.718 18.553 1.00 75.40 H new ATOM 0 HB2 ARG A 12 13.555 -5.907 18.472 1.00 53.11 H new ATOM 0 HB3 ARG A 12 13.092 -4.927 19.850 1.00 53.11 H new ATOM 0 HG2 ARG A 12 11.708 -6.696 20.748 1.00 51.44 H new ATOM 0 HG3 ARG A 12 11.863 -7.645 19.283 1.00 51.44 H new ATOM 0 HD2 ARG A 12 14.157 -6.911 21.146 1.00 64.25 H new ATOM 0 HD3 ARG A 12 13.342 -8.462 21.115 1.00 64.25 H new ATOM 0 HE ARG A 12 14.176 -8.117 18.489 1.00 42.14 H new ATOM 0 HH11 ARG A 12 15.728 -8.053 21.659 1.00 33.51 H new ATOM 0 HH12 ARG A 12 17.279 -8.629 21.040 1.00 33.51 H new ATOM 0 HH21 ARG A 12 16.172 -8.857 17.701 1.00 41.13 H new ATOM 0 HH22 ARG A 12 17.529 -9.082 18.809 1.00 41.13 H new ATOM 188 N GLU A 13 12.103 -2.754 18.314 1.00 75.24 N ATOM 189 CA GLU A 13 11.945 -1.346 18.656 1.00 15.40 C ATOM 190 C GLU A 13 10.548 -0.851 18.292 1.00 13.40 C ATOM 191 O GLU A 13 10.068 0.143 18.837 1.00 21.14 O ATOM 192 CB GLU A 13 13.000 -0.502 17.938 1.00 52.21 C ATOM 193 CG GLU A 13 14.026 0.115 18.874 1.00 54.33 C ATOM 194 CD GLU A 13 14.788 1.258 18.231 1.00 24.44 C ATOM 195 OE1 GLU A 13 14.569 1.517 17.030 1.00 62.22 O ATOM 196 OE2 GLU A 13 15.605 1.893 18.931 1.00 32.35 O ATOM 0 H GLU A 13 12.885 -2.951 17.689 1.00 75.24 H new ATOM 0 HA GLU A 13 12.079 -1.243 19.733 1.00 15.40 H new ATOM 0 HB2 GLU A 13 13.516 -1.125 17.207 1.00 52.21 H new ATOM 0 HB3 GLU A 13 12.501 0.293 17.384 1.00 52.21 H new ATOM 0 HG2 GLU A 13 13.523 0.477 19.771 1.00 54.33 H new ATOM 0 HG3 GLU A 13 14.731 -0.653 19.192 1.00 54.33 H new ATOM 203 N ALA A 14 9.901 -1.551 17.366 1.00 12.21 N ATOM 204 CA ALA A 14 8.559 -1.184 16.930 1.00 62.33 C ATOM 205 C ALA A 14 7.524 -1.517 17.999 1.00 61.42 C ATOM 206 O ALA A 14 6.713 -0.671 18.377 1.00 73.20 O ATOM 207 CB ALA A 14 8.218 -1.888 15.625 1.00 60.04 C ATOM 0 H ALA A 14 10.284 -2.375 16.903 1.00 12.21 H new ATOM 0 HA ALA A 14 8.539 -0.107 16.766 1.00 62.33 H new ATOM 0 HB1 ALA A 14 7.213 -1.605 15.311 1.00 60.04 H new ATOM 0 HB2 ALA A 14 8.934 -1.597 14.857 1.00 60.04 H new ATOM 0 HB3 ALA A 14 8.262 -2.967 15.772 1.00 60.04 H new ATOM 213 N LEU A 15 7.557 -2.754 18.482 1.00 32.32 N ATOM 214 CA LEU A 15 6.620 -3.200 19.508 1.00 3.33 C ATOM 215 C LEU A 15 6.610 -2.237 20.691 1.00 12.40 C ATOM 216 O LEU A 15 5.577 -2.032 21.330 1.00 54.13 O ATOM 217 CB LEU A 15 6.986 -4.606 19.985 1.00 64.54 C ATOM 218 CG LEU A 15 7.948 -4.684 21.171 1.00 64.34 C ATOM 219 CD1 LEU A 15 7.179 -4.686 22.483 1.00 63.24 C ATOM 220 CD2 LEU A 15 8.828 -5.922 21.064 1.00 55.12 C ATOM 0 H LEU A 15 8.222 -3.466 18.180 1.00 32.32 H new ATOM 0 HA LEU A 15 5.622 -3.220 19.070 1.00 3.33 H new ATOM 0 HB2 LEU A 15 6.067 -5.127 20.253 1.00 64.54 H new ATOM 0 HB3 LEU A 15 7.427 -5.148 19.149 1.00 64.54 H new ATOM 0 HG LEU A 15 8.590 -3.804 21.152 1.00 64.34 H new ATOM 0 HD11 LEU A 15 7.880 -4.742 23.316 1.00 63.24 H new ATOM 0 HD12 LEU A 15 6.593 -3.770 22.563 1.00 63.24 H new ATOM 0 HD13 LEU A 15 6.512 -5.547 22.512 1.00 63.24 H new ATOM 0 HD21 LEU A 15 9.506 -5.961 21.916 1.00 55.12 H new ATOM 0 HD22 LEU A 15 8.202 -6.814 21.057 1.00 55.12 H new ATOM 0 HD23 LEU A 15 9.407 -5.878 20.141 1.00 55.12 H new ATOM 232 N LEU A 16 7.765 -1.646 20.977 1.00 70.15 N ATOM 233 CA LEU A 16 7.889 -0.702 22.082 1.00 50.35 C ATOM 234 C LEU A 16 7.256 0.639 21.725 1.00 12.43 C ATOM 235 O LEU A 16 6.615 1.276 22.562 1.00 42.12 O ATOM 236 CB LEU A 16 9.361 -0.503 22.446 1.00 43.14 C ATOM 237 CG LEU A 16 10.234 -1.758 22.423 1.00 33.53 C ATOM 238 CD1 LEU A 16 11.707 -1.386 22.494 1.00 74.42 C ATOM 239 CD2 LEU A 16 9.861 -2.687 23.570 1.00 70.33 C ATOM 0 H LEU A 16 8.629 -1.804 20.459 1.00 70.15 H new ATOM 0 HA LEU A 16 7.361 -1.115 22.942 1.00 50.35 H new ATOM 0 HB2 LEU A 16 9.789 0.226 21.758 1.00 43.14 H new ATOM 0 HB3 LEU A 16 9.412 -0.068 23.444 1.00 43.14 H new ATOM 0 HG LEU A 16 10.058 -2.282 21.484 1.00 33.53 H new ATOM 0 HD11 LEU A 16 12.312 -2.292 22.476 1.00 74.42 H new ATOM 0 HD12 LEU A 16 11.966 -0.760 21.640 1.00 74.42 H new ATOM 0 HD13 LEU A 16 11.900 -0.839 23.417 1.00 74.42 H new ATOM 0 HD21 LEU A 16 10.492 -3.575 23.539 1.00 70.33 H new ATOM 0 HD22 LEU A 16 10.008 -2.171 24.519 1.00 70.33 H new ATOM 0 HD23 LEU A 16 8.816 -2.981 23.475 1.00 70.33 H new ATOM 251 N TRP A 17 7.438 1.061 20.479 1.00 32.02 N ATOM 252 CA TRP A 17 6.882 2.326 20.012 1.00 61.14 C ATOM 253 C TRP A 17 5.379 2.209 19.782 1.00 24.32 C ATOM 254 O TRP A 17 4.637 3.173 19.965 1.00 3.21 O ATOM 255 CB TRP A 17 7.575 2.765 18.720 1.00 31.45 C ATOM 256 CG TRP A 17 7.223 4.160 18.302 1.00 11.11 C ATOM 257 CD1 TRP A 17 6.441 4.526 17.244 1.00 63.14 C ATOM 258 CD2 TRP A 17 7.642 5.375 18.933 1.00 51.22 C ATOM 259 NE1 TRP A 17 6.349 5.895 17.178 1.00 1.34 N ATOM 260 CE2 TRP A 17 7.076 6.440 18.204 1.00 71.51 C ATOM 261 CE3 TRP A 17 8.438 5.668 20.043 1.00 30.14 C ATOM 262 CZ2 TRP A 17 7.283 7.772 18.551 1.00 63.04 C ATOM 263 CZ3 TRP A 17 8.643 6.991 20.386 1.00 60.21 C ATOM 264 CH2 TRP A 17 8.067 8.029 19.642 1.00 1.53 C ATOM 0 H TRP A 17 7.966 0.546 19.774 1.00 32.02 H new ATOM 0 HA TRP A 17 7.055 3.077 20.783 1.00 61.14 H new ATOM 0 HB2 TRP A 17 8.655 2.695 18.853 1.00 31.45 H new ATOM 0 HB3 TRP A 17 7.307 2.075 17.920 1.00 31.45 H new ATOM 0 HD1 TRP A 17 5.965 3.840 16.559 1.00 63.14 H new ATOM 0 HE1 TRP A 17 5.825 6.421 16.479 1.00 1.34 H new ATOM 0 HE3 TRP A 17 8.885 4.874 20.623 1.00 30.14 H new ATOM 0 HZ2 TRP A 17 6.840 8.574 17.979 1.00 63.04 H new ATOM 0 HZ3 TRP A 17 9.257 7.229 21.242 1.00 60.21 H new ATOM 0 HH2 TRP A 17 8.246 9.053 19.936 1.00 1.53 H new ATOM 275 N ALA A 18 4.937 1.021 19.381 1.00 1.31 N ATOM 276 CA ALA A 18 3.522 0.778 19.129 1.00 1.42 C ATOM 277 C ALA A 18 2.741 0.683 20.435 1.00 34.01 C ATOM 278 O ALA A 18 1.818 1.463 20.677 1.00 23.11 O ATOM 279 CB ALA A 18 3.342 -0.491 18.310 1.00 22.22 C ATOM 0 H ALA A 18 5.539 0.212 19.224 1.00 1.31 H new ATOM 0 HA ALA A 18 3.129 1.622 18.562 1.00 1.42 H new ATOM 0 HB1 ALA A 18 2.280 -0.660 18.129 1.00 22.22 H new ATOM 0 HB2 ALA A 18 3.860 -0.385 17.357 1.00 22.22 H new ATOM 0 HB3 ALA A 18 3.757 -1.338 18.856 1.00 22.22 H new ATOM 285 N LEU A 19 3.114 -0.277 21.274 1.00 72.34 N ATOM 286 CA LEU A 19 2.447 -0.475 22.556 1.00 71.32 C ATOM 287 C LEU A 19 2.374 0.831 23.339 1.00 2.43 C ATOM 288 O LEU A 19 1.467 1.033 24.147 1.00 64.20 O ATOM 289 CB LEU A 19 3.183 -1.535 23.377 1.00 34.53 C ATOM 290 CG LEU A 19 4.538 -1.120 23.950 1.00 11.52 C ATOM 291 CD1 LEU A 19 4.353 -0.319 25.230 1.00 45.21 C ATOM 292 CD2 LEU A 19 5.407 -2.342 24.205 1.00 64.25 C ATOM 0 H LEU A 19 3.875 -0.931 21.089 1.00 72.34 H new ATOM 0 HA LEU A 19 1.431 -0.817 22.360 1.00 71.32 H new ATOM 0 HB2 LEU A 19 2.539 -1.837 24.203 1.00 34.53 H new ATOM 0 HB3 LEU A 19 3.330 -2.414 22.749 1.00 34.53 H new ATOM 0 HG LEU A 19 5.042 -0.488 23.219 1.00 11.52 H new ATOM 0 HD11 LEU A 19 5.328 -0.032 25.624 1.00 45.21 H new ATOM 0 HD12 LEU A 19 3.770 0.577 25.017 1.00 45.21 H new ATOM 0 HD13 LEU A 19 3.829 -0.927 25.967 1.00 45.21 H new ATOM 0 HD21 LEU A 19 6.367 -2.027 24.613 1.00 64.25 H new ATOM 0 HD22 LEU A 19 4.909 -3.000 24.917 1.00 64.25 H new ATOM 0 HD23 LEU A 19 5.568 -2.876 23.268 1.00 64.25 H new ATOM 304 N SER A 20 3.334 1.717 23.093 1.00 2.22 N ATOM 305 CA SER A 20 3.380 3.004 23.777 1.00 50.53 C ATOM 306 C SER A 20 2.533 4.040 23.043 1.00 72.40 C ATOM 307 O SER A 20 2.160 5.067 23.609 1.00 11.14 O ATOM 308 CB SER A 20 4.824 3.496 23.887 1.00 45.33 C ATOM 309 OG SER A 20 4.974 4.402 24.966 1.00 50.30 O ATOM 0 H SER A 20 4.090 1.567 22.425 1.00 2.22 H new ATOM 0 HA SER A 20 2.972 2.870 24.779 1.00 50.53 H new ATOM 0 HB2 SER A 20 5.491 2.646 24.027 1.00 45.33 H new ATOM 0 HB3 SER A 20 5.118 3.982 22.957 1.00 45.33 H new ATOM 0 HG SER A 20 5.906 4.700 25.015 1.00 50.30 H new ATOM 315 N ASP A 21 2.233 3.761 21.779 1.00 31.33 N ATOM 316 CA ASP A 21 1.429 4.666 20.967 1.00 51.15 C ATOM 317 C ASP A 21 0.011 4.777 21.518 1.00 73.34 C ATOM 318 O ASP A 21 -0.628 5.824 21.411 1.00 54.32 O ATOM 319 CB ASP A 21 1.389 4.184 19.516 1.00 43.25 C ATOM 320 CG ASP A 21 1.847 5.250 18.539 1.00 75.21 C ATOM 321 OD1 ASP A 21 1.359 6.395 18.639 1.00 54.33 O ATOM 322 OD2 ASP A 21 2.693 4.939 17.675 1.00 30.33 O ATOM 0 H ASP A 21 2.535 2.915 21.295 1.00 31.33 H new ATOM 0 HA ASP A 21 1.891 5.653 21.002 1.00 51.15 H new ATOM 0 HB2 ASP A 21 2.022 3.303 19.411 1.00 43.25 H new ATOM 0 HB3 ASP A 21 0.373 3.878 19.266 1.00 43.25 H new ATOM 327 N LEU A 22 -0.476 3.690 22.106 1.00 32.20 N ATOM 328 CA LEU A 22 -1.820 3.664 22.673 1.00 21.34 C ATOM 329 C LEU A 22 -1.809 4.145 24.121 1.00 53.33 C ATOM 330 O LEU A 22 -0.769 4.144 24.777 1.00 24.22 O ATOM 331 CB LEU A 22 -2.399 2.250 22.599 1.00 71.13 C ATOM 332 CG LEU A 22 -1.450 1.115 22.985 1.00 73.42 C ATOM 333 CD1 LEU A 22 -2.189 0.049 23.780 1.00 63.03 C ATOM 334 CD2 LEU A 22 -0.810 0.509 21.744 1.00 12.30 C ATOM 0 H LEU A 22 0.039 2.815 22.203 1.00 32.20 H new ATOM 0 HA LEU A 22 -2.447 4.338 22.089 1.00 21.34 H new ATOM 0 HB2 LEU A 22 -3.273 2.203 23.248 1.00 71.13 H new ATOM 0 HB3 LEU A 22 -2.748 2.075 21.581 1.00 71.13 H new ATOM 0 HG LEU A 22 -0.660 1.526 23.613 1.00 73.42 H new ATOM 0 HD11 LEU A 22 -1.498 -0.751 24.046 1.00 63.03 H new ATOM 0 HD12 LEU A 22 -2.599 0.491 24.688 1.00 63.03 H new ATOM 0 HD13 LEU A 22 -3.000 -0.358 23.176 1.00 63.03 H new ATOM 0 HD21 LEU A 22 -0.138 -0.297 22.038 1.00 12.30 H new ATOM 0 HD22 LEU A 22 -1.587 0.113 21.090 1.00 12.30 H new ATOM 0 HD23 LEU A 22 -0.246 1.276 21.214 1.00 12.30 H new ATOM 346 N GLU A 23 -2.975 4.555 24.611 1.00 20.34 N ATOM 347 CA GLU A 23 -3.099 5.037 25.982 1.00 41.42 C ATOM 348 C GLU A 23 -3.004 3.883 26.976 1.00 41.52 C ATOM 349 O GLU A 23 -3.071 2.716 26.594 1.00 32.42 O ATOM 350 CB GLU A 23 -4.425 5.777 26.168 1.00 55.05 C ATOM 351 CG GLU A 23 -4.451 7.152 25.521 1.00 35.12 C ATOM 352 CD GLU A 23 -4.986 8.224 26.451 1.00 25.24 C ATOM 353 OE1 GLU A 23 -6.067 8.013 27.039 1.00 31.04 O ATOM 354 OE2 GLU A 23 -4.323 9.273 26.591 1.00 21.22 O ATOM 0 H GLU A 23 -3.846 4.563 24.080 1.00 20.34 H new ATOM 0 HA GLU A 23 -2.277 5.726 26.173 1.00 41.42 H new ATOM 0 HB2 GLU A 23 -5.230 5.173 25.750 1.00 55.05 H new ATOM 0 HB3 GLU A 23 -4.626 5.883 27.234 1.00 55.05 H new ATOM 0 HG2 GLU A 23 -3.443 7.420 25.205 1.00 35.12 H new ATOM 0 HG3 GLU A 23 -5.067 7.115 24.623 1.00 35.12 H new ATOM 361 N GLU A 24 -2.846 4.221 28.252 1.00 34.20 N ATOM 362 CA GLU A 24 -2.741 3.213 29.300 1.00 24.14 C ATOM 363 C GLU A 24 -4.075 2.503 29.510 1.00 53.33 C ATOM 364 O GLU A 24 -4.116 1.312 29.813 1.00 22.12 O ATOM 365 CB GLU A 24 -2.281 3.855 30.611 1.00 24.41 C ATOM 366 CG GLU A 24 -2.097 2.859 31.745 1.00 51.45 C ATOM 367 CD GLU A 24 -3.385 2.590 32.498 1.00 21.14 C ATOM 368 OE1 GLU A 24 -4.400 3.252 32.196 1.00 24.13 O ATOM 369 OE2 GLU A 24 -3.377 1.716 33.391 1.00 54.22 O ATOM 0 H GLU A 24 -2.788 5.184 28.584 1.00 34.20 H new ATOM 0 HA GLU A 24 -2.003 2.475 28.985 1.00 24.14 H new ATOM 0 HB2 GLU A 24 -1.339 4.376 30.440 1.00 24.41 H new ATOM 0 HB3 GLU A 24 -3.010 4.606 30.913 1.00 24.41 H new ATOM 0 HG2 GLU A 24 -1.713 1.922 31.342 1.00 51.45 H new ATOM 0 HG3 GLU A 24 -1.347 3.238 32.439 1.00 51.45 H new ATOM 376 N ASN A 25 -5.165 3.246 29.346 1.00 75.34 N ATOM 377 CA ASN A 25 -6.502 2.689 29.517 1.00 33.25 C ATOM 378 C ASN A 25 -6.868 1.782 28.347 1.00 74.43 C ATOM 379 O ASN A 25 -7.979 1.255 28.280 1.00 72.11 O ATOM 380 CB ASN A 25 -7.533 3.812 29.648 1.00 4.41 C ATOM 381 CG ASN A 25 -7.923 4.398 28.305 1.00 71.23 C ATOM 382 OD1 ASN A 25 -8.867 3.935 27.664 1.00 30.22 O ATOM 383 ND2 ASN A 25 -7.196 5.421 27.872 1.00 52.23 N ATOM 0 H ASN A 25 -5.149 4.235 29.095 1.00 75.34 H new ATOM 0 HA ASN A 25 -6.505 2.094 30.430 1.00 33.25 H new ATOM 0 HB2 ASN A 25 -8.423 3.428 30.146 1.00 4.41 H new ATOM 0 HB3 ASN A 25 -7.128 4.601 30.282 1.00 4.41 H new ATOM 0 HD21 ASN A 25 -7.411 5.856 26.975 1.00 52.23 H new ATOM 0 HD22 ASN A 25 -6.422 5.772 28.437 1.00 52.23 H new ATOM 390 N ASP A 26 -5.927 1.604 27.427 1.00 61.44 N ATOM 391 CA ASP A 26 -6.149 0.759 26.259 1.00 60.21 C ATOM 392 C ASP A 26 -5.295 -0.503 26.331 1.00 33.40 C ATOM 393 O ASP A 26 -5.811 -1.619 26.259 1.00 62.12 O ATOM 394 CB ASP A 26 -5.833 1.531 24.977 1.00 61.31 C ATOM 395 CG ASP A 26 -6.806 2.667 24.730 1.00 21.23 C ATOM 396 OD1 ASP A 26 -7.046 3.456 25.668 1.00 62.13 O ATOM 397 OD2 ASP A 26 -7.328 2.766 23.600 1.00 12.41 O ATOM 0 H ASP A 26 -5.003 2.034 27.467 1.00 61.44 H new ATOM 0 HA ASP A 26 -7.199 0.466 26.248 1.00 60.21 H new ATOM 0 HB2 ASP A 26 -4.821 1.930 25.037 1.00 61.31 H new ATOM 0 HB3 ASP A 26 -5.856 0.846 24.129 1.00 61.31 H new ATOM 402 N PHE A 27 -3.987 -0.319 26.473 1.00 62.21 N ATOM 403 CA PHE A 27 -3.061 -1.443 26.553 1.00 41.03 C ATOM 404 C PHE A 27 -3.393 -2.338 27.743 1.00 72.11 C ATOM 405 O PHE A 27 -3.274 -3.561 27.667 1.00 20.24 O ATOM 406 CB PHE A 27 -1.621 -0.938 26.666 1.00 11.33 C ATOM 407 CG PHE A 27 -0.927 -1.384 27.921 1.00 3.43 C ATOM 408 CD1 PHE A 27 -1.030 -0.642 29.087 1.00 42.51 C ATOM 409 CD2 PHE A 27 -0.171 -2.545 27.936 1.00 73.14 C ATOM 410 CE1 PHE A 27 -0.391 -1.049 30.243 1.00 71.33 C ATOM 411 CE2 PHE A 27 0.469 -2.958 29.089 1.00 63.13 C ATOM 412 CZ PHE A 27 0.358 -2.210 30.244 1.00 3.50 C ATOM 0 H PHE A 27 -3.544 0.598 26.535 1.00 62.21 H new ATOM 0 HA PHE A 27 -3.162 -2.030 25.640 1.00 41.03 H new ATOM 0 HB2 PHE A 27 -1.053 -1.286 25.803 1.00 11.33 H new ATOM 0 HB3 PHE A 27 -1.622 0.151 26.628 1.00 11.33 H new ATOM 0 HD1 PHE A 27 -1.616 0.265 29.092 1.00 42.51 H new ATOM 0 HD2 PHE A 27 -0.081 -3.134 27.036 1.00 73.14 H new ATOM 0 HE1 PHE A 27 -0.477 -0.460 31.144 1.00 71.33 H new ATOM 0 HE2 PHE A 27 1.055 -3.865 29.087 1.00 63.13 H new ATOM 0 HZ PHE A 27 0.856 -2.532 31.147 1.00 3.50 H new ATOM 422 N LYS A 28 -3.810 -1.720 28.842 1.00 13.54 N ATOM 423 CA LYS A 28 -4.161 -2.458 30.050 1.00 50.32 C ATOM 424 C LYS A 28 -5.380 -3.344 29.811 1.00 5.32 C ATOM 425 O LYS A 28 -5.396 -4.512 30.199 1.00 32.11 O ATOM 426 CB LYS A 28 -4.439 -1.489 31.202 1.00 71.33 C ATOM 427 CG LYS A 28 -5.233 -2.109 32.339 1.00 53.43 C ATOM 428 CD LYS A 28 -5.571 -1.082 33.407 1.00 60.01 C ATOM 429 CE LYS A 28 -6.761 -1.522 34.246 1.00 4.14 C ATOM 430 NZ LYS A 28 -8.046 -1.005 33.700 1.00 32.51 N ATOM 0 H LYS A 28 -3.913 -0.708 28.922 1.00 13.54 H new ATOM 0 HA LYS A 28 -3.317 -3.095 30.315 1.00 50.32 H new ATOM 0 HB2 LYS A 28 -3.491 -1.119 31.592 1.00 71.33 H new ATOM 0 HB3 LYS A 28 -4.984 -0.627 30.817 1.00 71.33 H new ATOM 0 HG2 LYS A 28 -6.152 -2.544 31.947 1.00 53.43 H new ATOM 0 HG3 LYS A 28 -4.660 -2.922 32.783 1.00 53.43 H new ATOM 0 HD2 LYS A 28 -4.706 -0.929 34.052 1.00 60.01 H new ATOM 0 HD3 LYS A 28 -5.791 -0.124 32.936 1.00 60.01 H new ATOM 0 HE2 LYS A 28 -6.795 -2.611 34.285 1.00 4.14 H new ATOM 0 HE3 LYS A 28 -6.634 -1.170 35.270 1.00 4.14 H new ATOM 0 HZ1 LYS A 28 -8.832 -1.327 34.300 1.00 32.51 H new ATOM 0 HZ2 LYS A 28 -8.024 0.035 33.686 1.00 32.51 H new ATOM 0 HZ3 LYS A 28 -8.180 -1.361 32.732 1.00 32.51 H new ATOM 444 N LYS A 29 -6.398 -2.781 29.169 1.00 21.14 N ATOM 445 CA LYS A 29 -7.620 -3.520 28.876 1.00 71.01 C ATOM 446 C LYS A 29 -7.308 -4.813 28.130 1.00 71.25 C ATOM 447 O LYS A 29 -7.921 -5.851 28.382 1.00 34.20 O ATOM 448 CB LYS A 29 -8.575 -2.658 28.047 1.00 31.01 C ATOM 449 CG LYS A 29 -9.763 -2.135 28.836 1.00 22.24 C ATOM 450 CD LYS A 29 -9.318 -1.338 30.051 1.00 41.11 C ATOM 451 CE LYS A 29 -10.419 -0.410 30.543 1.00 65.34 C ATOM 452 NZ LYS A 29 -10.779 0.613 29.522 1.00 21.50 N ATOM 0 H LYS A 29 -6.401 -1.815 28.842 1.00 21.14 H new ATOM 0 HA LYS A 29 -8.098 -3.774 29.822 1.00 71.01 H new ATOM 0 HB2 LYS A 29 -8.023 -1.813 27.635 1.00 31.01 H new ATOM 0 HB3 LYS A 29 -8.939 -3.243 27.203 1.00 31.01 H new ATOM 0 HG2 LYS A 29 -10.380 -1.507 28.193 1.00 22.24 H new ATOM 0 HG3 LYS A 29 -10.385 -2.971 29.156 1.00 22.24 H new ATOM 0 HD2 LYS A 29 -9.032 -2.021 30.851 1.00 41.11 H new ATOM 0 HD3 LYS A 29 -8.433 -0.753 29.800 1.00 41.11 H new ATOM 0 HE2 LYS A 29 -11.302 -0.997 30.797 1.00 65.34 H new ATOM 0 HE3 LYS A 29 -10.094 0.087 31.457 1.00 65.34 H new ATOM 0 HZ1 LYS A 29 -11.168 1.454 29.995 1.00 21.50 H new ATOM 0 HZ2 LYS A 29 -9.930 0.880 28.984 1.00 21.50 H new ATOM 0 HZ3 LYS A 29 -11.491 0.220 28.873 1.00 21.50 H new ATOM 466 N LEU A 30 -6.351 -4.744 27.211 1.00 21.50 N ATOM 467 CA LEU A 30 -5.956 -5.911 26.429 1.00 51.24 C ATOM 468 C LEU A 30 -5.183 -6.906 27.288 1.00 61.35 C ATOM 469 O LEU A 30 -5.545 -8.080 27.375 1.00 2.23 O ATOM 470 CB LEU A 30 -5.104 -5.482 25.232 1.00 34.44 C ATOM 471 CG LEU A 30 -5.307 -4.048 24.744 1.00 43.32 C ATOM 472 CD1 LEU A 30 -4.443 -3.773 23.522 1.00 35.12 C ATOM 473 CD2 LEU A 30 -6.774 -3.793 24.431 1.00 41.24 C ATOM 0 H LEU A 30 -5.834 -3.893 26.989 1.00 21.50 H new ATOM 0 HA LEU A 30 -6.861 -6.399 26.067 1.00 51.24 H new ATOM 0 HB2 LEU A 30 -4.054 -5.610 25.494 1.00 34.44 H new ATOM 0 HB3 LEU A 30 -5.310 -6.159 24.403 1.00 34.44 H new ATOM 0 HG LEU A 30 -5.003 -3.367 25.539 1.00 43.32 H new ATOM 0 HD11 LEU A 30 -4.601 -2.747 23.188 1.00 35.12 H new ATOM 0 HD12 LEU A 30 -3.393 -3.914 23.780 1.00 35.12 H new ATOM 0 HD13 LEU A 30 -4.715 -4.461 22.722 1.00 35.12 H new ATOM 0 HD21 LEU A 30 -6.899 -2.767 24.085 1.00 41.24 H new ATOM 0 HD22 LEU A 30 -7.105 -4.481 23.653 1.00 41.24 H new ATOM 0 HD23 LEU A 30 -7.370 -3.948 25.330 1.00 41.24 H new ATOM 485 N LYS A 31 -4.117 -6.430 27.922 1.00 50.22 N ATOM 486 CA LYS A 31 -3.294 -7.276 28.777 1.00 5.24 C ATOM 487 C LYS A 31 -4.132 -7.914 29.881 1.00 42.25 C ATOM 488 O LYS A 31 -3.802 -8.989 30.382 1.00 45.31 O ATOM 489 CB LYS A 31 -2.156 -6.459 29.394 1.00 10.14 C ATOM 490 CG LYS A 31 -1.183 -5.900 28.370 1.00 35.12 C ATOM 491 CD LYS A 31 -0.581 -7.002 27.515 1.00 44.23 C ATOM 492 CE LYS A 31 0.574 -6.484 26.671 1.00 1.42 C ATOM 493 NZ LYS A 31 0.126 -5.459 25.687 1.00 23.51 N ATOM 0 H LYS A 31 -3.803 -5.462 27.860 1.00 50.22 H new ATOM 0 HA LYS A 31 -2.871 -8.070 28.161 1.00 5.24 H new ATOM 0 HB2 LYS A 31 -2.581 -5.635 29.967 1.00 10.14 H new ATOM 0 HB3 LYS A 31 -1.609 -7.087 30.097 1.00 10.14 H new ATOM 0 HG2 LYS A 31 -1.698 -5.182 27.731 1.00 35.12 H new ATOM 0 HG3 LYS A 31 -0.387 -5.358 28.881 1.00 35.12 H new ATOM 0 HD2 LYS A 31 -0.231 -7.811 28.156 1.00 44.23 H new ATOM 0 HD3 LYS A 31 -1.349 -7.420 26.865 1.00 44.23 H new ATOM 0 HE2 LYS A 31 1.335 -6.054 27.322 1.00 1.42 H new ATOM 0 HE3 LYS A 31 1.039 -7.316 26.142 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 0.943 -4.895 25.377 1.00 23.51 H new ATOM 0 HZ2 LYS A 31 -0.301 -5.931 24.865 1.00 23.51 H new ATOM 0 HZ3 LYS A 31 -0.577 -4.835 26.132 1.00 23.51 H new ATOM 507 N PHE A 32 -5.218 -7.246 30.253 1.00 13.43 N ATOM 508 CA PHE A 32 -6.104 -7.748 31.297 1.00 53.01 C ATOM 509 C PHE A 32 -6.798 -9.031 30.850 1.00 30.50 C ATOM 510 O PHE A 32 -6.856 -10.010 31.595 1.00 72.33 O ATOM 511 CB PHE A 32 -7.149 -6.691 31.661 1.00 4.34 C ATOM 512 CG PHE A 32 -8.161 -7.168 32.663 1.00 25.24 C ATOM 513 CD1 PHE A 32 -7.762 -7.865 33.793 1.00 45.42 C ATOM 514 CD2 PHE A 32 -9.511 -6.921 32.476 1.00 41.04 C ATOM 515 CE1 PHE A 32 -8.690 -8.305 34.717 1.00 31.11 C ATOM 516 CE2 PHE A 32 -10.444 -7.359 33.397 1.00 41.54 C ATOM 517 CZ PHE A 32 -10.033 -8.052 34.518 1.00 32.50 C ATOM 0 H PHE A 32 -5.506 -6.356 29.847 1.00 13.43 H new ATOM 0 HA PHE A 32 -5.499 -7.969 32.176 1.00 53.01 H new ATOM 0 HB2 PHE A 32 -6.642 -5.812 32.059 1.00 4.34 H new ATOM 0 HB3 PHE A 32 -7.667 -6.377 30.755 1.00 4.34 H new ATOM 0 HD1 PHE A 32 -6.713 -8.066 33.953 1.00 45.42 H new ATOM 0 HD2 PHE A 32 -9.838 -6.380 31.601 1.00 41.04 H new ATOM 0 HE1 PHE A 32 -8.366 -8.846 35.594 1.00 31.11 H new ATOM 0 HE2 PHE A 32 -11.494 -7.159 33.240 1.00 41.54 H new ATOM 0 HZ PHE A 32 -10.761 -8.396 35.238 1.00 32.50 H new ATOM 527 N TYR A 33 -7.323 -9.019 29.630 1.00 51.10 N ATOM 528 CA TYR A 33 -8.016 -10.180 29.084 1.00 42.10 C ATOM 529 C TYR A 33 -7.079 -11.016 28.217 1.00 3.34 C ATOM 530 O TYR A 33 -6.906 -12.214 28.446 1.00 45.32 O ATOM 531 CB TYR A 33 -9.228 -9.737 28.263 1.00 33.33 C ATOM 532 CG TYR A 33 -10.309 -10.790 28.164 1.00 60.15 C ATOM 533 CD1 TYR A 33 -10.900 -11.318 29.305 1.00 41.12 C ATOM 534 CD2 TYR A 33 -10.740 -11.256 26.927 1.00 22.34 C ATOM 535 CE1 TYR A 33 -11.887 -12.280 29.218 1.00 21.51 C ATOM 536 CE2 TYR A 33 -11.727 -12.218 26.831 1.00 13.42 C ATOM 537 CZ TYR A 33 -12.297 -12.727 27.979 1.00 14.13 C ATOM 538 OH TYR A 33 -13.281 -13.685 27.889 1.00 53.43 O ATOM 0 H TYR A 33 -7.282 -8.218 29.000 1.00 51.10 H new ATOM 0 HA TYR A 33 -8.355 -10.794 29.918 1.00 42.10 H new ATOM 0 HB2 TYR A 33 -9.649 -8.836 28.709 1.00 33.33 H new ATOM 0 HB3 TYR A 33 -8.899 -9.471 27.259 1.00 33.33 H new ATOM 0 HD1 TYR A 33 -10.582 -10.970 30.277 1.00 41.12 H new ATOM 0 HD2 TYR A 33 -10.296 -10.859 26.026 1.00 22.34 H new ATOM 0 HE1 TYR A 33 -12.336 -12.680 30.115 1.00 21.51 H new ATOM 0 HE2 TYR A 33 -12.050 -12.569 25.862 1.00 13.42 H new ATOM 0 HH TYR A 33 -13.454 -13.889 26.946 1.00 53.43 H new ATOM 548 N LEU A 34 -6.476 -10.375 27.222 1.00 24.11 N ATOM 549 CA LEU A 34 -5.554 -11.057 26.320 1.00 75.51 C ATOM 550 C LEU A 34 -4.472 -11.795 27.102 1.00 11.50 C ATOM 551 O LEU A 34 -4.325 -13.011 26.982 1.00 12.02 O ATOM 552 CB LEU A 34 -4.912 -10.054 25.360 1.00 35.22 C ATOM 553 CG LEU A 34 -5.744 -9.670 24.135 1.00 23.55 C ATOM 554 CD1 LEU A 34 -5.827 -10.835 23.160 1.00 5.45 C ATOM 555 CD2 LEU A 34 -7.137 -9.224 24.555 1.00 44.40 C ATOM 0 H LEU A 34 -6.609 -9.384 27.019 1.00 24.11 H new ATOM 0 HA LEU A 34 -6.122 -11.788 25.745 1.00 75.51 H new ATOM 0 HB2 LEU A 34 -4.681 -9.146 25.916 1.00 35.22 H new ATOM 0 HB3 LEU A 34 -3.964 -10.467 25.015 1.00 35.22 H new ATOM 0 HG LEU A 34 -5.253 -8.836 23.633 1.00 23.55 H new ATOM 0 HD11 LEU A 34 -6.423 -10.544 22.295 1.00 5.45 H new ATOM 0 HD12 LEU A 34 -4.824 -11.109 22.834 1.00 5.45 H new ATOM 0 HD13 LEU A 34 -6.294 -11.688 23.652 1.00 5.45 H new ATOM 0 HD21 LEU A 34 -7.715 -8.955 23.671 1.00 44.40 H new ATOM 0 HD22 LEU A 34 -7.636 -10.038 25.081 1.00 44.40 H new ATOM 0 HD23 LEU A 34 -7.059 -8.360 25.215 1.00 44.40 H new ATOM 567 N ARG A 35 -3.718 -11.050 27.904 1.00 11.02 N ATOM 568 CA ARG A 35 -2.650 -11.633 28.707 1.00 1.00 C ATOM 569 C ARG A 35 -3.209 -12.641 29.706 1.00 32.34 C ATOM 570 O ARG A 35 -2.591 -13.671 29.976 1.00 72.41 O ATOM 571 CB ARG A 35 -1.883 -10.536 29.448 1.00 32.01 C ATOM 572 CG ARG A 35 -0.373 -10.660 29.327 1.00 72.20 C ATOM 573 CD ARG A 35 0.286 -10.791 30.691 1.00 62.20 C ATOM 574 NE ARG A 35 -0.182 -9.771 31.625 1.00 4.13 N ATOM 575 CZ ARG A 35 -0.201 -9.935 32.943 1.00 13.03 C ATOM 576 NH1 ARG A 35 0.219 -11.073 33.479 1.00 14.45 N ATOM 577 NH2 ARG A 35 -0.641 -8.960 33.728 1.00 13.41 N ATOM 0 H ARG A 35 -3.827 -10.042 28.015 1.00 11.02 H new ATOM 0 HA ARG A 35 -1.968 -12.154 28.035 1.00 1.00 H new ATOM 0 HB2 ARG A 35 -2.191 -9.565 29.062 1.00 32.01 H new ATOM 0 HB3 ARG A 35 -2.158 -10.561 30.503 1.00 32.01 H new ATOM 0 HG2 ARG A 35 -0.126 -11.529 28.717 1.00 72.20 H new ATOM 0 HG3 ARG A 35 0.025 -9.786 28.812 1.00 72.20 H new ATOM 0 HD2 ARG A 35 0.079 -11.780 31.100 1.00 62.20 H new ATOM 0 HD3 ARG A 35 1.367 -10.712 30.580 1.00 62.20 H new ATOM 0 HE ARG A 35 -0.512 -8.884 31.245 1.00 4.13 H new ATOM 0 HH11 ARG A 35 0.558 -11.825 32.879 1.00 14.45 H new ATOM 0 HH12 ARG A 35 0.203 -11.196 34.491 1.00 14.45 H new ATOM 0 HH21 ARG A 35 -0.965 -8.083 33.320 1.00 13.41 H new ATOM 0 HH22 ARG A 35 -0.655 -9.087 34.740 1.00 13.41 H new ATOM 591 N ASP A 36 -4.381 -12.337 30.253 1.00 73.14 N ATOM 592 CA ASP A 36 -5.025 -13.217 31.222 1.00 44.33 C ATOM 593 C ASP A 36 -5.103 -14.645 30.691 1.00 13.31 C ATOM 594 O ASP A 36 -4.704 -15.592 31.368 1.00 3.41 O ATOM 595 CB ASP A 36 -6.427 -12.705 31.555 1.00 60.04 C ATOM 596 CG ASP A 36 -7.397 -13.830 31.858 1.00 23.14 C ATOM 597 OD1 ASP A 36 -7.079 -14.668 32.727 1.00 23.53 O ATOM 598 OD2 ASP A 36 -8.473 -13.873 31.227 1.00 53.35 O ATOM 0 H ASP A 36 -4.905 -11.488 30.042 1.00 73.14 H new ATOM 0 HA ASP A 36 -4.423 -13.219 32.131 1.00 44.33 H new ATOM 0 HB2 ASP A 36 -6.372 -12.036 32.413 1.00 60.04 H new ATOM 0 HB3 ASP A 36 -6.805 -12.119 30.717 1.00 60.04 H new ATOM 603 N MET A 37 -5.622 -14.791 29.476 1.00 30.54 N ATOM 604 CA MET A 37 -5.753 -16.104 28.855 1.00 20.42 C ATOM 605 C MET A 37 -4.489 -16.469 28.083 1.00 52.34 C ATOM 606 O MET A 37 -3.776 -17.405 28.444 1.00 23.13 O ATOM 607 CB MET A 37 -6.963 -16.131 27.919 1.00 44.11 C ATOM 608 CG MET A 37 -8.122 -16.959 28.448 1.00 73.23 C ATOM 609 SD MET A 37 -9.695 -16.522 27.681 1.00 3.33 S ATOM 610 CE MET A 37 -10.342 -18.144 27.286 1.00 22.40 C ATOM 0 H MET A 37 -5.958 -14.017 28.903 1.00 30.54 H new ATOM 0 HA MET A 37 -5.899 -16.840 29.646 1.00 20.42 H new ATOM 0 HB2 MET A 37 -7.304 -15.110 27.750 1.00 44.11 H new ATOM 0 HB3 MET A 37 -6.655 -16.528 26.952 1.00 44.11 H new ATOM 0 HG2 MET A 37 -7.918 -18.015 28.273 1.00 73.23 H new ATOM 0 HG3 MET A 37 -8.198 -16.823 29.527 1.00 73.23 H new ATOM 0 HE1 MET A 37 -11.314 -18.040 26.805 1.00 22.40 H new ATOM 0 HE2 MET A 37 -9.655 -18.655 26.611 1.00 22.40 H new ATOM 0 HE3 MET A 37 -10.451 -18.725 28.202 1.00 22.40 H new ATOM 620 N THR A 38 -4.217 -15.723 27.016 1.00 31.20 N ATOM 621 CA THR A 38 -3.041 -15.969 26.192 1.00 45.22 C ATOM 622 C THR A 38 -1.801 -16.180 27.053 1.00 65.52 C ATOM 623 O THR A 38 -0.978 -17.053 26.771 1.00 31.11 O ATOM 624 CB THR A 38 -2.783 -14.803 25.219 1.00 40.23 C ATOM 625 OG1 THR A 38 -2.330 -13.653 25.941 1.00 10.43 O ATOM 626 CG2 THR A 38 -4.045 -14.456 24.443 1.00 31.33 C ATOM 0 H THR A 38 -4.796 -14.944 26.703 1.00 31.20 H new ATOM 0 HA THR A 38 -3.241 -16.874 25.619 1.00 45.22 H new ATOM 0 HB THR A 38 -2.014 -15.113 24.511 1.00 40.23 H new ATOM 0 HG1 THR A 38 -2.852 -13.558 26.765 1.00 10.43 H new ATOM 0 HG21 THR A 38 -3.838 -13.630 23.763 1.00 31.33 H new ATOM 0 HG22 THR A 38 -4.371 -15.325 23.871 1.00 31.33 H new ATOM 0 HG23 THR A 38 -4.831 -14.164 25.139 1.00 31.33 H new ATOM 634 N LEU A 39 -1.672 -15.378 28.104 1.00 43.05 N ATOM 635 CA LEU A 39 -0.531 -15.478 29.007 1.00 20.14 C ATOM 636 C LEU A 39 -0.979 -15.886 30.407 1.00 74.30 C ATOM 637 O LEU A 39 -2.165 -16.116 30.648 1.00 64.14 O ATOM 638 CB LEU A 39 0.216 -14.144 29.067 1.00 32.54 C ATOM 639 CG LEU A 39 1.191 -13.869 27.922 1.00 20.23 C ATOM 640 CD1 LEU A 39 0.441 -13.414 26.680 1.00 11.22 C ATOM 641 CD2 LEU A 39 2.221 -12.828 28.337 1.00 33.32 C ATOM 0 H LEU A 39 -2.343 -14.651 28.352 1.00 43.05 H new ATOM 0 HA LEU A 39 0.140 -16.246 28.622 1.00 20.14 H new ATOM 0 HB2 LEU A 39 -0.519 -13.340 29.093 1.00 32.54 H new ATOM 0 HB3 LEU A 39 0.768 -14.101 30.006 1.00 32.54 H new ATOM 0 HG LEU A 39 1.715 -14.795 27.686 1.00 20.23 H new ATOM 0 HD11 LEU A 39 1.151 -13.223 25.876 1.00 11.22 H new ATOM 0 HD12 LEU A 39 -0.257 -14.192 26.371 1.00 11.22 H new ATOM 0 HD13 LEU A 39 -0.110 -12.500 26.902 1.00 11.22 H new ATOM 0 HD21 LEU A 39 2.907 -12.645 27.510 1.00 33.32 H new ATOM 0 HD22 LEU A 39 1.714 -11.900 28.601 1.00 33.32 H new ATOM 0 HD23 LEU A 39 2.781 -13.193 29.198 1.00 33.32 H new ATOM 784 N GLY A 49 0.513 4.806 35.743 1.00 33.54 N ATOM 785 CA GLY A 49 1.931 5.078 35.604 1.00 64.33 C ATOM 786 C GLY A 49 2.691 3.907 35.012 1.00 31.23 C ATOM 787 O GLY A 49 3.898 3.991 34.791 1.00 24.31 O ATOM 0 HA2 GLY A 49 2.069 5.954 34.971 1.00 64.33 H new ATOM 0 HA3 GLY A 49 2.349 5.322 36.581 1.00 64.33 H new ATOM 791 N GLU A 50 1.982 2.811 34.757 1.00 11.54 N ATOM 792 CA GLU A 50 2.599 1.618 34.190 1.00 34.14 C ATOM 793 C GLU A 50 2.988 1.847 32.733 1.00 61.22 C ATOM 794 O GLU A 50 4.068 1.445 32.296 1.00 13.33 O ATOM 795 CB GLU A 50 1.645 0.426 34.294 1.00 71.13 C ATOM 796 CG GLU A 50 2.347 -0.893 34.573 1.00 15.53 C ATOM 797 CD GLU A 50 1.375 -2.023 34.853 1.00 11.41 C ATOM 798 OE1 GLU A 50 0.560 -2.338 33.961 1.00 62.24 O ATOM 799 OE2 GLU A 50 1.429 -2.591 35.964 1.00 53.14 O ATOM 0 H GLU A 50 0.981 2.725 34.934 1.00 11.54 H new ATOM 0 HA GLU A 50 3.503 1.402 34.759 1.00 34.14 H new ATOM 0 HB2 GLU A 50 0.922 0.618 35.087 1.00 71.13 H new ATOM 0 HB3 GLU A 50 1.083 0.339 33.364 1.00 71.13 H new ATOM 0 HG2 GLU A 50 2.969 -1.157 33.718 1.00 15.53 H new ATOM 0 HG3 GLU A 50 3.014 -0.772 35.427 1.00 15.53 H new ATOM 806 N LEU A 51 2.102 2.494 31.985 1.00 54.14 N ATOM 807 CA LEU A 51 2.351 2.777 30.575 1.00 21.23 C ATOM 808 C LEU A 51 2.968 4.160 30.398 1.00 1.54 C ATOM 809 O LEU A 51 4.013 4.308 29.765 1.00 31.25 O ATOM 810 CB LEU A 51 1.050 2.680 29.777 1.00 14.44 C ATOM 811 CG LEU A 51 1.120 3.140 28.321 1.00 54.42 C ATOM 812 CD1 LEU A 51 0.124 2.369 27.469 1.00 54.01 C ATOM 813 CD2 LEU A 51 0.863 4.637 28.221 1.00 31.02 C ATOM 0 H LEU A 51 1.204 2.833 32.331 1.00 54.14 H new ATOM 0 HA LEU A 51 3.056 2.035 30.200 1.00 21.23 H new ATOM 0 HB2 LEU A 51 0.713 1.643 29.794 1.00 14.44 H new ATOM 0 HB3 LEU A 51 0.289 3.271 30.287 1.00 14.44 H new ATOM 0 HG LEU A 51 2.123 2.938 27.944 1.00 54.42 H new ATOM 0 HD11 LEU A 51 0.188 2.710 26.436 1.00 54.01 H new ATOM 0 HD12 LEU A 51 0.354 1.304 27.515 1.00 54.01 H new ATOM 0 HD13 LEU A 51 -0.885 2.539 27.845 1.00 54.01 H new ATOM 0 HD21 LEU A 51 0.917 4.946 27.177 1.00 31.02 H new ATOM 0 HD22 LEU A 51 -0.127 4.863 28.616 1.00 31.02 H new ATOM 0 HD23 LEU A 51 1.615 5.175 28.798 1.00 31.02 H new ATOM 825 N GLU A 52 2.315 5.171 30.964 1.00 31.20 N ATOM 826 CA GLU A 52 2.801 6.542 30.869 1.00 0.33 C ATOM 827 C GLU A 52 4.022 6.750 31.761 1.00 34.25 C ATOM 828 O GLU A 52 5.074 7.190 31.300 1.00 15.43 O ATOM 829 CB GLU A 52 1.697 7.527 31.260 1.00 33.43 C ATOM 830 CG GLU A 52 2.110 8.984 31.142 1.00 23.24 C ATOM 831 CD GLU A 52 2.703 9.314 29.786 1.00 2.14 C ATOM 832 OE1 GLU A 52 1.952 9.287 28.789 1.00 40.52 O ATOM 833 OE2 GLU A 52 3.917 9.599 29.722 1.00 22.33 O ATOM 0 H GLU A 52 1.449 5.066 31.492 1.00 31.20 H new ATOM 0 HA GLU A 52 3.092 6.726 29.835 1.00 0.33 H new ATOM 0 HB2 GLU A 52 0.826 7.353 30.628 1.00 33.43 H new ATOM 0 HB3 GLU A 52 1.391 7.327 32.287 1.00 33.43 H new ATOM 0 HG2 GLU A 52 1.242 9.619 31.319 1.00 23.24 H new ATOM 0 HG3 GLU A 52 2.838 9.215 31.919 1.00 23.24 H new ATOM 840 N GLY A 53 3.872 6.429 33.043 1.00 30.02 N ATOM 841 CA GLY A 53 4.969 6.587 33.980 1.00 14.44 C ATOM 842 C GLY A 53 6.223 5.864 33.532 1.00 3.52 C ATOM 843 O GLY A 53 7.276 6.480 33.362 1.00 5.21 O ATOM 0 H GLY A 53 3.011 6.063 33.449 1.00 30.02 H new ATOM 0 HA2 GLY A 53 5.189 7.648 34.102 1.00 14.44 H new ATOM 0 HA3 GLY A 53 4.666 6.210 34.957 1.00 14.44 H new ATOM 847 N LEU A 54 6.113 4.554 33.342 1.00 42.42 N ATOM 848 CA LEU A 54 7.249 3.746 32.912 1.00 34.40 C ATOM 849 C LEU A 54 7.481 3.887 31.411 1.00 34.41 C ATOM 850 O LEU A 54 6.921 4.775 30.767 1.00 22.15 O ATOM 851 CB LEU A 54 7.017 2.276 33.268 1.00 1.11 C ATOM 852 CG LEU A 54 6.553 1.997 34.698 1.00 24.02 C ATOM 853 CD1 LEU A 54 6.385 0.502 34.923 1.00 40.34 C ATOM 854 CD2 LEU A 54 7.537 2.581 35.701 1.00 2.34 C ATOM 0 H LEU A 54 5.249 4.029 33.479 1.00 42.42 H new ATOM 0 HA LEU A 54 8.137 4.105 33.433 1.00 34.40 H new ATOM 0 HB2 LEU A 54 6.275 1.869 32.581 1.00 1.11 H new ATOM 0 HB3 LEU A 54 7.945 1.730 33.095 1.00 1.11 H new ATOM 0 HG LEU A 54 5.586 2.477 34.846 1.00 24.02 H new ATOM 0 HD11 LEU A 54 6.054 0.323 35.946 1.00 40.34 H new ATOM 0 HD12 LEU A 54 5.642 0.111 34.228 1.00 40.34 H new ATOM 0 HD13 LEU A 54 7.338 -0.000 34.756 1.00 40.34 H new ATOM 0 HD21 LEU A 54 7.191 2.373 36.713 1.00 2.34 H new ATOM 0 HD22 LEU A 54 8.518 2.130 35.553 1.00 2.34 H new ATOM 0 HD23 LEU A 54 7.608 3.659 35.556 1.00 2.34 H new ATOM 866 N ILE A 55 8.307 3.004 30.860 1.00 73.11 N ATOM 867 CA ILE A 55 8.609 3.028 29.434 1.00 4.32 C ATOM 868 C ILE A 55 8.287 1.689 28.781 1.00 71.32 C ATOM 869 O ILE A 55 8.194 0.654 29.441 1.00 24.14 O ATOM 870 CB ILE A 55 10.090 3.368 29.179 1.00 54.23 C ATOM 871 CG1 ILE A 55 10.997 2.376 29.909 1.00 12.14 C ATOM 872 CG2 ILE A 55 10.390 4.793 29.620 1.00 33.11 C ATOM 873 CD1 ILE A 55 11.283 2.762 31.344 1.00 42.34 C ATOM 0 H ILE A 55 8.779 2.263 31.379 1.00 73.11 H new ATOM 0 HA ILE A 55 7.984 3.804 28.992 1.00 4.32 H new ATOM 0 HB ILE A 55 10.286 3.291 28.110 1.00 54.23 H new ATOM 0 HG12 ILE A 55 10.532 1.390 29.892 1.00 12.14 H new ATOM 0 HG13 ILE A 55 11.940 2.293 29.369 1.00 12.14 H new ATOM 0 HG21 ILE A 55 11.440 5.018 29.433 1.00 33.11 H new ATOM 0 HG22 ILE A 55 9.765 5.487 29.058 1.00 33.11 H new ATOM 0 HG23 ILE A 55 10.180 4.896 30.685 1.00 33.11 H new ATOM 0 HD11 ILE A 55 11.932 2.014 31.800 1.00 42.34 H new ATOM 0 HD12 ILE A 55 11.777 3.733 31.368 1.00 42.34 H new ATOM 0 HD13 ILE A 55 10.347 2.817 31.899 1.00 42.34 H new ATOM 885 N PRO A 56 8.113 1.706 27.451 1.00 71.21 N ATOM 886 CA PRO A 56 7.801 0.500 26.678 1.00 54.01 C ATOM 887 C PRO A 56 8.978 -0.466 26.610 1.00 62.21 C ATOM 888 O PRO A 56 8.798 -1.684 26.648 1.00 5.50 O ATOM 889 CB PRO A 56 7.476 1.046 25.285 1.00 33.12 C ATOM 890 CG PRO A 56 8.209 2.340 25.205 1.00 12.31 C ATOM 891 CD PRO A 56 8.208 2.903 26.599 1.00 4.44 C ATOM 0 HA PRO A 56 6.989 -0.073 27.127 1.00 54.01 H new ATOM 0 HB2 PRO A 56 7.801 0.358 24.504 1.00 33.12 H new ATOM 0 HB3 PRO A 56 6.403 1.190 25.157 1.00 33.12 H new ATOM 0 HG2 PRO A 56 9.227 2.190 24.845 1.00 12.31 H new ATOM 0 HG3 PRO A 56 7.722 3.022 24.508 1.00 12.31 H new ATOM 0 HD2 PRO A 56 9.116 3.471 26.804 1.00 4.44 H new ATOM 0 HD3 PRO A 56 7.367 3.578 26.759 1.00 4.44 H new ATOM 899 N VAL A 57 10.184 0.084 26.509 1.00 22.25 N ATOM 900 CA VAL A 57 11.392 -0.730 26.438 1.00 40.31 C ATOM 901 C VAL A 57 11.618 -1.494 27.738 1.00 52.14 C ATOM 902 O VAL A 57 12.345 -2.487 27.768 1.00 43.43 O ATOM 903 CB VAL A 57 12.633 0.133 26.140 1.00 31.21 C ATOM 904 CG1 VAL A 57 13.879 -0.736 26.053 1.00 54.43 C ATOM 905 CG2 VAL A 57 12.435 0.926 24.857 1.00 34.22 C ATOM 0 H VAL A 57 10.351 1.090 26.475 1.00 22.25 H new ATOM 0 HA VAL A 57 11.248 -1.440 25.624 1.00 40.31 H new ATOM 0 HB VAL A 57 12.768 0.839 26.959 1.00 31.21 H new ATOM 0 HG11 VAL A 57 14.746 -0.109 25.842 1.00 54.43 H new ATOM 0 HG12 VAL A 57 14.028 -1.254 27.000 1.00 54.43 H new ATOM 0 HG13 VAL A 57 13.757 -1.468 25.254 1.00 54.43 H new ATOM 0 HG21 VAL A 57 13.321 1.530 24.662 1.00 34.22 H new ATOM 0 HG22 VAL A 57 12.274 0.239 24.026 1.00 34.22 H new ATOM 0 HG23 VAL A 57 11.568 1.578 24.962 1.00 34.22 H new ATOM 915 N ASP A 58 10.989 -1.025 28.810 1.00 60.03 N ATOM 916 CA ASP A 58 11.120 -1.665 30.114 1.00 74.14 C ATOM 917 C ASP A 58 9.991 -2.665 30.344 1.00 54.14 C ATOM 918 O ASP A 58 10.233 -3.856 30.542 1.00 33.22 O ATOM 919 CB ASP A 58 11.120 -0.613 31.224 1.00 24.40 C ATOM 920 CG ASP A 58 11.482 -1.198 32.575 1.00 33.32 C ATOM 921 OD1 ASP A 58 10.701 -2.025 33.092 1.00 12.44 O ATOM 922 OD2 ASP A 58 12.546 -0.831 33.115 1.00 12.40 O ATOM 0 H ASP A 58 10.384 -0.204 28.802 1.00 60.03 H new ATOM 0 HA ASP A 58 12.068 -2.203 30.134 1.00 74.14 H new ATOM 0 HB2 ASP A 58 11.827 0.177 30.972 1.00 24.40 H new ATOM 0 HB3 ASP A 58 10.134 -0.151 31.283 1.00 24.40 H new ATOM 927 N LEU A 59 8.757 -2.173 30.317 1.00 40.24 N ATOM 928 CA LEU A 59 7.590 -3.023 30.523 1.00 15.32 C ATOM 929 C LEU A 59 7.563 -4.166 29.514 1.00 52.02 C ATOM 930 O LEU A 59 7.168 -5.285 29.839 1.00 31.21 O ATOM 931 CB LEU A 59 6.307 -2.197 30.410 1.00 73.20 C ATOM 932 CG LEU A 59 5.343 -2.604 29.294 1.00 2.43 C ATOM 933 CD1 LEU A 59 3.937 -2.110 29.598 1.00 70.45 C ATOM 934 CD2 LEU A 59 5.822 -2.065 27.954 1.00 72.21 C ATOM 0 H LEU A 59 8.539 -1.190 30.154 1.00 40.24 H new ATOM 0 HA LEU A 59 7.654 -3.449 31.524 1.00 15.32 H new ATOM 0 HB2 LEU A 59 5.776 -2.255 31.360 1.00 73.20 H new ATOM 0 HB3 LEU A 59 6.583 -1.153 30.262 1.00 73.20 H new ATOM 0 HG LEU A 59 5.319 -3.692 29.238 1.00 2.43 H new ATOM 0 HD11 LEU A 59 3.265 -2.408 28.794 1.00 70.45 H new ATOM 0 HD12 LEU A 59 3.594 -2.544 30.537 1.00 70.45 H new ATOM 0 HD13 LEU A 59 3.943 -1.023 29.681 1.00 70.45 H new ATOM 0 HD21 LEU A 59 5.125 -2.364 27.171 1.00 72.21 H new ATOM 0 HD22 LEU A 59 5.875 -0.977 27.997 1.00 72.21 H new ATOM 0 HD23 LEU A 59 6.810 -2.467 27.732 1.00 72.21 H new ATOM 946 N ALA A 60 7.988 -3.877 28.288 1.00 13.53 N ATOM 947 CA ALA A 60 8.016 -4.881 27.233 1.00 65.15 C ATOM 948 C ALA A 60 8.984 -6.009 27.575 1.00 73.44 C ATOM 949 O ALA A 60 8.690 -7.182 27.343 1.00 0.32 O ATOM 950 CB ALA A 60 8.397 -4.241 25.905 1.00 31.45 C ATOM 0 H ALA A 60 8.318 -2.955 28.002 1.00 13.53 H new ATOM 0 HA ALA A 60 7.017 -5.308 27.145 1.00 65.15 H new ATOM 0 HB1 ALA A 60 8.414 -5.003 25.126 1.00 31.45 H new ATOM 0 HB2 ALA A 60 7.666 -3.475 25.647 1.00 31.45 H new ATOM 0 HB3 ALA A 60 9.384 -3.787 25.990 1.00 31.45 H new ATOM 956 N GLU A 61 10.138 -5.647 28.126 1.00 52.42 N ATOM 957 CA GLU A 61 11.148 -6.630 28.498 1.00 43.12 C ATOM 958 C GLU A 61 10.573 -7.662 29.463 1.00 23.42 C ATOM 959 O GLU A 61 10.946 -8.836 29.429 1.00 1.04 O ATOM 960 CB GLU A 61 12.356 -5.938 29.134 1.00 54.33 C ATOM 961 CG GLU A 61 13.543 -5.802 28.196 1.00 41.33 C ATOM 962 CD GLU A 61 14.573 -6.897 28.395 1.00 12.35 C ATOM 963 OE1 GLU A 61 14.182 -8.015 28.791 1.00 52.30 O ATOM 964 OE2 GLU A 61 15.770 -6.635 28.156 1.00 63.12 O ATOM 0 H GLU A 61 10.397 -4.680 28.325 1.00 52.42 H new ATOM 0 HA GLU A 61 11.469 -7.144 27.592 1.00 43.12 H new ATOM 0 HB2 GLU A 61 12.058 -4.947 29.475 1.00 54.33 H new ATOM 0 HB3 GLU A 61 12.663 -6.500 30.016 1.00 54.33 H new ATOM 0 HG2 GLU A 61 13.191 -5.823 27.165 1.00 41.33 H new ATOM 0 HG3 GLU A 61 14.015 -4.832 28.352 1.00 41.33 H new ATOM 971 N LEU A 62 9.664 -7.217 30.323 1.00 30.42 N ATOM 972 CA LEU A 62 9.037 -8.102 31.299 1.00 12.44 C ATOM 973 C LEU A 62 8.016 -9.016 30.629 1.00 12.54 C ATOM 974 O LEU A 62 7.972 -10.217 30.898 1.00 53.15 O ATOM 975 CB LEU A 62 8.360 -7.281 32.399 1.00 71.31 C ATOM 976 CG LEU A 62 7.548 -8.074 33.424 1.00 10.21 C ATOM 977 CD1 LEU A 62 7.816 -7.559 34.830 1.00 75.31 C ATOM 978 CD2 LEU A 62 6.063 -8.000 33.101 1.00 52.33 C ATOM 0 H LEU A 62 9.345 -6.249 30.365 1.00 30.42 H new ATOM 0 HA LEU A 62 9.815 -8.723 31.743 1.00 12.44 H new ATOM 0 HB2 LEU A 62 9.128 -6.719 32.930 1.00 71.31 H new ATOM 0 HB3 LEU A 62 7.700 -6.553 31.927 1.00 71.31 H new ATOM 0 HG LEU A 62 7.858 -9.118 33.376 1.00 10.21 H new ATOM 0 HD11 LEU A 62 7.230 -8.135 35.546 1.00 75.31 H new ATOM 0 HD12 LEU A 62 8.876 -7.665 35.060 1.00 75.31 H new ATOM 0 HD13 LEU A 62 7.534 -6.508 34.892 1.00 75.31 H new ATOM 0 HD21 LEU A 62 5.501 -8.570 33.841 1.00 52.33 H new ATOM 0 HD22 LEU A 62 5.738 -6.960 33.121 1.00 52.33 H new ATOM 0 HD23 LEU A 62 5.885 -8.417 32.110 1.00 52.33 H new ATOM 990 N LEU A 63 7.198 -8.440 29.755 1.00 11.53 N ATOM 991 CA LEU A 63 6.178 -9.203 29.044 1.00 0.51 C ATOM 992 C LEU A 63 6.816 -10.245 28.131 1.00 53.42 C ATOM 993 O LEU A 63 6.459 -11.423 28.173 1.00 4.44 O ATOM 994 CB LEU A 63 5.290 -8.264 28.225 1.00 62.54 C ATOM 995 CG LEU A 63 3.855 -8.736 27.987 1.00 10.43 C ATOM 996 CD1 LEU A 63 3.845 -10.072 27.261 1.00 11.14 C ATOM 997 CD2 LEU A 63 3.102 -8.837 29.306 1.00 61.21 C ATOM 0 H LEU A 63 7.221 -7.447 29.522 1.00 11.53 H new ATOM 0 HA LEU A 63 5.565 -9.721 29.782 1.00 0.51 H new ATOM 0 HB2 LEU A 63 5.255 -7.298 28.729 1.00 62.54 H new ATOM 0 HB3 LEU A 63 5.763 -8.101 27.257 1.00 62.54 H new ATOM 0 HG LEU A 63 3.351 -8.002 27.359 1.00 10.43 H new ATOM 0 HD11 LEU A 63 2.815 -10.391 27.101 1.00 11.14 H new ATOM 0 HD12 LEU A 63 4.346 -9.967 26.299 1.00 11.14 H new ATOM 0 HD13 LEU A 63 4.366 -10.817 27.862 1.00 11.14 H new ATOM 0 HD21 LEU A 63 2.083 -9.174 29.118 1.00 61.21 H new ATOM 0 HD22 LEU A 63 3.606 -9.550 29.959 1.00 61.21 H new ATOM 0 HD23 LEU A 63 3.078 -7.859 29.787 1.00 61.21 H new ATOM 1009 N ILE A 64 7.761 -9.803 27.308 1.00 73.44 N ATOM 1010 CA ILE A 64 8.450 -10.699 26.387 1.00 41.31 C ATOM 1011 C ILE A 64 9.171 -11.812 27.139 1.00 3.12 C ATOM 1012 O ILE A 64 9.267 -12.940 26.657 1.00 74.42 O ATOM 1013 CB ILE A 64 9.469 -9.937 25.518 1.00 21.55 C ATOM 1014 CG1 ILE A 64 10.569 -9.335 26.395 1.00 65.24 C ATOM 1015 CG2 ILE A 64 8.772 -8.851 24.713 1.00 71.40 C ATOM 1016 CD1 ILE A 64 11.783 -10.227 26.539 1.00 52.10 C ATOM 0 H ILE A 64 8.067 -8.831 27.260 1.00 73.44 H new ATOM 0 HA ILE A 64 7.688 -11.135 25.741 1.00 41.31 H new ATOM 0 HB ILE A 64 9.928 -10.639 24.822 1.00 21.55 H new ATOM 0 HG12 ILE A 64 10.878 -8.380 25.971 1.00 65.24 H new ATOM 0 HG13 ILE A 64 10.161 -9.128 27.384 1.00 65.24 H new ATOM 0 HG21 ILE A 64 9.505 -8.322 24.104 1.00 71.40 H new ATOM 0 HG22 ILE A 64 8.021 -9.304 24.065 1.00 71.40 H new ATOM 0 HG23 ILE A 64 8.289 -8.148 25.392 1.00 71.40 H new ATOM 0 HD11 ILE A 64 12.522 -9.737 27.173 1.00 52.10 H new ATOM 0 HD12 ILE A 64 11.487 -11.174 26.991 1.00 52.10 H new ATOM 0 HD13 ILE A 64 12.216 -10.414 25.556 1.00 52.10 H new ATOM 1028 N SER A 65 9.676 -11.487 28.325 1.00 44.41 N ATOM 1029 CA SER A 65 10.391 -12.459 29.144 1.00 41.40 C ATOM 1030 C SER A 65 9.415 -13.383 29.866 1.00 41.22 C ATOM 1031 O SER A 65 9.750 -14.519 30.201 1.00 32.21 O ATOM 1032 CB SER A 65 11.281 -11.743 30.162 1.00 42.01 C ATOM 1033 OG SER A 65 11.997 -12.673 30.956 1.00 10.02 O ATOM 0 H SER A 65 9.603 -10.558 28.740 1.00 44.41 H new ATOM 0 HA SER A 65 11.016 -13.062 28.486 1.00 41.40 H new ATOM 0 HB2 SER A 65 11.981 -11.089 29.642 1.00 42.01 H new ATOM 0 HB3 SER A 65 10.669 -11.109 30.803 1.00 42.01 H new ATOM 0 HG SER A 65 12.559 -12.191 31.597 1.00 10.02 H new ATOM 1039 N LYS A 66 8.205 -12.887 30.102 1.00 4.24 N ATOM 1040 CA LYS A 66 7.178 -13.666 30.783 1.00 21.02 C ATOM 1041 C LYS A 66 6.861 -14.942 30.010 1.00 42.02 C ATOM 1042 O LYS A 66 7.098 -16.048 30.495 1.00 64.50 O ATOM 1043 CB LYS A 66 5.907 -12.832 30.955 1.00 35.11 C ATOM 1044 CG LYS A 66 4.662 -13.665 31.209 1.00 62.45 C ATOM 1045 CD LYS A 66 4.863 -14.629 32.366 1.00 32.20 C ATOM 1046 CE LYS A 66 5.259 -13.897 33.639 1.00 42.12 C ATOM 1047 NZ LYS A 66 6.636 -14.256 34.079 1.00 12.53 N ATOM 0 H LYS A 66 7.912 -11.948 29.831 1.00 4.24 H new ATOM 0 HA LYS A 66 7.559 -13.943 31.766 1.00 21.02 H new ATOM 0 HB2 LYS A 66 6.046 -12.140 31.785 1.00 35.11 H new ATOM 0 HB3 LYS A 66 5.754 -12.229 30.060 1.00 35.11 H new ATOM 0 HG2 LYS A 66 3.820 -13.007 31.425 1.00 62.45 H new ATOM 0 HG3 LYS A 66 4.407 -14.224 30.309 1.00 62.45 H new ATOM 0 HD2 LYS A 66 3.944 -15.189 32.538 1.00 32.20 H new ATOM 0 HD3 LYS A 66 5.635 -15.354 32.107 1.00 32.20 H new ATOM 0 HE2 LYS A 66 5.199 -12.821 33.473 1.00 42.12 H new ATOM 0 HE3 LYS A 66 4.550 -14.137 34.432 1.00 42.12 H new ATOM 0 HZ1 LYS A 66 6.631 -14.467 35.097 1.00 12.53 H new ATOM 0 HZ2 LYS A 66 6.961 -15.093 33.554 1.00 12.53 H new ATOM 0 HZ3 LYS A 66 7.278 -13.460 33.893 1.00 12.53 H new ATOM 1061 N TYR A 67 6.326 -14.780 28.805 1.00 71.30 N ATOM 1062 CA TYR A 67 5.976 -15.920 27.965 1.00 11.40 C ATOM 1063 C TYR A 67 6.875 -15.986 26.735 1.00 64.04 C ATOM 1064 O TYR A 67 7.294 -17.064 26.315 1.00 61.01 O ATOM 1065 CB TYR A 67 4.511 -15.832 27.535 1.00 35.01 C ATOM 1066 CG TYR A 67 3.723 -17.093 27.808 1.00 31.43 C ATOM 1067 CD1 TYR A 67 4.108 -18.309 27.257 1.00 60.32 C ATOM 1068 CD2 TYR A 67 2.593 -17.069 28.617 1.00 63.51 C ATOM 1069 CE1 TYR A 67 3.391 -19.464 27.503 1.00 62.30 C ATOM 1070 CE2 TYR A 67 1.871 -18.220 28.870 1.00 43.33 C ATOM 1071 CZ TYR A 67 2.274 -19.414 28.310 1.00 20.54 C ATOM 1072 OH TYR A 67 1.557 -20.562 28.559 1.00 74.24 O ATOM 0 H TYR A 67 6.125 -13.871 28.388 1.00 71.30 H new ATOM 0 HA TYR A 67 6.123 -16.828 28.549 1.00 11.40 H new ATOM 0 HB2 TYR A 67 4.038 -14.999 28.054 1.00 35.01 H new ATOM 0 HB3 TYR A 67 4.467 -15.610 26.469 1.00 35.01 H new ATOM 0 HD1 TYR A 67 4.983 -18.352 26.625 1.00 60.32 H new ATOM 0 HD2 TYR A 67 2.274 -16.135 29.055 1.00 63.51 H new ATOM 0 HE1 TYR A 67 3.704 -20.401 27.066 1.00 62.30 H new ATOM 0 HE2 TYR A 67 0.996 -18.185 29.503 1.00 43.33 H new ATOM 0 HH TYR A 67 0.801 -20.354 29.147 1.00 74.24 H new ATOM 1082 N GLY A 68 7.169 -14.823 26.161 1.00 61.14 N ATOM 1083 CA GLY A 68 8.017 -14.770 24.984 1.00 4.44 C ATOM 1084 C GLY A 68 7.845 -13.482 24.204 1.00 44.24 C ATOM 1085 O GLY A 68 6.768 -12.888 24.204 1.00 74.21 O ATOM 0 H GLY A 68 6.835 -13.917 26.490 1.00 61.14 H new ATOM 0 HA2 GLY A 68 9.059 -14.872 25.286 1.00 4.44 H new ATOM 0 HA3 GLY A 68 7.788 -15.617 24.337 1.00 4.44 H new ATOM 1089 N GLU A 69 8.911 -13.048 23.537 1.00 22.55 N ATOM 1090 CA GLU A 69 8.873 -11.821 22.751 1.00 12.14 C ATOM 1091 C GLU A 69 7.944 -11.973 21.551 1.00 55.34 C ATOM 1092 O GLU A 69 7.390 -10.993 21.051 1.00 44.31 O ATOM 1093 CB GLU A 69 10.279 -11.448 22.278 1.00 62.00 C ATOM 1094 CG GLU A 69 10.935 -12.515 21.418 1.00 73.14 C ATOM 1095 CD GLU A 69 11.300 -12.008 20.036 1.00 13.30 C ATOM 1096 OE1 GLU A 69 10.532 -11.195 19.480 1.00 71.33 O ATOM 1097 OE2 GLU A 69 12.354 -12.424 19.511 1.00 1.45 O ATOM 0 H GLU A 69 9.811 -13.528 23.526 1.00 22.55 H new ATOM 0 HA GLU A 69 8.489 -11.024 23.387 1.00 12.14 H new ATOM 0 HB2 GLU A 69 10.228 -10.518 21.712 1.00 62.00 H new ATOM 0 HB3 GLU A 69 10.907 -11.258 23.148 1.00 62.00 H new ATOM 0 HG2 GLU A 69 11.834 -12.877 21.917 1.00 73.14 H new ATOM 0 HG3 GLU A 69 10.260 -13.365 21.322 1.00 73.14 H new ATOM 1104 N LYS A 70 7.777 -13.208 21.091 1.00 32.34 N ATOM 1105 CA LYS A 70 6.915 -13.491 19.950 1.00 71.20 C ATOM 1106 C LYS A 70 5.463 -13.146 20.266 1.00 41.33 C ATOM 1107 O LYS A 70 4.968 -12.091 19.872 1.00 55.42 O ATOM 1108 CB LYS A 70 7.025 -14.965 19.554 1.00 20.45 C ATOM 1109 CG LYS A 70 7.822 -15.196 18.282 1.00 54.11 C ATOM 1110 CD LYS A 70 9.266 -14.753 18.441 1.00 65.13 C ATOM 1111 CE LYS A 70 9.618 -13.640 17.466 1.00 5.30 C ATOM 1112 NZ LYS A 70 10.188 -14.173 16.198 1.00 42.55 N ATOM 0 H LYS A 70 8.228 -14.030 21.492 1.00 32.34 H new ATOM 0 HA LYS A 70 7.244 -12.871 19.116 1.00 71.20 H new ATOM 0 HB2 LYS A 70 7.491 -15.518 20.370 1.00 20.45 H new ATOM 0 HB3 LYS A 70 6.023 -15.373 19.424 1.00 20.45 H new ATOM 0 HG2 LYS A 70 7.792 -16.253 18.020 1.00 54.11 H new ATOM 0 HG3 LYS A 70 7.361 -14.650 17.459 1.00 54.11 H new ATOM 0 HD2 LYS A 70 9.432 -14.410 19.462 1.00 65.13 H new ATOM 0 HD3 LYS A 70 9.929 -15.603 18.279 1.00 65.13 H new ATOM 0 HE2 LYS A 70 8.725 -13.055 17.245 1.00 5.30 H new ATOM 0 HE3 LYS A 70 10.335 -12.964 17.931 1.00 5.30 H new ATOM 0 HZ1 LYS A 70 10.415 -13.383 15.560 1.00 42.55 H new ATOM 0 HZ2 LYS A 70 11.054 -14.710 16.405 1.00 42.55 H new ATOM 0 HZ3 LYS A 70 9.494 -14.798 15.741 1.00 42.55 H new ATOM 1126 N GLU A 71 4.788 -14.041 20.979 1.00 20.45 N ATOM 1127 CA GLU A 71 3.393 -13.829 21.348 1.00 62.31 C ATOM 1128 C GLU A 71 3.200 -12.452 21.976 1.00 53.13 C ATOM 1129 O GLU A 71 2.120 -11.867 21.894 1.00 30.22 O ATOM 1130 CB GLU A 71 2.929 -14.915 22.321 1.00 72.12 C ATOM 1131 CG GLU A 71 1.497 -14.735 22.796 1.00 10.41 C ATOM 1132 CD GLU A 71 0.814 -16.053 23.106 1.00 44.24 C ATOM 1133 OE1 GLU A 71 0.343 -16.715 22.157 1.00 1.54 O ATOM 1134 OE2 GLU A 71 0.752 -16.422 24.297 1.00 61.51 O ATOM 0 H GLU A 71 5.184 -14.920 21.313 1.00 20.45 H new ATOM 0 HA GLU A 71 2.791 -13.883 20.441 1.00 62.31 H new ATOM 0 HB2 GLU A 71 3.023 -15.888 21.838 1.00 72.12 H new ATOM 0 HB3 GLU A 71 3.592 -14.923 23.186 1.00 72.12 H new ATOM 0 HG2 GLU A 71 1.490 -14.108 23.688 1.00 10.41 H new ATOM 0 HG3 GLU A 71 0.928 -14.207 22.031 1.00 10.41 H new ATOM 1141 N ALA A 72 4.254 -11.940 22.602 1.00 21.44 N ATOM 1142 CA ALA A 72 4.202 -10.632 23.243 1.00 75.11 C ATOM 1143 C ALA A 72 3.616 -9.584 22.303 1.00 43.22 C ATOM 1144 O ALA A 72 2.555 -9.019 22.570 1.00 64.04 O ATOM 1145 CB ALA A 72 5.590 -10.214 23.704 1.00 71.10 C ATOM 0 H ALA A 72 5.155 -12.412 22.679 1.00 21.44 H new ATOM 0 HA ALA A 72 3.550 -10.707 24.113 1.00 75.11 H new ATOM 0 HB1 ALA A 72 5.536 -9.235 24.181 1.00 71.10 H new ATOM 0 HB2 ALA A 72 5.972 -10.944 24.417 1.00 71.10 H new ATOM 0 HB3 ALA A 72 6.259 -10.162 22.845 1.00 71.10 H new ATOM 1151 N VAL A 73 4.315 -9.327 21.201 1.00 31.43 N ATOM 1152 CA VAL A 73 3.864 -8.347 20.221 1.00 0.30 C ATOM 1153 C VAL A 73 2.484 -8.705 19.680 1.00 44.30 C ATOM 1154 O VAL A 73 1.680 -7.826 19.368 1.00 62.21 O ATOM 1155 CB VAL A 73 4.852 -8.234 19.044 1.00 35.54 C ATOM 1156 CG1 VAL A 73 4.222 -7.470 17.890 1.00 2.50 C ATOM 1157 CG2 VAL A 73 6.143 -7.569 19.495 1.00 50.41 C ATOM 0 H VAL A 73 5.196 -9.784 20.965 1.00 31.43 H new ATOM 0 HA VAL A 73 3.811 -7.387 20.735 1.00 0.30 H new ATOM 0 HB VAL A 73 5.091 -9.238 18.694 1.00 35.54 H new ATOM 0 HG11 VAL A 73 4.934 -7.400 17.068 1.00 2.50 H new ATOM 0 HG12 VAL A 73 3.328 -7.994 17.552 1.00 2.50 H new ATOM 0 HG13 VAL A 73 3.952 -6.468 18.222 1.00 2.50 H new ATOM 0 HG21 VAL A 73 6.829 -7.497 18.651 1.00 50.41 H new ATOM 0 HG22 VAL A 73 5.925 -6.570 19.872 1.00 50.41 H new ATOM 0 HG23 VAL A 73 6.601 -8.163 20.286 1.00 50.41 H new ATOM 1167 N LYS A 74 2.216 -10.001 19.571 1.00 32.54 N ATOM 1168 CA LYS A 74 0.932 -10.478 19.070 1.00 65.12 C ATOM 1169 C LYS A 74 -0.192 -10.142 20.045 1.00 65.42 C ATOM 1170 O LYS A 74 -1.287 -9.758 19.636 1.00 34.21 O ATOM 1171 CB LYS A 74 0.983 -11.989 18.834 1.00 21.41 C ATOM 1172 CG LYS A 74 -0.385 -12.622 18.647 1.00 30.14 C ATOM 1173 CD LYS A 74 -0.951 -13.126 19.964 1.00 24.45 C ATOM 1174 CE LYS A 74 -1.279 -14.610 19.899 1.00 64.14 C ATOM 1175 NZ LYS A 74 -1.832 -15.114 21.186 1.00 4.33 N ATOM 0 H LYS A 74 2.871 -10.741 19.823 1.00 32.54 H new ATOM 0 HA LYS A 74 0.730 -9.975 18.124 1.00 65.12 H new ATOM 0 HB2 LYS A 74 1.591 -12.190 17.952 1.00 21.41 H new ATOM 0 HB3 LYS A 74 1.481 -12.464 19.679 1.00 21.41 H new ATOM 0 HG2 LYS A 74 -1.068 -11.892 18.212 1.00 30.14 H new ATOM 0 HG3 LYS A 74 -0.311 -13.450 17.941 1.00 30.14 H new ATOM 0 HD2 LYS A 74 -0.232 -12.946 20.763 1.00 24.45 H new ATOM 0 HD3 LYS A 74 -1.851 -12.564 20.213 1.00 24.45 H new ATOM 0 HE2 LYS A 74 -1.999 -14.788 19.100 1.00 64.14 H new ATOM 0 HE3 LYS A 74 -0.378 -15.170 19.647 1.00 64.14 H new ATOM 0 HZ1 LYS A 74 -1.207 -15.853 21.566 1.00 4.33 H new ATOM 0 HZ2 LYS A 74 -1.896 -14.331 21.867 1.00 4.33 H new ATOM 0 HZ3 LYS A 74 -2.780 -15.511 21.025 1.00 4.33 H new ATOM 1189 N VAL A 75 0.088 -10.289 21.336 1.00 10.41 N ATOM 1190 CA VAL A 75 -0.899 -9.998 22.370 1.00 62.35 C ATOM 1191 C VAL A 75 -1.312 -8.531 22.338 1.00 75.32 C ATOM 1192 O VAL A 75 -2.377 -8.164 22.835 1.00 72.41 O ATOM 1193 CB VAL A 75 -0.360 -10.338 23.772 1.00 65.13 C ATOM 1194 CG1 VAL A 75 0.280 -9.114 24.409 1.00 13.12 C ATOM 1195 CG2 VAL A 75 -1.472 -10.888 24.651 1.00 14.43 C ATOM 0 H VAL A 75 0.990 -10.608 21.691 1.00 10.41 H new ATOM 0 HA VAL A 75 -1.768 -10.622 22.162 1.00 62.35 H new ATOM 0 HB VAL A 75 0.406 -11.107 23.672 1.00 65.13 H new ATOM 0 HG11 VAL A 75 0.655 -9.373 25.399 1.00 13.12 H new ATOM 0 HG12 VAL A 75 1.106 -8.770 23.787 1.00 13.12 H new ATOM 0 HG13 VAL A 75 -0.462 -8.320 24.498 1.00 13.12 H new ATOM 0 HG21 VAL A 75 -1.073 -11.123 25.638 1.00 14.43 H new ATOM 0 HG22 VAL A 75 -2.262 -10.143 24.747 1.00 14.43 H new ATOM 0 HG23 VAL A 75 -1.879 -11.793 24.199 1.00 14.43 H new ATOM 1205 N VAL A 76 -0.463 -7.695 21.749 1.00 32.20 N ATOM 1206 CA VAL A 76 -0.741 -6.267 21.650 1.00 23.34 C ATOM 1207 C VAL A 76 -1.702 -5.972 20.505 1.00 73.23 C ATOM 1208 O VAL A 76 -2.716 -5.297 20.689 1.00 70.14 O ATOM 1209 CB VAL A 76 0.553 -5.457 21.442 1.00 34.21 C ATOM 1210 CG1 VAL A 76 0.294 -4.260 20.540 1.00 73.31 C ATOM 1211 CG2 VAL A 76 1.124 -5.013 22.780 1.00 12.02 C ATOM 0 H VAL A 76 0.423 -7.982 21.333 1.00 32.20 H new ATOM 0 HA VAL A 76 -1.201 -5.968 22.592 1.00 23.34 H new ATOM 0 HB VAL A 76 1.288 -6.097 20.954 1.00 34.21 H new ATOM 0 HG11 VAL A 76 1.219 -3.700 20.404 1.00 73.31 H new ATOM 0 HG12 VAL A 76 -0.066 -4.606 19.571 1.00 73.31 H new ATOM 0 HG13 VAL A 76 -0.457 -3.616 20.997 1.00 73.31 H new ATOM 0 HG21 VAL A 76 2.038 -4.442 22.614 1.00 12.02 H new ATOM 0 HG22 VAL A 76 0.395 -4.389 23.298 1.00 12.02 H new ATOM 0 HG23 VAL A 76 1.349 -5.889 23.388 1.00 12.02 H new ATOM 1221 N LEU A 77 -1.378 -6.483 19.322 1.00 55.52 N ATOM 1222 CA LEU A 77 -2.214 -6.275 18.144 1.00 11.42 C ATOM 1223 C LEU A 77 -3.542 -7.013 18.281 1.00 25.41 C ATOM 1224 O LEU A 77 -4.609 -6.443 18.052 1.00 25.21 O ATOM 1225 CB LEU A 77 -1.483 -6.746 16.886 1.00 43.51 C ATOM 1226 CG LEU A 77 -0.994 -8.194 16.896 1.00 32.52 C ATOM 1227 CD1 LEU A 77 -1.987 -9.097 16.181 1.00 62.55 C ATOM 1228 CD2 LEU A 77 0.382 -8.298 16.255 1.00 0.21 C ATOM 0 H LEU A 77 -0.543 -7.044 19.153 1.00 55.52 H new ATOM 0 HA LEU A 77 -2.420 -5.208 18.059 1.00 11.42 H new ATOM 0 HB2 LEU A 77 -2.148 -6.614 16.033 1.00 43.51 H new ATOM 0 HB3 LEU A 77 -0.624 -6.095 16.724 1.00 43.51 H new ATOM 0 HG LEU A 77 -0.915 -8.523 17.932 1.00 32.52 H new ATOM 0 HD11 LEU A 77 -1.622 -10.124 16.198 1.00 62.55 H new ATOM 0 HD12 LEU A 77 -2.953 -9.046 16.684 1.00 62.55 H new ATOM 0 HD13 LEU A 77 -2.099 -8.769 15.148 1.00 62.55 H new ATOM 0 HD21 LEU A 77 0.713 -9.336 16.271 1.00 0.21 H new ATOM 0 HD22 LEU A 77 0.330 -7.950 15.223 1.00 0.21 H new ATOM 0 HD23 LEU A 77 1.090 -7.682 16.810 1.00 0.21 H new ATOM 1240 N LYS A 78 -3.469 -8.285 18.658 1.00 24.41 N ATOM 1241 CA LYS A 78 -4.664 -9.103 18.830 1.00 42.33 C ATOM 1242 C LYS A 78 -5.661 -8.420 19.761 1.00 64.21 C ATOM 1243 O LYS A 78 -6.868 -8.454 19.526 1.00 22.32 O ATOM 1244 CB LYS A 78 -4.290 -10.479 19.385 1.00 11.25 C ATOM 1245 CG LYS A 78 -5.192 -11.598 18.895 1.00 21.21 C ATOM 1246 CD LYS A 78 -5.997 -12.205 20.032 1.00 1.53 C ATOM 1247 CE LYS A 78 -7.225 -11.367 20.355 1.00 43.43 C ATOM 1248 NZ LYS A 78 -8.105 -11.192 19.166 1.00 2.02 N ATOM 0 H LYS A 78 -2.594 -8.772 18.850 1.00 24.41 H new ATOM 0 HA LYS A 78 -5.132 -9.228 17.854 1.00 42.33 H new ATOM 0 HB2 LYS A 78 -3.261 -10.706 19.108 1.00 11.25 H new ATOM 0 HB3 LYS A 78 -4.327 -10.445 20.474 1.00 11.25 H new ATOM 0 HG2 LYS A 78 -5.870 -11.213 18.133 1.00 21.21 H new ATOM 0 HG3 LYS A 78 -4.588 -12.372 18.422 1.00 21.21 H new ATOM 0 HD2 LYS A 78 -6.305 -13.215 19.762 1.00 1.53 H new ATOM 0 HD3 LYS A 78 -5.369 -12.289 20.919 1.00 1.53 H new ATOM 0 HE2 LYS A 78 -7.789 -11.843 21.157 1.00 43.43 H new ATOM 0 HE3 LYS A 78 -6.912 -10.390 20.722 1.00 43.43 H new ATOM 0 HZ1 LYS A 78 -9.098 -11.314 19.448 1.00 2.02 H new ATOM 0 HZ2 LYS A 78 -7.971 -10.239 18.773 1.00 2.02 H new ATOM 0 HZ3 LYS A 78 -7.860 -11.901 18.446 1.00 2.02 H new ATOM 1262 N GLY A 79 -5.147 -7.799 20.818 1.00 24.23 N ATOM 1263 CA GLY A 79 -6.006 -7.116 21.768 1.00 61.33 C ATOM 1264 C GLY A 79 -6.290 -5.683 21.366 1.00 41.42 C ATOM 1265 O GLY A 79 -7.279 -5.092 21.801 1.00 32.15 O ATOM 0 H GLY A 79 -4.151 -7.757 21.034 1.00 24.23 H new ATOM 0 HA2 GLY A 79 -6.947 -7.658 21.857 1.00 61.33 H new ATOM 0 HA3 GLY A 79 -5.537 -7.128 22.752 1.00 61.33 H new ATOM 1269 N LEU A 80 -5.420 -5.120 20.534 1.00 54.11 N ATOM 1270 CA LEU A 80 -5.581 -3.745 20.074 1.00 14.10 C ATOM 1271 C LEU A 80 -6.712 -3.640 19.055 1.00 21.24 C ATOM 1272 O LEU A 80 -7.372 -2.607 18.948 1.00 11.41 O ATOM 1273 CB LEU A 80 -4.277 -3.236 19.459 1.00 64.02 C ATOM 1274 CG LEU A 80 -3.325 -2.508 20.409 1.00 33.44 C ATOM 1275 CD1 LEU A 80 -2.092 -2.024 19.663 1.00 0.01 C ATOM 1276 CD2 LEU A 80 -4.034 -1.343 21.085 1.00 70.41 C ATOM 0 H LEU A 80 -4.596 -5.594 20.164 1.00 54.11 H new ATOM 0 HA LEU A 80 -5.835 -3.127 20.936 1.00 14.10 H new ATOM 0 HB2 LEU A 80 -3.747 -4.085 19.026 1.00 64.02 H new ATOM 0 HB3 LEU A 80 -4.524 -2.563 18.638 1.00 64.02 H new ATOM 0 HG LEU A 80 -3.005 -3.209 21.180 1.00 33.44 H new ATOM 0 HD11 LEU A 80 -1.427 -1.509 20.356 1.00 0.01 H new ATOM 0 HD12 LEU A 80 -1.572 -2.877 19.227 1.00 0.01 H new ATOM 0 HD13 LEU A 80 -2.392 -1.339 18.870 1.00 0.01 H new ATOM 0 HD21 LEU A 80 -3.342 -0.836 21.757 1.00 70.41 H new ATOM 0 HD22 LEU A 80 -4.384 -0.641 20.328 1.00 70.41 H new ATOM 0 HD23 LEU A 80 -4.885 -1.716 21.654 1.00 70.41 H new ATOM 1288 N LYS A 81 -6.931 -4.718 18.310 1.00 35.22 N ATOM 1289 CA LYS A 81 -7.984 -4.750 17.302 1.00 34.41 C ATOM 1290 C LYS A 81 -9.324 -4.335 17.901 1.00 11.51 C ATOM 1291 O LYS A 81 -9.955 -3.385 17.437 1.00 1.52 O ATOM 1292 CB LYS A 81 -8.097 -6.152 16.697 1.00 11.34 C ATOM 1293 CG LYS A 81 -7.158 -6.386 15.527 1.00 60.50 C ATOM 1294 CD LYS A 81 -7.783 -5.947 14.214 1.00 51.14 C ATOM 1295 CE LYS A 81 -7.177 -4.644 13.716 1.00 4.22 C ATOM 1296 NZ LYS A 81 -7.785 -4.204 12.430 1.00 15.24 N ATOM 0 H LYS A 81 -6.393 -5.581 18.385 1.00 35.22 H new ATOM 0 HA LYS A 81 -7.722 -4.041 16.517 1.00 34.41 H new ATOM 0 HB2 LYS A 81 -7.890 -6.891 17.471 1.00 11.34 H new ATOM 0 HB3 LYS A 81 -9.123 -6.315 16.367 1.00 11.34 H new ATOM 0 HG2 LYS A 81 -6.229 -5.839 15.690 1.00 60.50 H new ATOM 0 HG3 LYS A 81 -6.900 -7.444 15.472 1.00 60.50 H new ATOM 0 HD2 LYS A 81 -7.641 -6.725 13.464 1.00 51.14 H new ATOM 0 HD3 LYS A 81 -8.858 -5.823 14.345 1.00 51.14 H new ATOM 0 HE2 LYS A 81 -7.317 -3.868 14.468 1.00 4.22 H new ATOM 0 HE3 LYS A 81 -6.102 -4.770 13.585 1.00 4.22 H new ATOM 0 HZ1 LYS A 81 -7.345 -3.313 12.125 1.00 15.24 H new ATOM 0 HZ2 LYS A 81 -7.629 -4.933 11.705 1.00 15.24 H new ATOM 0 HZ3 LYS A 81 -8.806 -4.058 12.561 1.00 15.24 H new ATOM 1310 N VAL A 82 -9.753 -5.051 18.935 1.00 22.15 N ATOM 1311 CA VAL A 82 -11.016 -4.755 19.600 1.00 54.43 C ATOM 1312 C VAL A 82 -11.015 -3.344 20.179 1.00 73.24 C ATOM 1313 O VAL A 82 -12.031 -2.870 20.686 1.00 51.10 O ATOM 1314 CB VAL A 82 -11.307 -5.761 20.729 1.00 5.00 C ATOM 1315 CG1 VAL A 82 -12.777 -5.722 21.114 1.00 15.15 C ATOM 1316 CG2 VAL A 82 -10.894 -7.164 20.311 1.00 64.12 C ATOM 0 H VAL A 82 -9.244 -5.841 19.331 1.00 22.15 H new ATOM 0 HA VAL A 82 -11.797 -4.834 18.844 1.00 54.43 H new ATOM 0 HB VAL A 82 -10.720 -5.479 21.603 1.00 5.00 H new ATOM 0 HG11 VAL A 82 -12.963 -6.440 21.913 1.00 15.15 H new ATOM 0 HG12 VAL A 82 -13.037 -4.721 21.458 1.00 15.15 H new ATOM 0 HG13 VAL A 82 -13.387 -5.978 20.248 1.00 15.15 H new ATOM 0 HG21 VAL A 82 -11.107 -7.862 21.121 1.00 64.12 H new ATOM 0 HG22 VAL A 82 -11.452 -7.458 19.422 1.00 64.12 H new ATOM 0 HG23 VAL A 82 -9.827 -7.179 20.090 1.00 64.12 H new ATOM 1326 N MET A 83 -9.868 -2.679 20.098 1.00 2.43 N ATOM 1327 CA MET A 83 -9.735 -1.321 20.613 1.00 1.41 C ATOM 1328 C MET A 83 -9.673 -0.310 19.472 1.00 73.21 C ATOM 1329 O MET A 83 -9.542 0.891 19.701 1.00 15.31 O ATOM 1330 CB MET A 83 -8.482 -1.202 21.483 1.00 61.32 C ATOM 1331 CG MET A 83 -8.675 -1.718 22.900 1.00 64.55 C ATOM 1332 SD MET A 83 -9.984 -0.849 23.783 1.00 22.24 S ATOM 1333 CE MET A 83 -9.077 0.548 24.443 1.00 73.30 C ATOM 0 H MET A 83 -9.018 -3.058 19.681 1.00 2.43 H new ATOM 0 HA MET A 83 -10.613 -1.103 21.221 1.00 1.41 H new ATOM 0 HB2 MET A 83 -7.669 -1.754 21.012 1.00 61.32 H new ATOM 0 HB3 MET A 83 -8.176 -0.157 21.524 1.00 61.32 H new ATOM 0 HG2 MET A 83 -8.909 -2.782 22.866 1.00 64.55 H new ATOM 0 HG3 MET A 83 -7.740 -1.615 23.451 1.00 64.55 H new ATOM 0 HE1 MET A 83 -9.211 0.591 25.524 1.00 73.30 H new ATOM 0 HE2 MET A 83 -8.018 0.436 24.213 1.00 73.30 H new ATOM 0 HE3 MET A 83 -9.450 1.469 23.995 1.00 73.30 H new ATOM 1343 N ASN A 84 -9.768 -0.806 18.242 1.00 20.35 N ATOM 1344 CA ASN A 84 -9.722 0.054 17.066 1.00 61.13 C ATOM 1345 C ASN A 84 -8.416 0.841 17.018 1.00 64.44 C ATOM 1346 O ASN A 84 -8.415 2.051 16.789 1.00 61.13 O ATOM 1347 CB ASN A 84 -10.911 1.017 17.065 1.00 3.25 C ATOM 1348 CG ASN A 84 -12.175 0.376 16.527 1.00 63.45 C ATOM 1349 OD1 ASN A 84 -13.153 0.200 17.253 1.00 52.13 O ATOM 1350 ND2 ASN A 84 -12.159 0.022 15.247 1.00 60.23 N ATOM 0 H ASN A 84 -9.877 -1.799 18.035 1.00 20.35 H new ATOM 0 HA ASN A 84 -9.776 -0.580 16.181 1.00 61.13 H new ATOM 0 HB2 ASN A 84 -11.090 1.370 18.081 1.00 3.25 H new ATOM 0 HB3 ASN A 84 -10.666 1.892 16.462 1.00 3.25 H new ATOM 0 HD21 ASN A 84 -12.980 -0.415 14.828 1.00 60.23 H new ATOM 0 HD22 ASN A 84 -11.326 0.187 14.683 1.00 60.23 H new ATOM 1357 N LEU A 85 -7.305 0.145 17.234 1.00 4.32 N ATOM 1358 CA LEU A 85 -5.990 0.778 17.215 1.00 32.10 C ATOM 1359 C LEU A 85 -5.241 0.438 15.931 1.00 61.23 C ATOM 1360 O LEU A 85 -4.010 0.403 15.908 1.00 42.50 O ATOM 1361 CB LEU A 85 -5.172 0.335 18.429 1.00 4.11 C ATOM 1362 CG LEU A 85 -5.034 1.360 19.556 1.00 70.23 C ATOM 1363 CD1 LEU A 85 -4.713 2.735 18.990 1.00 21.35 C ATOM 1364 CD2 LEU A 85 -6.305 1.408 20.391 1.00 52.12 C ATOM 0 H LEU A 85 -7.288 -0.857 17.424 1.00 4.32 H new ATOM 0 HA LEU A 85 -6.133 1.858 17.255 1.00 32.10 H new ATOM 0 HB2 LEU A 85 -5.627 -0.567 18.839 1.00 4.11 H new ATOM 0 HB3 LEU A 85 -4.173 0.062 18.089 1.00 4.11 H new ATOM 0 HG LEU A 85 -4.211 1.054 20.201 1.00 70.23 H new ATOM 0 HD11 LEU A 85 -4.618 3.451 19.806 1.00 21.35 H new ATOM 0 HD12 LEU A 85 -3.775 2.691 18.436 1.00 21.35 H new ATOM 0 HD13 LEU A 85 -5.515 3.050 18.322 1.00 21.35 H new ATOM 0 HD21 LEU A 85 -6.189 2.142 21.188 1.00 52.12 H new ATOM 0 HD22 LEU A 85 -7.146 1.690 19.758 1.00 52.12 H new ATOM 0 HD23 LEU A 85 -6.492 0.426 20.826 1.00 52.12 H new ATOM 1376 N LEU A 86 -5.991 0.189 14.863 1.00 43.02 N ATOM 1377 CA LEU A 86 -5.398 -0.146 13.573 1.00 64.12 C ATOM 1378 C LEU A 86 -4.405 0.926 13.135 1.00 53.25 C ATOM 1379 O LEU A 86 -3.538 0.677 12.298 1.00 51.42 O ATOM 1380 CB LEU A 86 -6.490 -0.310 12.514 1.00 2.32 C ATOM 1381 CG LEU A 86 -7.270 0.955 12.154 1.00 43.14 C ATOM 1382 CD1 LEU A 86 -7.520 1.019 10.655 1.00 71.20 C ATOM 1383 CD2 LEU A 86 -8.584 1.007 12.919 1.00 52.45 C ATOM 0 H LEU A 86 -7.011 0.213 14.865 1.00 43.02 H new ATOM 0 HA LEU A 86 -4.862 -1.089 13.682 1.00 64.12 H new ATOM 0 HB2 LEU A 86 -6.032 -0.701 11.606 1.00 2.32 H new ATOM 0 HB3 LEU A 86 -7.197 -1.062 12.864 1.00 2.32 H new ATOM 0 HG LEU A 86 -6.673 1.821 12.439 1.00 43.14 H new ATOM 0 HD11 LEU A 86 -8.076 1.926 10.417 1.00 71.20 H new ATOM 0 HD12 LEU A 86 -6.566 1.029 10.127 1.00 71.20 H new ATOM 0 HD13 LEU A 86 -8.097 0.148 10.345 1.00 71.20 H new ATOM 0 HD21 LEU A 86 -9.126 1.914 12.650 1.00 52.45 H new ATOM 0 HD22 LEU A 86 -9.187 0.135 12.666 1.00 52.45 H new ATOM 0 HD23 LEU A 86 -8.382 1.009 13.990 1.00 52.45 H new ATOM 1395 N GLU A 87 -4.539 2.118 13.708 1.00 44.34 N ATOM 1396 CA GLU A 87 -3.652 3.228 13.376 1.00 31.34 C ATOM 1397 C GLU A 87 -2.190 2.821 13.532 1.00 24.24 C ATOM 1398 O GLU A 87 -1.530 2.447 12.561 1.00 12.34 O ATOM 1399 CB GLU A 87 -3.955 4.435 14.267 1.00 62.24 C ATOM 1400 CG GLU A 87 -2.959 5.571 14.110 1.00 4.43 C ATOM 1401 CD GLU A 87 -3.539 6.914 14.510 1.00 45.44 C ATOM 1402 OE1 GLU A 87 -4.522 7.349 13.875 1.00 43.34 O ATOM 1403 OE2 GLU A 87 -3.008 7.530 15.458 1.00 14.40 O ATOM 0 H GLU A 87 -5.252 2.340 14.403 1.00 44.34 H new ATOM 0 HA GLU A 87 -3.826 3.501 12.335 1.00 31.34 H new ATOM 0 HB2 GLU A 87 -4.954 4.804 14.037 1.00 62.24 H new ATOM 0 HB3 GLU A 87 -3.966 4.114 15.309 1.00 62.24 H new ATOM 0 HG2 GLU A 87 -2.078 5.364 14.718 1.00 4.43 H new ATOM 0 HG3 GLU A 87 -2.627 5.617 13.073 1.00 4.43 H new ATOM 1410 N LEU A 88 -1.689 2.896 14.760 1.00 3.44 N ATOM 1411 CA LEU A 88 -0.304 2.537 15.045 1.00 22.23 C ATOM 1412 C LEU A 88 -0.054 1.060 14.757 1.00 74.12 C ATOM 1413 O LEU A 88 1.069 0.656 14.455 1.00 11.53 O ATOM 1414 CB LEU A 88 0.035 2.847 16.504 1.00 14.53 C ATOM 1415 CG LEU A 88 -0.352 1.777 17.526 1.00 52.24 C ATOM 1416 CD1 LEU A 88 -1.831 1.442 17.413 1.00 33.11 C ATOM 1417 CD2 LEU A 88 0.496 0.528 17.336 1.00 33.11 C ATOM 0 H LEU A 88 -2.221 3.202 15.575 1.00 3.44 H new ATOM 0 HA LEU A 88 0.339 3.130 14.395 1.00 22.23 H new ATOM 0 HB2 LEU A 88 1.109 3.020 16.578 1.00 14.53 H new ATOM 0 HB3 LEU A 88 -0.457 3.779 16.780 1.00 14.53 H new ATOM 0 HG LEU A 88 -0.165 2.170 18.525 1.00 52.24 H new ATOM 0 HD11 LEU A 88 -2.088 0.679 18.148 1.00 33.11 H new ATOM 0 HD12 LEU A 88 -2.422 2.339 17.599 1.00 33.11 H new ATOM 0 HD13 LEU A 88 -2.044 1.068 16.412 1.00 33.11 H new ATOM 0 HD21 LEU A 88 0.207 -0.223 18.071 1.00 33.11 H new ATOM 0 HD22 LEU A 88 0.341 0.132 16.333 1.00 33.11 H new ATOM 0 HD23 LEU A 88 1.548 0.779 17.468 1.00 33.11 H new ATOM 1429 N VAL A 89 -1.110 0.258 14.849 1.00 32.43 N ATOM 1430 CA VAL A 89 -1.007 -1.174 14.595 1.00 21.41 C ATOM 1431 C VAL A 89 -0.663 -1.450 13.136 1.00 44.03 C ATOM 1432 O VAL A 89 -0.015 -2.448 12.818 1.00 53.33 O ATOM 1433 CB VAL A 89 -2.317 -1.903 14.949 1.00 60.15 C ATOM 1434 CG1 VAL A 89 -2.364 -3.270 14.283 1.00 72.01 C ATOM 1435 CG2 VAL A 89 -2.465 -2.030 16.457 1.00 31.32 C ATOM 0 H VAL A 89 -2.047 0.576 15.098 1.00 32.43 H new ATOM 0 HA VAL A 89 -0.207 -1.551 15.232 1.00 21.41 H new ATOM 0 HB VAL A 89 -3.154 -1.314 14.574 1.00 60.15 H new ATOM 0 HG11 VAL A 89 -3.296 -3.770 14.544 1.00 72.01 H new ATOM 0 HG12 VAL A 89 -2.308 -3.150 13.201 1.00 72.01 H new ATOM 0 HG13 VAL A 89 -1.522 -3.871 14.626 1.00 72.01 H new ATOM 0 HG21 VAL A 89 -3.396 -2.547 16.689 1.00 31.32 H new ATOM 0 HG22 VAL A 89 -1.625 -2.597 16.859 1.00 31.32 H new ATOM 0 HG23 VAL A 89 -2.480 -1.037 16.906 1.00 31.32 H new ATOM 1445 N ASP A 90 -1.099 -0.559 12.252 1.00 31.04 N ATOM 1446 CA ASP A 90 -0.836 -0.705 10.825 1.00 1.14 C ATOM 1447 C ASP A 90 0.589 -1.192 10.583 1.00 42.13 C ATOM 1448 O ASP A 90 0.806 -2.183 9.886 1.00 53.22 O ATOM 1449 CB ASP A 90 -1.063 0.625 10.105 1.00 74.24 C ATOM 1450 CG ASP A 90 -1.317 0.443 8.621 1.00 2.10 C ATOM 1451 OD1 ASP A 90 -0.538 -0.286 7.971 1.00 53.44 O ATOM 1452 OD2 ASP A 90 -2.294 1.029 8.110 1.00 31.14 O ATOM 0 H ASP A 90 -1.636 0.272 12.499 1.00 31.04 H new ATOM 0 HA ASP A 90 -1.527 -1.448 10.427 1.00 1.14 H new ATOM 0 HB2 ASP A 90 -1.912 1.139 10.556 1.00 74.24 H new ATOM 0 HB3 ASP A 90 -0.192 1.265 10.246 1.00 74.24 H new ATOM 1457 N GLN A 91 1.556 -0.488 11.162 1.00 45.45 N ATOM 1458 CA GLN A 91 2.961 -0.848 11.006 1.00 12.11 C ATOM 1459 C GLN A 91 3.326 -2.020 11.912 1.00 53.54 C ATOM 1460 O GLN A 91 3.739 -3.079 11.438 1.00 52.11 O ATOM 1461 CB GLN A 91 3.855 0.353 11.320 1.00 30.24 C ATOM 1462 CG GLN A 91 4.850 0.676 10.217 1.00 21.44 C ATOM 1463 CD GLN A 91 4.177 0.966 8.891 1.00 72.35 C ATOM 1464 OE1 GLN A 91 3.063 1.489 8.848 1.00 41.33 O ATOM 1465 NE2 GLN A 91 4.851 0.626 7.798 1.00 54.53 N ATOM 0 H GLN A 91 1.393 0.334 11.743 1.00 45.45 H new ATOM 0 HA GLN A 91 3.120 -1.149 9.971 1.00 12.11 H new ATOM 0 HB2 GLN A 91 3.227 1.226 11.498 1.00 30.24 H new ATOM 0 HB3 GLN A 91 4.400 0.158 12.244 1.00 30.24 H new ATOM 0 HG2 GLN A 91 5.448 1.538 10.513 1.00 21.44 H new ATOM 0 HG3 GLN A 91 5.537 -0.162 10.096 1.00 21.44 H new ATOM 0 HE21 GLN A 91 5.772 0.195 7.880 1.00 54.53 H new ATOM 0 HE22 GLN A 91 4.448 0.796 6.877 1.00 54.53 H new ATOM 1474 N LEU A 92 3.171 -1.823 13.216 1.00 2.33 N ATOM 1475 CA LEU A 92 3.485 -2.863 14.189 1.00 32.44 C ATOM 1476 C LEU A 92 3.186 -4.247 13.622 1.00 64.41 C ATOM 1477 O LEU A 92 4.042 -5.132 13.635 1.00 33.44 O ATOM 1478 CB LEU A 92 2.686 -2.644 15.475 1.00 2.25 C ATOM 1479 CG LEU A 92 2.689 -3.803 16.473 1.00 12.41 C ATOM 1480 CD1 LEU A 92 1.636 -4.834 16.096 1.00 1.45 C ATOM 1481 CD2 LEU A 92 4.067 -4.445 16.541 1.00 13.21 C ATOM 0 H LEU A 92 2.830 -0.953 13.624 1.00 2.33 H new ATOM 0 HA LEU A 92 4.550 -2.805 14.415 1.00 32.44 H new ATOM 0 HB2 LEU A 92 3.077 -1.759 15.976 1.00 2.25 H new ATOM 0 HB3 LEU A 92 1.653 -2.427 15.204 1.00 2.25 H new ATOM 0 HG LEU A 92 2.445 -3.409 17.460 1.00 12.41 H new ATOM 0 HD11 LEU A 92 1.653 -5.651 16.817 1.00 1.45 H new ATOM 0 HD12 LEU A 92 0.651 -4.367 16.100 1.00 1.45 H new ATOM 0 HD13 LEU A 92 1.849 -5.224 15.101 1.00 1.45 H new ATOM 0 HD21 LEU A 92 4.050 -5.268 17.256 1.00 13.21 H new ATOM 0 HD22 LEU A 92 4.340 -4.825 15.557 1.00 13.21 H new ATOM 0 HD23 LEU A 92 4.799 -3.703 16.859 1.00 13.21 H new ATOM 1493 N SER A 93 1.968 -4.426 13.122 1.00 71.12 N ATOM 1494 CA SER A 93 1.556 -5.703 12.551 1.00 53.14 C ATOM 1495 C SER A 93 2.411 -6.057 11.338 1.00 51.23 C ATOM 1496 O SER A 93 2.903 -7.179 11.217 1.00 62.02 O ATOM 1497 CB SER A 93 0.080 -5.654 12.151 1.00 34.44 C ATOM 1498 OG SER A 93 -0.657 -6.679 12.796 1.00 62.55 O ATOM 0 H SER A 93 1.249 -3.703 13.101 1.00 71.12 H new ATOM 0 HA SER A 93 1.695 -6.474 13.309 1.00 53.14 H new ATOM 0 HB2 SER A 93 -0.339 -4.682 12.411 1.00 34.44 H new ATOM 0 HB3 SER A 93 -0.011 -5.761 11.070 1.00 34.44 H new ATOM 0 HG SER A 93 -1.597 -6.625 12.525 1.00 62.55 H new ATOM 1504 N HIS A 94 2.583 -5.091 10.441 1.00 4.30 N ATOM 1505 CA HIS A 94 3.380 -5.299 9.237 1.00 54.23 C ATOM 1506 C HIS A 94 4.863 -5.406 9.578 1.00 52.22 C ATOM 1507 O HIS A 94 5.697 -5.624 8.699 1.00 43.52 O ATOM 1508 CB HIS A 94 3.153 -4.156 8.246 1.00 22.15 C ATOM 1509 CG HIS A 94 2.340 -4.551 7.052 1.00 2.21 C ATOM 1510 ND1 HIS A 94 1.312 -3.779 6.553 1.00 32.34 N ATOM 1511 CD2 HIS A 94 2.410 -5.643 6.255 1.00 10.32 C ATOM 1512 CE1 HIS A 94 0.783 -4.380 5.502 1.00 21.45 C ATOM 1513 NE2 HIS A 94 1.432 -5.513 5.300 1.00 11.02 N ATOM 0 H HIS A 94 2.181 -4.157 10.525 1.00 4.30 H new ATOM 0 HA HIS A 94 3.063 -6.236 8.779 1.00 54.23 H new ATOM 0 HB2 HIS A 94 2.654 -3.335 8.760 1.00 22.15 H new ATOM 0 HB3 HIS A 94 4.119 -3.781 7.909 1.00 22.15 H new ATOM 0 HD2 HIS A 94 3.105 -6.464 6.352 1.00 10.32 H new ATOM 0 HE1 HIS A 94 -0.040 -4.008 4.909 1.00 21.45 H new ATOM 0 HE2 HIS A 94 1.238 -6.183 4.555 1.00 11.02 H new ATOM 1521 N ILE A 95 5.183 -5.251 10.858 1.00 43.51 N ATOM 1522 CA ILE A 95 6.565 -5.330 11.314 1.00 64.10 C ATOM 1523 C ILE A 95 6.841 -6.662 12.003 1.00 30.04 C ATOM 1524 O ILE A 95 7.924 -7.232 11.865 1.00 1.33 O ATOM 1525 CB ILE A 95 6.905 -4.183 12.284 1.00 41.13 C ATOM 1526 CG1 ILE A 95 6.779 -2.833 11.575 1.00 14.32 C ATOM 1527 CG2 ILE A 95 8.307 -4.363 12.846 1.00 2.33 C ATOM 1528 CD1 ILE A 95 6.606 -1.667 12.523 1.00 4.43 C ATOM 0 H ILE A 95 4.504 -5.070 11.598 1.00 43.51 H new ATOM 0 HA ILE A 95 7.195 -5.244 10.428 1.00 64.10 H new ATOM 0 HB ILE A 95 6.197 -4.205 13.112 1.00 41.13 H new ATOM 0 HG12 ILE A 95 7.668 -2.667 10.966 1.00 14.32 H new ATOM 0 HG13 ILE A 95 5.928 -2.867 10.895 1.00 14.32 H new ATOM 0 HG21 ILE A 95 8.533 -3.545 13.530 1.00 2.33 H new ATOM 0 HG22 ILE A 95 8.365 -5.310 13.382 1.00 2.33 H new ATOM 0 HG23 ILE A 95 9.029 -4.363 12.029 1.00 2.33 H new ATOM 0 HD11 ILE A 95 6.523 -0.743 11.951 1.00 4.43 H new ATOM 0 HD12 ILE A 95 5.702 -1.810 13.115 1.00 4.43 H new ATOM 0 HD13 ILE A 95 7.468 -1.607 13.187 1.00 4.43 H new