USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 829 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot 90:sc= 1.04 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -4.76! C(o=-4.8!,f=-4.3!) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 33 THR OG1 : rot -10:sc= 0.972 USER MOD Single : A 34 TYR OH : rot 125:sc= 0.631 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0326 X(o=-0.033,f=0.41) USER MOD Single : A 43 ASN : amide:sc= -1.99! C(o=-2!,f=-1.2!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0653 X(o=-0.065,f=-0.065) USER MOD Single : A 59 THR OG1 : rot 180:sc=-0.00138 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 24:sc= 0.525 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.0788 X(o=-0.079,f=-0.26) USER MOD Single : A 75 SER OG : rot -75:sc= 1.34 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -6:sc= 0.848 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN : amide:sc= -0.505 K(o=-0.51,f=-2.2) USER MOD Single : A 103 MET CE :methyl 161:sc= -0.98 (180deg=-1.44) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 228 N ILE A 18 26.034 -2.738 9.152 1.00 0.00 N ATOM 229 CA ILE A 18 25.107 -2.003 8.301 1.00 0.00 C ATOM 230 C ILE A 18 25.129 -0.513 8.622 1.00 0.00 C ATOM 231 O ILE A 18 25.139 -0.119 9.788 1.00 0.00 O ATOM 232 CB ILE A 18 23.667 -2.529 8.452 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.605 -4.017 8.105 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.717 -1.733 7.569 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.410 -4.728 8.703 1.00 0.00 C ATOM 0 HA ILE A 18 25.435 -2.155 7.273 1.00 0.00 H new ATOM 0 HB ILE A 18 23.358 -2.405 9.490 1.00 0.00 H new ATOM 0 HG12 ILE A 18 23.579 -4.128 7.021 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.517 -4.501 8.453 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.703 -2.116 7.687 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.744 -0.683 7.860 1.00 0.00 H new ATOM 0 HG23 ILE A 18 23.022 -1.829 6.527 1.00 0.00 H new ATOM 0 HD11 ILE A 18 22.431 -5.779 8.416 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.445 -4.648 9.789 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.492 -4.269 8.335 1.00 0.00 H new ATOM 247 N ALA A 19 25.134 0.311 7.579 1.00 0.00 N ATOM 248 CA ALA A 19 25.151 1.759 7.750 1.00 0.00 C ATOM 249 C ALA A 19 23.953 2.229 8.568 1.00 0.00 C ATOM 250 O ALA A 19 24.103 2.988 9.525 1.00 0.00 O ATOM 251 CB ALA A 19 25.170 2.450 6.394 1.00 0.00 C ATOM 0 H ALA A 19 25.127 0.001 6.607 1.00 0.00 H new ATOM 0 HA ALA A 19 26.057 2.025 8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.183 3.531 6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.060 2.146 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.281 2.169 5.830 1.00 0.00 H new ATOM 257 N GLU A 20 22.764 1.773 8.184 1.00 0.00 N ATOM 258 CA GLU A 20 21.541 2.150 8.882 1.00 0.00 C ATOM 259 C GLU A 20 20.444 1.113 8.656 1.00 0.00 C ATOM 260 O GLU A 20 20.198 0.667 7.536 1.00 0.00 O ATOM 261 CB GLU A 20 21.061 3.525 8.413 1.00 0.00 C ATOM 262 CG GLU A 20 20.112 4.204 9.386 1.00 0.00 C ATOM 263 CD GLU A 20 20.819 4.729 10.620 1.00 0.00 C ATOM 264 OE1 GLU A 20 21.480 3.927 11.313 1.00 0.00 O ATOM 265 OE2 GLU A 20 20.711 5.943 10.893 1.00 0.00 O ATOM 0 H GLU A 20 22.623 1.143 7.394 1.00 0.00 H new ATOM 0 HA GLU A 20 21.762 2.195 9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.927 4.168 8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.564 3.417 7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.609 5.029 8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.340 3.497 9.688 1.00 0.00 H new ATOM 272 N PRO A 21 19.769 0.719 9.747 1.00 0.00 N ATOM 273 CA PRO A 21 18.689 -0.270 9.694 1.00 0.00 C ATOM 274 C PRO A 21 17.443 0.269 8.998 1.00 0.00 C ATOM 275 O PRO A 21 17.169 1.469 9.006 1.00 0.00 O ATOM 276 CB PRO A 21 18.396 -0.554 11.170 1.00 0.00 C ATOM 277 CG PRO A 21 18.834 0.676 11.886 1.00 0.00 C ATOM 278 CD PRO A 21 20.009 1.208 11.114 1.00 0.00 C ATOM 0 HA PRO A 21 18.973 -1.154 9.123 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.336 -0.751 11.333 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.940 -1.431 11.520 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.030 1.410 11.928 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.113 0.450 12.915 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.053 2.297 11.149 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.953 0.837 11.513 1.00 0.00 H new ATOM 286 N PRO A 22 16.670 -0.638 8.381 1.00 0.00 N ATOM 287 CA PRO A 22 15.441 -0.276 7.670 1.00 0.00 C ATOM 288 C PRO A 22 14.332 0.169 8.618 1.00 0.00 C ATOM 289 O PRO A 22 14.321 -0.197 9.793 1.00 0.00 O ATOM 290 CB PRO A 22 15.048 -1.574 6.959 1.00 0.00 C ATOM 291 CG PRO A 22 15.660 -2.656 7.780 1.00 0.00 C ATOM 292 CD PRO A 22 16.937 -2.085 8.332 1.00 0.00 C ATOM 0 HA PRO A 22 15.593 0.567 6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.965 -1.683 6.904 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.422 -1.594 5.936 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.990 -2.962 8.583 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.858 -3.541 7.175 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.162 -2.486 9.320 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.789 -2.315 7.693 1.00 0.00 H new ATOM 300 N LYS A 23 13.399 0.961 8.099 1.00 0.00 N ATOM 301 CA LYS A 23 12.284 1.455 8.898 1.00 0.00 C ATOM 302 C LYS A 23 11.229 2.109 8.013 1.00 0.00 C ATOM 303 O LYS A 23 11.550 2.924 7.147 1.00 0.00 O ATOM 304 CB LYS A 23 12.783 2.458 9.941 1.00 0.00 C ATOM 305 CG LYS A 23 11.665 3.179 10.675 1.00 0.00 C ATOM 306 CD LYS A 23 12.076 3.551 12.089 1.00 0.00 C ATOM 307 CE LYS A 23 13.132 4.645 12.093 1.00 0.00 C ATOM 308 NZ LYS A 23 13.459 5.096 13.475 1.00 0.00 N ATOM 0 H LYS A 23 13.393 1.274 7.128 1.00 0.00 H new ATOM 0 HA LYS A 23 11.830 0.605 9.408 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.405 1.935 10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.418 3.195 9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.390 4.080 10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.780 2.543 10.708 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.202 3.886 12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.462 2.669 12.601 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.036 4.279 11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.778 5.494 11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.182 5.842 13.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.602 5.469 13.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.821 4.292 14.026 1.00 0.00 H new ATOM 322 N ILE A 24 9.969 1.749 8.237 1.00 0.00 N ATOM 323 CA ILE A 24 8.867 2.303 7.461 1.00 0.00 C ATOM 324 C ILE A 24 8.074 3.317 8.279 1.00 0.00 C ATOM 325 O ILE A 24 7.191 2.949 9.054 1.00 0.00 O ATOM 326 CB ILE A 24 7.914 1.199 6.968 1.00 0.00 C ATOM 327 CG1 ILE A 24 8.690 0.134 6.190 1.00 0.00 C ATOM 328 CG2 ILE A 24 6.812 1.796 6.105 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.018 -1.221 6.185 1.00 0.00 C ATOM 0 H ILE A 24 9.687 1.076 8.950 1.00 0.00 H new ATOM 0 HA ILE A 24 9.308 2.802 6.598 1.00 0.00 H new ATOM 0 HB ILE A 24 7.453 0.725 7.834 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.820 0.470 5.161 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.686 0.035 6.621 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.147 1.003 5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.244 2.520 6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.255 2.294 5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.624 -1.926 5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.912 -1.579 7.209 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.033 -1.137 5.727 1.00 0.00 H new ATOM 341 N ARG A 25 8.394 4.594 8.099 1.00 0.00 N ATOM 342 CA ARG A 25 7.710 5.661 8.820 1.00 0.00 C ATOM 343 C ARG A 25 6.347 5.952 8.198 1.00 0.00 C ATOM 344 O ARG A 25 6.258 6.541 7.120 1.00 0.00 O ATOM 345 CB ARG A 25 8.563 6.931 8.822 1.00 0.00 C ATOM 346 CG ARG A 25 9.949 6.733 9.413 1.00 0.00 C ATOM 347 CD ARG A 25 9.918 6.770 10.933 1.00 0.00 C ATOM 348 NE ARG A 25 9.828 8.135 11.446 1.00 0.00 N ATOM 349 CZ ARG A 25 10.841 8.994 11.430 1.00 0.00 C ATOM 350 NH1 ARG A 25 12.014 8.631 10.931 1.00 0.00 N ATOM 351 NH2 ARG A 25 10.681 10.219 11.915 1.00 0.00 N ATOM 0 H ARG A 25 9.122 4.915 7.461 1.00 0.00 H new ATOM 0 HA ARG A 25 7.558 5.331 9.848 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.662 7.294 7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.044 7.706 9.386 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.355 5.778 9.080 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.618 7.510 9.043 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.067 6.191 11.292 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.816 6.294 11.326 1.00 0.00 H new ATOM 0 HE ARG A 25 8.939 8.445 11.838 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.140 7.690 10.558 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.790 9.293 10.920 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.780 10.501 12.300 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.459 10.878 11.902 1.00 0.00 H new ATOM 365 N LEU A 26 5.289 5.534 8.884 1.00 0.00 N ATOM 366 CA LEU A 26 3.930 5.748 8.399 1.00 0.00 C ATOM 367 C LEU A 26 3.354 7.049 8.949 1.00 0.00 C ATOM 368 O LEU A 26 3.590 7.424 10.098 1.00 0.00 O ATOM 369 CB LEU A 26 3.035 4.573 8.795 1.00 0.00 C ATOM 370 CG LEU A 26 3.070 3.359 7.866 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.678 2.098 8.621 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.153 3.575 6.671 1.00 0.00 C ATOM 0 H LEU A 26 5.346 5.045 9.777 1.00 0.00 H new ATOM 0 HA LEU A 26 3.966 5.819 7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.319 4.248 9.796 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.007 4.930 8.855 1.00 0.00 H new ATOM 0 HG LEU A 26 4.089 3.236 7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.708 1.244 7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.375 1.934 9.443 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.669 2.210 9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.191 2.701 6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.131 3.725 7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.480 4.454 6.116 1.00 0.00 H new ATOM 384 N PRO A 27 2.579 7.754 8.112 1.00 0.00 N ATOM 385 CA PRO A 27 1.951 9.023 8.494 1.00 0.00 C ATOM 386 C PRO A 27 0.840 8.833 9.521 1.00 0.00 C ATOM 387 O PRO A 27 0.735 7.780 10.149 1.00 0.00 O ATOM 388 CB PRO A 27 1.378 9.546 7.175 1.00 0.00 C ATOM 389 CG PRO A 27 1.163 8.327 6.345 1.00 0.00 C ATOM 390 CD PRO A 27 2.255 7.368 6.729 1.00 0.00 C ATOM 0 HA PRO A 27 2.660 9.704 8.966 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.445 10.085 7.335 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.067 10.238 6.691 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.180 7.895 6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.208 8.565 5.282 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.920 6.333 6.669 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.120 7.461 6.073 1.00 0.00 H new ATOM 398 N ARG A 28 0.011 9.860 9.685 1.00 0.00 N ATOM 399 CA ARG A 28 -1.092 9.806 10.636 1.00 0.00 C ATOM 400 C ARG A 28 -2.425 9.636 9.913 1.00 0.00 C ATOM 401 O ARG A 28 -3.468 9.462 10.544 1.00 0.00 O ATOM 402 CB ARG A 28 -1.121 11.075 11.489 1.00 0.00 C ATOM 403 CG ARG A 28 -1.976 10.950 12.739 1.00 0.00 C ATOM 404 CD ARG A 28 -2.547 12.295 13.161 1.00 0.00 C ATOM 405 NE ARG A 28 -3.597 12.153 14.166 1.00 0.00 N ATOM 406 CZ ARG A 28 -3.358 11.914 15.450 1.00 0.00 C ATOM 407 NH1 ARG A 28 -2.111 11.792 15.884 1.00 0.00 N ATOM 408 NH2 ARG A 28 -4.367 11.798 16.304 1.00 0.00 N ATOM 0 H ARG A 28 0.083 10.738 9.172 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.937 8.944 11.285 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.102 11.330 11.780 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.496 11.901 10.884 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.791 10.249 12.555 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.377 10.537 13.551 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.747 12.920 13.558 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.948 12.809 12.287 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.567 12.242 13.865 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.333 11.882 15.231 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.930 11.608 16.871 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.328 11.892 15.974 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.182 11.614 17.290 1.00 0.00 H new ATOM 422 N HIS A 29 -2.383 9.690 8.586 1.00 0.00 N ATOM 423 CA HIS A 29 -3.588 9.542 7.776 1.00 0.00 C ATOM 424 C HIS A 29 -3.683 8.134 7.196 1.00 0.00 C ATOM 425 O HIS A 29 -4.627 7.812 6.473 1.00 0.00 O ATOM 426 CB HIS A 29 -3.599 10.573 6.648 1.00 0.00 C ATOM 427 CG HIS A 29 -2.234 10.916 6.136 1.00 0.00 C ATOM 428 ND1 HIS A 29 -1.767 10.507 4.905 1.00 0.00 N ATOM 429 CD2 HIS A 29 -1.233 11.635 6.696 1.00 0.00 C ATOM 430 CE1 HIS A 29 -0.538 10.959 4.730 1.00 0.00 C ATOM 431 NE2 HIS A 29 -0.191 11.647 5.803 1.00 0.00 N ATOM 0 H HIS A 29 -1.528 9.835 8.048 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.452 9.710 8.419 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.202 10.191 5.824 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.084 11.482 7.003 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.251 12.111 7.665 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.078 10.794 3.858 1.00 0.00 H new ATOM 0 HE2 HIS A 29 0.706 12.112 5.945 1.00 0.00 H new ATOM 440 N LEU A 30 -2.701 7.300 7.517 1.00 0.00 N ATOM 441 CA LEU A 30 -2.673 5.926 7.026 1.00 0.00 C ATOM 442 C LEU A 30 -2.712 4.934 8.184 1.00 0.00 C ATOM 443 O LEU A 30 -2.705 3.721 7.976 1.00 0.00 O ATOM 444 CB LEU A 30 -1.421 5.691 6.180 1.00 0.00 C ATOM 445 CG LEU A 30 -1.357 6.446 4.852 1.00 0.00 C ATOM 446 CD1 LEU A 30 -0.025 6.198 4.161 1.00 0.00 C ATOM 447 CD2 LEU A 30 -2.512 6.038 3.950 1.00 0.00 C ATOM 0 H LEU A 30 -1.913 7.550 8.115 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.556 5.769 6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.549 5.966 6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.342 4.624 5.972 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.443 7.513 5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.003 6.743 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.787 6.541 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.091 5.132 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.450 6.585 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.458 4.968 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.457 6.268 4.442 1.00 0.00 H new ATOM 459 N ARG A 31 -2.755 5.458 9.405 1.00 0.00 N ATOM 460 CA ARG A 31 -2.797 4.619 10.596 1.00 0.00 C ATOM 461 C ARG A 31 -4.144 3.914 10.718 1.00 0.00 C ATOM 462 O ARG A 31 -4.205 2.706 10.948 1.00 0.00 O ATOM 463 CB ARG A 31 -2.533 5.458 11.847 1.00 0.00 C ATOM 464 CG ARG A 31 -1.182 6.154 11.840 1.00 0.00 C ATOM 465 CD ARG A 31 -0.886 6.809 13.180 1.00 0.00 C ATOM 466 NE ARG A 31 -0.216 5.894 14.101 1.00 0.00 N ATOM 467 CZ ARG A 31 0.296 6.269 15.267 1.00 0.00 C ATOM 468 NH1 ARG A 31 0.216 7.535 15.654 1.00 0.00 N ATOM 469 NH2 ARG A 31 0.890 5.378 16.050 1.00 0.00 N ATOM 0 H ARG A 31 -2.762 6.460 9.595 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.018 3.862 10.504 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.318 6.208 11.943 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.597 4.815 12.725 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.400 5.431 11.607 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.164 6.908 11.053 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.261 7.688 13.023 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.817 7.156 13.627 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.137 4.913 13.833 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.240 8.223 15.055 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.610 7.820 16.550 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.954 4.403 15.756 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.283 5.668 16.946 1.00 0.00 H new ATOM 483 N GLN A 32 -5.221 4.677 10.562 1.00 0.00 N ATOM 484 CA GLN A 32 -6.568 4.125 10.656 1.00 0.00 C ATOM 485 C GLN A 32 -7.034 3.593 9.305 1.00 0.00 C ATOM 486 O GLN A 32 -7.202 2.386 9.125 1.00 0.00 O ATOM 487 CB GLN A 32 -7.543 5.189 11.163 1.00 0.00 C ATOM 488 CG GLN A 32 -7.266 5.639 12.588 1.00 0.00 C ATOM 489 CD GLN A 32 -8.224 6.717 13.056 1.00 0.00 C ATOM 490 OE1 GLN A 32 -9.351 6.815 12.571 1.00 0.00 O ATOM 491 NE2 GLN A 32 -7.780 7.533 14.005 1.00 0.00 N ATOM 0 H GLN A 32 -5.188 5.678 10.370 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.546 3.296 11.363 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.498 6.055 10.502 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.558 4.796 11.106 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.336 4.781 13.256 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.244 6.012 12.655 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.838 7.416 14.379 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.381 8.277 14.360 1.00 0.00 H new ATOM 500 N THR A 33 -7.241 4.501 8.356 1.00 0.00 N ATOM 501 CA THR A 33 -7.689 4.123 7.022 1.00 0.00 C ATOM 502 C THR A 33 -7.586 5.297 6.055 1.00 0.00 C ATOM 503 O THR A 33 -7.634 6.457 6.464 1.00 0.00 O ATOM 504 CB THR A 33 -9.142 3.614 7.040 1.00 0.00 C ATOM 505 OG1 THR A 33 -9.207 2.340 7.691 1.00 0.00 O ATOM 506 CG2 THR A 33 -9.692 3.496 5.627 1.00 0.00 C ATOM 0 H THR A 33 -7.105 5.503 8.487 1.00 0.00 H new ATOM 0 HA THR A 33 -7.035 3.319 6.685 1.00 0.00 H new ATOM 0 HB THR A 33 -9.749 4.334 7.590 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.299 2.001 7.837 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.720 3.135 5.666 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.669 4.473 5.145 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.082 2.795 5.057 1.00 0.00 H new ATOM 514 N TYR A 34 -7.445 4.989 4.771 1.00 0.00 N ATOM 515 CA TYR A 34 -7.333 6.019 3.745 1.00 0.00 C ATOM 516 C TYR A 34 -8.625 6.130 2.941 1.00 0.00 C ATOM 517 O TYR A 34 -8.853 5.363 2.004 1.00 0.00 O ATOM 518 CB TYR A 34 -6.162 5.713 2.810 1.00 0.00 C ATOM 519 CG TYR A 34 -5.539 6.947 2.196 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.080 7.988 2.993 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.412 7.072 0.818 1.00 0.00 C ATOM 522 CE1 TYR A 34 -4.511 9.117 2.437 1.00 0.00 C ATOM 523 CE2 TYR A 34 -4.843 8.197 0.253 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.394 9.216 1.066 1.00 0.00 C ATOM 525 OH TYR A 34 -3.828 10.339 0.506 1.00 0.00 O ATOM 0 H TYR A 34 -7.405 4.034 4.415 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.152 6.972 4.242 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.398 5.168 3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.507 5.055 2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.170 7.913 4.067 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.764 6.276 0.178 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.160 9.917 3.072 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.750 8.278 -0.820 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.087 10.075 -0.079 1.00 0.00 H new ATOM 535 N ILE A 35 -9.466 7.088 3.313 1.00 0.00 N ATOM 536 CA ILE A 35 -10.734 7.301 2.627 1.00 0.00 C ATOM 537 C ILE A 35 -10.570 8.261 1.454 1.00 0.00 C ATOM 538 O ILE A 35 -10.138 9.401 1.627 1.00 0.00 O ATOM 539 CB ILE A 35 -11.806 7.855 3.583 1.00 0.00 C ATOM 540 CG1 ILE A 35 -11.931 6.961 4.818 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.145 7.970 2.869 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.408 5.560 4.505 1.00 0.00 C ATOM 0 H ILE A 35 -9.292 7.730 4.086 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.058 6.329 2.255 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.502 8.850 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.962 6.904 5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.623 7.423 5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.892 8.363 3.558 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.047 8.644 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.456 6.986 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.473 4.983 5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.391 5.607 4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.704 5.079 3.825 1.00 0.00 H new ATOM 554 N ARG A 36 -10.919 7.794 0.260 1.00 0.00 N ATOM 555 CA ARG A 36 -10.810 8.611 -0.943 1.00 0.00 C ATOM 556 C ARG A 36 -11.904 8.252 -1.945 1.00 0.00 C ATOM 557 O ARG A 36 -12.343 7.104 -2.016 1.00 0.00 O ATOM 558 CB ARG A 36 -9.435 8.430 -1.587 1.00 0.00 C ATOM 559 CG ARG A 36 -8.391 9.412 -1.081 1.00 0.00 C ATOM 560 CD ARG A 36 -8.459 10.732 -1.833 1.00 0.00 C ATOM 561 NE ARG A 36 -7.478 11.695 -1.339 1.00 0.00 N ATOM 562 CZ ARG A 36 -7.458 12.974 -1.697 1.00 0.00 C ATOM 563 NH1 ARG A 36 -8.360 13.441 -2.549 1.00 0.00 N ATOM 564 NH2 ARG A 36 -6.534 13.788 -1.204 1.00 0.00 N ATOM 0 H ARG A 36 -11.280 6.854 0.100 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.933 9.655 -0.654 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.087 7.414 -1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.532 8.540 -2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.543 9.590 -0.016 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.397 8.979 -1.193 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.289 10.553 -2.895 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.460 11.153 -1.737 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.769 11.367 -0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.071 12.818 -2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.343 14.424 -2.822 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.838 13.432 -0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.520 14.770 -1.480 1.00 0.00 H new ATOM 578 N LYS A 37 -12.340 9.242 -2.716 1.00 0.00 N ATOM 579 CA LYS A 37 -13.382 9.032 -3.715 1.00 0.00 C ATOM 580 C LYS A 37 -12.816 8.350 -4.957 1.00 0.00 C ATOM 581 O LYS A 37 -11.610 8.388 -5.202 1.00 0.00 O ATOM 582 CB LYS A 37 -14.024 10.367 -4.101 1.00 0.00 C ATOM 583 CG LYS A 37 -15.147 10.792 -3.172 1.00 0.00 C ATOM 584 CD LYS A 37 -15.992 11.895 -3.787 1.00 0.00 C ATOM 585 CE LYS A 37 -15.178 13.160 -4.013 1.00 0.00 C ATOM 586 NZ LYS A 37 -15.816 14.059 -5.015 1.00 0.00 N ATOM 0 H LYS A 37 -11.988 10.198 -2.669 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.142 8.383 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.257 11.141 -4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.412 10.294 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.778 9.933 -2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.728 11.138 -2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.405 11.552 -4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.836 12.116 -3.133 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.064 13.692 -3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.177 12.892 -4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.231 14.909 -5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.902 13.560 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.761 14.336 -4.681 1.00 0.00 H new ATOM 600 N VAL A 38 -13.694 7.729 -5.737 1.00 0.00 N ATOM 601 CA VAL A 38 -13.282 7.042 -6.955 1.00 0.00 C ATOM 602 C VAL A 38 -12.970 8.035 -8.069 1.00 0.00 C ATOM 603 O VAL A 38 -13.397 9.188 -8.024 1.00 0.00 O ATOM 604 CB VAL A 38 -14.368 6.065 -7.444 1.00 0.00 C ATOM 605 CG1 VAL A 38 -14.848 5.184 -6.300 1.00 0.00 C ATOM 606 CG2 VAL A 38 -15.529 6.827 -8.064 1.00 0.00 C ATOM 0 H VAL A 38 -14.695 7.687 -5.547 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.381 6.480 -6.710 1.00 0.00 H new ATOM 0 HB VAL A 38 -13.935 5.421 -8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.615 4.500 -6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.009 4.611 -5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.265 5.809 -5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.287 6.121 -8.404 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -15.963 7.496 -7.321 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.170 7.410 -8.912 1.00 0.00 H new ATOM 616 N GLY A 39 -12.220 7.580 -9.068 1.00 0.00 N ATOM 617 CA GLY A 39 -11.863 8.441 -10.180 1.00 0.00 C ATOM 618 C GLY A 39 -10.696 9.353 -9.856 1.00 0.00 C ATOM 619 O GLY A 39 -9.830 9.585 -10.698 1.00 0.00 O ATOM 0 H GLY A 39 -11.853 6.630 -9.127 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.611 7.827 -11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.726 9.046 -10.459 1.00 0.00 H new ATOM 623 N GLU A 40 -10.675 9.872 -8.632 1.00 0.00 N ATOM 624 CA GLU A 40 -9.607 10.766 -8.200 1.00 0.00 C ATOM 625 C GLU A 40 -8.256 10.059 -8.243 1.00 0.00 C ATOM 626 O GLU A 40 -8.173 8.876 -8.572 1.00 0.00 O ATOM 627 CB GLU A 40 -9.882 11.280 -6.786 1.00 0.00 C ATOM 628 CG GLU A 40 -10.767 12.514 -6.748 1.00 0.00 C ATOM 629 CD GLU A 40 -10.011 13.784 -7.087 1.00 0.00 C ATOM 630 OE1 GLU A 40 -8.929 13.683 -7.702 1.00 0.00 O ATOM 631 OE2 GLU A 40 -10.501 14.878 -6.738 1.00 0.00 O ATOM 0 H GLU A 40 -11.385 9.689 -7.923 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.577 11.613 -8.886 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.354 10.487 -6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.933 11.509 -6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.591 12.388 -7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.206 12.611 -5.755 1.00 0.00 H new ATOM 638 N GLN A 41 -7.199 10.793 -7.907 1.00 0.00 N ATOM 639 CA GLN A 41 -5.852 10.236 -7.908 1.00 0.00 C ATOM 640 C GLN A 41 -5.419 9.854 -6.497 1.00 0.00 C ATOM 641 O GLN A 41 -5.611 10.618 -5.549 1.00 0.00 O ATOM 642 CB GLN A 41 -4.863 11.240 -8.503 1.00 0.00 C ATOM 643 CG GLN A 41 -5.110 11.540 -9.973 1.00 0.00 C ATOM 644 CD GLN A 41 -4.577 12.896 -10.390 1.00 0.00 C ATOM 645 OE1 GLN A 41 -3.541 12.993 -11.049 1.00 0.00 O ATOM 646 NE2 GLN A 41 -5.283 13.954 -10.008 1.00 0.00 N ATOM 0 H GLN A 41 -7.250 11.774 -7.631 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.859 9.335 -8.522 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.917 12.170 -7.937 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.851 10.854 -8.385 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.641 10.767 -10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.181 11.497 -10.174 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.136 13.828 -9.463 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.972 14.892 -10.260 1.00 0.00 H new ATOM 655 N LEU A 42 -4.835 8.669 -6.362 1.00 0.00 N ATOM 656 CA LEU A 42 -4.375 8.185 -5.065 1.00 0.00 C ATOM 657 C LEU A 42 -2.919 8.570 -4.826 1.00 0.00 C ATOM 658 O LEU A 42 -2.006 7.956 -5.376 1.00 0.00 O ATOM 659 CB LEU A 42 -4.534 6.666 -4.980 1.00 0.00 C ATOM 660 CG LEU A 42 -5.881 6.160 -4.464 1.00 0.00 C ATOM 661 CD1 LEU A 42 -6.064 4.688 -4.801 1.00 0.00 C ATOM 662 CD2 LEU A 42 -5.996 6.383 -2.963 1.00 0.00 C ATOM 0 H LEU A 42 -4.669 8.025 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.986 8.652 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.367 6.247 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.749 6.274 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.672 6.726 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.028 4.346 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.028 4.555 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.267 4.107 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.961 6.017 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.197 5.845 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.912 7.448 -2.746 1.00 0.00 H new ATOM 674 N ASN A 43 -2.710 9.589 -3.998 1.00 0.00 N ATOM 675 CA ASN A 43 -1.364 10.055 -3.684 1.00 0.00 C ATOM 676 C ASN A 43 -0.953 9.623 -2.280 1.00 0.00 C ATOM 677 O ASN A 43 -1.545 10.050 -1.288 1.00 0.00 O ATOM 678 CB ASN A 43 -1.288 11.578 -3.804 1.00 0.00 C ATOM 679 CG ASN A 43 -1.679 12.279 -2.517 1.00 0.00 C ATOM 680 OD1 ASN A 43 -2.833 12.667 -2.335 1.00 0.00 O ATOM 681 ND2 ASN A 43 -0.717 12.445 -1.618 1.00 0.00 N ATOM 0 H ASN A 43 -3.455 10.107 -3.533 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.675 9.606 -4.399 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.274 11.868 -4.079 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.944 11.910 -4.609 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.920 12.910 -0.733 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.226 12.107 -1.812 1.00 0.00 H new ATOM 688 N LEU A 44 0.066 8.773 -2.203 1.00 0.00 N ATOM 689 CA LEU A 44 0.558 8.283 -0.920 1.00 0.00 C ATOM 690 C LEU A 44 2.069 8.459 -0.813 1.00 0.00 C ATOM 691 O LEU A 44 2.823 7.976 -1.658 1.00 0.00 O ATOM 692 CB LEU A 44 0.191 6.809 -0.741 1.00 0.00 C ATOM 693 CG LEU A 44 -1.244 6.425 -1.103 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.312 4.973 -1.550 1.00 0.00 C ATOM 695 CD2 LEU A 44 -2.174 6.666 0.077 1.00 0.00 C ATOM 0 H LEU A 44 0.567 8.409 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 44 0.086 8.868 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.870 6.210 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.368 6.535 0.299 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.570 7.054 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.341 4.718 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.677 4.831 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.967 4.327 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.191 6.387 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.850 6.063 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.148 7.721 0.351 1.00 0.00 H new ATOM 707 N VAL A 45 2.506 9.154 0.232 1.00 0.00 N ATOM 708 CA VAL A 45 3.928 9.392 0.452 1.00 0.00 C ATOM 709 C VAL A 45 4.387 8.792 1.777 1.00 0.00 C ATOM 710 O VAL A 45 4.295 9.431 2.825 1.00 0.00 O ATOM 711 CB VAL A 45 4.253 10.897 0.443 1.00 0.00 C ATOM 712 CG1 VAL A 45 5.733 11.125 0.712 1.00 0.00 C ATOM 713 CG2 VAL A 45 3.841 11.522 -0.881 1.00 0.00 C ATOM 0 H VAL A 45 1.896 9.562 0.940 1.00 0.00 H new ATOM 0 HA VAL A 45 4.460 8.908 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 45 3.685 11.379 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.944 12.194 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.993 10.713 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.323 10.631 -0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.078 12.586 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.381 11.038 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.769 11.390 -1.028 1.00 0.00 H new ATOM 723 N VAL A 46 4.883 7.560 1.722 1.00 0.00 N ATOM 724 CA VAL A 46 5.358 6.873 2.917 1.00 0.00 C ATOM 725 C VAL A 46 6.880 6.908 3.002 1.00 0.00 C ATOM 726 O VAL A 46 7.581 6.152 2.329 1.00 0.00 O ATOM 727 CB VAL A 46 4.886 5.408 2.948 1.00 0.00 C ATOM 728 CG1 VAL A 46 4.960 4.852 4.362 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.475 5.291 2.393 1.00 0.00 C ATOM 0 H VAL A 46 4.966 7.017 0.862 1.00 0.00 H new ATOM 0 HA VAL A 46 4.937 7.400 3.773 1.00 0.00 H new ATOM 0 HB VAL A 46 5.550 4.818 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.622 3.816 4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.989 4.899 4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.322 5.443 5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.158 4.249 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.796 5.894 2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.459 5.646 1.363 1.00 0.00 H new ATOM 739 N PRO A 47 7.405 7.806 3.848 1.00 0.00 N ATOM 740 CA PRO A 47 8.850 7.960 4.043 1.00 0.00 C ATOM 741 C PRO A 47 9.468 6.769 4.767 1.00 0.00 C ATOM 742 O PRO A 47 8.825 6.138 5.606 1.00 0.00 O ATOM 743 CB PRO A 47 8.960 9.223 4.900 1.00 0.00 C ATOM 744 CG PRO A 47 7.659 9.307 5.620 1.00 0.00 C ATOM 745 CD PRO A 47 6.629 8.739 4.682 1.00 0.00 C ATOM 0 HA PRO A 47 9.384 8.024 3.095 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.795 9.156 5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.129 10.106 4.284 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.692 8.743 6.552 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.423 10.339 5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.832 8.228 5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.159 9.518 4.082 1.00 0.00 H new ATOM 753 N PHE A 48 10.720 6.467 4.439 1.00 0.00 N ATOM 754 CA PHE A 48 11.425 5.351 5.059 1.00 0.00 C ATOM 755 C PHE A 48 12.900 5.684 5.260 1.00 0.00 C ATOM 756 O PHE A 48 13.451 6.546 4.576 1.00 0.00 O ATOM 757 CB PHE A 48 11.287 4.093 4.199 1.00 0.00 C ATOM 758 CG PHE A 48 11.856 4.246 2.818 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.223 4.172 2.605 1.00 0.00 C ATOM 760 CD2 PHE A 48 11.023 4.462 1.732 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.749 4.313 1.334 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.543 4.604 0.459 1.00 0.00 C ATOM 763 CZ PHE A 48 12.908 4.528 0.260 1.00 0.00 C ATOM 0 H PHE A 48 11.267 6.979 3.747 1.00 0.00 H new ATOM 0 HA PHE A 48 10.976 5.167 6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.787 3.264 4.699 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.232 3.829 4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 48 13.885 4.002 3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.955 4.520 1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.817 4.255 1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.883 4.774 -0.379 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.317 4.637 -0.734 1.00 0.00 H new ATOM 773 N GLN A 49 13.533 4.995 6.204 1.00 0.00 N ATOM 774 CA GLN A 49 14.944 5.218 6.497 1.00 0.00 C ATOM 775 C GLN A 49 15.738 3.923 6.367 1.00 0.00 C ATOM 776 O GLN A 49 15.200 2.832 6.549 1.00 0.00 O ATOM 777 CB GLN A 49 15.110 5.794 7.904 1.00 0.00 C ATOM 778 CG GLN A 49 14.408 7.128 8.103 1.00 0.00 C ATOM 779 CD GLN A 49 15.290 8.309 7.749 1.00 0.00 C ATOM 780 OE1 GLN A 49 16.208 8.192 6.937 1.00 0.00 O ATOM 781 NE2 GLN A 49 15.016 9.456 8.358 1.00 0.00 N ATOM 0 H GLN A 49 13.091 4.278 6.779 1.00 0.00 H new ATOM 0 HA GLN A 49 15.331 5.934 5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.723 5.078 8.629 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.172 5.917 8.114 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.507 7.155 7.490 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.090 7.215 9.142 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.246 9.508 9.024 1.00 0.00 H new ATOM 0 HE22 GLN A 49 15.576 10.285 8.160 1.00 0.00 H new ATOM 790 N GLY A 50 17.024 4.052 6.052 1.00 0.00 N ATOM 791 CA GLY A 50 17.871 2.883 5.902 1.00 0.00 C ATOM 792 C GLY A 50 19.090 3.157 5.044 1.00 0.00 C ATOM 793 O GLY A 50 19.093 4.085 4.234 1.00 0.00 O ATOM 0 H GLY A 50 17.494 4.944 5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.192 2.542 6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.292 2.073 5.458 1.00 0.00 H new ATOM 797 N LYS A 51 20.130 2.349 5.220 1.00 0.00 N ATOM 798 CA LYS A 51 21.361 2.508 4.456 1.00 0.00 C ATOM 799 C LYS A 51 22.080 1.172 4.298 1.00 0.00 C ATOM 800 O LYS A 51 21.840 0.219 5.039 1.00 0.00 O ATOM 801 CB LYS A 51 22.285 3.518 5.141 1.00 0.00 C ATOM 802 CG LYS A 51 22.089 4.945 4.660 1.00 0.00 C ATOM 803 CD LYS A 51 22.387 5.950 5.760 1.00 0.00 C ATOM 804 CE LYS A 51 23.851 6.364 5.755 1.00 0.00 C ATOM 805 NZ LYS A 51 24.046 7.721 6.335 1.00 0.00 N ATOM 0 H LYS A 51 20.144 1.577 5.886 1.00 0.00 H new ATOM 0 HA LYS A 51 21.098 2.879 3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.117 3.480 6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.321 3.225 4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 51 22.740 5.135 3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.064 5.076 4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.758 6.831 5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 51 22.133 5.518 6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 51 24.435 5.639 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 51 24.229 6.348 4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 25.057 7.966 6.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 23.509 8.417 5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.709 7.730 7.319 1.00 0.00 H new ATOM 819 N PRO A 52 22.984 1.098 3.310 1.00 0.00 N ATOM 820 CA PRO A 52 23.278 2.225 2.420 1.00 0.00 C ATOM 821 C PRO A 52 22.123 2.533 1.473 1.00 0.00 C ATOM 822 O PRO A 52 21.683 3.678 1.366 1.00 0.00 O ATOM 823 CB PRO A 52 24.502 1.748 1.634 1.00 0.00 C ATOM 824 CG PRO A 52 24.413 0.261 1.663 1.00 0.00 C ATOM 825 CD PRO A 52 23.789 -0.092 2.985 1.00 0.00 C ATOM 0 HA PRO A 52 23.445 3.149 2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.488 2.126 0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.427 2.098 2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.809 -0.110 0.835 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.400 -0.191 1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.172 -0.987 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.544 -0.287 3.747 1.00 0.00 H new ATOM 833 N ARG A 53 21.636 1.504 0.787 1.00 0.00 N ATOM 834 CA ARG A 53 20.533 1.665 -0.152 1.00 0.00 C ATOM 835 C ARG A 53 19.449 0.620 0.098 1.00 0.00 C ATOM 836 O ARG A 53 19.483 -0.486 -0.442 1.00 0.00 O ATOM 837 CB ARG A 53 21.040 1.556 -1.591 1.00 0.00 C ATOM 838 CG ARG A 53 20.134 2.230 -2.609 1.00 0.00 C ATOM 839 CD ARG A 53 20.819 2.367 -3.959 1.00 0.00 C ATOM 840 NE ARG A 53 20.595 1.200 -4.808 1.00 0.00 N ATOM 841 CZ ARG A 53 20.767 1.205 -6.125 1.00 0.00 C ATOM 842 NH1 ARG A 53 21.163 2.310 -6.741 1.00 0.00 N ATOM 843 NH2 ARG A 53 20.544 0.102 -6.829 1.00 0.00 N ATOM 0 H ARG A 53 21.988 0.550 0.864 1.00 0.00 H new ATOM 0 HA ARG A 53 20.101 2.654 -0.000 1.00 0.00 H new ATOM 0 HB2 ARG A 53 22.034 2.000 -1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 53 21.145 0.503 -1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 53 19.218 1.651 -2.722 1.00 0.00 H new ATOM 0 HG3 ARG A 53 19.845 3.216 -2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 53 20.449 3.259 -4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 53 21.890 2.506 -3.810 1.00 0.00 H new ATOM 0 HE ARG A 53 20.290 0.333 -4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 53 21.336 3.159 -6.203 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.294 2.311 -7.753 1.00 0.00 H new ATOM 0 HH21 ARG A 53 20.240 -0.751 -6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 53 20.676 0.107 -7.840 1.00 0.00 H new ATOM 857 N PRO A 54 18.465 0.976 0.936 1.00 0.00 N ATOM 858 CA PRO A 54 17.353 0.084 1.277 1.00 0.00 C ATOM 859 C PRO A 54 16.406 -0.137 0.102 1.00 0.00 C ATOM 860 O PRO A 54 15.839 0.814 -0.436 1.00 0.00 O ATOM 861 CB PRO A 54 16.637 0.825 2.409 1.00 0.00 C ATOM 862 CG PRO A 54 16.973 2.260 2.194 1.00 0.00 C ATOM 863 CD PRO A 54 18.361 2.279 1.616 1.00 0.00 C ATOM 0 HA PRO A 54 17.700 -0.912 1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.560 0.661 2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.978 0.481 3.385 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.261 2.730 1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.933 2.815 3.131 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.495 3.107 0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 54 19.118 2.389 2.392 1.00 0.00 H new ATOM 871 N GLN A 55 16.240 -1.396 -0.289 1.00 0.00 N ATOM 872 CA GLN A 55 15.361 -1.740 -1.401 1.00 0.00 C ATOM 873 C GLN A 55 13.899 -1.711 -0.968 1.00 0.00 C ATOM 874 O GLN A 55 13.553 -2.179 0.117 1.00 0.00 O ATOM 875 CB GLN A 55 15.716 -3.123 -1.950 1.00 0.00 C ATOM 876 CG GLN A 55 15.184 -3.376 -3.352 1.00 0.00 C ATOM 877 CD GLN A 55 15.924 -2.580 -4.409 1.00 0.00 C ATOM 878 OE1 GLN A 55 17.094 -2.839 -4.692 1.00 0.00 O ATOM 879 NE2 GLN A 55 15.244 -1.604 -4.999 1.00 0.00 N ATOM 0 H GLN A 55 16.702 -2.194 0.147 1.00 0.00 H new ATOM 0 HA GLN A 55 15.503 -0.998 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.800 -3.235 -1.956 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.321 -3.884 -1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.264 -4.439 -3.581 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.125 -3.121 -3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.276 -1.424 -4.733 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.690 -1.034 -5.718 1.00 0.00 H new ATOM 888 N VAL A 56 13.044 -1.159 -1.823 1.00 0.00 N ATOM 889 CA VAL A 56 11.619 -1.070 -1.529 1.00 0.00 C ATOM 890 C VAL A 56 10.837 -2.150 -2.268 1.00 0.00 C ATOM 891 O VAL A 56 11.117 -2.451 -3.428 1.00 0.00 O ATOM 892 CB VAL A 56 11.053 0.311 -1.911 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.565 0.382 -1.602 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.809 1.415 -1.189 1.00 0.00 C ATOM 0 H VAL A 56 13.314 -0.767 -2.725 1.00 0.00 H new ATOM 0 HA VAL A 56 11.507 -1.216 -0.455 1.00 0.00 H new ATOM 0 HB VAL A 56 11.184 0.454 -2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.182 1.365 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.038 -0.385 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.406 0.218 -0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.396 2.383 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.712 1.278 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.863 1.376 -1.466 1.00 0.00 H new ATOM 904 N VAL A 57 9.853 -2.730 -1.588 1.00 0.00 N ATOM 905 CA VAL A 57 9.029 -3.777 -2.180 1.00 0.00 C ATOM 906 C VAL A 57 7.545 -3.463 -2.022 1.00 0.00 C ATOM 907 O VAL A 57 7.057 -3.269 -0.908 1.00 0.00 O ATOM 908 CB VAL A 57 9.322 -5.149 -1.546 1.00 0.00 C ATOM 909 CG1 VAL A 57 8.531 -6.242 -2.248 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.813 -5.447 -1.588 1.00 0.00 C ATOM 0 H VAL A 57 9.607 -2.493 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 57 9.279 -3.815 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 57 9.009 -5.122 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.751 -7.204 -1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.465 -6.033 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.809 -6.273 -3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.002 -6.421 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.153 -5.456 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.353 -4.679 -1.035 1.00 0.00 H new ATOM 920 N TRP A 58 6.834 -3.414 -3.142 1.00 0.00 N ATOM 921 CA TRP A 58 5.404 -3.124 -3.128 1.00 0.00 C ATOM 922 C TRP A 58 4.593 -4.367 -3.477 1.00 0.00 C ATOM 923 O TRP A 58 4.890 -5.062 -4.449 1.00 0.00 O ATOM 924 CB TRP A 58 5.082 -1.997 -4.110 1.00 0.00 C ATOM 925 CG TRP A 58 5.296 -0.629 -3.535 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.335 0.217 -3.799 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.452 0.049 -2.598 1.00 0.00 C ATOM 928 NE1 TRP A 58 6.187 1.381 -3.083 1.00 0.00 N ATOM 929 CE2 TRP A 58 5.039 1.302 -2.339 1.00 0.00 C ATOM 930 CE3 TRP A 58 3.256 -0.281 -1.955 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.471 2.224 -1.463 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.693 0.635 -1.086 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.300 1.875 -0.847 1.00 0.00 C ATOM 0 H TRP A 58 7.223 -3.571 -4.072 1.00 0.00 H new ATOM 0 HA TRP A 58 5.132 -2.807 -2.121 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.703 -2.111 -4.999 1.00 0.00 H new ATOM 0 HB3 TRP A 58 4.045 -2.090 -4.431 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.153 0.003 -4.471 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.828 2.175 -3.102 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.780 -1.234 -2.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.938 3.180 -1.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.769 0.391 -0.583 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.834 2.569 -0.163 1.00 0.00 H new ATOM 944 N THR A 59 3.566 -4.642 -2.679 1.00 0.00 N ATOM 945 CA THR A 59 2.712 -5.801 -2.903 1.00 0.00 C ATOM 946 C THR A 59 1.308 -5.564 -2.359 1.00 0.00 C ATOM 947 O THR A 59 1.132 -4.907 -1.333 1.00 0.00 O ATOM 948 CB THR A 59 3.299 -7.066 -2.248 1.00 0.00 C ATOM 949 OG1 THR A 59 3.607 -6.807 -0.873 1.00 0.00 O ATOM 950 CG2 THR A 59 4.553 -7.522 -2.977 1.00 0.00 C ATOM 0 H THR A 59 3.306 -4.077 -1.871 1.00 0.00 H new ATOM 0 HA THR A 59 2.659 -5.951 -3.981 1.00 0.00 H new ATOM 0 HB THR A 59 2.554 -7.860 -2.310 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.978 -7.616 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.949 -8.416 -2.496 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.309 -7.746 -4.015 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.302 -6.731 -2.943 1.00 0.00 H new ATOM 958 N LYS A 60 0.311 -6.104 -3.051 1.00 0.00 N ATOM 959 CA LYS A 60 -1.078 -5.954 -2.637 1.00 0.00 C ATOM 960 C LYS A 60 -1.636 -7.274 -2.113 1.00 0.00 C ATOM 961 O LYS A 60 -2.335 -7.990 -2.828 1.00 0.00 O ATOM 962 CB LYS A 60 -1.930 -5.456 -3.806 1.00 0.00 C ATOM 963 CG LYS A 60 -3.425 -5.534 -3.547 1.00 0.00 C ATOM 964 CD LYS A 60 -4.185 -4.492 -4.350 1.00 0.00 C ATOM 965 CE LYS A 60 -5.648 -4.874 -4.515 1.00 0.00 C ATOM 966 NZ LYS A 60 -5.839 -5.889 -5.588 1.00 0.00 N ATOM 0 H LYS A 60 0.440 -6.650 -3.903 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.113 -5.220 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.661 -4.423 -4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.693 -6.043 -4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.788 -6.529 -3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.619 -5.389 -2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.114 -3.525 -3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.724 -4.380 -5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.029 -5.266 -3.572 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.232 -3.984 -4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.849 -6.123 -5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.499 -5.506 -6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.303 -6.748 -5.352 1.00 0.00 H new ATOM 980 N GLY A 61 -1.323 -7.588 -0.860 1.00 0.00 N ATOM 981 CA GLY A 61 -1.802 -8.821 -0.263 1.00 0.00 C ATOM 982 C GLY A 61 -0.802 -9.953 -0.387 1.00 0.00 C ATOM 983 O GLY A 61 -0.738 -10.832 0.471 1.00 0.00 O ATOM 0 H GLY A 61 -0.746 -7.011 -0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.022 -8.649 0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.737 -9.113 -0.741 1.00 0.00 H new ATOM 987 N GLY A 62 -0.019 -9.933 -1.462 1.00 0.00 N ATOM 988 CA GLY A 62 0.971 -10.972 -1.677 1.00 0.00 C ATOM 989 C GLY A 62 1.251 -11.210 -3.148 1.00 0.00 C ATOM 990 O GLY A 62 1.357 -12.353 -3.590 1.00 0.00 O ATOM 0 H GLY A 62 -0.053 -9.216 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.898 -10.696 -1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.625 -11.900 -1.221 1.00 0.00 H new ATOM 994 N ALA A 63 1.371 -10.126 -3.909 1.00 0.00 N ATOM 995 CA ALA A 63 1.641 -10.222 -5.338 1.00 0.00 C ATOM 996 C ALA A 63 2.122 -8.887 -5.896 1.00 0.00 C ATOM 997 O ALA A 63 1.722 -7.816 -5.440 1.00 0.00 O ATOM 998 CB ALA A 63 0.397 -10.690 -6.080 1.00 0.00 C ATOM 0 H ALA A 63 1.285 -9.172 -3.559 1.00 0.00 H new ATOM 0 HA ALA A 63 2.435 -10.954 -5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.613 -10.757 -7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.098 -11.670 -5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.413 -9.978 -5.918 1.00 0.00 H new ATOM 1004 N PRO A 64 3.001 -8.950 -6.907 1.00 0.00 N ATOM 1005 CA PRO A 64 3.556 -7.755 -7.549 1.00 0.00 C ATOM 1006 C PRO A 64 2.515 -7.003 -8.372 1.00 0.00 C ATOM 1007 O PRO A 64 1.727 -7.609 -9.100 1.00 0.00 O ATOM 1008 CB PRO A 64 4.651 -8.317 -8.458 1.00 0.00 C ATOM 1009 CG PRO A 64 4.229 -9.717 -8.740 1.00 0.00 C ATOM 1010 CD PRO A 64 3.521 -10.193 -7.501 1.00 0.00 C ATOM 0 HA PRO A 64 3.919 -7.031 -6.819 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.738 -7.737 -9.377 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.625 -8.288 -7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.570 -9.759 -9.607 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.090 -10.347 -8.964 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.718 -10.891 -7.740 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.201 -10.709 -6.823 1.00 0.00 H new ATOM 1018 N LEU A 65 2.516 -5.680 -8.253 1.00 0.00 N ATOM 1019 CA LEU A 65 1.572 -4.844 -8.986 1.00 0.00 C ATOM 1020 C LEU A 65 1.660 -5.110 -10.486 1.00 0.00 C ATOM 1021 O LEU A 65 2.721 -5.460 -11.003 1.00 0.00 O ATOM 1022 CB LEU A 65 1.842 -3.366 -8.702 1.00 0.00 C ATOM 1023 CG LEU A 65 1.847 -2.955 -7.230 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.333 -1.522 -7.077 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.459 -3.116 -6.626 1.00 0.00 C ATOM 0 H LEU A 65 3.161 -5.163 -7.655 1.00 0.00 H new ATOM 0 HA LEU A 65 0.566 -5.094 -8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.808 -3.104 -9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.089 -2.774 -9.221 1.00 0.00 H new ATOM 0 HG LEU A 65 2.534 -3.609 -6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.330 -1.247 -6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.346 -1.437 -7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.672 -0.853 -7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.482 -2.819 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.248 -2.487 -7.166 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.148 -4.158 -6.701 1.00 0.00 H new ATOM 1037 N ASP A 66 0.539 -4.941 -11.178 1.00 0.00 N ATOM 1038 CA ASP A 66 0.490 -5.160 -12.619 1.00 0.00 C ATOM 1039 C ASP A 66 1.543 -4.317 -13.333 1.00 0.00 C ATOM 1040 O ASP A 66 1.919 -4.606 -14.469 1.00 0.00 O ATOM 1041 CB ASP A 66 -0.901 -4.825 -13.160 1.00 0.00 C ATOM 1042 CG ASP A 66 -1.947 -5.836 -12.732 1.00 0.00 C ATOM 1043 OD1 ASP A 66 -2.519 -5.668 -11.635 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -2.193 -6.795 -13.493 1.00 0.00 O ATOM 0 H ASP A 66 -0.348 -4.653 -10.765 1.00 0.00 H new ATOM 0 HA ASP A 66 0.702 -6.212 -12.809 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.194 -3.834 -12.813 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.864 -4.783 -14.249 1.00 0.00 H new ATOM 1049 N THR A 67 2.015 -3.273 -12.658 1.00 0.00 N ATOM 1050 CA THR A 67 3.022 -2.387 -13.228 1.00 0.00 C ATOM 1051 C THR A 67 2.700 -2.049 -14.679 1.00 0.00 C ATOM 1052 O THR A 67 3.599 -1.823 -15.488 1.00 0.00 O ATOM 1053 CB THR A 67 4.427 -3.016 -13.159 1.00 0.00 C ATOM 1054 OG1 THR A 67 4.403 -4.331 -13.725 1.00 0.00 O ATOM 1055 CG2 THR A 67 4.918 -3.086 -11.721 1.00 0.00 C ATOM 0 H THR A 67 1.716 -3.021 -11.716 1.00 0.00 H new ATOM 0 HA THR A 67 3.011 -1.473 -12.634 1.00 0.00 H new ATOM 0 HB THR A 67 5.111 -2.388 -13.730 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.650 -4.405 -14.348 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.912 -3.534 -11.697 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.963 -2.081 -11.302 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.232 -3.694 -11.131 1.00 0.00 H new ATOM 1063 N SER A 68 1.411 -2.017 -15.002 1.00 0.00 N ATOM 1064 CA SER A 68 0.970 -1.710 -16.358 1.00 0.00 C ATOM 1065 C SER A 68 0.262 -0.359 -16.406 1.00 0.00 C ATOM 1066 O SER A 68 0.486 0.439 -17.316 1.00 0.00 O ATOM 1067 CB SER A 68 0.036 -2.806 -16.874 1.00 0.00 C ATOM 1068 OG SER A 68 -0.548 -2.438 -18.112 1.00 0.00 O ATOM 0 H SER A 68 0.654 -2.200 -14.343 1.00 0.00 H new ATOM 0 HA SER A 68 1.851 -1.662 -16.998 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.592 -3.736 -16.993 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.748 -2.995 -16.141 1.00 0.00 H new ATOM 0 HG SER A 68 -1.139 -3.156 -18.421 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.593 -0.111 -15.419 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.336 1.142 -15.349 1.00 0.00 C ATOM 1076 C ARG A 69 -0.875 1.980 -14.160 1.00 0.00 C ATOM 1077 O ARG A 69 -1.040 3.200 -14.146 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.836 0.865 -15.240 1.00 0.00 C ATOM 1079 CG ARG A 69 -3.299 -0.318 -16.075 1.00 0.00 C ATOM 1080 CD ARG A 69 -4.794 -0.257 -16.346 1.00 0.00 C ATOM 1081 NE ARG A 69 -5.176 -1.076 -17.494 1.00 0.00 N ATOM 1082 CZ ARG A 69 -5.302 -2.397 -17.444 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -5.078 -3.045 -16.310 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -5.654 -3.072 -18.531 1.00 0.00 N ATOM 0 H ARG A 69 -0.788 -0.761 -14.657 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.143 1.702 -16.264 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.088 0.683 -14.195 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.385 1.754 -15.550 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.757 -0.332 -17.021 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.060 -1.247 -15.557 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.337 -0.595 -15.463 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.088 0.777 -16.525 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.356 -0.608 -18.382 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.808 -2.529 -15.473 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.176 -4.060 -16.275 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.828 -2.576 -19.405 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.751 -4.087 -18.492 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.296 1.317 -13.164 1.00 0.00 N ATOM 1099 CA VAL A 70 0.189 2.001 -11.971 1.00 0.00 C ATOM 1100 C VAL A 70 1.592 2.555 -12.187 1.00 0.00 C ATOM 1101 O VAL A 70 2.456 1.885 -12.755 1.00 0.00 O ATOM 1102 CB VAL A 70 0.203 1.060 -10.751 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.735 1.784 -9.524 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -1.189 0.504 -10.491 1.00 0.00 C ATOM 0 H VAL A 70 -0.151 0.307 -13.160 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.498 2.825 -11.778 1.00 0.00 H new ATOM 0 HB VAL A 70 0.869 0.224 -10.966 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.737 1.103 -8.673 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.751 2.128 -9.717 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.098 2.640 -9.302 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.160 -0.159 -9.626 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.878 1.326 -10.296 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.527 -0.054 -11.364 1.00 0.00 H new ATOM 1114 N HIS A 71 1.814 3.784 -11.731 1.00 0.00 N ATOM 1115 CA HIS A 71 3.115 4.429 -11.874 1.00 0.00 C ATOM 1116 C HIS A 71 3.740 4.700 -10.509 1.00 0.00 C ATOM 1117 O HIS A 71 3.632 5.803 -9.973 1.00 0.00 O ATOM 1118 CB HIS A 71 2.975 5.738 -12.653 1.00 0.00 C ATOM 1119 CG HIS A 71 2.979 5.554 -14.139 1.00 0.00 C ATOM 1120 ND1 HIS A 71 3.883 4.745 -14.795 1.00 0.00 N ATOM 1121 CD2 HIS A 71 2.181 6.079 -15.098 1.00 0.00 C ATOM 1122 CE1 HIS A 71 3.642 4.782 -16.093 1.00 0.00 C ATOM 1123 NE2 HIS A 71 2.614 5.583 -16.304 1.00 0.00 N ATOM 0 H HIS A 71 1.111 4.353 -11.260 1.00 0.00 H new ATOM 0 HA HIS A 71 3.769 3.754 -12.426 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.047 6.229 -12.358 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.791 6.405 -12.376 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.358 6.761 -14.944 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.193 4.248 -16.853 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.207 5.799 -17.214 1.00 0.00 H new ATOM 1132 N VAL A 72 4.394 3.686 -9.951 1.00 0.00 N ATOM 1133 CA VAL A 72 5.037 3.814 -8.649 1.00 0.00 C ATOM 1134 C VAL A 72 6.437 4.400 -8.783 1.00 0.00 C ATOM 1135 O VAL A 72 7.319 3.794 -9.392 1.00 0.00 O ATOM 1136 CB VAL A 72 5.127 2.454 -7.931 1.00 0.00 C ATOM 1137 CG1 VAL A 72 5.852 2.599 -6.602 1.00 0.00 C ATOM 1138 CG2 VAL A 72 3.739 1.865 -7.730 1.00 0.00 C ATOM 0 H VAL A 72 4.492 2.766 -10.381 1.00 0.00 H new ATOM 0 HA VAL A 72 4.420 4.489 -8.056 1.00 0.00 H new ATOM 0 HB VAL A 72 5.700 1.769 -8.557 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.906 1.628 -6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.861 2.974 -6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.310 3.299 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.822 0.904 -7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.139 2.545 -7.125 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.260 1.723 -8.699 1.00 0.00 H new ATOM 1148 N ARG A 73 6.636 5.583 -8.210 1.00 0.00 N ATOM 1149 CA ARG A 73 7.930 6.252 -8.266 1.00 0.00 C ATOM 1150 C ARG A 73 8.677 6.102 -6.944 1.00 0.00 C ATOM 1151 O ARG A 73 8.433 6.844 -5.992 1.00 0.00 O ATOM 1152 CB ARG A 73 7.748 7.734 -8.596 1.00 0.00 C ATOM 1153 CG ARG A 73 7.354 7.993 -10.041 1.00 0.00 C ATOM 1154 CD ARG A 73 7.050 9.463 -10.281 1.00 0.00 C ATOM 1155 NE ARG A 73 8.265 10.249 -10.477 1.00 0.00 N ATOM 1156 CZ ARG A 73 8.279 11.453 -11.037 1.00 0.00 C ATOM 1157 NH1 ARG A 73 7.149 12.008 -11.453 1.00 0.00 N ATOM 1158 NH2 ARG A 73 9.426 12.106 -11.181 1.00 0.00 N ATOM 0 H ARG A 73 5.917 6.098 -7.702 1.00 0.00 H new ATOM 0 HA ARG A 73 8.520 5.782 -9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.985 8.152 -7.940 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.677 8.262 -8.382 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.160 7.675 -10.702 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.479 7.394 -10.294 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.409 9.562 -11.157 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.494 9.861 -9.432 1.00 0.00 H new ATOM 0 HE ARG A 73 9.152 9.851 -10.167 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.266 11.510 -11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.163 12.933 -11.883 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.297 11.683 -10.861 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.436 13.031 -11.611 1.00 0.00 H new ATOM 1172 N THR A 74 9.589 5.136 -6.892 1.00 0.00 N ATOM 1173 CA THR A 74 10.370 4.887 -5.687 1.00 0.00 C ATOM 1174 C THR A 74 11.672 5.679 -5.703 1.00 0.00 C ATOM 1175 O THR A 74 12.308 5.827 -6.746 1.00 0.00 O ATOM 1176 CB THR A 74 10.696 3.390 -5.528 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.506 2.609 -5.689 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.310 3.111 -4.164 1.00 0.00 C ATOM 0 H THR A 74 9.805 4.513 -7.671 1.00 0.00 H new ATOM 0 HA THR A 74 9.761 5.210 -4.843 1.00 0.00 H new ATOM 0 HB THR A 74 11.418 3.115 -6.297 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.722 1.659 -5.588 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.531 2.047 -4.075 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.231 3.684 -4.056 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.608 3.402 -3.383 1.00 0.00 H new ATOM 1186 N SER A 75 12.064 6.188 -4.539 1.00 0.00 N ATOM 1187 CA SER A 75 13.289 6.969 -4.420 1.00 0.00 C ATOM 1188 C SER A 75 14.063 6.578 -3.164 1.00 0.00 C ATOM 1189 O SER A 75 13.484 6.421 -2.089 1.00 0.00 O ATOM 1190 CB SER A 75 12.965 8.464 -4.388 1.00 0.00 C ATOM 1191 OG SER A 75 12.534 8.865 -3.099 1.00 0.00 O ATOM 0 H SER A 75 11.551 6.073 -3.665 1.00 0.00 H new ATOM 0 HA SER A 75 13.911 6.758 -5.290 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.847 9.037 -4.674 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.189 8.687 -5.120 1.00 0.00 H new ATOM 0 HG SER A 75 11.618 8.552 -2.948 1.00 0.00 H new ATOM 1197 N ASP A 76 15.374 6.422 -3.309 1.00 0.00 N ATOM 1198 CA ASP A 76 16.229 6.050 -2.188 1.00 0.00 C ATOM 1199 C ASP A 76 15.737 6.691 -0.894 1.00 0.00 C ATOM 1200 O ASP A 76 15.855 6.108 0.184 1.00 0.00 O ATOM 1201 CB ASP A 76 17.675 6.467 -2.461 1.00 0.00 C ATOM 1202 CG ASP A 76 18.597 6.153 -1.299 1.00 0.00 C ATOM 1203 OD1 ASP A 76 18.695 4.967 -0.923 1.00 0.00 O ATOM 1204 OD2 ASP A 76 19.220 7.095 -0.765 1.00 0.00 O ATOM 0 H ASP A 76 15.868 6.547 -4.192 1.00 0.00 H new ATOM 0 HA ASP A 76 16.187 4.967 -2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.035 5.957 -3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.709 7.536 -2.669 1.00 0.00 H new ATOM 1209 N PHE A 77 15.187 7.895 -1.008 1.00 0.00 N ATOM 1210 CA PHE A 77 14.679 8.617 0.153 1.00 0.00 C ATOM 1211 C PHE A 77 13.361 8.017 0.633 1.00 0.00 C ATOM 1212 O PHE A 77 13.316 7.325 1.651 1.00 0.00 O ATOM 1213 CB PHE A 77 14.486 10.097 -0.185 1.00 0.00 C ATOM 1214 CG PHE A 77 15.775 10.834 -0.411 1.00 0.00 C ATOM 1215 CD1 PHE A 77 16.359 10.866 -1.667 1.00 0.00 C ATOM 1216 CD2 PHE A 77 16.402 11.495 0.633 1.00 0.00 C ATOM 1217 CE1 PHE A 77 17.545 11.543 -1.877 1.00 0.00 C ATOM 1218 CE2 PHE A 77 17.588 12.174 0.428 1.00 0.00 C ATOM 1219 CZ PHE A 77 18.160 12.199 -0.829 1.00 0.00 C ATOM 0 H PHE A 77 15.082 8.392 -1.893 1.00 0.00 H new ATOM 0 HA PHE A 77 15.412 8.527 0.955 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.868 10.180 -1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.939 10.578 0.626 1.00 0.00 H new ATOM 0 HD1 PHE A 77 15.882 10.356 -2.491 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.959 11.479 1.618 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.991 11.559 -2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.067 12.685 1.250 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.086 12.730 -0.992 1.00 0.00 H new ATOM 1229 N ASP A 78 12.291 8.287 -0.107 1.00 0.00 N ATOM 1230 CA ASP A 78 10.971 7.773 0.242 1.00 0.00 C ATOM 1231 C ASP A 78 10.257 7.228 -0.991 1.00 0.00 C ATOM 1232 O ASP A 78 10.643 7.516 -2.124 1.00 0.00 O ATOM 1233 CB ASP A 78 10.129 8.872 0.891 1.00 0.00 C ATOM 1234 CG ASP A 78 10.010 10.104 0.016 1.00 0.00 C ATOM 1235 OD1 ASP A 78 10.104 9.964 -1.221 1.00 0.00 O ATOM 1236 OD2 ASP A 78 9.823 11.208 0.569 1.00 0.00 O ATOM 0 H ASP A 78 12.312 8.858 -0.952 1.00 0.00 H new ATOM 0 HA ASP A 78 11.101 6.958 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.133 8.484 1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.574 9.150 1.846 1.00 0.00 H new ATOM 1241 N THR A 79 9.213 6.438 -0.762 1.00 0.00 N ATOM 1242 CA THR A 79 8.445 5.851 -1.854 1.00 0.00 C ATOM 1243 C THR A 79 7.174 6.648 -2.123 1.00 0.00 C ATOM 1244 O THR A 79 6.615 7.268 -1.219 1.00 0.00 O ATOM 1245 CB THR A 79 8.066 4.389 -1.551 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.564 3.758 -2.734 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.020 4.318 -0.449 1.00 0.00 C ATOM 0 H THR A 79 8.880 6.190 0.169 1.00 0.00 H new ATOM 0 HA THR A 79 9.081 5.878 -2.738 1.00 0.00 H new ATOM 0 HB THR A 79 8.962 3.867 -1.214 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.306 3.347 -3.225 1.00 0.00 H new ATOM 0 HG21 THR A 79 6.768 3.276 -0.253 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.416 4.773 0.459 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.124 4.855 -0.762 1.00 0.00 H new ATOM 1255 N VAL A 80 6.722 6.627 -3.373 1.00 0.00 N ATOM 1256 CA VAL A 80 5.515 7.347 -3.761 1.00 0.00 C ATOM 1257 C VAL A 80 4.595 6.466 -4.599 1.00 0.00 C ATOM 1258 O VAL A 80 5.050 5.740 -5.484 1.00 0.00 O ATOM 1259 CB VAL A 80 5.853 8.621 -4.558 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.595 9.430 -4.831 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.884 9.456 -3.814 1.00 0.00 C ATOM 0 H VAL A 80 7.173 6.119 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 80 5.005 7.628 -2.840 1.00 0.00 H new ATOM 0 HB VAL A 80 6.281 8.327 -5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.854 10.326 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.893 8.828 -5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.134 9.717 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.111 10.352 -4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.486 9.742 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.794 8.872 -3.677 1.00 0.00 H new ATOM 1271 N PHE A 81 3.299 6.534 -4.315 1.00 0.00 N ATOM 1272 CA PHE A 81 2.314 5.742 -5.042 1.00 0.00 C ATOM 1273 C PHE A 81 1.285 6.642 -5.719 1.00 0.00 C ATOM 1274 O PHE A 81 0.733 7.550 -5.097 1.00 0.00 O ATOM 1275 CB PHE A 81 1.611 4.768 -4.094 1.00 0.00 C ATOM 1276 CG PHE A 81 0.587 3.904 -4.773 1.00 0.00 C ATOM 1277 CD1 PHE A 81 0.952 2.701 -5.354 1.00 0.00 C ATOM 1278 CD2 PHE A 81 -0.741 4.297 -4.831 1.00 0.00 C ATOM 1279 CE1 PHE A 81 0.012 1.903 -5.979 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -1.685 3.503 -5.454 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.308 2.306 -6.030 1.00 0.00 C ATOM 0 H PHE A 81 2.906 7.130 -3.586 1.00 0.00 H new ATOM 0 HA PHE A 81 2.837 5.175 -5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.358 4.130 -3.622 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.127 5.334 -3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.983 2.382 -5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.041 5.234 -4.385 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.309 0.966 -6.427 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.717 3.819 -5.490 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.044 1.686 -6.520 1.00 0.00 H new ATOM 1291 N PHE A 82 1.032 6.384 -6.998 1.00 0.00 N ATOM 1292 CA PHE A 82 0.071 7.171 -7.762 1.00 0.00 C ATOM 1293 C PHE A 82 -0.797 6.271 -8.636 1.00 0.00 C ATOM 1294 O PHE A 82 -0.343 5.236 -9.124 1.00 0.00 O ATOM 1295 CB PHE A 82 0.798 8.198 -8.632 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.098 8.888 -9.621 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.904 9.944 -9.227 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -0.136 8.479 -10.944 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.729 10.581 -10.134 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -0.959 9.112 -11.856 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.758 10.163 -11.450 1.00 0.00 C ATOM 0 H PHE A 82 1.479 5.636 -7.527 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.574 7.694 -7.057 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.259 8.947 -7.988 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.605 7.700 -9.170 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.887 10.273 -8.199 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.485 7.656 -11.266 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.350 11.405 -9.814 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.977 8.785 -12.885 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.404 10.657 -12.160 1.00 0.00 H new ATOM 1311 N VAL A 83 -2.049 6.672 -8.828 1.00 0.00 N ATOM 1312 CA VAL A 83 -2.982 5.903 -9.644 1.00 0.00 C ATOM 1313 C VAL A 83 -3.967 6.818 -10.363 1.00 0.00 C ATOM 1314 O VAL A 83 -4.633 7.643 -9.738 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.768 4.889 -8.791 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.939 4.322 -9.580 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -2.852 3.776 -8.308 1.00 0.00 C ATOM 0 H VAL A 83 -2.441 7.525 -8.430 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.388 5.363 -10.382 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.165 5.406 -7.918 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.483 3.608 -8.962 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.608 5.132 -9.872 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.567 3.820 -10.473 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.424 3.069 -7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.424 3.259 -9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.051 4.201 -7.703 1.00 0.00 H new ATOM 1327 N ARG A 84 -4.054 6.665 -11.680 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.958 7.478 -12.485 1.00 0.00 C ATOM 1329 C ARG A 84 -6.313 7.626 -11.800 1.00 0.00 C ATOM 1330 O ARG A 84 -6.701 8.724 -11.404 1.00 0.00 O ATOM 1331 CB ARG A 84 -5.140 6.855 -13.871 1.00 0.00 C ATOM 1332 CG ARG A 84 -6.100 7.625 -14.763 1.00 0.00 C ATOM 1333 CD ARG A 84 -6.186 7.010 -16.151 1.00 0.00 C ATOM 1334 NE ARG A 84 -5.190 7.570 -17.060 1.00 0.00 N ATOM 1335 CZ ARG A 84 -4.888 7.036 -18.238 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -5.502 5.934 -18.648 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -3.970 7.604 -19.010 1.00 0.00 N ATOM 0 H ARG A 84 -3.510 5.986 -12.212 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.516 8.468 -12.594 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.169 6.794 -14.363 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.504 5.834 -13.756 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.090 7.638 -14.308 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.772 8.661 -14.843 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.045 5.932 -16.079 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.183 7.175 -16.559 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.699 8.418 -16.775 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.208 5.494 -18.058 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.268 5.526 -19.553 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.495 8.452 -18.699 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.739 7.193 -19.914 1.00 0.00 H new ATOM 1351 N GLN A 85 -7.026 6.512 -11.665 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.338 6.519 -11.029 1.00 0.00 C ATOM 1353 C GLN A 85 -8.432 5.434 -9.962 1.00 0.00 C ATOM 1354 O GLN A 85 -8.017 4.296 -10.182 1.00 0.00 O ATOM 1355 CB GLN A 85 -9.437 6.319 -12.074 1.00 0.00 C ATOM 1356 CG GLN A 85 -9.239 5.081 -12.935 1.00 0.00 C ATOM 1357 CD GLN A 85 -10.448 4.768 -13.794 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -11.353 4.048 -13.372 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -10.470 5.310 -15.006 1.00 0.00 N ATOM 0 H GLN A 85 -6.718 5.595 -11.987 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.475 7.488 -10.549 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.400 6.249 -11.568 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.478 7.197 -12.719 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.370 5.225 -13.577 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.024 4.227 -12.293 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.698 5.901 -15.315 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.259 5.136 -15.628 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.978 5.793 -8.805 1.00 0.00 N ATOM 1369 CA ALA A 86 -9.128 4.849 -7.704 1.00 0.00 C ATOM 1370 C ALA A 86 -10.468 4.126 -7.779 1.00 0.00 C ATOM 1371 O ALA A 86 -11.438 4.528 -7.136 1.00 0.00 O ATOM 1372 CB ALA A 86 -8.986 5.567 -6.370 1.00 0.00 C ATOM 0 H ALA A 86 -9.324 6.732 -8.606 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.338 4.103 -7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.100 4.850 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.001 6.031 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.755 6.335 -6.287 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.516 3.058 -8.568 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.737 2.278 -8.725 1.00 0.00 C ATOM 1380 C ALA A 87 -11.918 1.300 -7.569 1.00 0.00 C ATOM 1381 O ALA A 87 -10.955 0.687 -7.107 1.00 0.00 O ATOM 1382 CB ALA A 87 -11.721 1.533 -10.051 1.00 0.00 C ATOM 0 H ALA A 87 -9.723 2.713 -9.109 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.581 2.967 -8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.639 0.955 -10.155 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.649 2.249 -10.870 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.864 0.861 -10.080 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.155 1.161 -7.105 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.460 0.259 -6.001 1.00 0.00 C ATOM 1390 C ARG A 88 -12.572 -0.981 -6.051 1.00 0.00 C ATOM 1391 O ARG A 88 -12.191 -1.526 -5.014 1.00 0.00 O ATOM 1392 CB ARG A 88 -14.933 -0.153 -6.043 1.00 0.00 C ATOM 1393 CG ARG A 88 -15.877 0.992 -6.370 1.00 0.00 C ATOM 1394 CD ARG A 88 -17.315 0.647 -6.017 1.00 0.00 C ATOM 1395 NE ARG A 88 -18.000 -0.033 -7.113 1.00 0.00 N ATOM 1396 CZ ARG A 88 -17.916 -1.341 -7.334 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -17.183 -2.105 -6.537 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -18.569 -1.886 -8.352 1.00 0.00 N ATOM 0 H ARG A 88 -13.963 1.661 -7.476 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.264 0.788 -5.068 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.060 -0.941 -6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.210 -0.577 -5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.571 1.884 -5.824 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.809 1.229 -7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.328 0.012 -5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.855 1.559 -5.763 1.00 0.00 H new ATOM 0 HE ARG A 88 -18.574 0.526 -7.743 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.682 -1.690 -5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.120 -3.108 -6.709 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -19.136 -1.301 -8.966 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.504 -2.890 -8.521 1.00 0.00 H new ATOM 1412 N SER A 89 -12.247 -1.422 -7.262 1.00 0.00 N ATOM 1413 CA SER A 89 -11.408 -2.600 -7.446 1.00 0.00 C ATOM 1414 C SER A 89 -10.051 -2.411 -6.773 1.00 0.00 C ATOM 1415 O SER A 89 -9.591 -3.276 -6.027 1.00 0.00 O ATOM 1416 CB SER A 89 -11.214 -2.885 -8.937 1.00 0.00 C ATOM 1417 OG SER A 89 -10.319 -3.966 -9.137 1.00 0.00 O ATOM 0 H SER A 89 -12.552 -0.981 -8.130 1.00 0.00 H new ATOM 0 HA SER A 89 -11.910 -3.449 -6.982 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.176 -3.116 -9.395 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.830 -1.994 -9.434 1.00 0.00 H new ATOM 0 HG SER A 89 -10.213 -4.129 -10.097 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.417 -1.276 -7.043 1.00 0.00 N ATOM 1424 CA ASP A 90 -8.114 -0.972 -6.463 1.00 0.00 C ATOM 1425 C ASP A 90 -8.138 -1.150 -4.948 1.00 0.00 C ATOM 1426 O ASP A 90 -7.196 -1.682 -4.361 1.00 0.00 O ATOM 1427 CB ASP A 90 -7.696 0.457 -6.815 1.00 0.00 C ATOM 1428 CG ASP A 90 -7.189 0.578 -8.239 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -7.550 -0.279 -9.073 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -6.431 1.530 -8.519 1.00 0.00 O ATOM 0 H ASP A 90 -9.784 -0.551 -7.660 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.387 -1.668 -6.881 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.546 1.125 -6.677 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.917 0.785 -6.126 1.00 0.00 H new ATOM 1435 N SER A 91 -9.220 -0.699 -4.322 1.00 0.00 N ATOM 1436 CA SER A 91 -9.365 -0.804 -2.875 1.00 0.00 C ATOM 1437 C SER A 91 -8.793 -2.123 -2.366 1.00 0.00 C ATOM 1438 O SER A 91 -8.959 -3.168 -2.994 1.00 0.00 O ATOM 1439 CB SER A 91 -10.838 -0.687 -2.479 1.00 0.00 C ATOM 1440 OG SER A 91 -10.974 -0.150 -1.174 1.00 0.00 O ATOM 0 H SER A 91 -10.009 -0.257 -4.794 1.00 0.00 H new ATOM 0 HA SER A 91 -8.807 0.014 -2.419 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.361 -0.051 -3.194 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.309 -1.669 -2.522 1.00 0.00 H new ATOM 0 HG SER A 91 -10.088 -0.053 -0.766 1.00 0.00 H new ATOM 1446 N GLY A 92 -8.118 -2.067 -1.222 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.531 -3.263 -0.646 1.00 0.00 C ATOM 1448 C GLY A 92 -6.502 -2.948 0.421 1.00 0.00 C ATOM 1449 O GLY A 92 -6.609 -1.938 1.116 1.00 0.00 O ATOM 0 H GLY A 92 -7.967 -1.214 -0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.320 -3.880 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.063 -3.851 -1.436 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.505 -3.816 0.554 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.454 -3.626 1.547 1.00 0.00 C ATOM 1455 C GLU A 93 -3.075 -3.670 0.896 1.00 0.00 C ATOM 1456 O GLU A 93 -2.623 -4.723 0.445 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.551 -4.697 2.636 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.839 -4.320 3.925 1.00 0.00 C ATOM 1459 CD GLU A 93 -4.324 -5.125 5.115 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -4.125 -6.358 5.119 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -4.901 -4.521 6.043 1.00 0.00 O ATOM 0 H GLU A 93 -5.403 -4.658 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.591 -2.644 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.602 -4.888 2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.130 -5.628 2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.767 -4.471 3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.990 -3.259 4.123 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.411 -2.520 0.850 1.00 0.00 N ATOM 1469 CA TYR A 94 -1.085 -2.426 0.252 1.00 0.00 C ATOM 1470 C TYR A 94 0.001 -2.705 1.287 1.00 0.00 C ATOM 1471 O TYR A 94 0.155 -1.962 2.255 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.877 -1.041 -0.362 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.624 -0.835 -1.660 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.984 -1.103 -1.752 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.970 -0.371 -2.795 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.670 -0.917 -2.937 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.648 -0.181 -3.983 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.998 -0.456 -4.049 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.678 -0.268 -5.230 1.00 0.00 O ATOM 0 H TYR A 94 -2.770 -1.640 1.220 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.014 -3.179 -0.533 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.195 -0.284 0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.188 -0.887 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.514 -1.463 -0.883 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.087 -0.155 -2.747 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.727 -1.132 -2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.124 0.181 -4.855 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.059 0.062 -5.915 1.00 0.00 H new ATOM 1489 N GLU A 95 0.751 -3.782 1.072 1.00 0.00 N ATOM 1490 CA GLU A 95 1.822 -4.159 1.986 1.00 0.00 C ATOM 1491 C GLU A 95 3.167 -3.629 1.497 1.00 0.00 C ATOM 1492 O GLU A 95 3.631 -3.986 0.413 1.00 0.00 O ATOM 1493 CB GLU A 95 1.885 -5.681 2.133 1.00 0.00 C ATOM 1494 CG GLU A 95 2.530 -6.141 3.430 1.00 0.00 C ATOM 1495 CD GLU A 95 2.636 -7.651 3.524 1.00 0.00 C ATOM 1496 OE1 GLU A 95 3.046 -8.281 2.527 1.00 0.00 O ATOM 1497 OE2 GLU A 95 2.309 -8.202 4.597 1.00 0.00 O ATOM 0 H GLU A 95 0.636 -4.407 0.274 1.00 0.00 H new ATOM 0 HA GLU A 95 1.608 -3.715 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.874 -6.085 2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.442 -6.096 1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.526 -5.705 3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.949 -5.768 4.273 1.00 0.00 H new ATOM 1504 N LEU A 96 3.787 -2.774 2.303 1.00 0.00 N ATOM 1505 CA LEU A 96 5.079 -2.193 1.953 1.00 0.00 C ATOM 1506 C LEU A 96 6.191 -2.777 2.818 1.00 0.00 C ATOM 1507 O LEU A 96 6.195 -2.611 4.037 1.00 0.00 O ATOM 1508 CB LEU A 96 5.037 -0.673 2.115 1.00 0.00 C ATOM 1509 CG LEU A 96 6.392 0.031 2.206 1.00 0.00 C ATOM 1510 CD1 LEU A 96 7.070 0.061 0.845 1.00 0.00 C ATOM 1511 CD2 LEU A 96 6.225 1.441 2.752 1.00 0.00 C ATOM 0 H LEU A 96 3.417 -2.468 3.203 1.00 0.00 H new ATOM 0 HA LEU A 96 5.289 -2.436 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.488 -0.253 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.468 -0.439 3.015 1.00 0.00 H new ATOM 0 HG LEU A 96 7.026 -0.530 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.033 0.566 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.224 -0.959 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.440 0.598 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.199 1.927 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.573 2.012 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.783 1.396 3.747 1.00 0.00 H new ATOM 1523 N SER A 97 7.135 -3.461 2.177 1.00 0.00 N ATOM 1524 CA SER A 97 8.252 -4.071 2.888 1.00 0.00 C ATOM 1525 C SER A 97 9.584 -3.560 2.347 1.00 0.00 C ATOM 1526 O SER A 97 9.737 -3.343 1.145 1.00 0.00 O ATOM 1527 CB SER A 97 8.190 -5.595 2.767 1.00 0.00 C ATOM 1528 OG SER A 97 6.848 -6.048 2.723 1.00 0.00 O ATOM 0 H SER A 97 7.148 -3.606 1.167 1.00 0.00 H new ATOM 0 HA SER A 97 8.176 -3.794 3.940 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.714 -5.913 1.866 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.704 -6.052 3.613 1.00 0.00 H new ATOM 0 HG SER A 97 6.835 -7.025 2.644 1.00 0.00 H new ATOM 1534 N VAL A 98 10.547 -3.371 3.245 1.00 0.00 N ATOM 1535 CA VAL A 98 11.867 -2.887 2.859 1.00 0.00 C ATOM 1536 C VAL A 98 12.926 -3.967 3.052 1.00 0.00 C ATOM 1537 O VAL A 98 13.065 -4.525 4.140 1.00 0.00 O ATOM 1538 CB VAL A 98 12.267 -1.640 3.670 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.654 -1.164 3.268 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.240 -0.533 3.486 1.00 0.00 C ATOM 0 H VAL A 98 10.437 -3.546 4.244 1.00 0.00 H new ATOM 0 HA VAL A 98 11.811 -2.622 1.803 1.00 0.00 H new ATOM 0 HB VAL A 98 12.293 -1.908 4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.919 -0.282 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.379 -1.956 3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.659 -0.912 2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.538 0.340 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.179 -0.265 2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.265 -0.880 3.829 1.00 0.00 H new ATOM 1550 N GLN A 99 13.670 -4.255 1.989 1.00 0.00 N ATOM 1551 CA GLN A 99 14.717 -5.268 2.042 1.00 0.00 C ATOM 1552 C GLN A 99 16.082 -4.629 2.274 1.00 0.00 C ATOM 1553 O GLN A 99 16.354 -3.531 1.788 1.00 0.00 O ATOM 1554 CB GLN A 99 14.735 -6.082 0.747 1.00 0.00 C ATOM 1555 CG GLN A 99 15.840 -7.124 0.699 1.00 0.00 C ATOM 1556 CD GLN A 99 15.706 -8.062 -0.485 1.00 0.00 C ATOM 1557 OE1 GLN A 99 15.842 -7.650 -1.637 1.00 0.00 O ATOM 1558 NE2 GLN A 99 15.440 -9.333 -0.206 1.00 0.00 N ATOM 0 H GLN A 99 13.567 -3.801 1.081 1.00 0.00 H new ATOM 0 HA GLN A 99 14.501 -5.933 2.878 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.773 -6.579 0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.850 -5.403 -0.098 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.806 -6.622 0.652 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.827 -7.705 1.621 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.335 -9.631 0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.341 -10.011 -0.962 1.00 0.00 H new ATOM 1567 N ILE A 100 16.937 -5.323 3.018 1.00 0.00 N ATOM 1568 CA ILE A 100 18.274 -4.823 3.313 1.00 0.00 C ATOM 1569 C ILE A 100 19.295 -5.956 3.322 1.00 0.00 C ATOM 1570 O ILE A 100 18.937 -7.125 3.464 1.00 0.00 O ATOM 1571 CB ILE A 100 18.316 -4.097 4.670 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.245 -3.006 4.724 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.697 -3.503 4.910 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.552 -1.814 3.845 1.00 0.00 C ATOM 0 H ILE A 100 16.727 -6.233 3.428 1.00 0.00 H new ATOM 0 HA ILE A 100 18.528 -4.115 2.524 1.00 0.00 H new ATOM 0 HB ILE A 100 18.110 -4.821 5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.288 -3.432 4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 100 17.133 -2.668 5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.711 -2.993 5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.441 -4.300 4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.929 -2.790 4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.750 -1.081 3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.493 -1.363 4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.634 -2.138 2.808 1.00 0.00 H new ATOM 1586 N GLU A 101 20.567 -5.600 3.172 1.00 0.00 N ATOM 1587 CA GLU A 101 21.639 -6.587 3.164 1.00 0.00 C ATOM 1588 C GLU A 101 21.308 -7.757 4.086 1.00 0.00 C ATOM 1589 O GLU A 101 21.113 -8.883 3.631 1.00 0.00 O ATOM 1590 CB GLU A 101 22.959 -5.943 3.594 1.00 0.00 C ATOM 1591 CG GLU A 101 23.595 -5.081 2.516 1.00 0.00 C ATOM 1592 CD GLU A 101 23.916 -5.863 1.258 1.00 0.00 C ATOM 1593 OE1 GLU A 101 23.029 -5.978 0.387 1.00 0.00 O ATOM 1594 OE2 GLU A 101 25.056 -6.361 1.144 1.00 0.00 O ATOM 0 H GLU A 101 20.879 -4.636 3.055 1.00 0.00 H new ATOM 0 HA GLU A 101 21.742 -6.965 2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.784 -5.332 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.660 -6.727 3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.921 -4.261 2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.510 -4.635 2.906 1.00 0.00 H new ATOM 1601 N ASN A 102 21.249 -7.481 5.385 1.00 0.00 N ATOM 1602 CA ASN A 102 20.943 -8.510 6.372 1.00 0.00 C ATOM 1603 C ASN A 102 19.768 -8.090 7.250 1.00 0.00 C ATOM 1604 O ASN A 102 19.624 -8.559 8.379 1.00 0.00 O ATOM 1605 CB ASN A 102 22.169 -8.792 7.243 1.00 0.00 C ATOM 1606 CG ASN A 102 21.990 -10.021 8.114 1.00 0.00 C ATOM 1607 OD1 ASN A 102 21.036 -10.781 7.945 1.00 0.00 O ATOM 1608 ND2 ASN A 102 22.909 -10.220 9.051 1.00 0.00 N ATOM 0 H ASN A 102 21.409 -6.554 5.778 1.00 0.00 H new ATOM 0 HA ASN A 102 20.668 -9.419 5.838 1.00 0.00 H new ATOM 0 HB2 ASN A 102 23.042 -8.927 6.604 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.368 -7.927 7.876 1.00 0.00 H new ATOM 0 HD21 ASN A 102 22.842 -11.030 9.668 1.00 0.00 H new ATOM 0 HD22 ASN A 102 23.683 -9.563 9.154 1.00 0.00 H new ATOM 1615 N MET A 103 18.929 -7.204 6.722 1.00 0.00 N ATOM 1616 CA MET A 103 17.765 -6.722 7.457 1.00 0.00 C ATOM 1617 C MET A 103 16.559 -6.584 6.534 1.00 0.00 C ATOM 1618 O MET A 103 16.704 -6.485 5.316 1.00 0.00 O ATOM 1619 CB MET A 103 18.074 -5.377 8.118 1.00 0.00 C ATOM 1620 CG MET A 103 18.994 -5.489 9.323 1.00 0.00 C ATOM 1621 SD MET A 103 18.720 -4.178 10.530 1.00 0.00 S ATOM 1622 CE MET A 103 17.040 -4.533 11.039 1.00 0.00 C ATOM 0 H MET A 103 19.033 -6.806 5.789 1.00 0.00 H new ATOM 0 HA MET A 103 17.526 -7.452 8.231 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.532 -4.716 7.382 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.139 -4.910 8.427 1.00 0.00 H new ATOM 0 HG2 MET A 103 18.843 -6.456 9.802 1.00 0.00 H new ATOM 0 HG3 MET A 103 20.031 -5.458 8.988 1.00 0.00 H new ATOM 0 HE1 MET A 103 16.839 -4.048 11.994 1.00 0.00 H new ATOM 0 HE2 MET A 103 16.345 -4.157 10.288 1.00 0.00 H new ATOM 0 HE3 MET A 103 16.912 -5.610 11.145 1.00 0.00 H new ATOM 1632 N LYS A 104 15.367 -6.577 7.122 1.00 0.00 N ATOM 1633 CA LYS A 104 14.135 -6.450 6.354 1.00 0.00 C ATOM 1634 C LYS A 104 12.988 -5.976 7.240 1.00 0.00 C ATOM 1635 O LYS A 104 12.836 -6.433 8.373 1.00 0.00 O ATOM 1636 CB LYS A 104 13.773 -7.788 5.706 1.00 0.00 C ATOM 1637 CG LYS A 104 12.339 -7.856 5.211 1.00 0.00 C ATOM 1638 CD LYS A 104 11.403 -8.385 6.285 1.00 0.00 C ATOM 1639 CE LYS A 104 10.217 -9.119 5.680 1.00 0.00 C ATOM 1640 NZ LYS A 104 10.532 -10.549 5.404 1.00 0.00 N ATOM 0 H LYS A 104 15.229 -6.658 8.129 1.00 0.00 H new ATOM 0 HA LYS A 104 14.299 -5.707 5.573 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.447 -7.971 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.938 -8.588 6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.013 -6.864 4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.286 -8.499 4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.950 -9.058 6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.046 -7.557 6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.367 -9.059 6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.919 -8.627 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.698 -11.015 4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.326 -10.607 4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.791 -11.025 6.292 1.00 0.00 H new ATOM 1654 N ASP A 105 12.182 -5.059 6.717 1.00 0.00 N ATOM 1655 CA ASP A 105 11.046 -4.525 7.460 1.00 0.00 C ATOM 1656 C ASP A 105 9.748 -4.717 6.681 1.00 0.00 C ATOM 1657 O ASP A 105 9.765 -4.944 5.471 1.00 0.00 O ATOM 1658 CB ASP A 105 11.259 -3.041 7.762 1.00 0.00 C ATOM 1659 CG ASP A 105 12.071 -2.817 9.022 1.00 0.00 C ATOM 1660 OD1 ASP A 105 12.839 -3.726 9.403 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.939 -1.733 9.628 1.00 0.00 O ATOM 0 H ASP A 105 12.294 -4.670 5.781 1.00 0.00 H new ATOM 0 HA ASP A 105 10.969 -5.072 8.400 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.765 -2.571 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.291 -2.552 7.866 1.00 0.00 H new ATOM 1666 N THR A 106 8.623 -4.625 7.384 1.00 0.00 N ATOM 1667 CA THR A 106 7.317 -4.791 6.759 1.00 0.00 C ATOM 1668 C THR A 106 6.350 -3.701 7.209 1.00 0.00 C ATOM 1669 O THR A 106 6.563 -3.054 8.235 1.00 0.00 O ATOM 1670 CB THR A 106 6.709 -6.168 7.086 1.00 0.00 C ATOM 1671 OG1 THR A 106 6.536 -6.303 8.501 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.598 -7.288 6.569 1.00 0.00 C ATOM 0 H THR A 106 8.591 -4.437 8.386 1.00 0.00 H new ATOM 0 HA THR A 106 7.470 -4.716 5.682 1.00 0.00 H new ATOM 0 HB THR A 106 5.739 -6.239 6.594 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.147 -7.180 8.701 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.148 -8.251 6.812 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.704 -7.199 5.488 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.580 -7.218 7.037 1.00 0.00 H new ATOM 1680 N ALA A 107 5.288 -3.503 6.436 1.00 0.00 N ATOM 1681 CA ALA A 107 4.287 -2.493 6.758 1.00 0.00 C ATOM 1682 C ALA A 107 2.970 -2.779 6.043 1.00 0.00 C ATOM 1683 O ALA A 107 2.958 -3.253 4.907 1.00 0.00 O ATOM 1684 CB ALA A 107 4.798 -1.108 6.391 1.00 0.00 C ATOM 0 H ALA A 107 5.098 -4.028 5.582 1.00 0.00 H new ATOM 0 HA ALA A 107 4.103 -2.528 7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 107 4.040 -0.364 6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.709 -0.896 6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.011 -1.070 5.323 1.00 0.00 H new ATOM 1690 N THR A 108 1.861 -2.488 6.717 1.00 0.00 N ATOM 1691 CA THR A 108 0.539 -2.715 6.148 1.00 0.00 C ATOM 1692 C THR A 108 -0.197 -1.399 5.926 1.00 0.00 C ATOM 1693 O THR A 108 -0.169 -0.510 6.777 1.00 0.00 O ATOM 1694 CB THR A 108 -0.315 -3.621 7.054 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.323 -4.893 7.216 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.705 -3.816 6.469 1.00 0.00 C ATOM 0 H THR A 108 1.853 -2.094 7.658 1.00 0.00 H new ATOM 0 HA THR A 108 0.689 -3.211 5.189 1.00 0.00 H new ATOM 0 HB THR A 108 -0.412 -3.137 8.026 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.225 -5.463 7.795 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.290 -4.459 7.127 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.199 -2.849 6.375 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.624 -4.280 5.486 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.856 -1.281 4.778 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.602 -0.074 4.446 1.00 0.00 C ATOM 1706 C ILE A 109 -2.990 -0.414 3.915 1.00 0.00 C ATOM 1707 O ILE A 109 -3.129 -1.141 2.931 1.00 0.00 O ATOM 1708 CB ILE A 109 -0.858 0.777 3.399 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.533 1.153 3.911 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.661 2.025 3.064 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.431 1.740 2.845 1.00 0.00 C ATOM 0 H ILE A 109 -0.888 -2.007 4.062 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.699 0.501 5.367 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.742 0.188 2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.430 1.872 4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 109 1.010 0.266 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.123 2.616 2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.632 1.736 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.805 2.619 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.401 1.983 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.565 1.015 2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.976 2.646 2.444 1.00 0.00 H new ATOM 1723 N ARG A 110 -4.016 0.119 4.571 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.394 -0.127 4.165 1.00 0.00 C ATOM 1725 C ARG A 110 -5.928 1.029 3.324 1.00 0.00 C ATOM 1726 O ARG A 110 -5.826 2.192 3.715 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.282 -0.330 5.394 1.00 0.00 C ATOM 1728 CG ARG A 110 -6.181 -1.723 5.994 1.00 0.00 C ATOM 1729 CD ARG A 110 -7.286 -1.973 7.009 1.00 0.00 C ATOM 1730 NE ARG A 110 -7.180 -3.296 7.618 1.00 0.00 N ATOM 1731 CZ ARG A 110 -7.770 -3.628 8.761 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -8.505 -2.739 9.414 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -7.626 -4.853 9.252 1.00 0.00 N ATOM 0 H ARG A 110 -3.918 0.724 5.386 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.411 -1.033 3.559 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.011 0.404 6.153 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.319 -0.136 5.119 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.239 -2.468 5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.210 -1.844 6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -7.243 -1.211 7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -8.256 -1.875 6.521 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.623 -4.004 7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.619 -1.797 9.039 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.957 -2.997 10.291 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.062 -5.540 8.752 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.079 -5.107 10.130 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.496 0.701 2.169 1.00 0.00 N ATOM 1748 CA ILE A 111 -7.046 1.711 1.274 1.00 0.00 C ATOM 1749 C ILE A 111 -8.522 1.451 0.991 1.00 0.00 C ATOM 1750 O ILE A 111 -8.893 0.377 0.517 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.279 1.759 -0.061 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.859 2.284 0.160 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -7.020 2.626 -1.067 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -3.964 2.131 -1.050 1.00 0.00 C ATOM 0 H ILE A 111 -6.587 -0.257 1.831 1.00 0.00 H new ATOM 0 HA ILE A 111 -6.939 2.671 1.779 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.214 0.748 -0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.908 3.338 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.412 1.756 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.465 2.650 -2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.013 2.212 -1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.114 3.639 -0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.973 2.524 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.884 1.076 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.389 2.683 -1.889 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.358 2.441 1.283 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.794 2.320 1.059 1.00 0.00 C ATOM 1768 C ARG A 112 -11.260 3.292 -0.021 1.00 0.00 C ATOM 1769 O ARG A 112 -10.909 4.472 -0.003 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.558 2.580 2.358 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.024 2.919 2.145 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.834 2.715 3.416 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.270 2.708 3.155 1.00 0.00 N ATOM 1774 CZ ARG A 112 -16.191 2.633 4.110 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -15.826 2.557 5.382 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -17.479 2.632 3.793 1.00 0.00 N ATOM 0 H ARG A 112 -9.066 3.336 1.675 1.00 0.00 H new ATOM 0 HA ARG A 112 -10.999 1.304 0.722 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.487 1.698 2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.079 3.399 2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.115 3.954 1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.431 2.295 1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.546 1.773 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.599 3.507 4.127 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.584 2.764 2.186 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.836 2.556 5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.535 2.500 6.113 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.764 2.689 2.815 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.185 2.574 4.527 1.00 0.00 H new ATOM 1790 N VAL A 113 -12.052 2.787 -0.962 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.567 3.610 -2.050 1.00 0.00 C ATOM 1792 C VAL A 113 -14.080 3.766 -1.952 1.00 0.00 C ATOM 1793 O VAL A 113 -14.812 2.781 -1.847 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.211 3.011 -3.424 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.967 3.729 -4.531 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.710 3.078 -3.661 1.00 0.00 C ATOM 0 H VAL A 113 -12.351 1.812 -0.993 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.097 4.589 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.510 1.963 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.703 3.292 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -14.039 3.624 -4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.701 4.786 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.476 2.651 -4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.383 4.117 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.193 2.514 -2.884 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.545 5.011 -1.987 1.00 0.00 N ATOM 1807 CA VAL A 114 -15.972 5.297 -1.905 1.00 0.00 C ATOM 1808 C VAL A 114 -16.483 5.924 -3.197 1.00 0.00 C ATOM 1809 O VAL A 114 -15.774 6.690 -3.849 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.288 6.241 -0.729 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -15.942 5.579 0.596 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.541 7.557 -0.888 1.00 0.00 C ATOM 0 H VAL A 114 -13.954 5.838 -2.072 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.477 4.345 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.357 6.453 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.172 6.261 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.526 4.666 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.880 5.335 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.775 8.212 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.468 7.366 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -15.844 8.037 -1.819 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.718 5.593 -3.561 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.323 6.124 -4.777 1.00 0.00 C ATOM 1824 C GLU A 115 -18.662 7.603 -4.615 1.00 0.00 C ATOM 1825 O GLU A 115 -18.872 8.086 -3.501 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.587 5.336 -5.130 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.310 3.909 -5.573 1.00 0.00 C ATOM 1828 CD GLU A 115 -20.465 3.305 -6.348 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -21.265 4.075 -6.919 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -20.568 2.061 -6.383 1.00 0.00 O ATOM 0 H GLU A 115 -18.318 4.961 -3.032 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.601 6.021 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.247 5.317 -4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.120 5.857 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.413 3.892 -6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.104 3.294 -4.697 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.713 8.318 -5.733 1.00 0.00 N ATOM 1838 CA LYS A 116 -19.027 9.742 -5.718 1.00 0.00 C ATOM 1839 C LYS A 116 -20.533 9.967 -5.637 1.00 0.00 C ATOM 1840 O LYS A 116 -21.247 9.818 -6.628 1.00 0.00 O ATOM 1841 CB LYS A 116 -18.466 10.422 -6.969 1.00 0.00 C ATOM 1842 CG LYS A 116 -18.811 11.898 -7.065 1.00 0.00 C ATOM 1843 CD LYS A 116 -18.513 12.451 -8.449 1.00 0.00 C ATOM 1844 CE LYS A 116 -18.771 13.949 -8.518 1.00 0.00 C ATOM 1845 NZ LYS A 116 -18.399 14.515 -9.844 1.00 0.00 N ATOM 0 H LYS A 116 -18.541 7.934 -6.662 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.564 10.181 -4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -17.382 10.309 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -18.847 9.910 -7.853 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -19.867 12.042 -6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -18.243 12.455 -6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -17.474 12.247 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.131 11.940 -9.187 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -19.825 14.145 -8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -18.202 14.452 -7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -18.590 15.537 -9.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -17.387 14.350 -10.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -18.960 14.053 -10.588 1.00 0.00 H new