USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 18 SER OG : rot 180:sc= -0.721 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.371 USER MOD Set 2.1: A 46 THR OG1 : rot -62:sc= 2.25 USER MOD Set 2.2: A 48 THR OG1 : rot -64:sc= 1.22 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -138:sc= 1.41 (180deg=-0.546) USER MOD Single : A 27 HIS : no HE2:sc= -12.1! C(o=-12!,f=-15!) USER MOD Single : A 28 HIS : no HD1:sc= -0.753 K(o=-0.75,f=-8.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.951 K(o=-0.95,f=-2.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.065) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.696 K(o=-0.7,f=-3.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.935 K(o=0.94,f=-2.5!) USER MOD Single : A 61 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0568 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.043) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.0289 X(o=-0.029,f=-0.24) USER MOD Single : A 82 SER OG : rot 6:sc= -0.0659 USER MOD Single : A 85 GLN : amide:sc= -0.605 K(o=-0.61,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 214 N ALA A 17 12.584 -7.474 -3.625 1.00 0.00 N ATOM 215 CA ALA A 17 11.375 -7.627 -4.424 1.00 0.00 C ATOM 216 C ALA A 17 10.520 -6.366 -4.377 1.00 0.00 C ATOM 217 O ALA A 17 10.754 -5.477 -3.558 1.00 0.00 O ATOM 218 CB ALA A 17 10.574 -8.828 -3.942 1.00 0.00 C ATOM 0 HA ALA A 17 11.673 -7.792 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.673 -8.931 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.179 -9.730 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.295 -8.684 -2.898 1.00 0.00 H new ATOM 224 N SER A 18 9.531 -6.293 -5.261 1.00 0.00 N ATOM 225 CA SER A 18 8.644 -5.137 -5.323 1.00 0.00 C ATOM 226 C SER A 18 7.274 -5.531 -5.867 1.00 0.00 C ATOM 227 O SER A 18 7.172 -6.298 -6.823 1.00 0.00 O ATOM 228 CB SER A 18 9.258 -4.043 -6.199 1.00 0.00 C ATOM 229 OG SER A 18 10.665 -3.995 -6.043 1.00 0.00 O ATOM 0 H SER A 18 9.323 -7.021 -5.945 1.00 0.00 H new ATOM 0 HA SER A 18 8.517 -4.753 -4.311 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.011 -4.228 -7.244 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.827 -3.077 -5.936 1.00 0.00 H new ATOM 0 HG SER A 18 11.034 -3.289 -6.614 1.00 0.00 H new ATOM 235 N ALA A 19 6.224 -5.000 -5.249 1.00 0.00 N ATOM 236 CA ALA A 19 4.860 -5.293 -5.672 1.00 0.00 C ATOM 237 C ALA A 19 4.080 -4.011 -5.939 1.00 0.00 C ATOM 238 O ALA A 19 4.591 -2.908 -5.740 1.00 0.00 O ATOM 239 CB ALA A 19 4.152 -6.136 -4.621 1.00 0.00 C ATOM 0 H ALA A 19 6.292 -4.365 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 19 4.908 -5.857 -6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.134 -6.348 -4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.691 -7.073 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.123 -5.592 -3.677 1.00 0.00 H new ATOM 245 N THR A 20 2.839 -4.162 -6.390 1.00 0.00 N ATOM 246 CA THR A 20 1.988 -3.016 -6.685 1.00 0.00 C ATOM 247 C THR A 20 0.558 -3.257 -6.218 1.00 0.00 C ATOM 248 O THR A 20 0.140 -4.400 -6.026 1.00 0.00 O ATOM 249 CB THR A 20 1.976 -2.699 -8.193 1.00 0.00 C ATOM 250 OG1 THR A 20 2.096 -3.909 -8.949 1.00 0.00 O ATOM 251 CG2 THR A 20 3.112 -1.753 -8.556 1.00 0.00 C ATOM 0 H THR A 20 2.401 -5.067 -6.559 1.00 0.00 H new ATOM 0 HA THR A 20 2.405 -2.166 -6.145 1.00 0.00 H new ATOM 0 HB THR A 20 1.030 -2.214 -8.433 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.086 -3.699 -9.906 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.083 -1.544 -9.625 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.001 -0.822 -8.001 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.066 -2.216 -8.302 1.00 0.00 H new ATOM 259 N VAL A 21 -0.191 -2.174 -6.034 1.00 0.00 N ATOM 260 CA VAL A 21 -1.576 -2.268 -5.590 1.00 0.00 C ATOM 261 C VAL A 21 -2.481 -1.357 -6.413 1.00 0.00 C ATOM 262 O VAL A 21 -2.526 -0.147 -6.191 1.00 0.00 O ATOM 263 CB VAL A 21 -1.714 -1.902 -4.101 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.118 -0.529 -3.831 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.173 -1.952 -3.673 1.00 0.00 C ATOM 0 H VAL A 21 0.139 -1.221 -6.186 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.884 -3.304 -5.732 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.161 -2.634 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.225 -0.288 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.061 -0.532 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.640 0.218 -4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.252 -1.691 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.751 -1.243 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.563 -2.958 -3.828 1.00 0.00 H new ATOM 275 N ALA A 22 -3.199 -1.946 -7.363 1.00 0.00 N ATOM 276 CA ALA A 22 -4.105 -1.188 -8.217 1.00 0.00 C ATOM 277 C ALA A 22 -5.241 -0.575 -7.405 1.00 0.00 C ATOM 278 O ALA A 22 -6.105 -1.287 -6.892 1.00 0.00 O ATOM 279 CB ALA A 22 -4.661 -2.077 -9.318 1.00 0.00 C ATOM 0 H ALA A 22 -3.171 -2.946 -7.561 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.539 -0.375 -8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.336 -1.497 -9.948 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.841 -2.462 -9.924 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.206 -2.910 -8.873 1.00 0.00 H new ATOM 285 N ILE A 23 -5.234 0.749 -7.292 1.00 0.00 N ATOM 286 CA ILE A 23 -6.265 1.457 -6.543 1.00 0.00 C ATOM 287 C ILE A 23 -6.673 2.743 -7.251 1.00 0.00 C ATOM 288 O ILE A 23 -5.915 3.321 -8.031 1.00 0.00 O ATOM 289 CB ILE A 23 -5.791 1.797 -5.117 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.360 2.340 -5.148 1.00 0.00 C ATOM 291 CG2 ILE A 23 -5.878 0.570 -4.222 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.927 2.975 -3.845 1.00 0.00 C ATOM 0 H ILE A 23 -4.526 1.353 -7.709 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.125 0.790 -6.482 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.444 2.568 -4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.676 1.527 -5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.277 3.076 -5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.540 0.827 -3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.911 0.223 -4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.246 -0.221 -4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.903 3.337 -3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.587 3.810 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.978 2.236 -3.045 1.00 0.00 H new ATOM 304 N PRO A 24 -7.902 3.206 -6.974 1.00 0.00 N ATOM 305 CA PRO A 24 -8.440 4.432 -7.573 1.00 0.00 C ATOM 306 C PRO A 24 -7.743 5.686 -7.054 1.00 0.00 C ATOM 307 O PRO A 24 -7.341 5.747 -5.891 1.00 0.00 O ATOM 308 CB PRO A 24 -9.909 4.420 -7.147 1.00 0.00 C ATOM 309 CG PRO A 24 -9.934 3.611 -5.896 1.00 0.00 C ATOM 310 CD PRO A 24 -8.860 2.570 -6.055 1.00 0.00 C ATOM 0 HA PRO A 24 -8.296 4.455 -8.653 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.279 5.430 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.541 3.978 -7.917 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.746 4.236 -5.023 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.909 3.147 -5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.397 2.322 -5.100 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.257 1.642 -6.467 1.00 0.00 H new ATOM 318 N LYS A 25 -7.603 6.682 -7.921 1.00 0.00 N ATOM 319 CA LYS A 25 -6.957 7.935 -7.549 1.00 0.00 C ATOM 320 C LYS A 25 -7.674 8.589 -6.372 1.00 0.00 C ATOM 321 O LYS A 25 -7.167 9.538 -5.776 1.00 0.00 O ATOM 322 CB LYS A 25 -6.933 8.894 -8.742 1.00 0.00 C ATOM 323 CG LYS A 25 -5.781 9.882 -8.705 1.00 0.00 C ATOM 324 CD LYS A 25 -4.552 9.333 -9.412 1.00 0.00 C ATOM 325 CE LYS A 25 -4.720 9.361 -10.924 1.00 0.00 C ATOM 326 NZ LYS A 25 -3.954 8.270 -11.587 1.00 0.00 N ATOM 0 H LYS A 25 -7.928 6.646 -8.887 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.933 7.712 -7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.873 8.314 -9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.873 9.445 -8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.086 10.816 -9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.533 10.114 -7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.677 9.919 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.369 8.310 -9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.777 9.267 -11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.386 10.325 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.492 8.640 -12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.232 7.906 -10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.603 7.501 -11.850 1.00 0.00 H new ATOM 340 N GLU A 26 -8.854 8.073 -6.044 1.00 0.00 N ATOM 341 CA GLU A 26 -9.640 8.608 -4.937 1.00 0.00 C ATOM 342 C GLU A 26 -9.172 8.025 -3.607 1.00 0.00 C ATOM 343 O GLU A 26 -9.405 8.605 -2.546 1.00 0.00 O ATOM 344 CB GLU A 26 -11.125 8.306 -5.144 1.00 0.00 C ATOM 345 CG GLU A 26 -11.563 6.974 -4.561 1.00 0.00 C ATOM 346 CD GLU A 26 -12.749 6.377 -5.293 1.00 0.00 C ATOM 347 OE1 GLU A 26 -12.684 6.266 -6.535 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.742 6.023 -4.625 1.00 0.00 O ATOM 0 H GLU A 26 -9.287 7.286 -6.528 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.497 9.688 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.715 9.103 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.343 8.315 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.728 6.274 -4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.820 7.109 -3.510 1.00 0.00 H new ATOM 355 N HIS A 27 -8.511 6.873 -3.672 1.00 0.00 N ATOM 356 CA HIS A 27 -8.009 6.211 -2.473 1.00 0.00 C ATOM 357 C HIS A 27 -6.549 6.576 -2.221 1.00 0.00 C ATOM 358 O HIS A 27 -6.045 6.426 -1.107 1.00 0.00 O ATOM 359 CB HIS A 27 -8.153 4.695 -2.604 1.00 0.00 C ATOM 360 CG HIS A 27 -9.577 4.230 -2.649 1.00 0.00 C ATOM 361 ND1 HIS A 27 -9.938 2.945 -2.992 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.731 4.888 -2.391 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.254 2.831 -2.944 1.00 0.00 C ATOM 364 NE2 HIS A 27 -11.759 3.996 -2.582 1.00 0.00 N ATOM 0 H HIS A 27 -8.311 6.379 -4.542 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.602 6.553 -1.624 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.643 4.367 -3.510 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.650 4.217 -1.764 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -9.290 2.198 -3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.826 5.921 -2.091 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.820 1.937 -3.163 1.00 0.00 H new ATOM 372 N HIS A 28 -5.875 7.052 -3.263 1.00 0.00 N ATOM 373 CA HIS A 28 -4.473 7.438 -3.154 1.00 0.00 C ATOM 374 C HIS A 28 -4.280 8.485 -2.062 1.00 0.00 C ATOM 375 O HIS A 28 -3.368 8.379 -1.242 1.00 0.00 O ATOM 376 CB HIS A 28 -3.965 7.978 -4.491 1.00 0.00 C ATOM 377 CG HIS A 28 -3.543 6.908 -5.449 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.390 6.982 -6.202 1.00 0.00 N ATOM 379 CD2 HIS A 28 -4.126 5.729 -5.773 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.283 5.899 -6.949 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.324 5.122 -6.707 1.00 0.00 N ATOM 0 H HIS A 28 -6.277 7.180 -4.192 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.898 6.551 -2.887 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.749 8.578 -4.952 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.121 8.643 -4.308 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.050 5.339 -5.371 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.481 5.685 -7.640 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.503 4.218 -7.144 1.00 0.00 H new ATOM 389 N ARG A 29 -5.143 9.496 -2.059 1.00 0.00 N ATOM 390 CA ARG A 29 -5.066 10.563 -1.070 1.00 0.00 C ATOM 391 C ARG A 29 -5.191 10.004 0.344 1.00 0.00 C ATOM 392 O ARG A 29 -4.555 10.496 1.277 1.00 0.00 O ATOM 393 CB ARG A 29 -6.164 11.599 -1.319 1.00 0.00 C ATOM 394 CG ARG A 29 -7.558 11.109 -0.960 1.00 0.00 C ATOM 395 CD ARG A 29 -8.572 12.240 -0.993 1.00 0.00 C ATOM 396 NE ARG A 29 -8.529 13.049 0.223 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.032 12.653 1.387 1.00 0.00 C ATOM 398 NH1 ARG A 29 -9.613 11.465 1.493 1.00 0.00 N ATOM 399 NH2 ARG A 29 -8.956 13.445 2.449 1.00 0.00 N ATOM 0 H ARG A 29 -5.904 9.598 -2.731 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.093 11.044 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.943 12.496 -0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.149 11.886 -2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.861 10.327 -1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.543 10.662 0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.379 12.875 -1.858 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.573 11.826 -1.118 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.089 13.968 0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.674 10.853 0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.998 11.164 2.388 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.511 14.360 2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.343 13.139 3.342 1.00 0.00 H new ATOM 413 N PHE A 30 -6.016 8.974 0.496 1.00 0.00 N ATOM 414 CA PHE A 30 -6.226 8.348 1.796 1.00 0.00 C ATOM 415 C PHE A 30 -4.965 7.625 2.263 1.00 0.00 C ATOM 416 O PHE A 30 -4.716 7.500 3.462 1.00 0.00 O ATOM 417 CB PHE A 30 -7.395 7.363 1.730 1.00 0.00 C ATOM 418 CG PHE A 30 -8.733 8.004 1.965 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.111 8.404 3.237 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.613 8.208 0.913 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.341 8.996 3.457 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.843 8.799 1.128 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.209 9.192 2.400 1.00 0.00 C ATOM 0 H PHE A 30 -6.550 8.555 -0.265 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.461 9.134 2.514 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.399 6.881 0.752 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.241 6.579 2.471 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.437 8.251 4.067 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.334 7.902 -0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.623 9.305 4.453 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.519 8.954 0.300 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.172 9.652 2.568 1.00 0.00 H new ATOM 433 N VAL A 31 -4.173 7.152 1.306 1.00 0.00 N ATOM 434 CA VAL A 31 -2.938 6.443 1.617 1.00 0.00 C ATOM 435 C VAL A 31 -1.827 7.416 1.999 1.00 0.00 C ATOM 436 O VAL A 31 -0.997 7.119 2.860 1.00 0.00 O ATOM 437 CB VAL A 31 -2.468 5.586 0.427 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.174 4.862 0.769 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.550 4.598 0.023 1.00 0.00 C ATOM 0 H VAL A 31 -4.365 7.247 0.309 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.152 5.790 2.463 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.275 6.245 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.857 4.261 -0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.400 5.592 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.337 4.213 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.201 4.001 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.776 3.942 0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.450 5.142 -0.266 1.00 0.00 H new ATOM 449 N ILE A 32 -1.819 8.577 1.355 1.00 0.00 N ATOM 450 CA ILE A 32 -0.810 9.594 1.629 1.00 0.00 C ATOM 451 C ILE A 32 -1.052 10.258 2.981 1.00 0.00 C ATOM 452 O ILE A 32 -0.123 10.450 3.764 1.00 0.00 O ATOM 453 CB ILE A 32 -0.791 10.677 0.533 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.498 10.049 -0.830 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.240 11.746 0.863 1.00 0.00 C ATOM 456 CD1 ILE A 32 -0.787 10.971 -1.994 1.00 0.00 C ATOM 0 H ILE A 32 -2.499 8.838 0.640 1.00 0.00 H new ATOM 0 HA ILE A 32 0.155 9.087 1.644 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.773 11.148 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.549 9.749 -0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.093 9.142 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.242 12.504 0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.010 12.210 1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.228 11.290 0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.556 10.460 -2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.840 11.251 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.173 11.867 -1.909 1.00 0.00 H new ATOM 468 N GLY A 33 -2.308 10.605 3.247 1.00 0.00 N ATOM 469 CA GLY A 33 -2.650 11.242 4.506 1.00 0.00 C ATOM 470 C GLY A 33 -3.258 12.617 4.313 1.00 0.00 C ATOM 471 O GLY A 33 -2.916 13.329 3.368 1.00 0.00 O ATOM 0 H GLY A 33 -3.094 10.457 2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.352 10.611 5.050 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.755 11.327 5.122 1.00 0.00 H new ATOM 475 N LYS A 34 -4.165 12.992 5.209 1.00 0.00 N ATOM 476 CA LYS A 34 -4.825 14.290 5.134 1.00 0.00 C ATOM 477 C LYS A 34 -3.810 15.402 4.892 1.00 0.00 C ATOM 478 O LYS A 34 -3.931 16.170 3.939 1.00 0.00 O ATOM 479 CB LYS A 34 -5.601 14.566 6.423 1.00 0.00 C ATOM 480 CG LYS A 34 -6.193 15.963 6.491 1.00 0.00 C ATOM 481 CD LYS A 34 -7.424 16.090 5.610 1.00 0.00 C ATOM 482 CE LYS A 34 -8.079 17.455 5.760 1.00 0.00 C ATOM 483 NZ LYS A 34 -8.844 17.840 4.543 1.00 0.00 N ATOM 0 H LYS A 34 -4.460 12.415 5.996 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.521 14.268 4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.404 13.835 6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.937 14.420 7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.457 16.198 7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.445 16.692 6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.145 15.932 4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.141 15.311 5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.748 17.444 6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.314 18.205 5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.275 18.776 4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.202 17.875 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.591 17.138 4.366 1.00 0.00 H new ATOM 497 N ASN A 35 -2.807 15.481 5.760 1.00 0.00 N ATOM 498 CA ASN A 35 -1.769 16.500 5.640 1.00 0.00 C ATOM 499 C ASN A 35 -0.437 15.875 5.238 1.00 0.00 C ATOM 500 O ASN A 35 0.607 16.524 5.289 1.00 0.00 O ATOM 501 CB ASN A 35 -1.612 17.256 6.961 1.00 0.00 C ATOM 502 CG ASN A 35 -1.620 16.331 8.162 1.00 0.00 C ATOM 503 OD1 ASN A 35 -0.619 15.682 8.467 1.00 0.00 O ATOM 504 ND2 ASN A 35 -2.754 16.264 8.850 1.00 0.00 N ATOM 0 H ASN A 35 -2.690 14.852 6.554 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.071 17.201 4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.678 17.819 6.946 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.420 17.981 7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.820 15.657 9.667 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.559 16.820 8.561 1.00 0.00 H new ATOM 511 N GLY A 36 -0.482 14.607 4.836 1.00 0.00 N ATOM 512 CA GLY A 36 0.728 13.915 4.430 1.00 0.00 C ATOM 513 C GLY A 36 1.482 13.329 5.606 1.00 0.00 C ATOM 514 O GLY A 36 2.670 13.600 5.788 1.00 0.00 O ATOM 0 H GLY A 36 -1.334 14.048 4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.470 13.117 3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.377 14.608 3.895 1.00 0.00 H new ATOM 518 N GLU A 37 0.794 12.524 6.408 1.00 0.00 N ATOM 519 CA GLU A 37 1.407 11.900 7.575 1.00 0.00 C ATOM 520 C GLU A 37 1.138 10.398 7.594 1.00 0.00 C ATOM 521 O GLU A 37 1.651 9.675 8.447 1.00 0.00 O ATOM 522 CB GLU A 37 0.879 12.540 8.861 1.00 0.00 C ATOM 523 CG GLU A 37 -0.638 12.576 8.943 1.00 0.00 C ATOM 524 CD GLU A 37 -1.145 12.593 10.372 1.00 0.00 C ATOM 525 OE1 GLU A 37 -0.651 13.419 11.168 1.00 0.00 O ATOM 526 OE2 GLU A 37 -2.036 11.779 10.695 1.00 0.00 O ATOM 0 H GLU A 37 -0.189 12.288 6.271 1.00 0.00 H new ATOM 0 HA GLU A 37 2.484 12.058 7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.268 11.989 9.717 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.263 13.557 8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.005 13.459 8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.047 11.707 8.427 1.00 0.00 H new ATOM 533 N LYS A 38 0.330 9.936 6.646 1.00 0.00 N ATOM 534 CA LYS A 38 -0.008 8.521 6.551 1.00 0.00 C ATOM 535 C LYS A 38 1.048 7.761 5.753 1.00 0.00 C ATOM 536 O LYS A 38 1.457 6.664 6.134 1.00 0.00 O ATOM 537 CB LYS A 38 -1.380 8.347 5.896 1.00 0.00 C ATOM 538 CG LYS A 38 -1.813 6.896 5.769 1.00 0.00 C ATOM 539 CD LYS A 38 -2.012 6.252 7.130 1.00 0.00 C ATOM 540 CE LYS A 38 -2.883 5.008 7.037 1.00 0.00 C ATOM 541 NZ LYS A 38 -3.464 4.638 8.358 1.00 0.00 N ATOM 0 H LYS A 38 -0.103 10.522 5.932 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.039 8.112 7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.124 8.890 6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.360 8.800 4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.741 6.841 5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.062 6.339 5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.043 5.988 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.472 6.970 7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.687 5.180 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.290 4.177 6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.051 3.786 8.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.697 4.449 9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.051 5.421 8.711 1.00 0.00 H new ATOM 555 N LEU A 39 1.487 8.353 4.648 1.00 0.00 N ATOM 556 CA LEU A 39 2.497 7.733 3.798 1.00 0.00 C ATOM 557 C LEU A 39 3.843 7.667 4.511 1.00 0.00 C ATOM 558 O LEU A 39 4.485 6.617 4.549 1.00 0.00 O ATOM 559 CB LEU A 39 2.638 8.511 2.489 1.00 0.00 C ATOM 560 CG LEU A 39 4.001 8.428 1.801 1.00 0.00 C ATOM 561 CD1 LEU A 39 4.208 7.049 1.192 1.00 0.00 C ATOM 562 CD2 LEU A 39 4.129 9.507 0.737 1.00 0.00 C ATOM 0 H LEU A 39 1.159 9.261 4.320 1.00 0.00 H new ATOM 0 HA LEU A 39 2.174 6.716 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.880 8.152 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.417 9.560 2.688 1.00 0.00 H new ATOM 0 HG LEU A 39 4.775 8.592 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.183 7.008 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.161 6.294 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.428 6.856 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.105 9.432 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.347 9.375 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.026 10.488 1.200 1.00 0.00 H new ATOM 574 N GLN A 40 4.263 8.795 5.077 1.00 0.00 N ATOM 575 CA GLN A 40 5.532 8.863 5.790 1.00 0.00 C ATOM 576 C GLN A 40 5.592 7.818 6.899 1.00 0.00 C ATOM 577 O GLN A 40 6.628 7.193 7.122 1.00 0.00 O ATOM 578 CB GLN A 40 5.736 10.260 6.379 1.00 0.00 C ATOM 579 CG GLN A 40 5.178 10.416 7.785 1.00 0.00 C ATOM 580 CD GLN A 40 5.441 11.789 8.369 1.00 0.00 C ATOM 581 OE1 GLN A 40 5.025 12.805 7.810 1.00 0.00 O ATOM 582 NE2 GLN A 40 6.136 11.828 9.500 1.00 0.00 N ATOM 0 H GLN A 40 3.743 9.672 5.055 1.00 0.00 H new ATOM 0 HA GLN A 40 6.330 8.656 5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.802 10.487 6.393 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.263 10.993 5.726 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.104 10.233 7.768 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.620 9.659 8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.461 10.962 9.929 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.345 12.724 9.940 1.00 0.00 H new ATOM 591 N ASP A 41 4.473 7.634 7.592 1.00 0.00 N ATOM 592 CA ASP A 41 4.397 6.665 8.678 1.00 0.00 C ATOM 593 C ASP A 41 4.451 5.238 8.138 1.00 0.00 C ATOM 594 O ASP A 41 5.170 4.390 8.666 1.00 0.00 O ATOM 595 CB ASP A 41 3.114 6.869 9.484 1.00 0.00 C ATOM 596 CG ASP A 41 3.213 6.300 10.887 1.00 0.00 C ATOM 597 OD1 ASP A 41 2.954 5.090 11.054 1.00 0.00 O ATOM 598 OD2 ASP A 41 3.550 7.064 11.815 1.00 0.00 O ATOM 0 H ASP A 41 3.606 8.144 7.420 1.00 0.00 H new ATOM 0 HA ASP A 41 5.256 6.821 9.331 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.891 7.934 9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.282 6.397 8.962 1.00 0.00 H new ATOM 603 N LEU A 42 3.684 4.982 7.083 1.00 0.00 N ATOM 604 CA LEU A 42 3.642 3.658 6.472 1.00 0.00 C ATOM 605 C LEU A 42 5.029 3.233 6.000 1.00 0.00 C ATOM 606 O LEU A 42 5.504 2.148 6.335 1.00 0.00 O ATOM 607 CB LEU A 42 2.665 3.649 5.295 1.00 0.00 C ATOM 608 CG LEU A 42 1.217 3.288 5.628 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.325 3.488 4.412 1.00 0.00 C ATOM 610 CD2 LEU A 42 1.127 1.855 6.129 1.00 0.00 C ATOM 0 H LEU A 42 3.084 5.673 6.634 1.00 0.00 H new ATOM 0 HA LEU A 42 3.301 2.947 7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.675 4.636 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.032 2.944 4.549 1.00 0.00 H new ATOM 0 HG LEU A 42 0.869 3.951 6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.702 3.226 4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.366 4.531 4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.671 2.850 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.089 1.615 6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.492 1.176 5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.735 1.745 7.027 1.00 0.00 H new ATOM 622 N GLU A 43 5.674 4.096 5.222 1.00 0.00 N ATOM 623 CA GLU A 43 7.008 3.810 4.705 1.00 0.00 C ATOM 624 C GLU A 43 7.939 3.357 5.825 1.00 0.00 C ATOM 625 O GLU A 43 8.771 2.468 5.636 1.00 0.00 O ATOM 626 CB GLU A 43 7.588 5.046 4.013 1.00 0.00 C ATOM 627 CG GLU A 43 7.207 5.157 2.547 1.00 0.00 C ATOM 628 CD GLU A 43 7.857 6.344 1.864 1.00 0.00 C ATOM 629 OE1 GLU A 43 7.612 7.489 2.301 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.611 6.130 0.891 1.00 0.00 O ATOM 0 H GLU A 43 5.295 4.999 4.936 1.00 0.00 H new ATOM 0 HA GLU A 43 6.922 3.003 3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.247 5.939 4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.675 5.023 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.496 4.242 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.124 5.242 2.462 1.00 0.00 H new ATOM 637 N LEU A 44 7.795 3.974 6.993 1.00 0.00 N ATOM 638 CA LEU A 44 8.623 3.635 8.146 1.00 0.00 C ATOM 639 C LEU A 44 8.159 2.331 8.784 1.00 0.00 C ATOM 640 O LEU A 44 8.885 1.336 8.791 1.00 0.00 O ATOM 641 CB LEU A 44 8.583 4.764 9.177 1.00 0.00 C ATOM 642 CG LEU A 44 9.491 5.962 8.897 1.00 0.00 C ATOM 643 CD1 LEU A 44 9.309 7.031 9.962 1.00 0.00 C ATOM 644 CD2 LEU A 44 10.945 5.522 8.821 1.00 0.00 C ATOM 0 H LEU A 44 7.113 4.712 7.167 1.00 0.00 H new ATOM 0 HA LEU A 44 9.648 3.504 7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.556 5.122 9.254 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.850 4.350 10.149 1.00 0.00 H new ATOM 0 HG LEU A 44 9.211 6.389 7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.963 7.875 9.746 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.272 7.367 9.967 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.561 6.618 10.939 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.577 6.387 8.621 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.238 5.070 9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.063 4.793 8.019 1.00 0.00 H new ATOM 656 N LYS A 45 6.942 2.340 9.321 1.00 0.00 N ATOM 657 CA LYS A 45 6.379 1.157 9.961 1.00 0.00 C ATOM 658 C LYS A 45 6.631 -0.089 9.118 1.00 0.00 C ATOM 659 O LYS A 45 6.870 -1.174 9.650 1.00 0.00 O ATOM 660 CB LYS A 45 4.876 1.340 10.182 1.00 0.00 C ATOM 661 CG LYS A 45 4.229 0.192 10.938 1.00 0.00 C ATOM 662 CD LYS A 45 2.752 0.066 10.602 1.00 0.00 C ATOM 663 CE LYS A 45 1.906 1.007 11.445 1.00 0.00 C ATOM 664 NZ LYS A 45 1.763 0.522 12.845 1.00 0.00 N ATOM 0 H LYS A 45 6.327 3.154 9.325 1.00 0.00 H new ATOM 0 HA LYS A 45 6.870 1.027 10.926 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.708 2.266 10.731 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.386 1.449 9.215 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.740 -0.740 10.694 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.347 0.349 12.010 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.598 0.285 9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.427 -0.962 10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.360 1.998 11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.919 1.110 10.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.048 1.093 13.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.466 -0.475 12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.675 0.608 13.337 1.00 0.00 H new ATOM 678 N THR A 46 6.578 0.072 7.800 1.00 0.00 N ATOM 679 CA THR A 46 6.801 -1.040 6.884 1.00 0.00 C ATOM 680 C THR A 46 8.227 -1.031 6.346 1.00 0.00 C ATOM 681 O THR A 46 8.703 -2.029 5.806 1.00 0.00 O ATOM 682 CB THR A 46 5.817 -0.998 5.698 1.00 0.00 C ATOM 683 OG1 THR A 46 6.182 0.052 4.795 1.00 0.00 O ATOM 684 CG2 THR A 46 4.393 -0.780 6.186 1.00 0.00 C ATOM 0 H THR A 46 6.382 0.962 7.342 1.00 0.00 H new ATOM 0 HA THR A 46 6.635 -1.955 7.452 1.00 0.00 H new ATOM 0 HB THR A 46 5.866 -1.956 5.180 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.130 0.914 5.258 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.716 -0.754 5.332 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.107 -1.595 6.851 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.334 0.165 6.725 1.00 0.00 H new ATOM 692 N ALA A 47 8.905 0.102 6.497 1.00 0.00 N ATOM 693 CA ALA A 47 10.279 0.240 6.029 1.00 0.00 C ATOM 694 C ALA A 47 10.383 -0.063 4.538 1.00 0.00 C ATOM 695 O ALA A 47 11.383 -0.610 4.072 1.00 0.00 O ATOM 696 CB ALA A 47 11.200 -0.677 6.820 1.00 0.00 C ATOM 0 H ALA A 47 8.525 0.938 6.940 1.00 0.00 H new ATOM 0 HA ALA A 47 10.589 1.273 6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.223 -0.564 6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.156 -0.413 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.882 -1.712 6.690 1.00 0.00 H new ATOM 702 N THR A 48 9.343 0.296 3.791 1.00 0.00 N ATOM 703 CA THR A 48 9.317 0.062 2.353 1.00 0.00 C ATOM 704 C THR A 48 9.424 1.372 1.581 1.00 0.00 C ATOM 705 O THR A 48 9.421 2.454 2.168 1.00 0.00 O ATOM 706 CB THR A 48 8.030 -0.668 1.927 1.00 0.00 C ATOM 707 OG1 THR A 48 6.882 0.096 2.312 1.00 0.00 O ATOM 708 CG2 THR A 48 7.959 -2.051 2.556 1.00 0.00 C ATOM 0 H THR A 48 8.507 0.750 4.159 1.00 0.00 H new ATOM 0 HA THR A 48 10.177 -0.566 2.119 1.00 0.00 H new ATOM 0 HB THR A 48 8.044 -0.779 0.843 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.846 0.163 3.289 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.041 -2.547 2.241 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.819 -2.640 2.237 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.966 -1.958 3.642 1.00 0.00 H new ATOM 716 N LYS A 49 9.517 1.268 0.260 1.00 0.00 N ATOM 717 CA LYS A 49 9.623 2.445 -0.595 1.00 0.00 C ATOM 718 C LYS A 49 8.339 2.658 -1.389 1.00 0.00 C ATOM 719 O LYS A 49 8.219 2.204 -2.528 1.00 0.00 O ATOM 720 CB LYS A 49 10.809 2.300 -1.552 1.00 0.00 C ATOM 721 CG LYS A 49 12.113 2.839 -0.991 1.00 0.00 C ATOM 722 CD LYS A 49 12.573 2.042 0.218 1.00 0.00 C ATOM 723 CE LYS A 49 13.278 0.759 -0.197 1.00 0.00 C ATOM 724 NZ LYS A 49 14.731 0.980 -0.443 1.00 0.00 N ATOM 0 H LYS A 49 9.521 0.380 -0.242 1.00 0.00 H new ATOM 0 HA LYS A 49 9.783 3.314 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.938 1.246 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.580 2.821 -2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.882 2.808 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.985 3.885 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.247 2.650 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.714 1.801 0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.152 0.007 0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.812 0.364 -1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.176 0.083 -0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.852 1.679 -1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.181 1.333 0.426 1.00 0.00 H new ATOM 738 N ILE A 50 7.382 3.351 -0.782 1.00 0.00 N ATOM 739 CA ILE A 50 6.108 3.627 -1.435 1.00 0.00 C ATOM 740 C ILE A 50 6.236 4.774 -2.430 1.00 0.00 C ATOM 741 O ILE A 50 6.698 5.861 -2.083 1.00 0.00 O ATOM 742 CB ILE A 50 5.013 3.973 -0.407 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.820 2.816 0.575 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.706 4.296 -1.116 1.00 0.00 C ATOM 745 CD1 ILE A 50 3.984 3.181 1.781 1.00 0.00 C ATOM 0 H ILE A 50 7.464 3.732 0.161 1.00 0.00 H new ATOM 0 HA ILE A 50 5.823 2.719 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 50 5.327 4.853 0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.348 1.983 0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.797 2.469 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.942 4.538 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.853 5.148 -1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.386 3.433 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.889 2.313 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.466 3.993 2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.994 3.500 1.455 1.00 0.00 H new ATOM 757 N GLN A 51 5.823 4.525 -3.669 1.00 0.00 N ATOM 758 CA GLN A 51 5.891 5.538 -4.715 1.00 0.00 C ATOM 759 C GLN A 51 4.517 5.777 -5.332 1.00 0.00 C ATOM 760 O GLN A 51 3.904 4.860 -5.879 1.00 0.00 O ATOM 761 CB GLN A 51 6.884 5.116 -5.800 1.00 0.00 C ATOM 762 CG GLN A 51 7.553 6.286 -6.501 1.00 0.00 C ATOM 763 CD GLN A 51 6.672 6.910 -7.565 1.00 0.00 C ATOM 764 OE1 GLN A 51 5.789 7.714 -7.264 1.00 0.00 O ATOM 765 NE2 GLN A 51 6.907 6.543 -8.820 1.00 0.00 N ATOM 0 H GLN A 51 5.438 3.631 -3.972 1.00 0.00 H new ATOM 0 HA GLN A 51 6.233 6.469 -4.262 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.651 4.484 -5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.364 4.509 -6.541 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.817 7.044 -5.763 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.483 5.947 -6.957 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.649 5.874 -9.025 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.346 6.931 -9.578 1.00 0.00 H new ATOM 774 N ILE A 52 4.038 7.013 -5.238 1.00 0.00 N ATOM 775 CA ILE A 52 2.738 7.372 -5.789 1.00 0.00 C ATOM 776 C ILE A 52 2.885 8.301 -6.989 1.00 0.00 C ATOM 777 O ILE A 52 3.537 9.342 -6.922 1.00 0.00 O ATOM 778 CB ILE A 52 1.848 8.054 -4.731 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.671 7.141 -3.517 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.498 8.418 -5.331 1.00 0.00 C ATOM 781 CD1 ILE A 52 1.172 7.864 -2.286 1.00 0.00 C ATOM 0 H ILE A 52 4.531 7.782 -4.785 1.00 0.00 H new ATOM 0 HA ILE A 52 2.264 6.444 -6.109 1.00 0.00 H new ATOM 0 HB ILE A 52 2.336 8.971 -4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.971 6.345 -3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.625 6.666 -3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.120 8.899 -4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.644 9.102 -6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.001 7.514 -5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.070 7.155 -1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.883 8.642 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.203 8.317 -2.498 1.00 0.00 H new ATOM 793 N PRO A 53 2.263 7.917 -8.113 1.00 0.00 N ATOM 794 CA PRO A 53 2.308 8.702 -9.351 1.00 0.00 C ATOM 795 C PRO A 53 1.518 10.002 -9.242 1.00 0.00 C ATOM 796 O PRO A 53 0.471 10.049 -8.597 1.00 0.00 O ATOM 797 CB PRO A 53 1.669 7.772 -10.385 1.00 0.00 C ATOM 798 CG PRO A 53 0.784 6.874 -9.591 1.00 0.00 C ATOM 799 CD PRO A 53 1.469 6.686 -8.265 1.00 0.00 C ATOM 0 HA PRO A 53 3.323 9.007 -9.603 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.100 8.335 -11.126 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.425 7.204 -10.928 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.204 7.315 -9.461 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.643 5.919 -10.096 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.750 6.569 -7.454 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.101 5.798 -8.261 1.00 0.00 H new ATOM 807 N ARG A 54 2.026 11.053 -9.875 1.00 0.00 N ATOM 808 CA ARG A 54 1.367 12.353 -9.848 1.00 0.00 C ATOM 809 C ARG A 54 -0.137 12.206 -10.056 1.00 0.00 C ATOM 810 O ARG A 54 -0.616 11.222 -10.622 1.00 0.00 O ATOM 811 CB ARG A 54 1.955 13.269 -10.924 1.00 0.00 C ATOM 812 CG ARG A 54 3.304 13.860 -10.550 1.00 0.00 C ATOM 813 CD ARG A 54 4.432 12.869 -10.789 1.00 0.00 C ATOM 814 NE ARG A 54 5.726 13.533 -10.926 1.00 0.00 N ATOM 815 CZ ARG A 54 6.071 14.257 -11.985 1.00 0.00 C ATOM 816 NH1 ARG A 54 5.223 14.409 -12.993 1.00 0.00 N ATOM 817 NH2 ARG A 54 7.266 14.832 -12.036 1.00 0.00 N ATOM 0 H ARG A 54 2.892 11.030 -10.413 1.00 0.00 H new ATOM 0 HA ARG A 54 1.538 12.798 -8.868 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.059 12.706 -11.851 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.254 14.080 -11.121 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.482 14.763 -11.134 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.295 14.156 -9.501 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.474 12.161 -9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.223 12.293 -11.690 1.00 0.00 H new ATOM 0 HE ARG A 54 6.401 13.435 -10.168 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.303 13.970 -12.956 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.490 14.965 -13.805 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.920 14.718 -11.262 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.530 15.388 -12.849 1.00 0.00 H new ATOM 831 N PRO A 55 -0.901 13.203 -9.588 1.00 0.00 N ATOM 832 CA PRO A 55 -2.360 13.207 -9.712 1.00 0.00 C ATOM 833 C PRO A 55 -2.820 13.401 -11.152 1.00 0.00 C ATOM 834 O PRO A 55 -4.006 13.275 -11.458 1.00 0.00 O ATOM 835 CB PRO A 55 -2.786 14.399 -8.850 1.00 0.00 C ATOM 836 CG PRO A 55 -1.602 15.303 -8.841 1.00 0.00 C ATOM 837 CD PRO A 55 -0.396 14.405 -8.902 1.00 0.00 C ATOM 0 HA PRO A 55 -2.797 12.259 -9.400 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.661 14.897 -9.268 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.051 14.083 -7.841 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.625 15.985 -9.691 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.586 15.917 -7.941 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.423 14.868 -9.453 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.018 14.171 -7.907 1.00 0.00 H new ATOM 845 N ASP A 56 -1.875 13.707 -12.034 1.00 0.00 N ATOM 846 CA ASP A 56 -2.183 13.916 -13.444 1.00 0.00 C ATOM 847 C ASP A 56 -1.814 12.687 -14.268 1.00 0.00 C ATOM 848 O ASP A 56 -2.343 12.479 -15.361 1.00 0.00 O ATOM 849 CB ASP A 56 -1.438 15.142 -13.973 1.00 0.00 C ATOM 850 CG ASP A 56 -1.614 16.356 -13.082 1.00 0.00 C ATOM 851 OD1 ASP A 56 -0.860 16.480 -12.095 1.00 0.00 O ATOM 852 OD2 ASP A 56 -2.507 17.181 -13.371 1.00 0.00 O ATOM 0 H ASP A 56 -0.889 13.816 -11.797 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.256 14.084 -13.536 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.377 14.909 -14.059 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.796 15.376 -14.976 1.00 0.00 H new ATOM 857 N ASP A 57 -0.905 11.876 -13.739 1.00 0.00 N ATOM 858 CA ASP A 57 -0.465 10.667 -14.426 1.00 0.00 C ATOM 859 C ASP A 57 -1.571 9.615 -14.436 1.00 0.00 C ATOM 860 O ASP A 57 -2.301 9.438 -13.461 1.00 0.00 O ATOM 861 CB ASP A 57 0.789 10.102 -13.758 1.00 0.00 C ATOM 862 CG ASP A 57 1.687 9.371 -14.736 1.00 0.00 C ATOM 863 OD1 ASP A 57 2.320 10.043 -15.576 1.00 0.00 O ATOM 864 OD2 ASP A 57 1.756 8.126 -14.662 1.00 0.00 O ATOM 0 H ASP A 57 -0.458 12.034 -12.836 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.229 10.930 -15.457 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.348 10.915 -13.294 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.496 9.421 -12.959 1.00 0.00 H new ATOM 869 N PRO A 58 -1.698 8.901 -15.564 1.00 0.00 N ATOM 870 CA PRO A 58 -2.712 7.855 -15.728 1.00 0.00 C ATOM 871 C PRO A 58 -2.425 6.629 -14.868 1.00 0.00 C ATOM 872 O PRO A 58 -3.148 5.634 -14.926 1.00 0.00 O ATOM 873 CB PRO A 58 -2.618 7.499 -17.214 1.00 0.00 C ATOM 874 CG PRO A 58 -1.227 7.864 -17.603 1.00 0.00 C ATOM 875 CD PRO A 58 -0.863 9.058 -16.766 1.00 0.00 C ATOM 0 HA PRO A 58 -3.701 8.194 -15.418 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.810 6.439 -17.380 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.351 8.052 -17.801 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.541 7.036 -17.421 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.168 8.100 -18.666 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.199 9.067 -16.519 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.077 9.992 -17.285 1.00 0.00 H new ATOM 883 N SER A 59 -1.365 6.707 -14.069 1.00 0.00 N ATOM 884 CA SER A 59 -0.980 5.603 -13.199 1.00 0.00 C ATOM 885 C SER A 59 -1.687 5.701 -11.851 1.00 0.00 C ATOM 886 O SER A 59 -1.473 6.644 -11.092 1.00 0.00 O ATOM 887 CB SER A 59 0.536 5.592 -12.992 1.00 0.00 C ATOM 888 OG SER A 59 1.010 4.276 -12.764 1.00 0.00 O ATOM 0 H SER A 59 -0.758 7.524 -14.007 1.00 0.00 H new ATOM 0 HA SER A 59 -1.280 4.673 -13.681 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.029 6.013 -13.868 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.795 6.227 -12.145 1.00 0.00 H new ATOM 0 HG SER A 59 1.981 4.296 -12.636 1.00 0.00 H new ATOM 894 N ASN A 60 -2.534 4.717 -11.561 1.00 0.00 N ATOM 895 CA ASN A 60 -3.274 4.692 -10.304 1.00 0.00 C ATOM 896 C ASN A 60 -2.867 3.491 -9.457 1.00 0.00 C ATOM 897 O ASN A 60 -3.581 3.099 -8.534 1.00 0.00 O ATOM 898 CB ASN A 60 -4.780 4.651 -10.577 1.00 0.00 C ATOM 899 CG ASN A 60 -5.202 3.385 -11.297 1.00 0.00 C ATOM 900 OD1 ASN A 60 -4.710 3.083 -12.385 1.00 0.00 O ATOM 901 ND2 ASN A 60 -6.120 2.640 -10.693 1.00 0.00 N ATOM 0 H ASN A 60 -2.724 3.928 -12.179 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.035 5.601 -9.752 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.320 4.726 -9.633 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.062 5.517 -11.175 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.446 1.778 -11.130 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.500 2.930 -9.792 1.00 0.00 H new ATOM 908 N GLN A 61 -1.713 2.913 -9.776 1.00 0.00 N ATOM 909 CA GLN A 61 -1.211 1.756 -9.043 1.00 0.00 C ATOM 910 C GLN A 61 0.024 2.123 -8.227 1.00 0.00 C ATOM 911 O GLN A 61 1.034 2.564 -8.776 1.00 0.00 O ATOM 912 CB GLN A 61 -0.879 0.618 -10.010 1.00 0.00 C ATOM 913 CG GLN A 61 0.025 1.040 -11.157 1.00 0.00 C ATOM 914 CD GLN A 61 0.530 -0.139 -11.966 1.00 0.00 C ATOM 915 OE1 GLN A 61 1.725 -0.250 -12.243 1.00 0.00 O ATOM 916 NE2 GLN A 61 -0.378 -1.028 -12.348 1.00 0.00 N ATOM 0 H GLN A 61 -1.109 3.226 -10.536 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.991 1.425 -8.358 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.398 -0.189 -9.457 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.807 0.216 -10.418 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.520 1.719 -11.813 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.875 1.594 -10.760 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.358 -0.897 -12.096 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.096 -1.843 -12.893 1.00 0.00 H new ATOM 925 N ILE A 62 -0.065 1.939 -6.914 1.00 0.00 N ATOM 926 CA ILE A 62 1.046 2.251 -6.023 1.00 0.00 C ATOM 927 C ILE A 62 2.110 1.159 -6.069 1.00 0.00 C ATOM 928 O ILE A 62 1.802 -0.017 -6.265 1.00 0.00 O ATOM 929 CB ILE A 62 0.570 2.426 -4.569 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.146 3.768 -4.402 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.746 2.323 -3.610 1.00 0.00 C ATOM 932 CD1 ILE A 62 -0.799 3.941 -3.049 1.00 0.00 C ATOM 0 H ILE A 62 -0.894 1.576 -6.444 1.00 0.00 H new ATOM 0 HA ILE A 62 1.476 3.190 -6.371 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.135 1.628 -4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.571 4.575 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.906 3.864 -5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.393 2.449 -2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.216 1.345 -3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.473 3.101 -3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.287 4.915 -3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.540 3.156 -2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.041 3.877 -2.268 1.00 0.00 H new ATOM 944 N LYS A 63 3.365 1.556 -5.885 1.00 0.00 N ATOM 945 CA LYS A 63 4.476 0.612 -5.903 1.00 0.00 C ATOM 946 C LYS A 63 5.080 0.456 -4.510 1.00 0.00 C ATOM 947 O LYS A 63 5.380 1.445 -3.840 1.00 0.00 O ATOM 948 CB LYS A 63 5.552 1.077 -6.887 1.00 0.00 C ATOM 949 CG LYS A 63 6.577 0.006 -7.219 1.00 0.00 C ATOM 950 CD LYS A 63 7.270 0.289 -8.541 1.00 0.00 C ATOM 951 CE LYS A 63 8.650 -0.348 -8.594 1.00 0.00 C ATOM 952 NZ LYS A 63 8.574 -1.817 -8.833 1.00 0.00 N ATOM 0 H LYS A 63 3.638 2.525 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 63 4.092 -0.356 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.072 1.406 -7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.066 1.942 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.319 -0.048 -6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.087 -0.966 -7.265 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.661 -0.091 -9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.359 1.366 -8.683 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.235 0.119 -9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.174 -0.159 -7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.535 -2.214 -8.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.037 -2.266 -8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.097 -1.997 -9.740 1.00 0.00 H new ATOM 966 N ILE A 64 5.255 -0.789 -4.082 1.00 0.00 N ATOM 967 CA ILE A 64 5.825 -1.072 -2.771 1.00 0.00 C ATOM 968 C ILE A 64 7.051 -1.971 -2.887 1.00 0.00 C ATOM 969 O ILE A 64 6.981 -3.069 -3.440 1.00 0.00 O ATOM 970 CB ILE A 64 4.796 -1.744 -1.843 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.767 -2.522 -2.666 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.108 -0.703 -0.972 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.820 -3.349 -1.825 1.00 0.00 C ATOM 0 H ILE A 64 5.010 -1.618 -4.624 1.00 0.00 H new ATOM 0 HA ILE A 64 6.119 -0.114 -2.341 1.00 0.00 H new ATOM 0 HB ILE A 64 5.319 -2.445 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.188 -1.820 -3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.291 -3.179 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.384 -1.194 -0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.852 -0.189 -0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.595 0.020 -1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.119 -3.873 -2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.389 -4.075 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.269 -2.696 -1.149 1.00 0.00 H new ATOM 985 N THR A 65 8.176 -1.499 -2.360 1.00 0.00 N ATOM 986 CA THR A 65 9.419 -2.259 -2.404 1.00 0.00 C ATOM 987 C THR A 65 10.030 -2.393 -1.013 1.00 0.00 C ATOM 988 O THR A 65 9.913 -1.493 -0.184 1.00 0.00 O ATOM 989 CB THR A 65 10.447 -1.602 -3.343 1.00 0.00 C ATOM 990 OG1 THR A 65 9.866 -1.390 -4.635 1.00 0.00 O ATOM 991 CG2 THR A 65 11.689 -2.470 -3.478 1.00 0.00 C ATOM 0 H THR A 65 8.252 -0.593 -1.897 1.00 0.00 H new ATOM 0 HA THR A 65 9.171 -3.249 -2.786 1.00 0.00 H new ATOM 0 HB THR A 65 10.737 -0.643 -2.913 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.526 -0.970 -5.226 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.401 -1.985 -4.146 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.146 -2.606 -2.498 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.411 -3.441 -3.887 1.00 0.00 H new ATOM 999 N GLY A 66 10.686 -3.524 -0.766 1.00 0.00 N ATOM 1000 CA GLY A 66 11.307 -3.754 0.525 1.00 0.00 C ATOM 1001 C GLY A 66 11.351 -5.224 0.893 1.00 0.00 C ATOM 1002 O GLY A 66 11.421 -6.089 0.019 1.00 0.00 O ATOM 0 H GLY A 66 10.798 -4.284 -1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.321 -3.355 0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.758 -3.207 1.292 1.00 0.00 H new ATOM 1006 N THR A 67 11.312 -5.509 2.191 1.00 0.00 N ATOM 1007 CA THR A 67 11.351 -6.884 2.673 1.00 0.00 C ATOM 1008 C THR A 67 9.993 -7.559 2.519 1.00 0.00 C ATOM 1009 O THR A 67 8.950 -6.917 2.647 1.00 0.00 O ATOM 1010 CB THR A 67 11.779 -6.949 4.151 1.00 0.00 C ATOM 1011 OG1 THR A 67 11.196 -5.862 4.879 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.295 -6.896 4.278 1.00 0.00 C ATOM 0 H THR A 67 11.253 -4.806 2.927 1.00 0.00 H new ATOM 0 HA THR A 67 12.087 -7.411 2.066 1.00 0.00 H new ATOM 0 HB THR A 67 11.428 -7.893 4.567 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.472 -5.912 5.818 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.574 -6.943 5.331 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.734 -7.741 3.748 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.664 -5.966 3.846 1.00 0.00 H new ATOM 1020 N LYS A 68 10.012 -8.859 2.246 1.00 0.00 N ATOM 1021 CA LYS A 68 8.781 -9.624 2.077 1.00 0.00 C ATOM 1022 C LYS A 68 7.731 -9.197 3.096 1.00 0.00 C ATOM 1023 O LYS A 68 6.548 -9.093 2.775 1.00 0.00 O ATOM 1024 CB LYS A 68 9.064 -11.121 2.216 1.00 0.00 C ATOM 1025 CG LYS A 68 7.876 -12.000 1.863 1.00 0.00 C ATOM 1026 CD LYS A 68 6.995 -12.260 3.074 1.00 0.00 C ATOM 1027 CE LYS A 68 5.871 -13.231 2.747 1.00 0.00 C ATOM 1028 NZ LYS A 68 6.372 -14.624 2.585 1.00 0.00 N ATOM 0 H LYS A 68 10.866 -9.406 2.137 1.00 0.00 H new ATOM 0 HA LYS A 68 8.393 -9.425 1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.904 -11.385 1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.369 -11.331 3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.288 -11.521 1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.231 -12.948 1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.600 -12.663 3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.573 -11.319 3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.125 -13.203 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.373 -12.915 1.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.566 -15.273 2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.973 -14.680 1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.927 -14.893 3.422 1.00 0.00 H new ATOM 1042 N GLU A 69 8.172 -8.948 4.325 1.00 0.00 N ATOM 1043 CA GLU A 69 7.268 -8.530 5.391 1.00 0.00 C ATOM 1044 C GLU A 69 6.884 -7.062 5.235 1.00 0.00 C ATOM 1045 O GLU A 69 5.722 -6.692 5.400 1.00 0.00 O ATOM 1046 CB GLU A 69 7.918 -8.756 6.758 1.00 0.00 C ATOM 1047 CG GLU A 69 8.108 -10.222 7.107 1.00 0.00 C ATOM 1048 CD GLU A 69 9.359 -10.812 6.484 1.00 0.00 C ATOM 1049 OE1 GLU A 69 10.357 -10.075 6.347 1.00 0.00 O ATOM 1050 OE2 GLU A 69 9.340 -12.011 6.136 1.00 0.00 O ATOM 0 H GLU A 69 9.149 -9.028 4.607 1.00 0.00 H new ATOM 0 HA GLU A 69 6.363 -9.133 5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.888 -8.258 6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.303 -8.285 7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.160 -10.330 8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.238 -10.787 6.772 1.00 0.00 H new ATOM 1057 N GLY A 70 7.870 -6.228 4.916 1.00 0.00 N ATOM 1058 CA GLY A 70 7.616 -4.810 4.743 1.00 0.00 C ATOM 1059 C GLY A 70 6.546 -4.535 3.704 1.00 0.00 C ATOM 1060 O GLY A 70 5.531 -3.906 4.001 1.00 0.00 O ATOM 0 H GLY A 70 8.840 -6.510 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.311 -4.380 5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.540 -4.312 4.449 1.00 0.00 H new ATOM 1064 N ILE A 71 6.776 -5.006 2.483 1.00 0.00 N ATOM 1065 CA ILE A 71 5.824 -4.806 1.397 1.00 0.00 C ATOM 1066 C ILE A 71 4.440 -5.321 1.777 1.00 0.00 C ATOM 1067 O ILE A 71 3.447 -4.604 1.662 1.00 0.00 O ATOM 1068 CB ILE A 71 6.286 -5.510 0.108 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.649 -4.971 -0.334 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.254 -5.325 -0.995 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.298 -5.791 -1.427 1.00 0.00 C ATOM 0 H ILE A 71 7.612 -5.528 2.221 1.00 0.00 H new ATOM 0 HA ILE A 71 5.772 -3.732 1.216 1.00 0.00 H new ATOM 0 HB ILE A 71 6.387 -6.576 0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.529 -3.945 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.315 -4.938 0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.595 -5.828 -1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.303 -5.752 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.125 -4.262 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.260 -5.351 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.450 -6.811 -1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.652 -5.803 -2.305 1.00 0.00 H new ATOM 1083 N GLU A 72 4.384 -6.570 2.230 1.00 0.00 N ATOM 1084 CA GLU A 72 3.121 -7.181 2.628 1.00 0.00 C ATOM 1085 C GLU A 72 2.362 -6.280 3.598 1.00 0.00 C ATOM 1086 O GLU A 72 1.185 -5.981 3.394 1.00 0.00 O ATOM 1087 CB GLU A 72 3.370 -8.546 3.273 1.00 0.00 C ATOM 1088 CG GLU A 72 3.579 -9.666 2.267 1.00 0.00 C ATOM 1089 CD GLU A 72 4.409 -9.232 1.075 1.00 0.00 C ATOM 1090 OE1 GLU A 72 4.033 -8.237 0.419 1.00 0.00 O ATOM 1091 OE2 GLU A 72 5.436 -9.886 0.799 1.00 0.00 O ATOM 0 H GLU A 72 5.197 -7.177 2.330 1.00 0.00 H new ATOM 0 HA GLU A 72 2.514 -7.315 1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.247 -8.479 3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.523 -8.796 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.069 -10.505 2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.609 -10.023 1.919 1.00 0.00 H new ATOM 1098 N LYS A 73 3.044 -5.848 4.653 1.00 0.00 N ATOM 1099 CA LYS A 73 2.436 -4.981 5.654 1.00 0.00 C ATOM 1100 C LYS A 73 1.780 -3.770 4.999 1.00 0.00 C ATOM 1101 O LYS A 73 0.598 -3.503 5.212 1.00 0.00 O ATOM 1102 CB LYS A 73 3.489 -4.518 6.665 1.00 0.00 C ATOM 1103 CG LYS A 73 3.773 -5.536 7.756 1.00 0.00 C ATOM 1104 CD LYS A 73 4.939 -5.106 8.631 1.00 0.00 C ATOM 1105 CE LYS A 73 5.555 -6.289 9.361 1.00 0.00 C ATOM 1106 NZ LYS A 73 4.845 -6.582 10.638 1.00 0.00 N ATOM 0 H LYS A 73 4.019 -6.085 4.837 1.00 0.00 H new ATOM 0 HA LYS A 73 1.667 -5.552 6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.416 -4.297 6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.155 -3.588 7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.884 -5.668 8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.994 -6.503 7.304 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.698 -4.622 8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.598 -4.367 9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.525 -7.169 8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.605 -6.082 9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.294 -7.395 11.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.896 -5.751 11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.849 -6.805 10.438 1.00 0.00 H new ATOM 1120 N ALA A 74 2.554 -3.042 4.201 1.00 0.00 N ATOM 1121 CA ALA A 74 2.045 -1.863 3.511 1.00 0.00 C ATOM 1122 C ALA A 74 0.937 -2.234 2.533 1.00 0.00 C ATOM 1123 O ALA A 74 0.000 -1.463 2.318 1.00 0.00 O ATOM 1124 CB ALA A 74 3.175 -1.148 2.786 1.00 0.00 C ATOM 0 H ALA A 74 3.536 -3.248 4.016 1.00 0.00 H new ATOM 0 HA ALA A 74 1.623 -1.190 4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.781 -0.270 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.932 -0.839 3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.623 -1.822 2.056 1.00 0.00 H new ATOM 1130 N ARG A 75 1.049 -3.418 1.941 1.00 0.00 N ATOM 1131 CA ARG A 75 0.056 -3.890 0.982 1.00 0.00 C ATOM 1132 C ARG A 75 -1.249 -4.253 1.685 1.00 0.00 C ATOM 1133 O ARG A 75 -2.334 -4.072 1.133 1.00 0.00 O ATOM 1134 CB ARG A 75 0.591 -5.103 0.217 1.00 0.00 C ATOM 1135 CG ARG A 75 0.036 -5.226 -1.193 1.00 0.00 C ATOM 1136 CD ARG A 75 -0.028 -6.678 -1.640 1.00 0.00 C ATOM 1137 NE ARG A 75 -0.638 -6.818 -2.960 1.00 0.00 N ATOM 1138 CZ ARG A 75 -1.164 -7.952 -3.410 1.00 0.00 C ATOM 1139 NH1 ARG A 75 -1.154 -9.039 -2.651 1.00 0.00 N ATOM 1140 NH2 ARG A 75 -1.701 -8.000 -4.622 1.00 0.00 N ATOM 0 H ARG A 75 1.817 -4.068 2.108 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.144 -3.083 0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.678 -5.040 0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.350 -6.009 0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.961 -4.787 -1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.661 -4.659 -1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.978 -7.096 -1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.599 -7.256 -0.914 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.661 -6.000 -3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.742 -9.006 -1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.559 -9.908 -2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.710 -7.166 -5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.105 -8.871 -4.967 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.134 -4.768 2.906 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.305 -5.157 3.684 1.00 0.00 C ATOM 1156 C HIS A 76 -3.029 -3.928 4.228 1.00 0.00 C ATOM 1157 O HIS A 76 -4.243 -3.946 4.416 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.895 -6.073 4.837 1.00 0.00 C ATOM 1159 CG HIS A 76 -3.044 -6.805 5.458 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.615 -7.927 4.894 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.730 -6.571 6.601 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.602 -8.350 5.663 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.692 -7.545 6.706 1.00 0.00 N ATOM 0 H HIS A 76 -0.243 -4.925 3.377 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.986 -5.696 3.025 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.167 -6.798 4.473 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.397 -5.479 5.603 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.553 -5.767 7.301 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.229 -9.208 5.471 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.367 -7.633 7.466 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.272 -2.864 4.477 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.841 -1.628 5.002 1.00 0.00 C ATOM 1173 C GLU A 77 -3.433 -0.783 3.877 1.00 0.00 C ATOM 1174 O GLU A 77 -4.539 -0.257 3.997 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.776 -0.826 5.750 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.255 -1.520 6.997 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.295 -1.598 8.099 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -2.420 -0.620 8.866 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -2.984 -2.636 8.193 1.00 0.00 O ATOM 0 H GLU A 77 -1.264 -2.833 4.324 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.639 -1.891 5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.941 -0.631 5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.192 0.142 6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.929 -2.527 6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.379 -0.986 7.366 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.688 -0.658 2.783 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.138 0.122 1.637 1.00 0.00 C ATOM 1188 C VAL A 78 -4.386 -0.491 1.009 1.00 0.00 C ATOM 1189 O VAL A 78 -5.202 0.210 0.411 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.038 0.230 0.564 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -1.893 -1.086 -0.185 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.341 1.369 -0.397 1.00 0.00 C ATOM 0 H VAL A 78 -1.770 -1.087 2.667 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.374 1.120 2.007 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.091 0.446 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.112 -0.991 -0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.626 -1.876 0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.837 -1.335 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.554 1.431 -1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.297 1.186 -0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.390 2.308 0.155 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.527 -1.805 1.152 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.676 -2.514 0.601 1.00 0.00 C ATOM 1204 C LEU A 79 -6.871 -2.433 1.546 1.00 0.00 C ATOM 1205 O LEU A 79 -8.005 -2.220 1.113 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.318 -3.978 0.336 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.642 -4.272 -1.002 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -3.915 -5.607 -0.951 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.663 -4.262 -2.130 1.00 0.00 C ATOM 0 H LEU A 79 -3.860 -2.400 1.644 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.949 -2.037 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.661 -4.321 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.231 -4.571 0.397 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.909 -3.489 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.440 -5.799 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.155 -5.578 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.629 -6.402 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.163 -4.473 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.420 -5.023 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.138 -3.282 -2.182 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.610 -2.603 2.837 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.664 -2.547 3.844 1.00 0.00 C ATOM 1223 C LEU A 80 -8.396 -1.209 3.793 1.00 0.00 C ATOM 1224 O LEU A 80 -9.618 -1.154 3.930 1.00 0.00 O ATOM 1225 CB LEU A 80 -7.075 -2.766 5.238 1.00 0.00 C ATOM 1226 CG LEU A 80 -7.007 -4.217 5.717 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.204 -4.316 7.006 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.406 -4.780 5.915 1.00 0.00 C ATOM 0 H LEU A 80 -5.678 -2.781 3.211 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.380 -3.340 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.067 -2.351 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.666 -2.195 5.954 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.504 -4.809 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.166 -5.355 7.332 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.191 -3.953 6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.679 -3.711 7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.338 -5.813 6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.935 -4.186 6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.949 -4.745 4.971 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.640 -0.134 3.592 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.217 1.201 3.519 1.00 0.00 C ATOM 1242 C ILE A 81 -9.043 1.375 2.249 1.00 0.00 C ATOM 1243 O ILE A 81 -10.179 1.848 2.295 1.00 0.00 O ATOM 1244 CB ILE A 81 -7.128 2.289 3.562 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.331 2.191 4.865 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.750 3.669 3.418 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.896 2.651 4.730 1.00 0.00 C ATOM 0 H ILE A 81 -6.627 -0.163 3.477 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.864 1.312 4.389 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.445 2.132 2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.826 2.789 5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.342 1.158 5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.967 4.426 3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.277 3.733 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.452 3.838 4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.391 2.554 5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.385 2.037 3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.876 3.694 4.413 1.00 0.00 H new ATOM 1259 N SER A 82 -8.465 0.988 1.116 1.00 0.00 N ATOM 1260 CA SER A 82 -9.146 1.103 -0.167 1.00 0.00 C ATOM 1261 C SER A 82 -10.419 0.262 -0.184 1.00 0.00 C ATOM 1262 O SER A 82 -11.460 0.701 -0.673 1.00 0.00 O ATOM 1263 CB SER A 82 -8.218 0.667 -1.303 1.00 0.00 C ATOM 1264 OG SER A 82 -7.539 -0.532 -0.974 1.00 0.00 O ATOM 0 H SER A 82 -7.527 0.592 1.061 1.00 0.00 H new ATOM 0 HA SER A 82 -9.420 2.148 -0.312 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.797 0.522 -2.215 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.493 1.455 -1.508 1.00 0.00 H new ATOM 0 HG SER A 82 -7.879 -0.877 -0.122 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.326 -0.950 0.352 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.469 -1.853 0.402 1.00 0.00 C ATOM 1272 C ALA A 83 -12.662 -1.193 1.083 1.00 0.00 C ATOM 1273 O ALA A 83 -13.745 -1.102 0.507 1.00 0.00 O ATOM 1274 CB ALA A 83 -11.094 -3.140 1.122 1.00 0.00 C ATOM 0 H ALA A 83 -9.471 -1.329 0.758 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.756 -2.092 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.957 -3.805 1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.277 -3.629 0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.779 -2.909 2.139 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.455 -0.733 2.314 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.516 -0.082 3.073 1.00 0.00 C ATOM 1282 C GLU A 84 -14.257 0.935 2.211 1.00 0.00 C ATOM 1283 O GLU A 84 -15.488 0.970 2.194 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.938 0.607 4.311 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.886 -0.287 5.538 1.00 0.00 C ATOM 1286 CD GLU A 84 -14.261 -0.750 5.980 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -14.738 -1.779 5.457 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -14.860 -0.084 6.850 1.00 0.00 O ATOM 0 H GLU A 84 -11.564 -0.799 2.805 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.224 -0.848 3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.931 0.957 4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.538 1.488 4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.265 -1.157 5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.408 0.252 6.356 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.499 1.761 1.496 1.00 0.00 N ATOM 1296 CA GLN A 85 -14.084 2.780 0.633 1.00 0.00 C ATOM 1297 C GLN A 85 -15.158 2.179 -0.267 1.00 0.00 C ATOM 1298 O GLN A 85 -16.261 2.715 -0.377 1.00 0.00 O ATOM 1299 CB GLN A 85 -12.999 3.441 -0.219 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.887 4.078 0.599 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.410 5.055 1.632 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.519 5.577 1.506 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.614 5.310 2.664 1.00 0.00 N ATOM 0 H GLN A 85 -12.479 1.744 1.498 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.548 3.535 1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.567 2.694 -0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.457 4.203 -0.849 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.316 3.296 1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.200 4.596 -0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.703 4.856 2.730 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.914 5.960 3.391 1.00 0.00 H new