USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 750 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 28 THR OG1 : rot -55:sc= 0.00626 USER MOD Set 1.2: A 111 TYR OH : rot 180:sc= 0.0055 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= -0.592 USER MOD Set 2.2: A 77 SER OG : rot 116:sc= 0.00769 USER MOD Single : A 16 SER OG : rot 29:sc= 0.00428 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 3:sc= 1.1 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -127:sc= -2.84 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.4 K(o=-1.4,f=-9.2!) USER MOD Single : A 49 GLN : amide:sc= -0.492 K(o=-0.49,f=-1.7!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -140:sc= 0.68 (180deg=-0.958) USER MOD Single : A 57 LYS NZ :NH3+ 146:sc= -0.274 (180deg=-1.56!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0788 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 154:sc= -0.231 (180deg=-1.1) USER MOD Single : A 88 SER OG : rot 180:sc= -0.67 USER MOD Single : A 89 TYR OH : rot -149:sc= -0.879 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -6.59! C(o=-6.6!,f=-22!) USER MOD Single : A 98 MET CE :methyl -151:sc= -0.0708 (180deg=-1.24) USER MOD Single : A 102 SER OG : rot 77:sc= 0.793 USER MOD Single : A 105 SER OG : rot 100:sc= 0.985 USER MOD Single : A 108 SER OG : rot -121:sc= -0.243 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 169 N LEU A 15 -20.435 -13.277 -2.081 1.00 0.00 N ATOM 170 CA LEU A 15 -19.054 -13.057 -1.666 1.00 0.00 C ATOM 171 C LEU A 15 -18.838 -11.610 -1.236 1.00 0.00 C ATOM 172 O LEU A 15 -19.781 -10.821 -1.181 1.00 0.00 O ATOM 173 CB LEU A 15 -18.096 -13.411 -2.805 1.00 0.00 C ATOM 174 CG LEU A 15 -17.610 -14.860 -2.849 1.00 0.00 C ATOM 175 CD1 LEU A 15 -17.061 -15.197 -4.226 1.00 0.00 C ATOM 176 CD2 LEU A 15 -16.556 -15.102 -1.778 1.00 0.00 C ATOM 0 HA LEU A 15 -18.850 -13.704 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.589 -13.186 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.225 -12.759 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.459 -15.514 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.720 -16.232 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.844 -15.064 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.225 -14.537 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.222 -16.138 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.707 -14.439 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -16.983 -14.902 -0.795 1.00 0.00 H new ATOM 188 N SER A 16 -17.589 -11.267 -0.932 1.00 0.00 N ATOM 189 CA SER A 16 -17.250 -9.914 -0.507 1.00 0.00 C ATOM 190 C SER A 16 -15.879 -9.506 -1.036 1.00 0.00 C ATOM 191 O SER A 16 -15.062 -10.341 -1.427 1.00 0.00 O ATOM 192 CB SER A 16 -17.269 -9.819 1.021 1.00 0.00 C ATOM 193 OG SER A 16 -18.554 -9.453 1.493 1.00 0.00 O ATOM 0 H SER A 16 -16.796 -11.908 -0.972 1.00 0.00 H new ATOM 0 HA SER A 16 -17.995 -9.232 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.979 -10.777 1.452 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.534 -9.085 1.352 1.00 0.00 H new ATOM 0 HG SER A 16 -19.236 -9.775 0.868 1.00 0.00 H new ATOM 199 N PRO A 17 -15.619 -8.190 -1.049 1.00 0.00 N ATOM 200 CA PRO A 17 -14.347 -7.640 -1.527 1.00 0.00 C ATOM 201 C PRO A 17 -13.188 -7.959 -0.589 1.00 0.00 C ATOM 202 O PRO A 17 -13.376 -8.436 0.530 1.00 0.00 O ATOM 203 CB PRO A 17 -14.606 -6.131 -1.564 1.00 0.00 C ATOM 204 CG PRO A 17 -15.684 -5.907 -0.561 1.00 0.00 C ATOM 205 CD PRO A 17 -16.546 -7.139 -0.597 1.00 0.00 C ATOM 0 HA PRO A 17 -14.057 -8.061 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.707 -5.569 -1.311 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.916 -5.807 -2.557 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.266 -5.752 0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.265 -5.017 -0.804 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.964 -7.366 0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -17.386 -7.022 -1.282 1.00 0.00 H new ATOM 213 N PRO A 18 -11.959 -7.690 -1.054 1.00 0.00 N ATOM 214 CA PRO A 18 -10.745 -7.940 -0.272 1.00 0.00 C ATOM 215 C PRO A 18 -10.612 -6.988 0.912 1.00 0.00 C ATOM 216 O PRO A 18 -11.145 -5.880 0.892 1.00 0.00 O ATOM 217 CB PRO A 18 -9.618 -7.700 -1.279 1.00 0.00 C ATOM 218 CG PRO A 18 -10.201 -6.768 -2.285 1.00 0.00 C ATOM 219 CD PRO A 18 -11.660 -7.120 -2.379 1.00 0.00 C ATOM 0 HA PRO A 18 -10.740 -8.939 0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.742 -7.265 -0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.296 -8.632 -1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.069 -5.730 -1.978 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.710 -6.880 -3.251 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.273 -6.243 -2.587 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.850 -7.837 -3.177 1.00 0.00 H new ATOM 227 N GLU A 19 -9.896 -7.430 1.942 1.00 0.00 N ATOM 228 CA GLU A 19 -9.695 -6.616 3.136 1.00 0.00 C ATOM 229 C GLU A 19 -8.340 -5.914 3.093 1.00 0.00 C ATOM 230 O GLU A 19 -7.490 -6.234 2.264 1.00 0.00 O ATOM 231 CB GLU A 19 -9.793 -7.482 4.394 1.00 0.00 C ATOM 232 CG GLU A 19 -8.463 -8.076 4.828 1.00 0.00 C ATOM 233 CD GLU A 19 -8.557 -8.805 6.155 1.00 0.00 C ATOM 234 OE1 GLU A 19 -9.526 -9.570 6.344 1.00 0.00 O ATOM 235 OE2 GLU A 19 -7.661 -8.612 7.002 1.00 0.00 O ATOM 0 H GLU A 19 -9.446 -8.345 1.974 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.478 -5.858 3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.196 -6.880 5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.501 -8.291 4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.110 -8.767 4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.722 -7.281 4.906 1.00 0.00 H new ATOM 242 N ALA A 20 -8.150 -4.954 3.993 1.00 0.00 N ATOM 243 CA ALA A 20 -6.900 -4.207 4.058 1.00 0.00 C ATOM 244 C ALA A 20 -5.730 -5.124 4.403 1.00 0.00 C ATOM 245 O ALA A 20 -5.726 -5.805 5.429 1.00 0.00 O ATOM 246 CB ALA A 20 -7.010 -3.083 5.077 1.00 0.00 C ATOM 0 H ALA A 20 -8.845 -4.676 4.686 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.712 -3.775 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.070 -2.533 5.115 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.814 -2.407 4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.225 -3.503 6.060 1.00 0.00 H new ATOM 252 N PRO A 21 -4.715 -5.143 3.527 1.00 0.00 N ATOM 253 CA PRO A 21 -3.521 -5.973 3.718 1.00 0.00 C ATOM 254 C PRO A 21 -2.650 -5.477 4.867 1.00 0.00 C ATOM 255 O PRO A 21 -2.802 -4.348 5.333 1.00 0.00 O ATOM 256 CB PRO A 21 -2.778 -5.836 2.387 1.00 0.00 C ATOM 257 CG PRO A 21 -3.229 -4.528 1.834 1.00 0.00 C ATOM 258 CD PRO A 21 -4.654 -4.357 2.284 1.00 0.00 C ATOM 0 HA PRO A 21 -3.775 -7.001 3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.698 -5.853 2.533 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.021 -6.656 1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.604 -3.713 2.200 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.160 -4.519 0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.897 -3.309 2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.358 -4.728 1.539 1.00 0.00 H new ATOM 266 N ASP A 22 -1.736 -6.329 5.320 1.00 0.00 N ATOM 267 CA ASP A 22 -0.839 -5.978 6.415 1.00 0.00 C ATOM 268 C ASP A 22 -0.167 -4.633 6.156 1.00 0.00 C ATOM 269 O ASP A 22 -0.354 -4.028 5.100 1.00 0.00 O ATOM 270 CB ASP A 22 0.222 -7.064 6.601 1.00 0.00 C ATOM 271 CG ASP A 22 0.703 -7.164 8.036 1.00 0.00 C ATOM 272 OD1 ASP A 22 -0.151 -7.225 8.944 1.00 0.00 O ATOM 273 OD2 ASP A 22 1.932 -7.180 8.250 1.00 0.00 O ATOM 0 H ASP A 22 -1.597 -7.268 4.946 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.431 -5.899 7.327 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.188 -8.025 6.290 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.071 -6.854 5.950 1.00 0.00 H new ATOM 278 N ARG A 23 0.613 -4.171 7.127 1.00 0.00 N ATOM 279 CA ARG A 23 1.311 -2.896 7.006 1.00 0.00 C ATOM 280 C ARG A 23 2.582 -3.049 6.176 1.00 0.00 C ATOM 281 O ARG A 23 3.463 -3.851 6.487 1.00 0.00 O ATOM 282 CB ARG A 23 1.656 -2.345 8.391 1.00 0.00 C ATOM 283 CG ARG A 23 2.533 -1.105 8.351 1.00 0.00 C ATOM 284 CD ARG A 23 3.177 -0.835 9.703 1.00 0.00 C ATOM 285 NE ARG A 23 4.466 -1.505 9.840 1.00 0.00 N ATOM 286 CZ ARG A 23 5.069 -1.707 11.006 1.00 0.00 C ATOM 287 NH1 ARG A 23 4.501 -1.292 12.131 1.00 0.00 N ATOM 288 NH2 ARG A 23 6.242 -2.325 11.049 1.00 0.00 N ATOM 0 H ARG A 23 0.778 -4.660 8.007 1.00 0.00 H new ATOM 0 HA ARG A 23 0.649 -2.195 6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.732 -2.110 8.920 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.163 -3.120 8.965 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.309 -1.231 7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.935 -0.244 8.053 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.312 0.239 9.832 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.508 -1.170 10.496 1.00 0.00 H new ATOM 0 HE ARG A 23 4.929 -1.836 8.994 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.599 -0.817 12.102 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.966 -1.448 13.025 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.682 -2.645 10.186 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.704 -2.480 11.945 1.00 0.00 H new ATOM 302 N PRO A 24 2.681 -2.261 5.094 1.00 0.00 N ATOM 303 CA PRO A 24 3.841 -2.291 4.198 1.00 0.00 C ATOM 304 C PRO A 24 5.094 -1.718 4.851 1.00 0.00 C ATOM 305 O PRO A 24 5.021 -0.763 5.626 1.00 0.00 O ATOM 306 CB PRO A 24 3.402 -1.415 3.021 1.00 0.00 C ATOM 307 CG PRO A 24 2.377 -0.497 3.594 1.00 0.00 C ATOM 308 CD PRO A 24 1.669 -1.282 4.664 1.00 0.00 C ATOM 0 HA PRO A 24 4.110 -3.308 3.913 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.243 -0.860 2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.987 -2.017 2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.842 0.397 4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.678 -0.165 2.826 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.352 -0.643 5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.775 -1.771 4.278 1.00 0.00 H new ATOM 316 N THR A 25 6.243 -2.304 4.534 1.00 0.00 N ATOM 317 CA THR A 25 7.512 -1.852 5.090 1.00 0.00 C ATOM 318 C THR A 25 8.202 -0.866 4.154 1.00 0.00 C ATOM 319 O THR A 25 7.811 -0.716 2.996 1.00 0.00 O ATOM 320 CB THR A 25 8.460 -3.035 5.360 1.00 0.00 C ATOM 321 OG1 THR A 25 9.477 -2.645 6.289 1.00 0.00 O ATOM 322 CG2 THR A 25 9.104 -3.518 4.069 1.00 0.00 C ATOM 0 H THR A 25 6.321 -3.094 3.894 1.00 0.00 H new ATOM 0 HA THR A 25 7.285 -1.355 6.033 1.00 0.00 H new ATOM 0 HB THR A 25 7.875 -3.852 5.783 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.075 -3.403 6.457 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.769 -4.354 4.285 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.329 -3.841 3.374 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.676 -2.705 3.621 1.00 0.00 H new ATOM 330 N ILE A 26 9.228 -0.195 4.664 1.00 0.00 N ATOM 331 CA ILE A 26 9.974 0.777 3.873 1.00 0.00 C ATOM 332 C ILE A 26 11.466 0.462 3.879 1.00 0.00 C ATOM 333 O ILE A 26 12.079 0.328 4.939 1.00 0.00 O ATOM 334 CB ILE A 26 9.761 2.210 4.395 1.00 0.00 C ATOM 335 CG1 ILE A 26 8.291 2.431 4.759 1.00 0.00 C ATOM 336 CG2 ILE A 26 10.213 3.225 3.356 1.00 0.00 C ATOM 337 CD1 ILE A 26 7.328 1.982 3.681 1.00 0.00 C ATOM 0 H ILE A 26 9.562 -0.306 5.621 1.00 0.00 H new ATOM 0 HA ILE A 26 9.595 0.711 2.853 1.00 0.00 H new ATOM 0 HB ILE A 26 10.363 2.346 5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.068 1.894 5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.130 3.490 4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.056 4.233 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.272 3.079 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.636 3.091 2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.305 2.168 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.524 2.537 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.461 0.916 3.495 1.00 0.00 H new ATOM 349 N SER A 27 12.045 0.347 2.689 1.00 0.00 N ATOM 350 CA SER A 27 13.466 0.046 2.556 1.00 0.00 C ATOM 351 C SER A 27 14.144 1.028 1.605 1.00 0.00 C ATOM 352 O SER A 27 13.484 1.684 0.798 1.00 0.00 O ATOM 353 CB SER A 27 13.662 -1.386 2.053 1.00 0.00 C ATOM 354 OG SER A 27 13.739 -2.300 3.133 1.00 0.00 O ATOM 0 H SER A 27 11.553 0.458 1.803 1.00 0.00 H new ATOM 0 HA SER A 27 13.925 0.144 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.835 -1.661 1.398 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.573 -1.444 1.458 1.00 0.00 H new ATOM 0 HG SER A 27 13.862 -3.208 2.785 1.00 0.00 H new ATOM 360 N THR A 28 15.465 1.123 1.705 1.00 0.00 N ATOM 361 CA THR A 28 16.233 2.026 0.856 1.00 0.00 C ATOM 362 C THR A 28 16.468 1.416 -0.521 1.00 0.00 C ATOM 363 O THR A 28 17.307 0.531 -0.684 1.00 0.00 O ATOM 364 CB THR A 28 17.593 2.373 1.490 1.00 0.00 C ATOM 365 OG1 THR A 28 17.396 2.950 2.785 1.00 0.00 O ATOM 366 CG2 THR A 28 18.369 3.340 0.610 1.00 0.00 C ATOM 0 H THR A 28 16.026 0.586 2.366 1.00 0.00 H new ATOM 0 HA THR A 28 15.646 2.939 0.752 1.00 0.00 H new ATOM 0 HB THR A 28 18.170 1.453 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.799 3.724 2.711 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.326 3.570 1.078 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.542 2.885 -0.365 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.796 4.259 0.485 1.00 0.00 H new ATOM 374 N ALA A 29 15.723 1.898 -1.512 1.00 0.00 N ATOM 375 CA ALA A 29 15.852 1.402 -2.875 1.00 0.00 C ATOM 376 C ALA A 29 16.561 2.419 -3.764 1.00 0.00 C ATOM 377 O ALA A 29 17.368 2.056 -4.620 1.00 0.00 O ATOM 378 CB ALA A 29 14.483 1.063 -3.447 1.00 0.00 C ATOM 0 H ALA A 29 15.024 2.632 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 29 16.457 0.496 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.596 0.694 -4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.012 0.295 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.859 1.957 -3.452 1.00 0.00 H new ATOM 384 N SER A 30 16.252 3.696 -3.557 1.00 0.00 N ATOM 385 CA SER A 30 16.856 4.765 -4.342 1.00 0.00 C ATOM 386 C SER A 30 16.633 6.121 -3.677 1.00 0.00 C ATOM 387 O SER A 30 15.961 6.216 -2.651 1.00 0.00 O ATOM 388 CB SER A 30 16.276 4.778 -5.758 1.00 0.00 C ATOM 389 OG SER A 30 16.755 3.681 -6.515 1.00 0.00 O ATOM 0 H SER A 30 15.587 4.014 -2.852 1.00 0.00 H new ATOM 0 HA SER A 30 17.929 4.579 -4.398 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.188 4.742 -5.709 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.542 5.711 -6.255 1.00 0.00 H new ATOM 0 HG SER A 30 17.329 3.121 -5.952 1.00 0.00 H new ATOM 395 N GLU A 31 17.203 7.165 -4.270 1.00 0.00 N ATOM 396 CA GLU A 31 17.066 8.515 -3.735 1.00 0.00 C ATOM 397 C GLU A 31 15.728 9.127 -4.138 1.00 0.00 C ATOM 398 O GLU A 31 15.279 10.110 -3.546 1.00 0.00 O ATOM 399 CB GLU A 31 18.214 9.400 -4.227 1.00 0.00 C ATOM 400 CG GLU A 31 18.277 9.530 -5.740 1.00 0.00 C ATOM 401 CD GLU A 31 19.100 8.433 -6.385 1.00 0.00 C ATOM 402 OE1 GLU A 31 20.344 8.544 -6.382 1.00 0.00 O ATOM 403 OE2 GLU A 31 18.501 7.462 -6.894 1.00 0.00 O ATOM 0 H GLU A 31 17.763 7.102 -5.120 1.00 0.00 H new ATOM 0 HA GLU A 31 17.104 8.454 -2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.109 10.393 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 31 19.158 8.991 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.266 9.507 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.702 10.499 -6.000 1.00 0.00 H new ATOM 410 N THR A 32 15.095 8.540 -5.148 1.00 0.00 N ATOM 411 CA THR A 32 13.809 9.027 -5.631 1.00 0.00 C ATOM 412 C THR A 32 12.717 7.981 -5.439 1.00 0.00 C ATOM 413 O THR A 32 11.546 8.233 -5.722 1.00 0.00 O ATOM 414 CB THR A 32 13.878 9.412 -7.121 1.00 0.00 C ATOM 415 OG1 THR A 32 14.618 8.425 -7.848 1.00 0.00 O ATOM 416 CG2 THR A 32 14.532 10.775 -7.297 1.00 0.00 C ATOM 0 H THR A 32 15.452 7.726 -5.648 1.00 0.00 H new ATOM 0 HA THR A 32 13.567 9.913 -5.045 1.00 0.00 H new ATOM 0 HB THR A 32 12.861 9.461 -7.509 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.656 8.676 -8.795 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.570 11.026 -8.357 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.951 11.529 -6.766 1.00 0.00 H new ATOM 0 HG23 THR A 32 15.544 10.748 -6.894 1.00 0.00 H new ATOM 424 N SER A 33 13.107 6.807 -4.953 1.00 0.00 N ATOM 425 CA SER A 33 12.161 5.721 -4.725 1.00 0.00 C ATOM 426 C SER A 33 12.521 4.942 -3.465 1.00 0.00 C ATOM 427 O SER A 33 13.550 5.195 -2.837 1.00 0.00 O ATOM 428 CB SER A 33 12.134 4.779 -5.930 1.00 0.00 C ATOM 429 OG SER A 33 13.132 3.779 -5.818 1.00 0.00 O ATOM 0 H SER A 33 14.072 6.584 -4.709 1.00 0.00 H new ATOM 0 HA SER A 33 11.171 6.157 -4.591 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.153 4.311 -6.008 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.288 5.350 -6.846 1.00 0.00 H new ATOM 0 HG SER A 33 13.678 3.769 -6.632 1.00 0.00 H new ATOM 435 N VAL A 34 11.665 3.993 -3.098 1.00 0.00 N ATOM 436 CA VAL A 34 11.893 3.175 -1.913 1.00 0.00 C ATOM 437 C VAL A 34 11.246 1.803 -2.059 1.00 0.00 C ATOM 438 O VAL A 34 10.183 1.667 -2.667 1.00 0.00 O ATOM 439 CB VAL A 34 11.342 3.857 -0.646 1.00 0.00 C ATOM 440 CG1 VAL A 34 12.109 5.137 -0.352 1.00 0.00 C ATOM 441 CG2 VAL A 34 9.855 4.140 -0.797 1.00 0.00 C ATOM 0 H VAL A 34 10.808 3.772 -3.604 1.00 0.00 H new ATOM 0 HA VAL A 34 12.972 3.056 -1.814 1.00 0.00 H new ATOM 0 HB VAL A 34 11.476 3.180 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.706 5.605 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.162 4.903 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.009 5.822 -1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.483 4.622 0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.695 4.798 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.321 3.203 -0.955 1.00 0.00 H new ATOM 451 N TYR A 35 11.893 0.786 -1.500 1.00 0.00 N ATOM 452 CA TYR A 35 11.381 -0.577 -1.570 1.00 0.00 C ATOM 453 C TYR A 35 10.280 -0.800 -0.538 1.00 0.00 C ATOM 454 O TYR A 35 10.499 -0.649 0.664 1.00 0.00 O ATOM 455 CB TYR A 35 12.514 -1.581 -1.348 1.00 0.00 C ATOM 456 CG TYR A 35 13.393 -1.781 -2.562 1.00 0.00 C ATOM 457 CD1 TYR A 35 12.837 -1.987 -3.819 1.00 0.00 C ATOM 458 CD2 TYR A 35 14.778 -1.764 -2.452 1.00 0.00 C ATOM 459 CE1 TYR A 35 13.636 -2.172 -4.931 1.00 0.00 C ATOM 460 CE2 TYR A 35 15.584 -1.946 -3.560 1.00 0.00 C ATOM 461 CZ TYR A 35 15.009 -2.150 -4.796 1.00 0.00 C ATOM 462 OH TYR A 35 15.807 -2.332 -5.902 1.00 0.00 O ATOM 0 H TYR A 35 12.773 0.880 -0.993 1.00 0.00 H new ATOM 0 HA TYR A 35 10.958 -0.729 -2.563 1.00 0.00 H new ATOM 0 HB2 TYR A 35 13.130 -1.242 -0.515 1.00 0.00 H new ATOM 0 HB3 TYR A 35 12.086 -2.541 -1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.763 -2.003 -3.928 1.00 0.00 H new ATOM 0 HD2 TYR A 35 15.232 -1.606 -1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.188 -2.333 -5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 35 16.659 -1.928 -3.458 1.00 0.00 H new ATOM 0 HH TYR A 35 16.749 -2.287 -5.636 1.00 0.00 H new ATOM 472 N VAL A 36 9.094 -1.160 -1.016 1.00 0.00 N ATOM 473 CA VAL A 36 7.957 -1.406 -0.137 1.00 0.00 C ATOM 474 C VAL A 36 7.495 -2.856 -0.228 1.00 0.00 C ATOM 475 O VAL A 36 7.297 -3.389 -1.322 1.00 0.00 O ATOM 476 CB VAL A 36 6.774 -0.479 -0.477 1.00 0.00 C ATOM 477 CG1 VAL A 36 5.564 -0.822 0.379 1.00 0.00 C ATOM 478 CG2 VAL A 36 7.171 0.978 -0.295 1.00 0.00 C ATOM 0 H VAL A 36 8.895 -1.288 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 36 8.292 -1.198 0.879 1.00 0.00 H new ATOM 0 HB VAL A 36 6.504 -0.630 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.738 -0.157 0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.268 -1.855 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.817 -0.700 1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.324 1.619 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.468 1.148 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.006 1.213 -0.955 1.00 0.00 H new ATOM 488 N THR A 37 7.322 -3.491 0.927 1.00 0.00 N ATOM 489 CA THR A 37 6.884 -4.880 0.978 1.00 0.00 C ATOM 490 C THR A 37 5.694 -5.046 1.916 1.00 0.00 C ATOM 491 O THR A 37 5.783 -4.744 3.106 1.00 0.00 O ATOM 492 CB THR A 37 8.021 -5.811 1.438 1.00 0.00 C ATOM 493 OG1 THR A 37 9.160 -5.653 0.585 1.00 0.00 O ATOM 494 CG2 THR A 37 7.569 -7.263 1.426 1.00 0.00 C ATOM 0 H THR A 37 7.479 -3.065 1.840 1.00 0.00 H new ATOM 0 HA THR A 37 6.587 -5.156 -0.034 1.00 0.00 H new ATOM 0 HB THR A 37 8.292 -5.540 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.879 -6.247 0.886 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.389 -7.902 1.755 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.721 -7.386 2.100 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.273 -7.544 0.415 1.00 0.00 H new ATOM 502 N TRP A 38 4.583 -5.529 1.373 1.00 0.00 N ATOM 503 CA TRP A 38 3.374 -5.737 2.164 1.00 0.00 C ATOM 504 C TRP A 38 2.988 -7.211 2.191 1.00 0.00 C ATOM 505 O TRP A 38 3.566 -8.027 1.471 1.00 0.00 O ATOM 506 CB TRP A 38 2.221 -4.905 1.598 1.00 0.00 C ATOM 507 CG TRP A 38 1.793 -5.339 0.228 1.00 0.00 C ATOM 508 CD1 TRP A 38 0.717 -6.118 -0.086 1.00 0.00 C ATOM 509 CD2 TRP A 38 2.434 -5.017 -1.011 1.00 0.00 C ATOM 510 NE1 TRP A 38 0.650 -6.301 -1.446 1.00 0.00 N ATOM 511 CE2 TRP A 38 1.691 -5.635 -2.037 1.00 0.00 C ATOM 512 CE3 TRP A 38 3.561 -4.266 -1.355 1.00 0.00 C ATOM 513 CZ2 TRP A 38 2.042 -5.524 -3.380 1.00 0.00 C ATOM 514 CZ3 TRP A 38 3.908 -4.157 -2.689 1.00 0.00 C ATOM 515 CH2 TRP A 38 3.151 -4.783 -3.688 1.00 0.00 C ATOM 0 H TRP A 38 4.493 -5.784 0.389 1.00 0.00 H new ATOM 0 HA TRP A 38 3.578 -5.416 3.185 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.369 -4.970 2.275 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.521 -3.858 1.563 1.00 0.00 H new ATOM 0 HD1 TRP A 38 0.021 -6.530 0.629 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -0.060 -6.845 -1.936 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.151 -3.779 -0.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.460 -6.006 -4.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.778 -3.579 -2.966 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.448 -4.679 -4.721 1.00 0.00 H new ATOM 526 N ILE A 39 2.010 -7.548 3.025 1.00 0.00 N ATOM 527 CA ILE A 39 1.547 -8.925 3.144 1.00 0.00 C ATOM 528 C ILE A 39 0.024 -8.992 3.178 1.00 0.00 C ATOM 529 O ILE A 39 -0.616 -8.635 4.167 1.00 0.00 O ATOM 530 CB ILE A 39 2.108 -9.599 4.410 1.00 0.00 C ATOM 531 CG1 ILE A 39 3.625 -9.415 4.483 1.00 0.00 C ATOM 532 CG2 ILE A 39 1.746 -11.077 4.427 1.00 0.00 C ATOM 533 CD1 ILE A 39 4.387 -10.297 3.518 1.00 0.00 C ATOM 0 H ILE A 39 1.523 -6.886 3.629 1.00 0.00 H new ATOM 0 HA ILE A 39 1.912 -9.458 2.266 1.00 0.00 H new ATOM 0 HB ILE A 39 1.662 -9.125 5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.867 -8.372 4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.960 -9.626 5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.149 -11.540 5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.662 -11.186 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.168 -11.565 3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.456 -10.114 3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.175 -11.344 3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.080 -10.070 2.497 1.00 0.00 H new ATOM 545 N PRO A 40 -0.572 -9.461 2.072 1.00 0.00 N ATOM 546 CA PRO A 40 -2.027 -9.589 1.950 1.00 0.00 C ATOM 547 C PRO A 40 -2.589 -10.693 2.840 1.00 0.00 C ATOM 548 O PRO A 40 -1.959 -11.734 3.024 1.00 0.00 O ATOM 549 CB PRO A 40 -2.230 -9.937 0.474 1.00 0.00 C ATOM 550 CG PRO A 40 -0.952 -10.577 0.056 1.00 0.00 C ATOM 551 CD PRO A 40 0.129 -9.904 0.855 1.00 0.00 C ATOM 0 HA PRO A 40 -2.543 -8.682 2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.074 -10.614 0.339 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.438 -9.046 -0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.971 -11.649 0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.783 -10.450 -1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.943 -10.590 1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.565 -9.064 0.314 1.00 0.00 H new ATOM 559 N ARG A 41 -3.776 -10.458 3.389 1.00 0.00 N ATOM 560 CA ARG A 41 -4.421 -11.433 4.259 1.00 0.00 C ATOM 561 C ARG A 41 -5.678 -11.998 3.606 1.00 0.00 C ATOM 562 O ARG A 41 -5.717 -13.163 3.214 1.00 0.00 O ATOM 563 CB ARG A 41 -4.776 -10.793 5.603 1.00 0.00 C ATOM 564 CG ARG A 41 -3.785 -9.732 6.053 1.00 0.00 C ATOM 565 CD ARG A 41 -2.385 -10.306 6.206 1.00 0.00 C ATOM 566 NE ARG A 41 -2.132 -10.778 7.564 1.00 0.00 N ATOM 567 CZ ARG A 41 -2.451 -11.996 7.990 1.00 0.00 C ATOM 568 NH1 ARG A 41 -3.030 -12.859 7.167 1.00 0.00 N ATOM 569 NH2 ARG A 41 -2.189 -12.352 9.241 1.00 0.00 N ATOM 0 H ARG A 41 -4.310 -9.601 3.247 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.721 -12.251 4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.767 -10.345 5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.832 -11.572 6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.768 -8.918 5.329 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.111 -9.307 7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.253 -11.130 5.505 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.650 -9.544 5.944 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.686 -10.138 8.222 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.232 -12.589 6.204 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.274 -13.793 7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.743 -11.691 9.877 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.434 -13.287 9.567 1.00 0.00 H new ATOM 583 N GLY A 42 -6.707 -11.162 3.491 1.00 0.00 N ATOM 584 CA GLY A 42 -7.951 -11.596 2.885 1.00 0.00 C ATOM 585 C GLY A 42 -8.130 -11.061 1.479 1.00 0.00 C ATOM 586 O GLY A 42 -7.691 -9.953 1.169 1.00 0.00 O ATOM 0 H GLY A 42 -6.700 -10.192 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.979 -12.685 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.786 -11.268 3.504 1.00 0.00 H new ATOM 590 N ASN A 43 -8.774 -11.848 0.623 1.00 0.00 N ATOM 591 CA ASN A 43 -9.007 -11.447 -0.758 1.00 0.00 C ATOM 592 C ASN A 43 -10.499 -11.307 -1.041 1.00 0.00 C ATOM 593 O ASN A 43 -10.911 -11.106 -2.183 1.00 0.00 O ATOM 594 CB ASN A 43 -8.389 -12.466 -1.719 1.00 0.00 C ATOM 595 CG ASN A 43 -8.950 -13.860 -1.522 1.00 0.00 C ATOM 596 OD1 ASN A 43 -9.703 -14.111 -0.580 1.00 0.00 O ATOM 597 ND2 ASN A 43 -8.586 -14.776 -2.412 1.00 0.00 N ATOM 0 H ASN A 43 -9.144 -12.768 0.863 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.533 -10.477 -0.912 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.567 -12.147 -2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.309 -12.488 -1.575 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.932 -15.732 -2.331 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.960 -14.524 -3.177 1.00 0.00 H new ATOM 604 N GLY A 44 -11.307 -11.414 0.010 1.00 0.00 N ATOM 605 CA GLY A 44 -12.745 -11.296 -0.145 1.00 0.00 C ATOM 606 C GLY A 44 -13.379 -12.573 -0.660 1.00 0.00 C ATOM 607 O GLY A 44 -14.587 -12.627 -0.884 1.00 0.00 O ATOM 0 H GLY A 44 -10.991 -11.580 0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.191 -11.034 0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.968 -10.480 -0.833 1.00 0.00 H new ATOM 611 N GLY A 45 -12.561 -13.604 -0.850 1.00 0.00 N ATOM 612 CA GLY A 45 -13.067 -14.871 -1.343 1.00 0.00 C ATOM 613 C GLY A 45 -12.608 -15.169 -2.757 1.00 0.00 C ATOM 614 O GLY A 45 -12.512 -16.329 -3.155 1.00 0.00 O ATOM 0 H GLY A 45 -11.557 -13.584 -0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.738 -15.672 -0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.157 -14.860 -1.313 1.00 0.00 H new ATOM 618 N PHE A 46 -12.327 -14.117 -3.519 1.00 0.00 N ATOM 619 CA PHE A 46 -11.879 -14.271 -4.898 1.00 0.00 C ATOM 620 C PHE A 46 -10.389 -13.964 -5.024 1.00 0.00 C ATOM 621 O PHE A 46 -9.785 -13.332 -4.156 1.00 0.00 O ATOM 622 CB PHE A 46 -12.679 -13.351 -5.822 1.00 0.00 C ATOM 623 CG PHE A 46 -13.906 -14.000 -6.396 1.00 0.00 C ATOM 624 CD1 PHE A 46 -13.844 -15.271 -6.942 1.00 0.00 C ATOM 625 CD2 PHE A 46 -15.124 -13.337 -6.390 1.00 0.00 C ATOM 626 CE1 PHE A 46 -14.971 -15.869 -7.471 1.00 0.00 C ATOM 627 CE2 PHE A 46 -16.255 -13.930 -6.917 1.00 0.00 C ATOM 628 CZ PHE A 46 -16.179 -15.199 -7.457 1.00 0.00 C ATOM 0 H PHE A 46 -12.402 -13.149 -3.205 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.045 -15.307 -5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.974 -12.460 -5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.037 -13.021 -6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.903 -15.801 -6.954 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.189 -12.345 -5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.908 -16.860 -7.895 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.197 -13.402 -6.907 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.062 -15.666 -7.867 1.00 0.00 H new ATOM 638 N PRO A 47 -9.782 -14.423 -6.127 1.00 0.00 N ATOM 639 CA PRO A 47 -8.356 -14.211 -6.393 1.00 0.00 C ATOM 640 C PRO A 47 -8.035 -12.753 -6.705 1.00 0.00 C ATOM 641 O PRO A 47 -8.544 -12.189 -7.673 1.00 0.00 O ATOM 642 CB PRO A 47 -8.088 -15.090 -7.617 1.00 0.00 C ATOM 643 CG PRO A 47 -9.409 -15.207 -8.296 1.00 0.00 C ATOM 644 CD PRO A 47 -10.440 -15.184 -7.202 1.00 0.00 C ATOM 0 HA PRO A 47 -7.740 -14.460 -5.529 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.344 -14.638 -8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.705 -16.068 -7.326 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.563 -14.385 -8.995 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.471 -16.130 -8.872 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.362 -14.702 -7.529 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.704 -16.191 -6.878 1.00 0.00 H new ATOM 652 N ILE A 48 -7.188 -12.149 -5.878 1.00 0.00 N ATOM 653 CA ILE A 48 -6.799 -10.757 -6.067 1.00 0.00 C ATOM 654 C ILE A 48 -6.392 -10.491 -7.512 1.00 0.00 C ATOM 655 O ILE A 48 -5.668 -11.282 -8.117 1.00 0.00 O ATOM 656 CB ILE A 48 -5.635 -10.367 -5.136 1.00 0.00 C ATOM 657 CG1 ILE A 48 -6.068 -10.469 -3.672 1.00 0.00 C ATOM 658 CG2 ILE A 48 -5.153 -8.959 -5.454 1.00 0.00 C ATOM 659 CD1 ILE A 48 -4.937 -10.246 -2.692 1.00 0.00 C ATOM 0 H ILE A 48 -6.758 -12.602 -5.071 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.670 -10.149 -5.821 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.809 -11.059 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.853 -9.737 -3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.501 -11.454 -3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.331 -8.697 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.811 -8.916 -6.488 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.972 -8.254 -5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.316 -10.333 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.161 -10.994 -2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.518 -9.250 -2.840 1.00 0.00 H new ATOM 671 N GLN A 49 -6.859 -9.373 -8.057 1.00 0.00 N ATOM 672 CA GLN A 49 -6.540 -9.003 -9.431 1.00 0.00 C ATOM 673 C GLN A 49 -5.314 -8.097 -9.481 1.00 0.00 C ATOM 674 O GLN A 49 -4.384 -8.339 -10.250 1.00 0.00 O ATOM 675 CB GLN A 49 -7.734 -8.301 -10.081 1.00 0.00 C ATOM 676 CG GLN A 49 -8.899 -9.232 -10.379 1.00 0.00 C ATOM 677 CD GLN A 49 -9.840 -8.672 -11.427 1.00 0.00 C ATOM 678 OE1 GLN A 49 -9.589 -7.612 -12.002 1.00 0.00 O ATOM 679 NE2 GLN A 49 -10.933 -9.381 -11.681 1.00 0.00 N ATOM 0 H GLN A 49 -7.459 -8.708 -7.569 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.317 -9.915 -9.984 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.077 -7.502 -9.424 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.408 -7.832 -11.009 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.513 -10.193 -10.719 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.454 -9.418 -9.460 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.102 -10.254 -11.181 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.604 -9.053 -12.376 1.00 0.00 H new ATOM 688 N SER A 50 -5.320 -7.055 -8.656 1.00 0.00 N ATOM 689 CA SER A 50 -4.210 -6.111 -8.610 1.00 0.00 C ATOM 690 C SER A 50 -4.207 -5.341 -7.293 1.00 0.00 C ATOM 691 O SER A 50 -5.231 -5.240 -6.618 1.00 0.00 O ATOM 692 CB SER A 50 -4.294 -5.135 -9.785 1.00 0.00 C ATOM 693 OG SER A 50 -5.558 -4.496 -9.828 1.00 0.00 O ATOM 0 H SER A 50 -6.081 -6.843 -8.011 1.00 0.00 H new ATOM 0 HA SER A 50 -3.281 -6.676 -8.683 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.507 -4.386 -9.696 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.121 -5.670 -10.719 1.00 0.00 H new ATOM 0 HG SER A 50 -5.586 -3.876 -10.587 1.00 0.00 H new ATOM 699 N PHE A 51 -3.047 -4.799 -6.935 1.00 0.00 N ATOM 700 CA PHE A 51 -2.908 -4.039 -5.699 1.00 0.00 C ATOM 701 C PHE A 51 -2.748 -2.549 -5.991 1.00 0.00 C ATOM 702 O PHE A 51 -2.632 -2.143 -7.147 1.00 0.00 O ATOM 703 CB PHE A 51 -1.708 -4.544 -4.895 1.00 0.00 C ATOM 704 CG PHE A 51 -1.915 -5.909 -4.303 1.00 0.00 C ATOM 705 CD1 PHE A 51 -2.870 -6.114 -3.322 1.00 0.00 C ATOM 706 CD2 PHE A 51 -1.153 -6.985 -4.727 1.00 0.00 C ATOM 707 CE1 PHE A 51 -3.064 -7.369 -2.774 1.00 0.00 C ATOM 708 CE2 PHE A 51 -1.342 -8.242 -4.185 1.00 0.00 C ATOM 709 CZ PHE A 51 -2.298 -8.434 -3.206 1.00 0.00 C ATOM 0 H PHE A 51 -2.190 -4.872 -7.484 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.815 -4.181 -5.112 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.831 -4.566 -5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.495 -3.837 -4.093 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.471 -5.284 -2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.402 -6.840 -5.490 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.813 -7.516 -2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.743 -9.073 -4.526 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.446 -9.415 -2.779 1.00 0.00 H new ATOM 719 N ARG A 52 -2.744 -1.743 -4.936 1.00 0.00 N ATOM 720 CA ARG A 52 -2.600 -0.298 -5.078 1.00 0.00 C ATOM 721 C ARG A 52 -1.782 0.283 -3.929 1.00 0.00 C ATOM 722 O ARG A 52 -2.071 0.033 -2.759 1.00 0.00 O ATOM 723 CB ARG A 52 -3.975 0.370 -5.129 1.00 0.00 C ATOM 724 CG ARG A 52 -4.602 0.369 -6.514 1.00 0.00 C ATOM 725 CD ARG A 52 -5.772 1.336 -6.596 1.00 0.00 C ATOM 726 NE ARG A 52 -6.265 1.485 -7.962 1.00 0.00 N ATOM 727 CZ ARG A 52 -7.415 2.076 -8.269 1.00 0.00 C ATOM 728 NH1 ARG A 52 -8.186 2.571 -7.310 1.00 0.00 N ATOM 729 NH2 ARG A 52 -7.795 2.172 -9.536 1.00 0.00 N ATOM 0 H ARG A 52 -2.839 -2.065 -3.973 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.073 -0.101 -6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.644 -0.141 -4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.883 1.399 -4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.851 0.642 -7.255 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.942 -0.637 -6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.580 0.982 -5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.465 2.309 -6.213 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.695 1.115 -8.723 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.897 2.498 -6.335 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.068 3.024 -7.548 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.204 1.792 -10.276 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.678 2.626 -9.771 1.00 0.00 H new ATOM 743 N VAL A 53 -0.759 1.059 -4.271 1.00 0.00 N ATOM 744 CA VAL A 53 0.102 1.676 -3.268 1.00 0.00 C ATOM 745 C VAL A 53 -0.057 3.193 -3.266 1.00 0.00 C ATOM 746 O VAL A 53 0.143 3.847 -4.289 1.00 0.00 O ATOM 747 CB VAL A 53 1.583 1.326 -3.506 1.00 0.00 C ATOM 748 CG1 VAL A 53 2.451 1.890 -2.392 1.00 0.00 C ATOM 749 CG2 VAL A 53 1.761 -0.180 -3.621 1.00 0.00 C ATOM 0 H VAL A 53 -0.506 1.276 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.205 1.280 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 53 1.900 1.780 -4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.494 1.633 -2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.345 2.974 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.137 1.468 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.813 -0.410 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.428 -0.657 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.170 -0.553 -4.457 1.00 0.00 H new ATOM 759 N GLU A 54 -0.417 3.744 -2.111 1.00 0.00 N ATOM 760 CA GLU A 54 -0.602 5.183 -1.977 1.00 0.00 C ATOM 761 C GLU A 54 0.260 5.740 -0.848 1.00 0.00 C ATOM 762 O GLU A 54 0.664 5.010 0.057 1.00 0.00 O ATOM 763 CB GLU A 54 -2.074 5.509 -1.717 1.00 0.00 C ATOM 764 CG GLU A 54 -2.976 5.246 -2.911 1.00 0.00 C ATOM 765 CD GLU A 54 -3.452 3.807 -2.978 1.00 0.00 C ATOM 766 OE1 GLU A 54 -2.693 2.955 -3.483 1.00 0.00 O ATOM 767 OE2 GLU A 54 -4.584 3.535 -2.525 1.00 0.00 O ATOM 0 H GLU A 54 -0.586 3.215 -1.255 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.293 5.651 -2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.424 4.918 -0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.160 6.557 -1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.840 5.909 -2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.439 5.490 -3.828 1.00 0.00 H new ATOM 774 N TYR A 55 0.540 7.037 -0.910 1.00 0.00 N ATOM 775 CA TYR A 55 1.357 7.692 0.104 1.00 0.00 C ATOM 776 C TYR A 55 0.711 8.995 0.566 1.00 0.00 C ATOM 777 O TYR A 55 -0.312 9.420 0.029 1.00 0.00 O ATOM 778 CB TYR A 55 2.759 7.972 -0.442 1.00 0.00 C ATOM 779 CG TYR A 55 2.760 8.735 -1.747 1.00 0.00 C ATOM 780 CD1 TYR A 55 2.784 10.124 -1.762 1.00 0.00 C ATOM 781 CD2 TYR A 55 2.735 8.066 -2.965 1.00 0.00 C ATOM 782 CE1 TYR A 55 2.784 10.825 -2.952 1.00 0.00 C ATOM 783 CE2 TYR A 55 2.737 8.759 -4.160 1.00 0.00 C ATOM 784 CZ TYR A 55 2.761 10.139 -4.148 1.00 0.00 C ATOM 785 OH TYR A 55 2.761 10.833 -5.337 1.00 0.00 O ATOM 0 H TYR A 55 0.213 7.656 -1.652 1.00 0.00 H new ATOM 0 HA TYR A 55 1.434 7.021 0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.322 8.538 0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.280 7.025 -0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.803 10.665 -0.827 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.714 6.986 -2.977 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.802 11.905 -2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.720 8.224 -5.098 1.00 0.00 H new ATOM 0 HH TYR A 55 2.744 10.200 -6.085 1.00 0.00 H new ATOM 795 N LYS A 56 1.316 9.626 1.566 1.00 0.00 N ATOM 796 CA LYS A 56 0.803 10.881 2.102 1.00 0.00 C ATOM 797 C LYS A 56 1.944 11.777 2.574 1.00 0.00 C ATOM 798 O LYS A 56 2.856 11.326 3.268 1.00 0.00 O ATOM 799 CB LYS A 56 -0.159 10.610 3.261 1.00 0.00 C ATOM 800 CG LYS A 56 -0.552 11.859 4.031 1.00 0.00 C ATOM 801 CD LYS A 56 -1.553 11.545 5.130 1.00 0.00 C ATOM 802 CE LYS A 56 -0.855 11.163 6.427 1.00 0.00 C ATOM 803 NZ LYS A 56 -0.519 9.713 6.470 1.00 0.00 N ATOM 0 H LYS A 56 2.163 9.288 2.022 1.00 0.00 H new ATOM 0 HA LYS A 56 0.266 11.395 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.060 10.135 2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.303 9.901 3.947 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.338 12.314 4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.980 12.590 3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.191 12.412 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.202 10.729 4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.057 11.750 6.535 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.497 11.412 7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.696 9.344 7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.110 9.199 5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.484 9.582 6.229 1.00 0.00 H new ATOM 817 N LYS A 57 1.886 13.049 2.195 1.00 0.00 N ATOM 818 CA LYS A 57 2.913 14.010 2.581 1.00 0.00 C ATOM 819 C LYS A 57 2.624 14.589 3.963 1.00 0.00 C ATOM 820 O LYS A 57 1.575 15.193 4.187 1.00 0.00 O ATOM 821 CB LYS A 57 2.996 15.140 1.551 1.00 0.00 C ATOM 822 CG LYS A 57 3.764 14.763 0.296 1.00 0.00 C ATOM 823 CD LYS A 57 3.639 15.833 -0.776 1.00 0.00 C ATOM 824 CE LYS A 57 2.409 15.612 -1.643 1.00 0.00 C ATOM 825 NZ LYS A 57 1.183 16.191 -1.025 1.00 0.00 N ATOM 0 H LYS A 57 1.139 13.439 1.621 1.00 0.00 H new ATOM 0 HA LYS A 57 3.869 13.488 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.986 15.441 1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.471 16.006 2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.815 14.614 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.390 13.815 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.583 16.815 -0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.532 15.829 -1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.569 16.063 -2.622 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.265 14.544 -1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.553 16.547 -1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.690 15.457 -0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.449 16.974 -0.394 1.00 0.00 H new ATOM 839 N LEU A 58 3.561 14.400 4.885 1.00 0.00 N ATOM 840 CA LEU A 58 3.409 14.905 6.245 1.00 0.00 C ATOM 841 C LEU A 58 3.807 16.375 6.329 1.00 0.00 C ATOM 842 O LEU A 58 3.038 17.212 6.801 1.00 0.00 O ATOM 843 CB LEU A 58 4.256 14.079 7.214 1.00 0.00 C ATOM 844 CG LEU A 58 4.046 12.565 7.167 1.00 0.00 C ATOM 845 CD1 LEU A 58 4.982 11.865 8.141 1.00 0.00 C ATOM 846 CD2 LEU A 58 2.596 12.217 7.473 1.00 0.00 C ATOM 0 H LEU A 58 4.434 13.901 4.716 1.00 0.00 H new ATOM 0 HA LEU A 58 2.359 14.817 6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.307 14.286 7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.051 14.423 8.228 1.00 0.00 H new ATOM 0 HG LEU A 58 4.277 12.217 6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.818 10.788 8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.016 12.087 7.875 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.784 12.218 9.153 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.466 11.136 7.435 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.337 12.579 8.468 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.946 12.687 6.735 1.00 0.00 H new ATOM 937 N TRP A 64 -3.977 11.620 0.511 1.00 0.00 N ATOM 938 CA TRP A 64 -3.156 10.527 0.002 1.00 0.00 C ATOM 939 C TRP A 64 -3.078 10.568 -1.521 1.00 0.00 C ATOM 940 O TRP A 64 -4.039 10.949 -2.190 1.00 0.00 O ATOM 941 CB TRP A 64 -3.723 9.181 0.459 1.00 0.00 C ATOM 942 CG TRP A 64 -3.472 8.893 1.908 1.00 0.00 C ATOM 943 CD1 TRP A 64 -4.131 9.431 2.977 1.00 0.00 C ATOM 944 CD2 TRP A 64 -2.492 8.000 2.448 1.00 0.00 C ATOM 945 NE1 TRP A 64 -3.620 8.926 4.147 1.00 0.00 N ATOM 946 CE2 TRP A 64 -2.615 8.045 3.850 1.00 0.00 C ATOM 947 CE3 TRP A 64 -1.525 7.163 1.883 1.00 0.00 C ATOM 948 CZ2 TRP A 64 -1.804 7.288 4.692 1.00 0.00 C ATOM 949 CZ3 TRP A 64 -0.722 6.412 2.720 1.00 0.00 C ATOM 950 CH2 TRP A 64 -0.866 6.478 4.113 1.00 0.00 C ATOM 0 HA TRP A 64 -2.149 10.645 0.402 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.797 9.165 0.273 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.284 8.386 -0.144 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.936 10.148 2.911 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.938 9.168 5.086 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.408 7.104 0.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -1.912 7.339 5.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.029 5.763 2.294 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.224 5.878 4.741 1.00 0.00 H new ATOM 961 N ILE A 65 -1.929 10.174 -2.061 1.00 0.00 N ATOM 962 CA ILE A 65 -1.729 10.166 -3.504 1.00 0.00 C ATOM 963 C ILE A 65 -1.520 8.748 -4.022 1.00 0.00 C ATOM 964 O ILE A 65 -1.359 7.808 -3.243 1.00 0.00 O ATOM 965 CB ILE A 65 -0.521 11.031 -3.910 1.00 0.00 C ATOM 966 CG1 ILE A 65 -0.354 12.200 -2.936 1.00 0.00 C ATOM 967 CG2 ILE A 65 -0.687 11.542 -5.333 1.00 0.00 C ATOM 968 CD1 ILE A 65 -1.473 13.215 -3.012 1.00 0.00 C ATOM 0 H ILE A 65 -1.124 9.857 -1.521 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.632 10.584 -3.950 1.00 0.00 H new ATOM 0 HB ILE A 65 0.377 10.415 -3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.297 11.810 -1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.593 12.700 -3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.175 12.151 -5.604 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.763 10.696 -6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.593 12.145 -5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.288 14.014 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.517 13.633 -4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.421 12.730 -2.779 1.00 0.00 H new ATOM 980 N LEU A 66 -1.520 8.599 -5.342 1.00 0.00 N ATOM 981 CA LEU A 66 -1.327 7.294 -5.966 1.00 0.00 C ATOM 982 C LEU A 66 0.083 7.162 -6.529 1.00 0.00 C ATOM 983 O LEU A 66 0.484 7.923 -7.410 1.00 0.00 O ATOM 984 CB LEU A 66 -2.356 7.083 -7.078 1.00 0.00 C ATOM 985 CG LEU A 66 -2.300 5.734 -7.797 1.00 0.00 C ATOM 986 CD1 LEU A 66 -2.459 4.594 -6.804 1.00 0.00 C ATOM 987 CD2 LEU A 66 -3.371 5.660 -8.875 1.00 0.00 C ATOM 0 H LEU A 66 -1.652 9.366 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.464 6.529 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.352 7.204 -6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.228 7.872 -7.819 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.325 5.638 -8.275 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.417 3.642 -7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.655 4.637 -6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.419 4.685 -6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.317 4.694 -9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.354 5.778 -8.420 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.211 6.456 -9.603 1.00 0.00 H new ATOM 999 N ALA A 67 0.831 6.191 -6.016 1.00 0.00 N ATOM 1000 CA ALA A 67 2.196 5.957 -6.472 1.00 0.00 C ATOM 1001 C ALA A 67 2.221 5.011 -7.668 1.00 0.00 C ATOM 1002 O ALA A 67 2.491 5.427 -8.796 1.00 0.00 O ATOM 1003 CB ALA A 67 3.042 5.397 -5.338 1.00 0.00 C ATOM 0 H ALA A 67 0.515 5.554 -5.285 1.00 0.00 H new ATOM 0 HA ALA A 67 2.616 6.912 -6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.059 5.227 -5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.060 6.108 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.614 4.454 -4.996 1.00 0.00 H new ATOM 1009 N THR A 68 1.938 3.738 -7.417 1.00 0.00 N ATOM 1010 CA THR A 68 1.930 2.733 -8.473 1.00 0.00 C ATOM 1011 C THR A 68 0.587 2.015 -8.538 1.00 0.00 C ATOM 1012 O THR A 68 -0.326 2.313 -7.768 1.00 0.00 O ATOM 1013 CB THR A 68 3.047 1.692 -8.266 1.00 0.00 C ATOM 1014 OG1 THR A 68 3.314 1.011 -9.498 1.00 0.00 O ATOM 1015 CG2 THR A 68 2.656 0.684 -7.197 1.00 0.00 C ATOM 0 H THR A 68 1.711 3.377 -6.490 1.00 0.00 H new ATOM 0 HA THR A 68 2.103 3.259 -9.412 1.00 0.00 H new ATOM 0 HB THR A 68 3.945 2.214 -7.937 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.026 0.352 -9.360 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.460 -0.041 -7.069 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.481 1.203 -6.254 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.746 0.166 -7.501 1.00 0.00 H new ATOM 1023 N SER A 69 0.473 1.065 -9.462 1.00 0.00 N ATOM 1024 CA SER A 69 -0.759 0.306 -9.629 1.00 0.00 C ATOM 1025 C SER A 69 -0.578 -0.805 -10.659 1.00 0.00 C ATOM 1026 O SER A 69 0.465 -0.904 -11.304 1.00 0.00 O ATOM 1027 CB SER A 69 -1.900 1.232 -10.057 1.00 0.00 C ATOM 1028 OG SER A 69 -1.832 1.518 -11.444 1.00 0.00 O ATOM 0 H SER A 69 1.220 0.804 -10.106 1.00 0.00 H new ATOM 0 HA SER A 69 -1.009 -0.148 -8.670 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.857 0.766 -9.825 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.852 2.161 -9.488 1.00 0.00 H new ATOM 0 HG SER A 69 -2.573 2.110 -11.693 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.602 -1.639 -10.806 1.00 0.00 N ATOM 1035 CA ALA A 70 -1.558 -2.743 -11.758 1.00 0.00 C ATOM 1036 C ALA A 70 -0.528 -3.787 -11.341 1.00 0.00 C ATOM 1037 O ALA A 70 0.061 -4.464 -12.184 1.00 0.00 O ATOM 1038 CB ALA A 70 -1.248 -2.223 -13.154 1.00 0.00 C ATOM 0 H ALA A 70 -2.472 -1.572 -10.278 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.538 -3.221 -11.768 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.218 -3.057 -13.855 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.022 -1.519 -13.460 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.281 -1.719 -13.148 1.00 0.00 H new ATOM 1044 N ILE A 71 -0.315 -3.912 -10.036 1.00 0.00 N ATOM 1045 CA ILE A 71 0.643 -4.875 -9.506 1.00 0.00 C ATOM 1046 C ILE A 71 0.034 -6.270 -9.427 1.00 0.00 C ATOM 1047 O ILE A 71 -1.118 -6.451 -9.030 1.00 0.00 O ATOM 1048 CB ILE A 71 1.141 -4.463 -8.108 1.00 0.00 C ATOM 1049 CG1 ILE A 71 1.803 -3.086 -8.163 1.00 0.00 C ATOM 1050 CG2 ILE A 71 2.112 -5.502 -7.565 1.00 0.00 C ATOM 1051 CD1 ILE A 71 2.350 -2.624 -6.831 1.00 0.00 C ATOM 0 H ILE A 71 -0.793 -3.358 -9.325 1.00 0.00 H new ATOM 0 HA ILE A 71 1.489 -4.890 -10.193 1.00 0.00 H new ATOM 0 HB ILE A 71 0.285 -4.406 -7.436 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.614 -3.111 -8.891 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.076 -2.357 -8.521 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.456 -5.197 -6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.610 -6.467 -7.493 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.967 -5.587 -8.236 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.805 -1.640 -6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.539 -2.566 -6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.101 -3.332 -6.481 1.00 0.00 H new ATOM 1063 N PRO A 72 0.824 -7.283 -9.812 1.00 0.00 N ATOM 1064 CA PRO A 72 0.384 -8.682 -9.791 1.00 0.00 C ATOM 1065 C PRO A 72 0.222 -9.217 -8.373 1.00 0.00 C ATOM 1066 O PRO A 72 0.804 -8.701 -7.418 1.00 0.00 O ATOM 1067 CB PRO A 72 1.513 -9.420 -10.516 1.00 0.00 C ATOM 1068 CG PRO A 72 2.713 -8.558 -10.322 1.00 0.00 C ATOM 1069 CD PRO A 72 2.207 -7.142 -10.296 1.00 0.00 C ATOM 0 HA PRO A 72 -0.594 -8.809 -10.256 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.668 -10.415 -10.098 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.286 -9.550 -11.574 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.225 -8.806 -9.393 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.431 -8.701 -11.130 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.803 -6.515 -9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.242 -6.684 -11.285 1.00 0.00 H new ATOM 1077 N PRO A 73 -0.587 -10.278 -8.228 1.00 0.00 N ATOM 1078 CA PRO A 73 -0.842 -10.908 -6.929 1.00 0.00 C ATOM 1079 C PRO A 73 0.379 -11.642 -6.390 1.00 0.00 C ATOM 1080 O PRO A 73 0.475 -11.912 -5.192 1.00 0.00 O ATOM 1081 CB PRO A 73 -1.971 -11.896 -7.231 1.00 0.00 C ATOM 1082 CG PRO A 73 -1.829 -12.204 -8.681 1.00 0.00 C ATOM 1083 CD PRO A 73 -1.312 -10.945 -9.322 1.00 0.00 C ATOM 0 HA PRO A 73 -1.092 -10.175 -6.162 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.881 -12.797 -6.624 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.946 -11.461 -7.013 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.140 -13.034 -8.838 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.785 -12.498 -9.113 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.656 -11.163 -10.164 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.124 -10.325 -9.703 1.00 0.00 H new ATOM 1091 N SER A 74 1.312 -11.964 -7.281 1.00 0.00 N ATOM 1092 CA SER A 74 2.528 -12.670 -6.895 1.00 0.00 C ATOM 1093 C SER A 74 3.594 -11.693 -6.407 1.00 0.00 C ATOM 1094 O SER A 74 4.571 -12.089 -5.773 1.00 0.00 O ATOM 1095 CB SER A 74 3.066 -13.484 -8.073 1.00 0.00 C ATOM 1096 OG SER A 74 3.808 -14.604 -7.622 1.00 0.00 O ATOM 0 H SER A 74 1.249 -11.747 -8.276 1.00 0.00 H new ATOM 0 HA SER A 74 2.281 -13.347 -6.077 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.237 -13.820 -8.696 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.698 -12.852 -8.697 1.00 0.00 H new ATOM 0 HG SER A 74 4.140 -15.109 -8.394 1.00 0.00 H new ATOM 1102 N ARG A 75 3.397 -10.414 -6.711 1.00 0.00 N ATOM 1103 CA ARG A 75 4.341 -9.379 -6.306 1.00 0.00 C ATOM 1104 C ARG A 75 3.869 -8.681 -5.034 1.00 0.00 C ATOM 1105 O ARG A 75 2.991 -7.818 -5.077 1.00 0.00 O ATOM 1106 CB ARG A 75 4.520 -8.355 -7.428 1.00 0.00 C ATOM 1107 CG ARG A 75 5.502 -7.245 -7.089 1.00 0.00 C ATOM 1108 CD ARG A 75 6.116 -6.642 -8.343 1.00 0.00 C ATOM 1109 NE ARG A 75 7.452 -6.107 -8.095 1.00 0.00 N ATOM 1110 CZ ARG A 75 8.119 -5.363 -8.970 1.00 0.00 C ATOM 1111 NH1 ARG A 75 7.577 -5.068 -10.144 1.00 0.00 N ATOM 1112 NH2 ARG A 75 9.331 -4.913 -8.672 1.00 0.00 N ATOM 0 H ARG A 75 2.593 -10.070 -7.236 1.00 0.00 H new ATOM 0 HA ARG A 75 5.300 -9.856 -6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.862 -8.869 -8.326 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.552 -7.913 -7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.991 -6.467 -6.522 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.292 -7.639 -6.449 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.169 -7.402 -9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.471 -5.847 -8.716 1.00 0.00 H new ATOM 0 HE ARG A 75 7.897 -6.316 -7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.646 -5.413 -10.377 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.092 -4.496 -10.814 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.751 -5.138 -7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.843 -4.342 -9.345 1.00 0.00 H new ATOM 1126 N LEU A 76 4.456 -9.059 -3.904 1.00 0.00 N ATOM 1127 CA LEU A 76 4.096 -8.468 -2.620 1.00 0.00 C ATOM 1128 C LEU A 76 5.084 -7.377 -2.226 1.00 0.00 C ATOM 1129 O LEU A 76 5.035 -6.852 -1.113 1.00 0.00 O ATOM 1130 CB LEU A 76 4.051 -9.547 -1.536 1.00 0.00 C ATOM 1131 CG LEU A 76 3.196 -10.775 -1.847 1.00 0.00 C ATOM 1132 CD1 LEU A 76 3.195 -11.738 -0.669 1.00 0.00 C ATOM 1133 CD2 LEU A 76 1.774 -10.361 -2.199 1.00 0.00 C ATOM 0 H LEU A 76 5.183 -9.772 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 76 3.108 -8.018 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.070 -9.879 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.680 -9.095 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 76 3.629 -11.285 -2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.581 -12.606 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.215 -12.061 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.788 -11.238 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.180 -11.249 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.332 -9.826 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.790 -9.711 -3.074 1.00 0.00 H new ATOM 1145 N SER A 77 5.981 -7.036 -3.147 1.00 0.00 N ATOM 1146 CA SER A 77 6.983 -6.007 -2.894 1.00 0.00 C ATOM 1147 C SER A 77 7.371 -5.298 -4.189 1.00 0.00 C ATOM 1148 O SER A 77 7.650 -5.940 -5.202 1.00 0.00 O ATOM 1149 CB SER A 77 8.224 -6.622 -2.244 1.00 0.00 C ATOM 1150 OG SER A 77 9.380 -5.849 -2.520 1.00 0.00 O ATOM 0 H SER A 77 6.034 -7.457 -4.074 1.00 0.00 H new ATOM 0 HA SER A 77 6.552 -5.273 -2.213 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.078 -6.691 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.366 -7.638 -2.612 1.00 0.00 H new ATOM 0 HG SER A 77 9.737 -5.485 -1.683 1.00 0.00 H new ATOM 1156 N VAL A 78 7.387 -3.970 -4.146 1.00 0.00 N ATOM 1157 CA VAL A 78 7.742 -3.173 -5.315 1.00 0.00 C ATOM 1158 C VAL A 78 8.465 -1.894 -4.908 1.00 0.00 C ATOM 1159 O VAL A 78 8.434 -1.495 -3.743 1.00 0.00 O ATOM 1160 CB VAL A 78 6.496 -2.805 -6.142 1.00 0.00 C ATOM 1161 CG1 VAL A 78 5.543 -3.986 -6.228 1.00 0.00 C ATOM 1162 CG2 VAL A 78 5.801 -1.590 -5.546 1.00 0.00 C ATOM 0 H VAL A 78 7.159 -3.423 -3.316 1.00 0.00 H new ATOM 0 HA VAL A 78 8.407 -3.784 -5.926 1.00 0.00 H new ATOM 0 HB VAL A 78 6.815 -2.553 -7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.669 -3.706 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.047 -4.827 -6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.228 -4.273 -5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.923 -1.344 -6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.495 -1.811 -4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.487 -0.743 -5.544 1.00 0.00 H new ATOM 1172 N GLU A 79 9.114 -1.254 -5.875 1.00 0.00 N ATOM 1173 CA GLU A 79 9.845 -0.019 -5.617 1.00 0.00 C ATOM 1174 C GLU A 79 9.012 1.199 -6.007 1.00 0.00 C ATOM 1175 O GLU A 79 8.763 1.440 -7.188 1.00 0.00 O ATOM 1176 CB GLU A 79 11.168 -0.013 -6.385 1.00 0.00 C ATOM 1177 CG GLU A 79 12.028 1.208 -6.105 1.00 0.00 C ATOM 1178 CD GLU A 79 13.256 1.272 -6.993 1.00 0.00 C ATOM 1179 OE1 GLU A 79 13.095 1.255 -8.232 1.00 0.00 O ATOM 1180 OE2 GLU A 79 14.379 1.340 -6.449 1.00 0.00 O ATOM 0 H GLU A 79 9.149 -1.570 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 79 10.053 0.032 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.731 -0.910 -6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.959 -0.062 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.432 2.109 -6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.340 1.197 -5.061 1.00 0.00 H new ATOM 1187 N ILE A 80 8.585 1.961 -5.006 1.00 0.00 N ATOM 1188 CA ILE A 80 7.781 3.153 -5.245 1.00 0.00 C ATOM 1189 C ILE A 80 8.649 4.320 -5.702 1.00 0.00 C ATOM 1190 O ILE A 80 9.317 4.967 -4.893 1.00 0.00 O ATOM 1191 CB ILE A 80 7.004 3.571 -3.982 1.00 0.00 C ATOM 1192 CG1 ILE A 80 6.138 2.411 -3.483 1.00 0.00 C ATOM 1193 CG2 ILE A 80 6.147 4.795 -4.268 1.00 0.00 C ATOM 1194 CD1 ILE A 80 5.005 2.056 -4.422 1.00 0.00 C ATOM 0 H ILE A 80 8.782 1.775 -4.023 1.00 0.00 H new ATOM 0 HA ILE A 80 7.071 2.901 -6.033 1.00 0.00 H new ATOM 0 HB ILE A 80 7.719 3.828 -3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.768 1.533 -3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.724 2.670 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.604 5.078 -3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.785 5.621 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.436 4.564 -5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.433 1.227 -4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.352 2.920 -4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.412 1.766 -5.390 1.00 0.00 H new ATOM 1206 N THR A 81 8.635 4.587 -7.005 1.00 0.00 N ATOM 1207 CA THR A 81 9.422 5.676 -7.571 1.00 0.00 C ATOM 1208 C THR A 81 8.562 6.916 -7.794 1.00 0.00 C ATOM 1209 O THR A 81 7.334 6.840 -7.791 1.00 0.00 O ATOM 1210 CB THR A 81 10.069 5.267 -8.907 1.00 0.00 C ATOM 1211 OG1 THR A 81 9.061 5.100 -9.909 1.00 0.00 O ATOM 1212 CG2 THR A 81 10.858 3.975 -8.753 1.00 0.00 C ATOM 0 H THR A 81 8.087 4.064 -7.688 1.00 0.00 H new ATOM 0 HA THR A 81 10.208 5.906 -6.851 1.00 0.00 H new ATOM 0 HB THR A 81 10.754 6.058 -9.211 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.481 4.842 -10.756 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.306 3.706 -9.710 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.644 4.115 -8.011 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.190 3.177 -8.428 1.00 0.00 H new ATOM 1220 N GLY A 82 9.217 8.056 -7.988 1.00 0.00 N ATOM 1221 CA GLY A 82 8.496 9.296 -8.211 1.00 0.00 C ATOM 1222 C GLY A 82 8.212 10.042 -6.922 1.00 0.00 C ATOM 1223 O GLY A 82 7.151 10.648 -6.767 1.00 0.00 O ATOM 0 H GLY A 82 10.233 8.144 -7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.076 9.935 -8.877 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.555 9.080 -8.717 1.00 0.00 H new ATOM 1227 N LEU A 83 9.161 9.996 -5.992 1.00 0.00 N ATOM 1228 CA LEU A 83 9.007 10.672 -4.708 1.00 0.00 C ATOM 1229 C LEU A 83 9.852 11.940 -4.656 1.00 0.00 C ATOM 1230 O LEU A 83 10.701 12.166 -5.517 1.00 0.00 O ATOM 1231 CB LEU A 83 9.402 9.734 -3.566 1.00 0.00 C ATOM 1232 CG LEU A 83 8.733 8.358 -3.565 1.00 0.00 C ATOM 1233 CD1 LEU A 83 9.390 7.446 -2.541 1.00 0.00 C ATOM 1234 CD2 LEU A 83 7.243 8.490 -3.286 1.00 0.00 C ATOM 0 H LEU A 83 10.044 9.498 -6.103 1.00 0.00 H new ATOM 0 HA LEU A 83 7.960 10.951 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.482 9.591 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.173 10.228 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 83 8.860 7.913 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.901 6.472 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.445 7.326 -2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.295 7.886 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.783 7.502 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.095 8.956 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.782 9.107 -4.057 1.00 0.00 H new ATOM 1246 N GLU A 84 9.615 12.761 -3.638 1.00 0.00 N ATOM 1247 CA GLU A 84 10.356 14.006 -3.473 1.00 0.00 C ATOM 1248 C GLU A 84 11.244 13.950 -2.234 1.00 0.00 C ATOM 1249 O GLU A 84 10.774 13.671 -1.130 1.00 0.00 O ATOM 1250 CB GLU A 84 9.392 15.190 -3.370 1.00 0.00 C ATOM 1251 CG GLU A 84 8.636 15.472 -4.657 1.00 0.00 C ATOM 1252 CD GLU A 84 7.335 14.697 -4.750 1.00 0.00 C ATOM 1253 OE1 GLU A 84 7.380 13.508 -5.128 1.00 0.00 O ATOM 1254 OE2 GLU A 84 6.273 15.280 -4.447 1.00 0.00 O ATOM 0 H GLU A 84 8.916 12.587 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 84 10.991 14.139 -4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.675 14.996 -2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.952 16.080 -3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.425 16.539 -4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.268 15.218 -5.508 1.00 0.00 H new ATOM 1261 N LYS A 85 12.532 14.216 -2.423 1.00 0.00 N ATOM 1262 CA LYS A 85 13.489 14.197 -1.322 1.00 0.00 C ATOM 1263 C LYS A 85 13.171 15.291 -0.307 1.00 0.00 C ATOM 1264 O LYS A 85 12.553 16.301 -0.641 1.00 0.00 O ATOM 1265 CB LYS A 85 14.912 14.377 -1.853 1.00 0.00 C ATOM 1266 CG LYS A 85 15.606 13.069 -2.190 1.00 0.00 C ATOM 1267 CD LYS A 85 16.601 13.241 -3.325 1.00 0.00 C ATOM 1268 CE LYS A 85 15.934 13.078 -4.682 1.00 0.00 C ATOM 1269 NZ LYS A 85 15.363 14.362 -5.177 1.00 0.00 N ATOM 0 H LYS A 85 12.938 14.448 -3.330 1.00 0.00 H new ATOM 0 HA LYS A 85 13.414 13.230 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.881 15.003 -2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.503 14.911 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.122 12.692 -1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.862 12.322 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.061 14.227 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.402 12.509 -3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.662 12.703 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.142 12.332 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.322 14.346 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.404 14.486 -4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.964 15.152 -4.867 1.00 0.00 H new ATOM 1283 N GLY A 86 13.599 15.081 0.934 1.00 0.00 N ATOM 1284 CA GLY A 86 13.352 16.060 1.979 1.00 0.00 C ATOM 1285 C GLY A 86 11.883 16.166 2.336 1.00 0.00 C ATOM 1286 O GLY A 86 11.478 17.079 3.058 1.00 0.00 O ATOM 0 H GLY A 86 14.112 14.252 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.921 15.789 2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.715 17.035 1.653 1.00 0.00 H new ATOM 1290 N ILE A 87 11.083 15.234 1.830 1.00 0.00 N ATOM 1291 CA ILE A 87 9.650 15.228 2.101 1.00 0.00 C ATOM 1292 C ILE A 87 9.219 13.919 2.753 1.00 0.00 C ATOM 1293 O ILE A 87 9.175 12.875 2.103 1.00 0.00 O ATOM 1294 CB ILE A 87 8.833 15.440 0.812 1.00 0.00 C ATOM 1295 CG1 ILE A 87 9.094 16.836 0.241 1.00 0.00 C ATOM 1296 CG2 ILE A 87 7.350 15.244 1.087 1.00 0.00 C ATOM 1297 CD1 ILE A 87 8.578 17.954 1.119 1.00 0.00 C ATOM 0 H ILE A 87 11.402 14.473 1.230 1.00 0.00 H new ATOM 0 HA ILE A 87 9.455 16.053 2.786 1.00 0.00 H new ATOM 0 HB ILE A 87 9.147 14.701 0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.166 16.965 0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.627 16.911 -0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.786 15.397 0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.179 14.232 1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.021 15.962 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.798 18.914 0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.500 17.850 1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.064 17.905 2.094 1.00 0.00 H new ATOM 1309 N SER A 88 8.900 13.984 4.041 1.00 0.00 N ATOM 1310 CA SER A 88 8.474 12.803 4.784 1.00 0.00 C ATOM 1311 C SER A 88 7.062 12.388 4.379 1.00 0.00 C ATOM 1312 O SER A 88 6.192 13.232 4.166 1.00 0.00 O ATOM 1313 CB SER A 88 8.527 13.073 6.289 1.00 0.00 C ATOM 1314 OG SER A 88 9.524 14.031 6.600 1.00 0.00 O ATOM 0 H SER A 88 8.928 14.842 4.592 1.00 0.00 H new ATOM 0 HA SER A 88 9.157 11.988 4.545 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.556 13.430 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.732 12.144 6.821 1.00 0.00 H new ATOM 0 HG SER A 88 9.537 14.188 7.567 1.00 0.00 H new ATOM 1320 N TYR A 89 6.843 11.081 4.275 1.00 0.00 N ATOM 1321 CA TYR A 89 5.539 10.553 3.894 1.00 0.00 C ATOM 1322 C TYR A 89 5.433 9.070 4.234 1.00 0.00 C ATOM 1323 O TYR A 89 6.436 8.405 4.489 1.00 0.00 O ATOM 1324 CB TYR A 89 5.297 10.763 2.398 1.00 0.00 C ATOM 1325 CG TYR A 89 6.569 10.811 1.581 1.00 0.00 C ATOM 1326 CD1 TYR A 89 7.533 9.817 1.700 1.00 0.00 C ATOM 1327 CD2 TYR A 89 6.807 11.850 0.689 1.00 0.00 C ATOM 1328 CE1 TYR A 89 8.696 9.856 0.955 1.00 0.00 C ATOM 1329 CE2 TYR A 89 7.966 11.897 -0.060 1.00 0.00 C ATOM 1330 CZ TYR A 89 8.908 10.898 0.077 1.00 0.00 C ATOM 1331 OH TYR A 89 10.064 10.943 -0.668 1.00 0.00 O ATOM 0 H TYR A 89 7.552 10.369 4.449 1.00 0.00 H new ATOM 0 HA TYR A 89 4.778 11.093 4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.665 9.958 2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.747 11.693 2.254 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.370 9.000 2.387 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.073 12.634 0.580 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.435 9.075 1.060 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.134 12.711 -0.749 1.00 0.00 H new ATOM 0 HH TYR A 89 10.312 11.877 -0.831 1.00 0.00 H new ATOM 1341 N LYS A 90 4.206 8.557 4.237 1.00 0.00 N ATOM 1342 CA LYS A 90 3.964 7.152 4.544 1.00 0.00 C ATOM 1343 C LYS A 90 3.530 6.390 3.297 1.00 0.00 C ATOM 1344 O LYS A 90 3.512 6.940 2.195 1.00 0.00 O ATOM 1345 CB LYS A 90 2.896 7.024 5.632 1.00 0.00 C ATOM 1346 CG LYS A 90 3.054 8.026 6.761 1.00 0.00 C ATOM 1347 CD LYS A 90 2.310 7.581 8.010 1.00 0.00 C ATOM 1348 CE LYS A 90 2.955 8.136 9.270 1.00 0.00 C ATOM 1349 NZ LYS A 90 2.073 7.980 10.460 1.00 0.00 N ATOM 0 H LYS A 90 3.364 9.094 4.030 1.00 0.00 H new ATOM 0 HA LYS A 90 4.896 6.718 4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.912 7.151 5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.929 6.016 6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.112 8.152 6.992 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.680 8.998 6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.273 7.912 7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.295 6.492 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.901 7.624 9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.186 9.191 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.549 8.371 11.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.180 8.489 10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.873 6.971 10.614 1.00 0.00 H new ATOM 1363 N PHE A 91 3.178 5.121 3.476 1.00 0.00 N ATOM 1364 CA PHE A 91 2.742 4.284 2.365 1.00 0.00 C ATOM 1365 C PHE A 91 1.665 3.301 2.814 1.00 0.00 C ATOM 1366 O PHE A 91 1.531 3.012 4.003 1.00 0.00 O ATOM 1367 CB PHE A 91 3.931 3.521 1.777 1.00 0.00 C ATOM 1368 CG PHE A 91 5.054 4.413 1.329 1.00 0.00 C ATOM 1369 CD1 PHE A 91 5.981 4.892 2.241 1.00 0.00 C ATOM 1370 CD2 PHE A 91 5.182 4.771 -0.003 1.00 0.00 C ATOM 1371 CE1 PHE A 91 7.014 5.714 1.831 1.00 0.00 C ATOM 1372 CE2 PHE A 91 6.214 5.592 -0.418 1.00 0.00 C ATOM 1373 CZ PHE A 91 7.132 6.063 0.500 1.00 0.00 C ATOM 0 H PHE A 91 3.186 4.650 4.381 1.00 0.00 H new ATOM 0 HA PHE A 91 2.320 4.933 1.598 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.309 2.822 2.523 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.588 2.928 0.929 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.895 4.620 3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.468 4.405 -0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.729 6.083 2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.302 5.865 -1.459 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.940 6.703 0.178 1.00 0.00 H new ATOM 1383 N ARG A 92 0.900 2.792 1.854 1.00 0.00 N ATOM 1384 CA ARG A 92 -0.168 1.843 2.150 1.00 0.00 C ATOM 1385 C ARG A 92 -0.394 0.895 0.975 1.00 0.00 C ATOM 1386 O ARG A 92 0.207 1.053 -0.088 1.00 0.00 O ATOM 1387 CB ARG A 92 -1.464 2.587 2.477 1.00 0.00 C ATOM 1388 CG ARG A 92 -2.026 3.373 1.303 1.00 0.00 C ATOM 1389 CD ARG A 92 -3.525 3.592 1.448 1.00 0.00 C ATOM 1390 NE ARG A 92 -3.832 4.670 2.385 1.00 0.00 N ATOM 1391 CZ ARG A 92 -4.963 5.367 2.357 1.00 0.00 C ATOM 1392 NH1 ARG A 92 -5.888 5.101 1.445 1.00 0.00 N ATOM 1393 NH2 ARG A 92 -5.170 6.332 3.244 1.00 0.00 N ATOM 0 H ARG A 92 0.999 3.020 0.865 1.00 0.00 H new ATOM 0 HA ARG A 92 0.133 1.254 3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.211 1.868 2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.282 3.270 3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.521 4.336 1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.823 2.839 0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.953 3.826 0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.995 2.670 1.790 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.141 4.900 3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.733 4.359 0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.755 5.638 1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.461 6.539 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.038 6.867 3.222 1.00 0.00 H new ATOM 1407 N VAL A 93 -1.264 -0.089 1.175 1.00 0.00 N ATOM 1408 CA VAL A 93 -1.570 -1.061 0.133 1.00 0.00 C ATOM 1409 C VAL A 93 -3.062 -1.377 0.097 1.00 0.00 C ATOM 1410 O VAL A 93 -3.714 -1.457 1.138 1.00 0.00 O ATOM 1411 CB VAL A 93 -0.785 -2.370 0.339 1.00 0.00 C ATOM 1412 CG1 VAL A 93 -1.158 -3.390 -0.727 1.00 0.00 C ATOM 1413 CG2 VAL A 93 0.713 -2.100 0.328 1.00 0.00 C ATOM 0 H VAL A 93 -1.769 -0.234 2.049 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.273 -0.613 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.050 -2.783 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.593 -4.308 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.225 -3.605 -0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.923 -2.989 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.252 -3.036 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.997 -1.664 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.964 -1.407 1.131 1.00 0.00 H new ATOM 1423 N ARG A 94 -3.594 -1.557 -1.107 1.00 0.00 N ATOM 1424 CA ARG A 94 -5.009 -1.863 -1.279 1.00 0.00 C ATOM 1425 C ARG A 94 -5.199 -3.023 -2.252 1.00 0.00 C ATOM 1426 O ARG A 94 -4.470 -3.147 -3.236 1.00 0.00 O ATOM 1427 CB ARG A 94 -5.761 -0.630 -1.784 1.00 0.00 C ATOM 1428 CG ARG A 94 -6.124 0.354 -0.685 1.00 0.00 C ATOM 1429 CD ARG A 94 -7.404 1.107 -1.012 1.00 0.00 C ATOM 1430 NE ARG A 94 -7.835 1.959 0.093 1.00 0.00 N ATOM 1431 CZ ARG A 94 -8.776 2.890 -0.020 1.00 0.00 C ATOM 1432 NH1 ARG A 94 -9.381 3.087 -1.184 1.00 0.00 N ATOM 1433 NH2 ARG A 94 -9.114 3.626 1.031 1.00 0.00 N ATOM 0 H ARG A 94 -3.067 -1.496 -1.978 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.413 -2.155 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.149 -0.121 -2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.673 -0.952 -2.288 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.245 -0.180 0.257 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.308 1.064 -0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.248 1.718 -1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.194 0.394 -1.249 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.389 1.832 1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.124 2.523 -1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.103 3.802 -1.269 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.651 3.478 1.928 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.837 4.340 0.942 1.00 0.00 H new ATOM 1447 N ALA A 95 -6.183 -3.870 -1.969 1.00 0.00 N ATOM 1448 CA ALA A 95 -6.470 -5.019 -2.818 1.00 0.00 C ATOM 1449 C ALA A 95 -7.710 -4.774 -3.672 1.00 0.00 C ATOM 1450 O ALA A 95 -8.762 -4.388 -3.160 1.00 0.00 O ATOM 1451 CB ALA A 95 -6.648 -6.271 -1.972 1.00 0.00 C ATOM 0 H ALA A 95 -6.795 -3.782 -1.158 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.622 -5.165 -3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.862 -7.121 -2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.734 -6.464 -1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.476 -6.127 -1.278 1.00 0.00 H new ATOM 1457 N LEU A 96 -7.580 -5.000 -4.975 1.00 0.00 N ATOM 1458 CA LEU A 96 -8.692 -4.803 -5.900 1.00 0.00 C ATOM 1459 C LEU A 96 -9.003 -6.089 -6.659 1.00 0.00 C ATOM 1460 O LEU A 96 -8.163 -6.603 -7.398 1.00 0.00 O ATOM 1461 CB LEU A 96 -8.367 -3.680 -6.886 1.00 0.00 C ATOM 1462 CG LEU A 96 -8.609 -2.256 -6.386 1.00 0.00 C ATOM 1463 CD1 LEU A 96 -7.517 -1.840 -5.412 1.00 0.00 C ATOM 1464 CD2 LEU A 96 -8.681 -1.285 -7.555 1.00 0.00 C ATOM 0 H LEU A 96 -6.717 -5.319 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.571 -4.525 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.320 -3.769 -7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.960 -3.833 -7.788 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.564 -2.233 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.706 -0.824 -5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.513 -2.518 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.549 -1.880 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.854 -0.276 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.742 -1.311 -8.108 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.499 -1.571 -8.216 1.00 0.00 H new ATOM 1476 N ASN A 97 -10.213 -6.602 -6.472 1.00 0.00 N ATOM 1477 CA ASN A 97 -10.636 -7.827 -7.141 1.00 0.00 C ATOM 1478 C ASN A 97 -11.902 -7.591 -7.960 1.00 0.00 C ATOM 1479 O ASN A 97 -12.371 -6.461 -8.085 1.00 0.00 O ATOM 1480 CB ASN A 97 -10.878 -8.936 -6.116 1.00 0.00 C ATOM 1481 CG ASN A 97 -12.144 -8.713 -5.312 1.00 0.00 C ATOM 1482 OD1 ASN A 97 -12.759 -7.649 -5.383 1.00 0.00 O ATOM 1483 ND2 ASN A 97 -12.541 -9.720 -4.541 1.00 0.00 N ATOM 0 H ASN A 97 -10.919 -6.189 -5.863 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.839 -8.135 -7.818 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.942 -9.895 -6.630 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.026 -8.993 -5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.386 -9.628 -3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.000 -10.585 -4.513 1.00 0.00 H new ATOM 1490 N MET A 98 -12.450 -8.667 -8.515 1.00 0.00 N ATOM 1491 CA MET A 98 -13.663 -8.579 -9.320 1.00 0.00 C ATOM 1492 C MET A 98 -14.858 -8.184 -8.459 1.00 0.00 C ATOM 1493 O MET A 98 -15.969 -8.009 -8.963 1.00 0.00 O ATOM 1494 CB MET A 98 -13.939 -9.912 -10.016 1.00 0.00 C ATOM 1495 CG MET A 98 -14.101 -11.078 -9.053 1.00 0.00 C ATOM 1496 SD MET A 98 -14.358 -12.648 -9.900 1.00 0.00 S ATOM 1497 CE MET A 98 -16.142 -12.651 -10.074 1.00 0.00 C ATOM 0 H MET A 98 -12.073 -9.610 -8.422 1.00 0.00 H new ATOM 0 HA MET A 98 -13.511 -7.809 -10.076 1.00 0.00 H new ATOM 0 HB2 MET A 98 -14.844 -9.819 -10.616 1.00 0.00 H new ATOM 0 HB3 MET A 98 -13.122 -10.130 -10.703 1.00 0.00 H new ATOM 0 HG2 MET A 98 -13.214 -11.150 -8.424 1.00 0.00 H new ATOM 0 HG3 MET A 98 -14.946 -10.884 -8.392 1.00 0.00 H new ATOM 0 HE1 MET A 98 -16.505 -13.679 -10.083 1.00 0.00 H new ATOM 0 HE2 MET A 98 -16.590 -12.115 -9.237 1.00 0.00 H new ATOM 0 HE3 MET A 98 -16.417 -12.161 -11.008 1.00 0.00 H new ATOM 1507 N LEU A 99 -14.626 -8.045 -7.159 1.00 0.00 N ATOM 1508 CA LEU A 99 -15.685 -7.670 -6.228 1.00 0.00 C ATOM 1509 C LEU A 99 -15.550 -6.210 -5.808 1.00 0.00 C ATOM 1510 O LEU A 99 -16.532 -5.565 -5.444 1.00 0.00 O ATOM 1511 CB LEU A 99 -15.647 -8.573 -4.993 1.00 0.00 C ATOM 1512 CG LEU A 99 -15.720 -10.077 -5.258 1.00 0.00 C ATOM 1513 CD1 LEU A 99 -15.705 -10.852 -3.949 1.00 0.00 C ATOM 1514 CD2 LEU A 99 -16.963 -10.417 -6.067 1.00 0.00 C ATOM 0 H LEU A 99 -13.714 -8.186 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.642 -7.796 -6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.728 -8.365 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.477 -8.299 -4.341 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.843 -10.367 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -15.758 -11.920 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.785 -10.633 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -16.562 -10.558 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.998 -11.492 -6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -17.852 -10.112 -5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.931 -9.891 -7.021 1.00 0.00 H new ATOM 1526 N GLY A 100 -14.326 -5.694 -5.864 1.00 0.00 N ATOM 1527 CA GLY A 100 -14.086 -4.312 -5.489 1.00 0.00 C ATOM 1528 C GLY A 100 -12.718 -4.109 -4.870 1.00 0.00 C ATOM 1529 O GLY A 100 -11.851 -4.978 -4.966 1.00 0.00 O ATOM 0 H GLY A 100 -13.497 -6.208 -6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.180 -3.678 -6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.852 -3.992 -4.783 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.522 -2.958 -4.235 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.247 -2.644 -3.601 1.00 0.00 C ATOM 1535 C GLU A 101 -11.316 -2.880 -2.095 1.00 0.00 C ATOM 1536 O GLU A 101 -12.396 -2.874 -1.504 1.00 0.00 O ATOM 1537 CB GLU A 101 -10.857 -1.191 -3.882 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.773 -0.174 -3.221 1.00 0.00 C ATOM 1539 CD GLU A 101 -12.948 0.209 -4.099 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -12.712 0.721 -5.213 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -14.102 0.000 -3.670 1.00 0.00 O ATOM 0 H GLU A 101 -13.229 -2.228 -4.146 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.489 -3.305 -4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.836 -1.025 -3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.861 -1.025 -4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.144 -0.582 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.200 0.720 -2.976 1.00 0.00 H new ATOM 1548 N SER A 102 -10.156 -3.088 -1.480 1.00 0.00 N ATOM 1549 CA SER A 102 -10.084 -3.332 -0.045 1.00 0.00 C ATOM 1550 C SER A 102 -9.858 -2.028 0.716 1.00 0.00 C ATOM 1551 O SER A 102 -9.675 -0.970 0.115 1.00 0.00 O ATOM 1552 CB SER A 102 -8.960 -4.320 0.271 1.00 0.00 C ATOM 1553 OG SER A 102 -7.719 -3.652 0.418 1.00 0.00 O ATOM 0 H SER A 102 -9.253 -3.092 -1.954 1.00 0.00 H new ATOM 0 HA SER A 102 -11.034 -3.760 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.195 -4.862 1.187 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.886 -5.059 -0.527 1.00 0.00 H new ATOM 0 HG SER A 102 -7.685 -3.214 1.294 1.00 0.00 H new ATOM 1559 N GLU A 103 -9.874 -2.114 2.043 1.00 0.00 N ATOM 1560 CA GLU A 103 -9.672 -0.942 2.887 1.00 0.00 C ATOM 1561 C GLU A 103 -8.210 -0.506 2.871 1.00 0.00 C ATOM 1562 O GLU A 103 -7.309 -1.276 2.538 1.00 0.00 O ATOM 1563 CB GLU A 103 -10.112 -1.237 4.321 1.00 0.00 C ATOM 1564 CG GLU A 103 -11.577 -0.933 4.583 1.00 0.00 C ATOM 1565 CD GLU A 103 -11.923 -0.956 6.060 1.00 0.00 C ATOM 1566 OE1 GLU A 103 -11.529 -0.014 6.778 1.00 0.00 O ATOM 1567 OE2 GLU A 103 -12.588 -1.918 6.497 1.00 0.00 O ATOM 0 H GLU A 103 -10.025 -2.983 2.556 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.280 -0.130 2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.923 -2.288 4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.500 -0.652 5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.820 0.047 4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.195 -1.661 4.058 1.00 0.00 H new ATOM 1574 N PRO A 104 -7.967 0.761 3.238 1.00 0.00 N ATOM 1575 CA PRO A 104 -6.616 1.330 3.275 1.00 0.00 C ATOM 1576 C PRO A 104 -5.769 0.738 4.396 1.00 0.00 C ATOM 1577 O PRO A 104 -5.984 1.034 5.571 1.00 0.00 O ATOM 1578 CB PRO A 104 -6.865 2.820 3.523 1.00 0.00 C ATOM 1579 CG PRO A 104 -8.186 2.875 4.209 1.00 0.00 C ATOM 1580 CD PRO A 104 -8.992 1.736 3.648 1.00 0.00 C ATOM 0 HA PRO A 104 -6.061 1.123 2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.080 3.255 4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.881 3.380 2.588 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.070 2.776 5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.680 3.829 4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.669 1.318 4.393 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.604 2.054 2.804 1.00 0.00 H new ATOM 1588 N SER A 105 -4.805 -0.098 4.025 1.00 0.00 N ATOM 1589 CA SER A 105 -3.926 -0.733 5.000 1.00 0.00 C ATOM 1590 C SER A 105 -3.320 0.303 5.942 1.00 0.00 C ATOM 1591 O SER A 105 -3.156 1.467 5.578 1.00 0.00 O ATOM 1592 CB SER A 105 -2.813 -1.505 4.289 1.00 0.00 C ATOM 1593 OG SER A 105 -1.827 -0.625 3.778 1.00 0.00 O ATOM 0 H SER A 105 -4.613 -0.352 3.056 1.00 0.00 H new ATOM 0 HA SER A 105 -4.522 -1.430 5.589 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.353 -2.208 4.984 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.237 -2.093 3.475 1.00 0.00 H new ATOM 0 HG SER A 105 -1.059 -0.605 4.386 1.00 0.00 H new ATOM 1599 N ALA A 106 -2.989 -0.130 7.154 1.00 0.00 N ATOM 1600 CA ALA A 106 -2.401 0.758 8.148 1.00 0.00 C ATOM 1601 C ALA A 106 -1.242 1.553 7.554 1.00 0.00 C ATOM 1602 O ALA A 106 -0.420 1.031 6.802 1.00 0.00 O ATOM 1603 CB ALA A 106 -1.932 -0.039 9.356 1.00 0.00 C ATOM 0 H ALA A 106 -3.118 -1.091 7.471 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.167 1.464 8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.495 0.637 10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.781 -0.559 9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.184 -0.768 9.043 1.00 0.00 H new ATOM 1609 N PRO A 107 -1.175 2.847 7.900 1.00 0.00 N ATOM 1610 CA PRO A 107 -0.121 3.742 7.413 1.00 0.00 C ATOM 1611 C PRO A 107 1.243 3.411 8.009 1.00 0.00 C ATOM 1612 O PRO A 107 1.511 3.710 9.173 1.00 0.00 O ATOM 1613 CB PRO A 107 -0.586 5.124 7.878 1.00 0.00 C ATOM 1614 CG PRO A 107 -1.449 4.855 9.062 1.00 0.00 C ATOM 1615 CD PRO A 107 -2.121 3.536 8.793 1.00 0.00 C ATOM 0 HA PRO A 107 0.014 3.663 6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.260 5.759 8.141 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.140 5.640 7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.856 4.812 9.976 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.185 5.648 9.197 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.287 2.975 9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.094 3.670 8.321 1.00 0.00 H new ATOM 1623 N SER A 108 2.101 2.792 7.204 1.00 0.00 N ATOM 1624 CA SER A 108 3.437 2.418 7.654 1.00 0.00 C ATOM 1625 C SER A 108 4.152 3.609 8.283 1.00 0.00 C ATOM 1626 O SER A 108 3.668 4.739 8.226 1.00 0.00 O ATOM 1627 CB SER A 108 4.258 1.876 6.483 1.00 0.00 C ATOM 1628 OG SER A 108 4.738 2.928 5.665 1.00 0.00 O ATOM 0 H SER A 108 1.895 2.539 6.238 1.00 0.00 H new ATOM 0 HA SER A 108 3.335 1.639 8.409 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.098 1.294 6.863 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.645 1.199 5.888 1.00 0.00 H new ATOM 0 HG SER A 108 4.405 2.810 4.751 1.00 0.00 H new ATOM 1634 N ARG A 109 5.307 3.346 8.885 1.00 0.00 N ATOM 1635 CA ARG A 109 6.090 4.395 9.527 1.00 0.00 C ATOM 1636 C ARG A 109 6.538 5.439 8.510 1.00 0.00 C ATOM 1637 O ARG A 109 6.732 5.149 7.329 1.00 0.00 O ATOM 1638 CB ARG A 109 7.310 3.795 10.228 1.00 0.00 C ATOM 1639 CG ARG A 109 8.280 3.109 9.280 1.00 0.00 C ATOM 1640 CD ARG A 109 9.530 2.636 10.007 1.00 0.00 C ATOM 1641 NE ARG A 109 10.127 1.469 9.366 1.00 0.00 N ATOM 1642 CZ ARG A 109 11.369 1.056 9.600 1.00 0.00 C ATOM 1643 NH1 ARG A 109 12.138 1.712 10.456 1.00 0.00 N ATOM 1644 NH2 ARG A 109 11.841 -0.016 8.978 1.00 0.00 N ATOM 0 H ARG A 109 5.721 2.416 8.942 1.00 0.00 H new ATOM 0 HA ARG A 109 5.457 4.883 10.268 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.836 4.585 10.764 1.00 0.00 H new ATOM 0 HB3 ARG A 109 6.973 3.075 10.973 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.789 2.258 8.808 1.00 0.00 H new ATOM 0 HG3 ARG A 109 8.560 3.798 8.483 1.00 0.00 H new ATOM 0 HD2 ARG A 109 10.259 3.445 10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.279 2.394 11.040 1.00 0.00 H new ATOM 0 HE ARG A 109 9.560 0.941 8.702 1.00 0.00 H new ATOM 0 HH11 ARG A 109 11.778 2.536 10.937 1.00 0.00 H new ATOM 0 HH12 ARG A 109 13.090 1.393 10.634 1.00 0.00 H new ATOM 0 HH21 ARG A 109 11.251 -0.525 8.319 1.00 0.00 H new ATOM 0 HH22 ARG A 109 12.794 -0.332 9.158 1.00 0.00 H new ATOM 1658 N PRO A 110 6.705 6.686 8.976 1.00 0.00 N ATOM 1659 CA PRO A 110 7.132 7.800 8.123 1.00 0.00 C ATOM 1660 C PRO A 110 8.584 7.665 7.677 1.00 0.00 C ATOM 1661 O PRO A 110 9.494 7.607 8.505 1.00 0.00 O ATOM 1662 CB PRO A 110 6.959 9.024 9.024 1.00 0.00 C ATOM 1663 CG PRO A 110 7.073 8.491 10.411 1.00 0.00 C ATOM 1664 CD PRO A 110 6.492 7.106 10.371 1.00 0.00 C ATOM 0 HA PRO A 110 6.556 7.850 7.199 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.724 9.774 8.824 1.00 0.00 H new ATOM 0 HB3 PRO A 110 5.993 9.502 8.862 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.113 8.469 10.736 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.532 9.121 11.117 1.00 0.00 H new ATOM 0 HD2 PRO A 110 6.994 6.439 11.072 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.434 7.106 10.633 1.00 0.00 H new ATOM 1672 N TYR A 111 8.795 7.618 6.367 1.00 0.00 N ATOM 1673 CA TYR A 111 10.137 7.489 5.813 1.00 0.00 C ATOM 1674 C TYR A 111 10.559 8.772 5.104 1.00 0.00 C ATOM 1675 O TYR A 111 9.916 9.209 4.149 1.00 0.00 O ATOM 1676 CB TYR A 111 10.198 6.312 4.837 1.00 0.00 C ATOM 1677 CG TYR A 111 11.562 6.108 4.220 1.00 0.00 C ATOM 1678 CD1 TYR A 111 12.558 5.417 4.901 1.00 0.00 C ATOM 1679 CD2 TYR A 111 11.857 6.604 2.956 1.00 0.00 C ATOM 1680 CE1 TYR A 111 13.807 5.229 4.340 1.00 0.00 C ATOM 1681 CE2 TYR A 111 13.103 6.419 2.388 1.00 0.00 C ATOM 1682 CZ TYR A 111 14.074 5.731 3.083 1.00 0.00 C ATOM 1683 OH TYR A 111 15.316 5.546 2.522 1.00 0.00 O ATOM 0 H TYR A 111 8.053 7.667 5.668 1.00 0.00 H new ATOM 0 HA TYR A 111 10.826 7.306 6.637 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.905 5.402 5.360 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.469 6.472 4.042 1.00 0.00 H new ATOM 0 HD1 TYR A 111 12.352 5.021 5.884 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.099 7.144 2.408 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.570 4.692 4.883 1.00 0.00 H new ATOM 0 HE2 TYR A 111 13.315 6.812 1.404 1.00 0.00 H new ATOM 0 HH TYR A 111 15.339 5.960 1.634 1.00 0.00 H new ATOM 1693 N VAL A 112 11.647 9.373 5.579 1.00 0.00 N ATOM 1694 CA VAL A 112 12.158 10.605 4.992 1.00 0.00 C ATOM 1695 C VAL A 112 13.185 10.310 3.904 1.00 0.00 C ATOM 1696 O VAL A 112 14.333 9.973 4.195 1.00 0.00 O ATOM 1697 CB VAL A 112 12.801 11.511 6.059 1.00 0.00 C ATOM 1698 CG1 VAL A 112 13.277 12.814 5.436 1.00 0.00 C ATOM 1699 CG2 VAL A 112 11.821 11.777 7.191 1.00 0.00 C ATOM 0 H VAL A 112 12.191 9.025 6.369 1.00 0.00 H new ATOM 0 HA VAL A 112 11.306 11.124 4.552 1.00 0.00 H new ATOM 0 HB VAL A 112 13.668 10.997 6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.728 13.441 6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.015 12.599 4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.429 13.337 4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.291 12.419 7.936 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.933 12.271 6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.535 10.833 7.654 1.00 0.00 H new ATOM 1709 N VAL A 113 12.766 10.440 2.650 1.00 0.00 N ATOM 1710 CA VAL A 113 13.650 10.191 1.517 1.00 0.00 C ATOM 1711 C VAL A 113 14.716 11.274 1.403 1.00 0.00 C ATOM 1712 O VAL A 113 14.430 12.401 0.999 1.00 0.00 O ATOM 1713 CB VAL A 113 12.862 10.119 0.196 1.00 0.00 C ATOM 1714 CG1 VAL A 113 13.796 10.293 -0.991 1.00 0.00 C ATOM 1715 CG2 VAL A 113 12.103 8.804 0.099 1.00 0.00 C ATOM 0 H VAL A 113 11.819 10.717 2.392 1.00 0.00 H new ATOM 0 HA VAL A 113 14.132 9.230 1.696 1.00 0.00 H new ATOM 0 HB VAL A 113 12.137 10.932 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.222 10.239 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.290 11.262 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.546 9.502 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.552 8.770 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.808 7.973 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.405 8.725 0.932 1.00 0.00 H new ATOM 1725 N SER A 114 15.947 10.925 1.761 1.00 0.00 N ATOM 1726 CA SER A 114 17.058 11.868 1.702 1.00 0.00 C ATOM 1727 C SER A 114 17.908 11.630 0.458 1.00 0.00 C ATOM 1728 O SER A 114 18.187 12.554 -0.304 1.00 0.00 O ATOM 1729 CB SER A 114 17.924 11.748 2.956 1.00 0.00 C ATOM 1730 OG SER A 114 18.674 12.932 3.174 1.00 0.00 O ATOM 0 H SER A 114 16.201 9.995 2.095 1.00 0.00 H new ATOM 0 HA SER A 114 16.644 12.875 1.650 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.291 11.550 3.821 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.600 10.899 2.855 1.00 0.00 H new ATOM 0 HG SER A 114 19.218 12.830 3.983 1.00 0.00 H new