USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 668 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 59 LYS NZ :NH3+ -123:sc= 0.0837 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.154 USER MOD Set 2.1: A 43 TYR OH : rot 90:sc=-0.00276 USER MOD Set 2.2: A 64 MET CE :methyl -166:sc= -2.85 (180deg=-1.58) USER MOD Set 2.3: A 80 GLN : amide:sc= -3.3 K(o=-6.2,f=-12!) USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= 0.246 USER MOD Set 3.2: A 42 GLN : amide:sc= 0.322 X(o=0.57,f=0.68) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.898 K(o=0.9,f=0) USER MOD Single : A 78 MET CE :methyl 178:sc= -0.0121 (180deg=-0.0176) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0789 X(o=-0.079,f=-0.079) USER MOD Single : A 86 HIS : no HD1:sc= -0.0368 X(o=-0.037,f=-0.18) USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.11) USER MOD Single : A 93 LYS NZ :NH3+ 159:sc= 1.14 (180deg=0.818) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 14 0.717 9.579 -17.036 1.00 0.00 N ATOM 175 CA LEU A 14 0.390 9.943 -18.417 1.00 0.00 C ATOM 176 C LEU A 14 -1.090 10.338 -18.565 1.00 0.00 C ATOM 177 O LEU A 14 -1.464 10.974 -19.554 1.00 0.00 O ATOM 178 CB LEU A 14 0.681 8.717 -19.297 1.00 0.00 C ATOM 179 CG LEU A 14 2.145 8.221 -19.233 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.143 6.692 -19.299 1.00 0.00 C ATOM 181 CD2 LEU A 14 2.990 8.829 -20.359 1.00 0.00 C ATOM 0 HA LEU A 14 0.989 10.804 -18.716 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.021 7.904 -18.996 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.437 8.960 -20.331 1.00 0.00 H new ATOM 0 HG LEU A 14 2.599 8.544 -18.296 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.168 6.325 -19.255 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.578 6.292 -18.457 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.681 6.369 -20.232 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.013 8.460 -20.286 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.570 8.544 -21.324 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.988 9.915 -20.269 1.00 0.00 H new ATOM 193 N LEU A 15 -1.931 9.937 -17.602 1.00 0.00 N ATOM 194 CA LEU A 15 -3.388 10.115 -17.637 1.00 0.00 C ATOM 195 C LEU A 15 -3.837 11.539 -17.273 1.00 0.00 C ATOM 196 O LEU A 15 -3.051 12.425 -16.935 1.00 0.00 O ATOM 197 CB LEU A 15 -4.093 9.095 -16.716 1.00 0.00 C ATOM 198 CG LEU A 15 -3.635 7.626 -16.826 1.00 0.00 C ATOM 199 CD1 LEU A 15 -4.491 6.759 -15.892 1.00 0.00 C ATOM 200 CD2 LEU A 15 -3.725 7.089 -18.261 1.00 0.00 C ATOM 0 H LEU A 15 -1.608 9.468 -16.756 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.682 9.940 -18.672 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.955 9.417 -15.684 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.163 9.134 -16.922 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.586 7.583 -16.533 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.171 5.720 -15.966 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.371 7.103 -14.865 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.539 6.838 -16.181 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.391 6.052 -18.283 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.757 7.145 -18.607 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.090 7.688 -18.914 1.00 0.00 H new ATOM 212 N SER A 16 -5.151 11.730 -17.310 1.00 0.00 N ATOM 213 CA SER A 16 -5.862 12.949 -16.958 1.00 0.00 C ATOM 214 C SER A 16 -6.193 13.019 -15.455 1.00 0.00 C ATOM 215 O SER A 16 -6.379 11.975 -14.820 1.00 0.00 O ATOM 216 CB SER A 16 -7.158 12.962 -17.771 1.00 0.00 C ATOM 217 OG SER A 16 -6.913 13.215 -19.147 1.00 0.00 O ATOM 0 H SER A 16 -5.786 10.989 -17.606 1.00 0.00 H new ATOM 0 HA SER A 16 -5.232 13.811 -17.180 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.665 12.003 -17.662 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.829 13.725 -17.375 1.00 0.00 H new ATOM 0 HG SER A 16 -7.762 13.214 -19.636 1.00 0.00 H new ATOM 223 N PRO A 17 -6.369 14.233 -14.895 1.00 0.00 N ATOM 224 CA PRO A 17 -6.723 14.446 -13.491 1.00 0.00 C ATOM 225 C PRO A 17 -8.091 13.856 -13.115 1.00 0.00 C ATOM 226 O PRO A 17 -8.347 13.620 -11.939 1.00 0.00 O ATOM 227 CB PRO A 17 -6.685 15.964 -13.291 1.00 0.00 C ATOM 228 CG PRO A 17 -7.016 16.513 -14.677 1.00 0.00 C ATOM 229 CD PRO A 17 -6.354 15.502 -15.608 1.00 0.00 C ATOM 0 HA PRO A 17 -6.023 13.928 -12.835 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.411 16.289 -12.546 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -5.706 16.300 -12.949 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.092 16.571 -14.843 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.616 17.517 -14.820 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.896 15.427 -16.551 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.334 15.802 -15.849 1.00 0.00 H new ATOM 237 N GLU A 18 -8.953 13.579 -14.101 1.00 0.00 N ATOM 238 CA GLU A 18 -10.259 12.945 -13.892 1.00 0.00 C ATOM 239 C GLU A 18 -10.152 11.412 -13.801 1.00 0.00 C ATOM 240 O GLU A 18 -10.893 10.790 -13.043 1.00 0.00 O ATOM 241 CB GLU A 18 -11.218 13.332 -15.033 1.00 0.00 C ATOM 242 CG GLU A 18 -11.333 14.851 -15.237 1.00 0.00 C ATOM 243 CD GLU A 18 -12.438 15.187 -16.249 1.00 0.00 C ATOM 244 OE1 GLU A 18 -12.157 15.208 -17.472 1.00 0.00 O ATOM 245 OE2 GLU A 18 -13.593 15.439 -15.832 1.00 0.00 O ATOM 0 H GLU A 18 -8.760 13.792 -15.080 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.648 13.306 -12.940 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.874 12.872 -15.960 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.207 12.924 -14.822 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.548 15.334 -14.284 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.380 15.248 -15.588 1.00 0.00 H new ATOM 252 N GLU A 19 -9.214 10.799 -14.531 1.00 0.00 N ATOM 253 CA GLU A 19 -9.027 9.342 -14.618 1.00 0.00 C ATOM 254 C GLU A 19 -8.514 8.754 -13.298 1.00 0.00 C ATOM 255 O GLU A 19 -9.041 7.771 -12.777 1.00 0.00 O ATOM 256 CB GLU A 19 -7.989 9.033 -15.709 1.00 0.00 C ATOM 257 CG GLU A 19 -8.528 9.092 -17.140 1.00 0.00 C ATOM 258 CD GLU A 19 -9.561 7.990 -17.427 1.00 0.00 C ATOM 259 OE1 GLU A 19 -9.166 6.811 -17.583 1.00 0.00 O ATOM 260 OE2 GLU A 19 -10.773 8.300 -17.521 1.00 0.00 O ATOM 0 H GLU A 19 -8.542 11.317 -15.096 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.995 8.897 -14.849 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.164 9.739 -15.617 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.579 8.039 -15.530 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.984 10.067 -17.313 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.699 8.999 -17.841 1.00 0.00 H new ATOM 267 N LEU A 20 -7.469 9.386 -12.765 1.00 0.00 N ATOM 268 CA LEU A 20 -6.747 8.985 -11.553 1.00 0.00 C ATOM 269 C LEU A 20 -7.664 9.081 -10.333 1.00 0.00 C ATOM 270 O LEU A 20 -7.742 8.163 -9.516 1.00 0.00 O ATOM 271 CB LEU A 20 -5.539 9.924 -11.381 1.00 0.00 C ATOM 272 CG LEU A 20 -4.595 9.977 -12.603 1.00 0.00 C ATOM 273 CD1 LEU A 20 -4.019 11.390 -12.717 1.00 0.00 C ATOM 274 CD2 LEU A 20 -3.501 8.907 -12.508 1.00 0.00 C ATOM 0 H LEU A 20 -7.083 10.232 -13.185 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.411 7.952 -11.644 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.903 10.930 -11.174 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.968 9.606 -10.509 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.154 9.754 -13.512 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.350 11.442 -13.576 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.832 12.105 -12.846 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.464 11.631 -11.810 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.853 8.970 -13.382 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.910 9.070 -11.606 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.961 7.919 -12.468 1.00 0.00 H new ATOM 286 N LYS A 21 -8.411 10.187 -10.255 1.00 0.00 N ATOM 287 CA LYS A 21 -9.484 10.368 -9.272 1.00 0.00 C ATOM 288 C LYS A 21 -10.607 9.329 -9.447 1.00 0.00 C ATOM 289 O LYS A 21 -11.005 8.707 -8.459 1.00 0.00 O ATOM 290 CB LYS A 21 -10.013 11.815 -9.347 1.00 0.00 C ATOM 291 CG LYS A 21 -9.248 12.823 -8.468 1.00 0.00 C ATOM 292 CD LYS A 21 -7.717 12.811 -8.630 1.00 0.00 C ATOM 293 CE LYS A 21 -7.046 14.029 -7.973 1.00 0.00 C ATOM 294 NZ LYS A 21 -7.167 14.024 -6.491 1.00 0.00 N ATOM 0 H LYS A 21 -8.287 10.987 -10.876 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.076 10.200 -8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.970 12.150 -10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.063 11.820 -9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.612 13.825 -8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.488 12.624 -7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.315 11.898 -8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.467 12.791 -9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.991 14.049 -8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.494 14.941 -8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.698 14.866 -6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.172 14.033 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.716 13.169 -6.109 1.00 0.00 H new ATOM 308 N ALA A 22 -11.075 9.064 -10.673 1.00 0.00 N ATOM 309 CA ALA A 22 -12.160 8.104 -10.930 1.00 0.00 C ATOM 310 C ALA A 22 -11.785 6.650 -10.586 1.00 0.00 C ATOM 311 O ALA A 22 -12.637 5.907 -10.095 1.00 0.00 O ATOM 312 CB ALA A 22 -12.622 8.233 -12.386 1.00 0.00 C ATOM 0 H ALA A 22 -10.713 9.509 -11.517 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.983 8.355 -10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.426 7.522 -12.577 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.983 9.246 -12.565 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.786 8.023 -13.053 1.00 0.00 H new ATOM 391 N GLU A 29 -12.804 2.099 -1.837 1.00 0.00 N ATOM 392 CA GLU A 29 -12.015 1.107 -1.102 1.00 0.00 C ATOM 393 C GLU A 29 -10.506 1.378 -1.213 1.00 0.00 C ATOM 394 O GLU A 29 -10.091 2.357 -1.824 1.00 0.00 O ATOM 395 CB GLU A 29 -12.345 -0.289 -1.644 1.00 0.00 C ATOM 396 CG GLU A 29 -12.925 -1.227 -0.574 1.00 0.00 C ATOM 397 CD GLU A 29 -14.344 -0.813 -0.151 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.308 -1.133 -0.885 1.00 0.00 O ATOM 399 OE2 GLU A 29 -14.498 -0.188 0.924 1.00 0.00 O ATOM 0 HA GLU A 29 -12.275 1.172 -0.045 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.059 -0.196 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.441 -0.735 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.945 -2.247 -0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.272 -1.228 0.299 1.00 0.00 H new ATOM 406 N TYR A 30 -9.683 0.488 -0.644 1.00 0.00 N ATOM 407 CA TYR A 30 -8.217 0.549 -0.658 1.00 0.00 C ATOM 408 C TYR A 30 -7.573 -0.740 -0.123 1.00 0.00 C ATOM 409 O TYR A 30 -8.141 -1.437 0.723 1.00 0.00 O ATOM 410 CB TYR A 30 -7.711 1.752 0.151 1.00 0.00 C ATOM 411 CG TYR A 30 -7.997 1.643 1.637 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.305 1.857 2.118 1.00 0.00 C ATOM 413 CD2 TYR A 30 -6.975 1.252 2.524 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.584 1.714 3.490 1.00 0.00 C ATOM 415 CE2 TYR A 30 -7.250 1.097 3.896 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.556 1.338 4.385 1.00 0.00 C ATOM 417 OH TYR A 30 -8.833 1.194 5.711 1.00 0.00 O ATOM 0 H TYR A 30 -10.035 -0.327 -0.141 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.922 0.663 -1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.636 1.854 0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.174 2.660 -0.235 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.094 2.131 1.433 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.978 1.071 2.151 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.583 1.891 3.859 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.466 0.795 4.574 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.019 0.931 6.189 1.00 0.00 H new ATOM 427 N ALA A 31 -6.364 -1.022 -0.600 1.00 0.00 N ATOM 428 CA ALA A 31 -5.534 -2.151 -0.199 1.00 0.00 C ATOM 429 C ALA A 31 -4.046 -1.838 -0.396 1.00 0.00 C ATOM 430 O ALA A 31 -3.672 -1.004 -1.222 1.00 0.00 O ATOM 431 CB ALA A 31 -5.965 -3.390 -0.999 1.00 0.00 C ATOM 0 H ALA A 31 -5.917 -0.442 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.673 -2.349 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.351 -4.243 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.012 -3.610 -0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.837 -3.198 -2.064 1.00 0.00 H new ATOM 437 N TRP A 32 -3.207 -2.547 0.356 1.00 0.00 N ATOM 438 CA TRP A 32 -1.751 -2.542 0.218 1.00 0.00 C ATOM 439 C TRP A 32 -1.248 -3.936 -0.174 1.00 0.00 C ATOM 440 O TRP A 32 -1.808 -4.954 0.240 1.00 0.00 O ATOM 441 CB TRP A 32 -1.105 -2.067 1.526 1.00 0.00 C ATOM 442 CG TRP A 32 -1.156 -0.592 1.770 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.255 0.134 2.080 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.057 0.367 1.694 1.00 0.00 C ATOM 445 NE1 TRP A 32 -1.914 1.465 2.200 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.563 1.663 2.013 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.317 0.266 1.380 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.261 2.797 2.052 1.00 0.00 C ATOM 449 CZ3 TRP A 32 2.145 1.401 1.399 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.620 2.654 1.744 1.00 0.00 C ATOM 0 H TRP A 32 -3.532 -3.161 1.103 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.468 -1.850 -0.575 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.596 -2.573 2.358 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.062 -2.383 1.531 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.249 -0.268 2.213 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.580 2.211 2.402 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.736 -0.695 1.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.145 3.763 2.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.191 1.308 1.147 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.269 3.517 1.773 1.00 0.00 H new ATOM 461 N TYR A 33 -0.163 -3.974 -0.945 1.00 0.00 N ATOM 462 CA TYR A 33 0.458 -5.197 -1.462 1.00 0.00 C ATOM 463 C TYR A 33 1.989 -5.145 -1.351 1.00 0.00 C ATOM 464 O TYR A 33 2.579 -4.066 -1.372 1.00 0.00 O ATOM 465 CB TYR A 33 0.051 -5.408 -2.932 1.00 0.00 C ATOM 466 CG TYR A 33 -1.406 -5.741 -3.199 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.394 -4.734 -3.159 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.768 -7.058 -3.552 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.739 -5.047 -3.432 1.00 0.00 C ATOM 470 CE2 TYR A 33 -3.109 -7.374 -3.839 1.00 0.00 C ATOM 471 CZ TYR A 33 -4.099 -6.369 -3.774 1.00 0.00 C ATOM 472 OH TYR A 33 -5.401 -6.667 -4.040 1.00 0.00 O ATOM 0 H TYR A 33 0.326 -3.128 -1.238 1.00 0.00 H new ATOM 0 HA TYR A 33 0.105 -6.032 -0.857 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.299 -4.503 -3.486 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.663 -6.211 -3.342 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.117 -3.718 -2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.012 -7.828 -3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.495 -4.277 -3.380 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.381 -8.384 -4.109 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.481 -7.619 -4.259 1.00 0.00 H new ATOM 482 N TYR A 34 2.635 -6.312 -1.296 1.00 0.00 N ATOM 483 CA TYR A 34 4.095 -6.489 -1.305 1.00 0.00 C ATOM 484 C TYR A 34 4.537 -7.498 -2.378 1.00 0.00 C ATOM 485 O TYR A 34 3.793 -8.430 -2.688 1.00 0.00 O ATOM 486 CB TYR A 34 4.577 -6.931 0.088 1.00 0.00 C ATOM 487 CG TYR A 34 4.133 -8.309 0.550 1.00 0.00 C ATOM 488 CD1 TYR A 34 2.910 -8.462 1.234 1.00 0.00 C ATOM 489 CD2 TYR A 34 4.958 -9.431 0.331 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.504 -9.730 1.689 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.560 -10.702 0.786 1.00 0.00 C ATOM 492 CZ TYR A 34 3.332 -10.855 1.467 1.00 0.00 C ATOM 493 OH TYR A 34 2.948 -12.088 1.904 1.00 0.00 O ATOM 0 H TYR A 34 2.136 -7.200 -1.242 1.00 0.00 H new ATOM 0 HA TYR A 34 4.551 -5.531 -1.554 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.667 -6.902 0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.232 -6.198 0.817 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.281 -7.602 1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.898 -9.315 -0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.563 -9.844 2.206 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.193 -11.560 0.615 1.00 0.00 H new ATOM 0 HH TYR A 34 3.633 -12.747 1.667 1.00 0.00 H new ATOM 503 N GLU A 35 5.739 -7.331 -2.938 1.00 0.00 N ATOM 504 CA GLU A 35 6.330 -8.319 -3.849 1.00 0.00 C ATOM 505 C GLU A 35 6.936 -9.477 -3.041 1.00 0.00 C ATOM 506 O GLU A 35 7.964 -9.314 -2.376 1.00 0.00 O ATOM 507 CB GLU A 35 7.383 -7.692 -4.785 1.00 0.00 C ATOM 508 CG GLU A 35 6.771 -6.683 -5.767 1.00 0.00 C ATOM 509 CD GLU A 35 7.707 -6.320 -6.936 1.00 0.00 C ATOM 510 OE1 GLU A 35 8.186 -7.236 -7.647 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.946 -5.111 -7.172 1.00 0.00 O ATOM 0 H GLU A 35 6.327 -6.514 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 35 5.533 -8.704 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.146 -7.194 -4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.883 -8.482 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.844 -7.094 -6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.509 -5.774 -5.226 1.00 0.00 H new ATOM 518 N GLY A 36 6.293 -10.647 -3.103 1.00 0.00 N ATOM 519 CA GLY A 36 6.794 -11.913 -2.551 1.00 0.00 C ATOM 520 C GLY A 36 7.503 -12.763 -3.609 1.00 0.00 C ATOM 521 O GLY A 36 7.953 -12.253 -4.639 1.00 0.00 O ATOM 0 H GLY A 36 5.382 -10.744 -3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.484 -11.704 -1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.963 -12.478 -2.130 1.00 0.00 H new ATOM 525 N ARG A 37 7.594 -14.077 -3.362 1.00 0.00 N ATOM 526 CA ARG A 37 8.288 -15.037 -4.240 1.00 0.00 C ATOM 527 C ARG A 37 7.680 -15.101 -5.655 1.00 0.00 C ATOM 528 O ARG A 37 8.415 -15.106 -6.644 1.00 0.00 O ATOM 529 CB ARG A 37 8.269 -16.427 -3.570 1.00 0.00 C ATOM 530 CG ARG A 37 9.186 -17.479 -4.223 1.00 0.00 C ATOM 531 CD ARG A 37 10.597 -17.540 -3.618 1.00 0.00 C ATOM 532 NE ARG A 37 11.356 -16.288 -3.805 1.00 0.00 N ATOM 533 CZ ARG A 37 12.298 -15.812 -2.998 1.00 0.00 C ATOM 534 NH1 ARG A 37 12.712 -16.463 -1.934 1.00 0.00 N ATOM 535 NH2 ARG A 37 12.852 -14.650 -3.249 1.00 0.00 N ATOM 0 H ARG A 37 7.183 -14.512 -2.536 1.00 0.00 H new ATOM 0 HA ARG A 37 9.315 -14.696 -4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.558 -16.314 -2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.246 -16.804 -3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.720 -18.460 -4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.268 -17.264 -5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.521 -17.757 -2.553 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.147 -18.364 -4.073 1.00 0.00 H new ATOM 0 HE ARG A 37 11.136 -15.735 -4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.307 -17.370 -1.701 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.438 -16.061 -1.341 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.560 -14.111 -4.064 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.575 -14.285 -2.629 1.00 0.00 H new ATOM 549 N ASN A 38 6.344 -15.142 -5.743 1.00 0.00 N ATOM 550 CA ASN A 38 5.596 -15.407 -6.984 1.00 0.00 C ATOM 551 C ASN A 38 4.869 -14.185 -7.596 1.00 0.00 C ATOM 552 O ASN A 38 4.378 -14.274 -8.725 1.00 0.00 O ATOM 553 CB ASN A 38 4.626 -16.577 -6.727 1.00 0.00 C ATOM 554 CG ASN A 38 5.334 -17.888 -6.376 1.00 0.00 C ATOM 555 OD1 ASN A 38 6.411 -18.203 -6.871 1.00 0.00 O ATOM 556 ND2 ASN A 38 4.753 -18.690 -5.502 1.00 0.00 N ATOM 0 H ASN A 38 5.738 -14.989 -4.937 1.00 0.00 H new ATOM 0 HA ASN A 38 6.330 -15.668 -7.746 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.951 -16.308 -5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.011 -16.731 -7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.200 -19.569 -5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.857 -18.431 -5.089 1.00 0.00 H new ATOM 563 N GLY A 39 4.798 -13.050 -6.887 1.00 0.00 N ATOM 564 CA GLY A 39 4.158 -11.803 -7.341 1.00 0.00 C ATOM 565 C GLY A 39 3.661 -10.922 -6.193 1.00 0.00 C ATOM 566 O GLY A 39 4.125 -11.052 -5.060 1.00 0.00 O ATOM 0 H GLY A 39 5.197 -12.970 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.869 -11.236 -7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.318 -12.050 -7.990 1.00 0.00 H new ATOM 570 N TRP A 40 2.724 -10.017 -6.493 1.00 0.00 N ATOM 571 CA TRP A 40 2.045 -9.176 -5.501 1.00 0.00 C ATOM 572 C TRP A 40 1.094 -9.979 -4.597 1.00 0.00 C ATOM 573 O TRP A 40 0.248 -10.728 -5.089 1.00 0.00 O ATOM 574 CB TRP A 40 1.267 -8.071 -6.226 1.00 0.00 C ATOM 575 CG TRP A 40 2.117 -7.126 -7.010 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.257 -7.121 -8.352 1.00 0.00 C ATOM 577 CD2 TRP A 40 2.977 -6.055 -6.512 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.142 -6.129 -8.721 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.604 -5.423 -7.628 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.292 -5.559 -5.231 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.482 -4.338 -7.479 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.174 -4.478 -5.073 1.00 0.00 C ATOM 583 CH2 TRP A 40 4.768 -3.860 -6.188 1.00 0.00 C ATOM 0 H TRP A 40 2.410 -9.845 -7.448 1.00 0.00 H new ATOM 0 HA TRP A 40 2.809 -8.744 -4.854 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.545 -8.534 -6.899 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.698 -7.503 -5.490 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.753 -7.791 -9.033 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.421 -5.940 -9.684 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.849 -6.017 -4.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.932 -3.876 -8.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.400 -4.116 -4.081 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.439 -3.024 -6.054 1.00 0.00 H new ATOM 594 N TRP A 41 1.186 -9.752 -3.282 1.00 0.00 N ATOM 595 CA TRP A 41 0.341 -10.370 -2.251 1.00 0.00 C ATOM 596 C TRP A 41 -0.171 -9.313 -1.260 1.00 0.00 C ATOM 597 O TRP A 41 0.557 -8.383 -0.915 1.00 0.00 O ATOM 598 CB TRP A 41 1.136 -11.480 -1.549 1.00 0.00 C ATOM 599 CG TRP A 41 1.584 -12.566 -2.479 1.00 0.00 C ATOM 600 CD1 TRP A 41 2.866 -12.890 -2.754 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.766 -13.390 -3.361 1.00 0.00 C ATOM 602 NE1 TRP A 41 2.898 -13.835 -3.762 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.631 -14.139 -4.212 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.623 -13.532 -3.569 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.146 -14.951 -5.247 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -1.122 -14.353 -4.593 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.244 -15.058 -5.439 1.00 0.00 C ATOM 0 H TRP A 41 1.875 -9.110 -2.891 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.539 -10.816 -2.715 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.009 -11.042 -1.065 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.521 -11.916 -0.762 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.733 -12.474 -2.262 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.753 -14.255 -4.127 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.313 -13.001 -2.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.830 -15.487 -5.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.189 -14.445 -4.733 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.636 -15.678 -6.232 1.00 0.00 H new ATOM 618 N GLN A 42 -1.439 -9.418 -0.856 1.00 0.00 N ATOM 619 CA GLN A 42 -2.134 -8.380 -0.085 1.00 0.00 C ATOM 620 C GLN A 42 -1.806 -8.468 1.420 1.00 0.00 C ATOM 621 O GLN A 42 -1.721 -9.560 1.988 1.00 0.00 O ATOM 622 CB GLN A 42 -3.649 -8.496 -0.342 1.00 0.00 C ATOM 623 CG GLN A 42 -4.413 -7.211 0.020 1.00 0.00 C ATOM 624 CD GLN A 42 -5.927 -7.391 -0.115 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.609 -7.864 0.785 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.523 -7.033 -1.236 1.00 0.00 N ATOM 0 H GLN A 42 -2.019 -10.233 -1.056 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.787 -7.401 -0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.818 -8.730 -1.393 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.049 -9.327 0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.172 -6.921 1.043 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.085 -6.398 -0.628 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.976 -6.636 -2.000 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.531 -7.153 -1.339 1.00 0.00 H new ATOM 635 N TYR A 43 -1.660 -7.312 2.075 1.00 0.00 N ATOM 636 CA TYR A 43 -1.528 -7.195 3.536 1.00 0.00 C ATOM 637 C TYR A 43 -2.837 -7.484 4.303 1.00 0.00 C ATOM 638 O TYR A 43 -3.939 -7.420 3.752 1.00 0.00 O ATOM 639 CB TYR A 43 -1.018 -5.787 3.881 1.00 0.00 C ATOM 640 CG TYR A 43 0.477 -5.619 3.730 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.336 -6.121 4.727 1.00 0.00 C ATOM 642 CD2 TYR A 43 1.010 -4.955 2.610 1.00 0.00 C ATOM 643 CE1 TYR A 43 2.727 -5.957 4.604 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.397 -4.771 2.488 1.00 0.00 C ATOM 645 CZ TYR A 43 3.256 -5.281 3.483 1.00 0.00 C ATOM 646 OH TYR A 43 4.597 -5.125 3.366 1.00 0.00 O ATOM 0 H TYR A 43 -1.629 -6.411 1.597 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.817 -7.958 3.855 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.521 -5.063 3.240 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.298 -5.552 4.908 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.926 -6.632 5.586 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.349 -4.585 1.840 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.388 -6.347 5.364 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.803 -4.243 1.638 1.00 0.00 H new ATOM 0 HH TYR A 43 4.974 -5.888 2.881 1.00 0.00 H new ATOM 656 N ASP A 44 -2.712 -7.749 5.608 1.00 0.00 N ATOM 657 CA ASP A 44 -3.848 -7.839 6.537 1.00 0.00 C ATOM 658 C ASP A 44 -4.338 -6.440 6.932 1.00 0.00 C ATOM 659 O ASP A 44 -3.543 -5.510 7.056 1.00 0.00 O ATOM 660 CB ASP A 44 -3.445 -8.620 7.796 1.00 0.00 C ATOM 661 CG ASP A 44 -3.103 -10.087 7.492 1.00 0.00 C ATOM 662 OD1 ASP A 44 -4.045 -10.888 7.285 1.00 0.00 O ATOM 663 OD2 ASP A 44 -1.897 -10.434 7.479 1.00 0.00 O ATOM 0 H ASP A 44 -1.810 -7.909 6.056 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.658 -8.365 6.032 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.584 -8.138 8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.259 -8.582 8.520 1.00 0.00 H new ATOM 668 N GLU A 45 -5.640 -6.303 7.189 1.00 0.00 N ATOM 669 CA GLU A 45 -6.281 -5.025 7.542 1.00 0.00 C ATOM 670 C GLU A 45 -5.787 -4.423 8.875 1.00 0.00 C ATOM 671 O GLU A 45 -5.887 -3.213 9.085 1.00 0.00 O ATOM 672 CB GLU A 45 -7.814 -5.172 7.522 1.00 0.00 C ATOM 673 CG GLU A 45 -8.360 -6.207 8.516 1.00 0.00 C ATOM 674 CD GLU A 45 -9.897 -6.246 8.484 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.468 -7.033 7.693 1.00 0.00 O ATOM 676 OE2 GLU A 45 -10.541 -5.499 9.258 1.00 0.00 O ATOM 0 H GLU A 45 -6.293 -7.086 7.159 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.981 -4.308 6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.264 -4.203 7.740 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.128 -5.450 6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.963 -7.193 8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.020 -5.964 9.523 1.00 0.00 H new ATOM 683 N ARG A 46 -5.189 -5.248 9.745 1.00 0.00 N ATOM 684 CA ARG A 46 -4.480 -4.813 10.962 1.00 0.00 C ATOM 685 C ARG A 46 -3.258 -3.947 10.623 1.00 0.00 C ATOM 686 O ARG A 46 -2.962 -2.964 11.307 1.00 0.00 O ATOM 687 CB ARG A 46 -3.982 -6.040 11.748 1.00 0.00 C ATOM 688 CG ARG A 46 -5.066 -6.785 12.530 1.00 0.00 C ATOM 689 CD ARG A 46 -6.030 -7.635 11.691 1.00 0.00 C ATOM 690 NE ARG A 46 -6.933 -8.416 12.555 1.00 0.00 N ATOM 691 CZ ARG A 46 -7.793 -9.350 12.164 1.00 0.00 C ATOM 692 NH1 ARG A 46 -7.921 -9.707 10.902 1.00 0.00 N ATOM 693 NH2 ARG A 46 -8.549 -9.952 13.057 1.00 0.00 N ATOM 0 H ARG A 46 -5.183 -6.261 9.622 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.185 -4.230 11.554 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.514 -6.735 11.051 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.208 -5.718 12.444 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.581 -7.433 13.259 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.649 -6.055 13.091 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.615 -6.989 11.037 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.462 -8.308 11.049 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.894 -8.219 13.555 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.348 -9.262 10.185 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.593 -10.429 10.642 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.473 -9.701 14.043 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.211 -10.670 12.764 1.00 0.00 H new ATOM 707 N THR A 47 -2.557 -4.356 9.566 1.00 0.00 N ATOM 708 CA THR A 47 -1.273 -3.820 9.090 1.00 0.00 C ATOM 709 C THR A 47 -1.458 -2.728 8.050 1.00 0.00 C ATOM 710 O THR A 47 -0.919 -1.641 8.221 1.00 0.00 O ATOM 711 CB THR A 47 -0.410 -4.971 8.559 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.141 -5.826 9.647 1.00 0.00 O ATOM 713 CG2 THR A 47 0.911 -4.482 7.969 1.00 0.00 C ATOM 0 H THR A 47 -2.889 -5.120 8.978 1.00 0.00 H new ATOM 0 HA THR A 47 -0.760 -3.350 9.929 1.00 0.00 H new ATOM 0 HB THR A 47 -0.949 -5.479 7.759 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.410 -6.578 9.344 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.486 -5.335 7.607 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.710 -3.802 7.141 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.481 -3.960 8.737 1.00 0.00 H new ATOM 721 N SER A 48 -2.230 -2.966 6.992 1.00 0.00 N ATOM 722 CA SER A 48 -2.355 -2.027 5.864 1.00 0.00 C ATOM 723 C SER A 48 -2.920 -0.663 6.271 1.00 0.00 C ATOM 724 O SER A 48 -2.514 0.365 5.721 1.00 0.00 O ATOM 725 CB SER A 48 -3.208 -2.636 4.748 1.00 0.00 C ATOM 726 OG SER A 48 -4.527 -2.921 5.187 1.00 0.00 O ATOM 0 H SER A 48 -2.789 -3.813 6.886 1.00 0.00 H new ATOM 0 HA SER A 48 -1.343 -1.853 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.247 -1.948 3.904 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.738 -3.552 4.391 1.00 0.00 H new ATOM 0 HG SER A 48 -5.042 -3.307 4.448 1.00 0.00 H new ATOM 732 N ARG A 49 -3.770 -0.624 7.307 1.00 0.00 N ATOM 733 CA ARG A 49 -4.278 0.631 7.861 1.00 0.00 C ATOM 734 C ARG A 49 -3.165 1.512 8.434 1.00 0.00 C ATOM 735 O ARG A 49 -3.287 2.730 8.382 1.00 0.00 O ATOM 736 CB ARG A 49 -5.415 0.366 8.864 1.00 0.00 C ATOM 737 CG ARG A 49 -4.982 -0.147 10.252 1.00 0.00 C ATOM 738 CD ARG A 49 -4.480 0.894 11.271 1.00 0.00 C ATOM 739 NE ARG A 49 -5.333 2.096 11.355 1.00 0.00 N ATOM 740 CZ ARG A 49 -4.912 3.344 11.547 1.00 0.00 C ATOM 741 NH1 ARG A 49 -3.668 3.643 11.851 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.753 4.349 11.434 1.00 0.00 N ATOM 0 H ARG A 49 -4.120 -1.458 7.779 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.704 1.208 7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.977 1.290 8.999 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.098 -0.362 8.426 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.828 -0.671 10.696 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.192 -0.884 10.107 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.423 0.429 12.255 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.468 1.195 11.002 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.339 1.957 11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.975 2.901 11.950 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.396 4.617 11.988 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.730 4.173 11.199 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.428 5.305 11.582 1.00 0.00 H new ATOM 756 N GLU A 50 -2.067 0.933 8.938 1.00 0.00 N ATOM 757 CA GLU A 50 -0.951 1.709 9.505 1.00 0.00 C ATOM 758 C GLU A 50 -0.186 2.438 8.391 1.00 0.00 C ATOM 759 O GLU A 50 0.268 3.569 8.560 1.00 0.00 O ATOM 760 CB GLU A 50 0.019 0.795 10.278 1.00 0.00 C ATOM 761 CG GLU A 50 -0.608 0.015 11.444 1.00 0.00 C ATOM 762 CD GLU A 50 -0.842 0.900 12.679 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.730 1.783 12.634 1.00 0.00 O ATOM 764 OE2 GLU A 50 -0.146 0.712 13.705 1.00 0.00 O ATOM 0 H GLU A 50 -1.926 -0.077 8.965 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.371 2.441 10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.457 0.083 9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.836 1.404 10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.557 -0.414 11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.043 -0.817 11.714 1.00 0.00 H new ATOM 771 N LEU A 51 -0.100 1.791 7.226 1.00 0.00 N ATOM 772 CA LEU A 51 0.577 2.272 6.025 1.00 0.00 C ATOM 773 C LEU A 51 -0.259 3.361 5.336 1.00 0.00 C ATOM 774 O LEU A 51 0.265 4.410 4.961 1.00 0.00 O ATOM 775 CB LEU A 51 0.824 1.063 5.097 1.00 0.00 C ATOM 776 CG LEU A 51 1.384 -0.210 5.773 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.528 -1.332 4.739 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.718 0.062 6.472 1.00 0.00 C ATOM 0 H LEU A 51 -0.522 0.872 7.091 1.00 0.00 H new ATOM 0 HA LEU A 51 1.534 2.727 6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.117 0.807 4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.517 1.368 4.313 1.00 0.00 H new ATOM 0 HG LEU A 51 0.677 -0.525 6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.923 -2.225 5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.553 -1.555 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.211 -1.015 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.080 -0.856 6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.447 0.412 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.578 0.824 7.238 1.00 0.00 H new ATOM 790 N GLU A 52 -1.573 3.132 5.242 1.00 0.00 N ATOM 791 CA GLU A 52 -2.565 4.071 4.715 1.00 0.00 C ATOM 792 C GLU A 52 -2.692 5.358 5.557 1.00 0.00 C ATOM 793 O GLU A 52 -2.974 6.431 5.024 1.00 0.00 O ATOM 794 CB GLU A 52 -3.922 3.342 4.644 1.00 0.00 C ATOM 795 CG GLU A 52 -5.012 4.081 3.852 1.00 0.00 C ATOM 796 CD GLU A 52 -4.766 4.138 2.337 1.00 0.00 C ATOM 797 OE1 GLU A 52 -3.815 3.506 1.822 1.00 0.00 O ATOM 798 OE2 GLU A 52 -5.544 4.823 1.635 1.00 0.00 O ATOM 0 H GLU A 52 -1.990 2.251 5.544 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.238 4.393 3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.768 2.361 4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.281 3.174 5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.970 3.594 4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.094 5.099 4.233 1.00 0.00 H new ATOM 805 N ASP A 53 -2.462 5.278 6.872 1.00 0.00 N ATOM 806 CA ASP A 53 -2.595 6.409 7.800 1.00 0.00 C ATOM 807 C ASP A 53 -1.356 7.308 7.772 1.00 0.00 C ATOM 808 O ASP A 53 -1.447 8.520 7.916 1.00 0.00 O ATOM 809 CB ASP A 53 -2.800 5.842 9.211 1.00 0.00 C ATOM 810 CG ASP A 53 -3.368 6.812 10.259 1.00 0.00 C ATOM 811 OD1 ASP A 53 -3.976 7.846 9.901 1.00 0.00 O ATOM 812 OD2 ASP A 53 -3.272 6.465 11.461 1.00 0.00 O ATOM 0 H ASP A 53 -2.174 4.413 7.330 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.445 7.022 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.469 4.984 9.141 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.841 5.470 9.573 1.00 0.00 H new ATOM 817 N ALA A 54 -0.190 6.706 7.556 1.00 0.00 N ATOM 818 CA ALA A 54 1.116 7.360 7.620 1.00 0.00 C ATOM 819 C ALA A 54 1.292 8.514 6.615 1.00 0.00 C ATOM 820 O ALA A 54 1.628 9.628 7.026 1.00 0.00 O ATOM 821 CB ALA A 54 2.174 6.269 7.465 1.00 0.00 C ATOM 0 H ALA A 54 -0.125 5.715 7.323 1.00 0.00 H new ATOM 0 HA ALA A 54 1.220 7.858 8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.167 6.717 7.507 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.069 5.543 8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.042 5.768 6.506 1.00 0.00 H new ATOM 827 N PHE A 55 1.001 8.294 5.325 1.00 0.00 N ATOM 828 CA PHE A 55 1.059 9.368 4.321 1.00 0.00 C ATOM 829 C PHE A 55 -0.041 10.420 4.528 1.00 0.00 C ATOM 830 O PHE A 55 0.087 11.563 4.090 1.00 0.00 O ATOM 831 CB PHE A 55 1.026 8.783 2.901 1.00 0.00 C ATOM 832 CG PHE A 55 -0.331 8.349 2.382 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.184 9.299 1.787 1.00 0.00 C ATOM 834 CD2 PHE A 55 -0.727 7.000 2.448 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.421 8.904 1.247 1.00 0.00 C ATOM 836 CE2 PHE A 55 -1.955 6.605 1.890 1.00 0.00 C ATOM 837 CZ PHE A 55 -2.804 7.553 1.293 1.00 0.00 C ATOM 0 H PHE A 55 0.724 7.386 4.952 1.00 0.00 H new ATOM 0 HA PHE A 55 2.008 9.888 4.452 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.432 9.527 2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.695 7.923 2.870 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.886 10.336 1.745 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.089 6.271 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.075 9.637 0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.248 5.566 1.920 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.749 7.244 0.871 1.00 0.00 H new ATOM 847 N SER A 56 -1.109 10.036 5.221 1.00 0.00 N ATOM 848 CA SER A 56 -2.220 10.915 5.600 1.00 0.00 C ATOM 849 C SER A 56 -1.891 11.780 6.838 1.00 0.00 C ATOM 850 O SER A 56 -2.358 12.916 6.954 1.00 0.00 O ATOM 851 CB SER A 56 -3.472 10.054 5.829 1.00 0.00 C ATOM 852 OG SER A 56 -4.660 10.825 5.712 1.00 0.00 O ATOM 0 H SER A 56 -1.233 9.077 5.546 1.00 0.00 H new ATOM 0 HA SER A 56 -2.403 11.619 4.788 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.492 9.239 5.105 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.427 9.600 6.819 1.00 0.00 H new ATOM 0 HG SER A 56 -5.439 10.250 5.861 1.00 0.00 H new ATOM 858 N LYS A 57 -1.022 11.291 7.736 1.00 0.00 N ATOM 859 CA LYS A 57 -0.505 12.029 8.897 1.00 0.00 C ATOM 860 C LYS A 57 0.576 13.045 8.498 1.00 0.00 C ATOM 861 O LYS A 57 0.594 14.163 9.022 1.00 0.00 O ATOM 862 CB LYS A 57 0.082 11.027 9.905 1.00 0.00 C ATOM 863 CG LYS A 57 -0.979 10.246 10.699 1.00 0.00 C ATOM 864 CD LYS A 57 -0.436 8.887 11.165 1.00 0.00 C ATOM 865 CE LYS A 57 0.887 8.976 11.946 1.00 0.00 C ATOM 866 NZ LYS A 57 0.656 9.137 13.408 1.00 0.00 N ATOM 0 H LYS A 57 -0.649 10.344 7.672 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.331 12.584 9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.716 10.319 9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.723 11.564 10.605 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.293 10.831 11.564 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.862 10.094 10.079 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.185 8.404 11.793 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.290 8.248 10.294 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.476 8.076 11.768 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.472 9.818 11.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.571 9.193 13.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.116 10.009 13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.120 8.321 13.767 1.00 0.00 H new ATOM 880 N GLY A 58 1.473 12.656 7.581 1.00 0.00 N ATOM 881 CA GLY A 58 2.559 13.493 7.061 1.00 0.00 C ATOM 882 C GLY A 58 3.951 12.882 7.207 1.00 0.00 C ATOM 883 O GLY A 58 4.908 13.444 6.679 1.00 0.00 O ATOM 0 H GLY A 58 1.461 11.723 7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.373 13.695 6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.541 14.453 7.577 1.00 0.00 H new ATOM 887 N LYS A 59 4.090 11.747 7.905 1.00 0.00 N ATOM 888 CA LYS A 59 5.354 11.000 7.942 1.00 0.00 C ATOM 889 C LYS A 59 5.707 10.383 6.571 1.00 0.00 C ATOM 890 O LYS A 59 4.832 10.024 5.782 1.00 0.00 O ATOM 891 CB LYS A 59 5.344 9.952 9.076 1.00 0.00 C ATOM 892 CG LYS A 59 4.087 9.076 9.089 1.00 0.00 C ATOM 893 CD LYS A 59 4.236 7.806 9.936 1.00 0.00 C ATOM 894 CE LYS A 59 4.662 8.061 11.390 1.00 0.00 C ATOM 895 NZ LYS A 59 4.864 6.786 12.131 1.00 0.00 N ATOM 0 H LYS A 59 3.340 11.325 8.453 1.00 0.00 H new ATOM 0 HA LYS A 59 6.150 11.710 8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.221 9.313 8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.430 10.465 10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.250 9.661 9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.840 8.794 8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.287 7.271 9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.970 7.153 9.464 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.585 8.641 11.403 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.902 8.659 11.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.252 6.773 12.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.623 5.984 11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.859 6.709 12.425 1.00 0.00 H new ATOM 909 N LYS A 60 7.007 10.218 6.311 1.00 0.00 N ATOM 910 CA LYS A 60 7.552 9.649 5.059 1.00 0.00 C ATOM 911 C LYS A 60 7.900 8.151 5.160 1.00 0.00 C ATOM 912 O LYS A 60 8.328 7.535 4.185 1.00 0.00 O ATOM 913 CB LYS A 60 8.729 10.521 4.575 1.00 0.00 C ATOM 914 CG LYS A 60 10.060 10.329 5.318 1.00 0.00 C ATOM 915 CD LYS A 60 11.112 11.330 4.820 1.00 0.00 C ATOM 916 CE LYS A 60 12.439 11.116 5.562 1.00 0.00 C ATOM 917 NZ LYS A 60 13.482 12.077 5.112 1.00 0.00 N ATOM 0 H LYS A 60 7.734 10.481 6.977 1.00 0.00 H new ATOM 0 HA LYS A 60 6.768 9.677 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.894 10.319 3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.437 11.568 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.906 10.459 6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.421 9.311 5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.263 11.207 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.759 12.349 4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.279 11.229 6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.788 10.097 5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.364 11.902 5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.653 11.952 4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.159 13.049 5.292 1.00 0.00 H new ATOM 931 N ASN A 61 7.717 7.562 6.345 1.00 0.00 N ATOM 932 CA ASN A 61 7.950 6.149 6.648 1.00 0.00 C ATOM 933 C ASN A 61 7.342 5.779 8.009 1.00 0.00 C ATOM 934 O ASN A 61 7.253 6.628 8.901 1.00 0.00 O ATOM 935 CB ASN A 61 9.449 5.780 6.608 1.00 0.00 C ATOM 936 CG ASN A 61 10.259 6.475 7.696 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.588 7.733 7.472 1.00 0.00 O flip ATOM 938 ND2 ASN A 61 10.578 5.909 8.732 1.00 0.00 N flip ATOM 0 H ASN A 61 7.387 8.083 7.157 1.00 0.00 H new ATOM 0 HA ASN A 61 7.454 5.570 5.869 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.555 4.701 6.716 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.857 6.045 5.633 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.313 4.936 8.884 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.109 6.410 9.444 1.00 0.00 H new ATOM 945 N THR A 62 6.934 4.520 8.159 1.00 0.00 N ATOM 946 CA THR A 62 6.251 3.972 9.345 1.00 0.00 C ATOM 947 C THR A 62 6.732 2.551 9.648 1.00 0.00 C ATOM 948 O THR A 62 7.604 2.040 8.954 1.00 0.00 O ATOM 949 CB THR A 62 4.733 4.125 9.204 1.00 0.00 C ATOM 950 OG1 THR A 62 4.177 4.037 10.496 1.00 0.00 O ATOM 951 CG2 THR A 62 4.078 3.097 8.279 1.00 0.00 C ATOM 0 H THR A 62 7.073 3.819 7.431 1.00 0.00 H new ATOM 0 HA THR A 62 6.521 4.550 10.229 1.00 0.00 H new ATOM 0 HB THR A 62 4.538 5.090 8.736 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.203 4.133 10.440 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.004 3.278 8.237 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.501 3.186 7.278 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.262 2.093 8.662 1.00 0.00 H new ATOM 959 N GLU A 63 6.207 1.919 10.693 1.00 0.00 N ATOM 960 CA GLU A 63 6.664 0.632 11.222 1.00 0.00 C ATOM 961 C GLU A 63 5.506 -0.354 11.404 1.00 0.00 C ATOM 962 O GLU A 63 4.381 0.030 11.737 1.00 0.00 O ATOM 963 CB GLU A 63 7.366 0.866 12.566 1.00 0.00 C ATOM 964 CG GLU A 63 8.747 1.488 12.359 1.00 0.00 C ATOM 965 CD GLU A 63 9.445 1.769 13.693 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.081 2.754 14.380 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.381 1.020 14.052 1.00 0.00 O ATOM 0 H GLU A 63 5.420 2.302 11.217 1.00 0.00 H new ATOM 0 HA GLU A 63 7.356 0.193 10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.757 1.521 13.190 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.465 -0.080 13.099 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.363 0.817 11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.648 2.417 11.797 1.00 0.00 H new ATOM 974 N MET A 64 5.804 -1.640 11.206 1.00 0.00 N ATOM 975 CA MET A 64 4.840 -2.747 11.248 1.00 0.00 C ATOM 976 C MET A 64 5.518 -4.088 11.563 1.00 0.00 C ATOM 977 O MET A 64 6.703 -4.288 11.284 1.00 0.00 O ATOM 978 CB MET A 64 4.071 -2.830 9.915 1.00 0.00 C ATOM 979 CG MET A 64 5.035 -2.944 8.732 1.00 0.00 C ATOM 980 SD MET A 64 4.342 -3.613 7.207 1.00 0.00 S ATOM 981 CE MET A 64 5.901 -4.326 6.649 1.00 0.00 C ATOM 0 H MET A 64 6.754 -1.952 11.005 1.00 0.00 H new ATOM 0 HA MET A 64 4.137 -2.543 12.056 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.404 -3.692 9.929 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.446 -1.945 9.796 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.438 -1.953 8.521 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.874 -3.572 9.032 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.820 -4.599 5.597 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.701 -3.596 6.775 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.126 -5.215 7.238 1.00 0.00 H new ATOM 991 N LEU A 65 4.739 -5.018 12.118 1.00 0.00 N ATOM 992 CA LEU A 65 5.142 -6.378 12.462 1.00 0.00 C ATOM 993 C LEU A 65 4.548 -7.371 11.457 1.00 0.00 C ATOM 994 O LEU A 65 3.408 -7.225 11.011 1.00 0.00 O ATOM 995 CB LEU A 65 4.674 -6.688 13.904 1.00 0.00 C ATOM 996 CG LEU A 65 5.697 -7.383 14.819 1.00 0.00 C ATOM 997 CD1 LEU A 65 6.142 -8.766 14.334 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.904 -6.473 15.056 1.00 0.00 C ATOM 0 H LEU A 65 3.763 -4.832 12.350 1.00 0.00 H new ATOM 0 HA LEU A 65 6.227 -6.472 12.417 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.375 -5.752 14.375 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.784 -7.315 13.847 1.00 0.00 H new ATOM 0 HG LEU A 65 5.180 -7.562 15.762 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.863 -9.184 15.037 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.276 -9.424 14.268 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.605 -8.675 13.351 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.619 -6.979 15.705 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.379 -6.243 14.102 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.575 -5.548 15.530 1.00 0.00 H new ATOM 1010 N ILE A 66 5.332 -8.391 11.125 1.00 0.00 N ATOM 1011 CA ILE A 66 4.965 -9.467 10.179 1.00 0.00 C ATOM 1012 C ILE A 66 4.984 -10.855 10.852 1.00 0.00 C ATOM 1013 O ILE A 66 4.797 -10.964 12.064 1.00 0.00 O ATOM 1014 CB ILE A 66 5.800 -9.356 8.888 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.292 -9.662 9.140 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.582 -7.977 8.235 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.793 -10.844 8.301 1.00 0.00 C ATOM 0 H ILE A 66 6.269 -8.506 11.511 1.00 0.00 H new ATOM 0 HA ILE A 66 3.928 -9.337 9.871 1.00 0.00 H new ATOM 0 HB ILE A 66 5.455 -10.115 8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.886 -8.778 8.909 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.442 -9.880 10.197 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.176 -7.908 7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.527 -7.853 7.991 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.889 -7.194 8.928 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.847 -11.020 8.514 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.219 -11.736 8.550 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.669 -10.617 7.242 1.00 0.00 H new ATOM 1029 N ALA A 67 5.224 -11.926 10.089 1.00 0.00 N ATOM 1030 CA ALA A 67 5.312 -13.310 10.565 1.00 0.00 C ATOM 1031 C ALA A 67 6.397 -13.579 11.637 1.00 0.00 C ATOM 1032 O ALA A 67 6.344 -14.613 12.309 1.00 0.00 O ATOM 1033 CB ALA A 67 5.572 -14.181 9.330 1.00 0.00 C ATOM 0 H ALA A 67 5.368 -11.849 9.082 1.00 0.00 H new ATOM 0 HA ALA A 67 4.375 -13.544 11.071 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.646 -15.226 9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.751 -14.064 8.623 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.504 -13.873 8.857 1.00 0.00 H new ATOM 1039 N GLY A 68 7.368 -12.670 11.812 1.00 0.00 N ATOM 1040 CA GLY A 68 8.442 -12.801 12.809 1.00 0.00 C ATOM 1041 C GLY A 68 9.464 -11.660 12.873 1.00 0.00 C ATOM 1042 O GLY A 68 10.530 -11.852 13.457 1.00 0.00 O ATOM 0 H GLY A 68 7.431 -11.815 11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.983 -12.902 13.792 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.979 -13.728 12.611 1.00 0.00 H new ATOM 1046 N PHE A 69 9.170 -10.494 12.278 1.00 0.00 N ATOM 1047 CA PHE A 69 10.126 -9.395 12.067 1.00 0.00 C ATOM 1048 C PHE A 69 9.446 -8.015 12.058 1.00 0.00 C ATOM 1049 O PHE A 69 8.283 -7.887 11.668 1.00 0.00 O ATOM 1050 CB PHE A 69 10.864 -9.608 10.729 1.00 0.00 C ATOM 1051 CG PHE A 69 11.714 -10.861 10.635 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.988 -10.884 11.234 1.00 0.00 C ATOM 1053 CD2 PHE A 69 11.248 -12.002 9.950 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.799 -12.028 11.130 1.00 0.00 C ATOM 1055 CE2 PHE A 69 12.059 -13.145 9.848 1.00 0.00 C ATOM 1056 CZ PHE A 69 13.336 -13.158 10.434 1.00 0.00 C ATOM 0 H PHE A 69 8.238 -10.284 11.921 1.00 0.00 H new ATOM 0 HA PHE A 69 10.827 -9.409 12.901 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.125 -9.632 9.928 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.503 -8.744 10.547 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.344 -10.020 11.775 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.265 -11.997 9.503 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.778 -12.038 11.585 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.700 -14.015 9.318 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.961 -14.035 10.350 1.00 0.00 H new ATOM 1066 N LEU A 70 10.198 -6.978 12.445 1.00 0.00 N ATOM 1067 CA LEU A 70 9.812 -5.571 12.291 1.00 0.00 C ATOM 1068 C LEU A 70 10.347 -5.086 10.940 1.00 0.00 C ATOM 1069 O LEU A 70 11.549 -5.170 10.675 1.00 0.00 O ATOM 1070 CB LEU A 70 10.388 -4.747 13.464 1.00 0.00 C ATOM 1071 CG LEU A 70 9.828 -3.324 13.717 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.867 -2.377 12.510 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.401 -3.367 14.276 1.00 0.00 C ATOM 0 H LEU A 70 11.111 -7.096 12.883 1.00 0.00 H new ATOM 0 HA LEU A 70 8.729 -5.451 12.310 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.245 -5.326 14.377 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.463 -4.657 13.309 1.00 0.00 H new ATOM 0 HG LEU A 70 10.514 -2.909 14.455 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.453 -1.409 12.793 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.898 -2.248 12.182 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.277 -2.800 11.697 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.044 -2.350 14.440 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.747 -3.871 13.565 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.397 -3.910 15.221 1.00 0.00 H new ATOM 1085 N TYR A 71 9.463 -4.540 10.113 1.00 0.00 N ATOM 1086 CA TYR A 71 9.820 -3.868 8.860 1.00 0.00 C ATOM 1087 C TYR A 71 9.400 -2.389 8.856 1.00 0.00 C ATOM 1088 O TYR A 71 8.281 -2.034 9.235 1.00 0.00 O ATOM 1089 CB TYR A 71 9.236 -4.616 7.660 1.00 0.00 C ATOM 1090 CG TYR A 71 9.751 -6.019 7.392 1.00 0.00 C ATOM 1091 CD1 TYR A 71 11.110 -6.365 7.554 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.843 -7.002 6.953 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.540 -7.684 7.325 1.00 0.00 C ATOM 1094 CE2 TYR A 71 9.259 -8.322 6.755 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.614 -8.675 6.939 1.00 0.00 C ATOM 1096 OH TYR A 71 11.029 -9.955 6.754 1.00 0.00 O ATOM 0 H TYR A 71 8.459 -4.550 10.294 1.00 0.00 H new ATOM 0 HA TYR A 71 10.907 -3.886 8.778 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.156 -4.674 7.792 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.416 -4.015 6.769 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.823 -5.612 7.856 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.814 -6.733 6.767 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.583 -7.939 7.445 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.542 -9.074 6.460 1.00 0.00 H new ATOM 0 HH TYR A 71 10.266 -10.511 6.491 1.00 0.00 H new ATOM 1106 N VAL A 72 10.326 -1.538 8.416 1.00 0.00 N ATOM 1107 CA VAL A 72 10.141 -0.102 8.207 1.00 0.00 C ATOM 1108 C VAL A 72 9.570 0.109 6.802 1.00 0.00 C ATOM 1109 O VAL A 72 10.260 -0.100 5.804 1.00 0.00 O ATOM 1110 CB VAL A 72 11.464 0.681 8.382 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.250 2.195 8.221 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.106 0.414 9.755 1.00 0.00 C ATOM 0 H VAL A 72 11.271 -1.845 8.184 1.00 0.00 H new ATOM 0 HA VAL A 72 9.450 0.281 8.958 1.00 0.00 H new ATOM 0 HB VAL A 72 12.134 0.327 7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.200 2.713 8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.856 2.403 7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.542 2.544 8.972 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.033 0.981 9.840 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.419 0.721 10.544 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.321 -0.650 9.855 1.00 0.00 H new ATOM 1122 N ALA A 73 8.302 0.510 6.745 1.00 0.00 N ATOM 1123 CA ALA A 73 7.576 0.852 5.531 1.00 0.00 C ATOM 1124 C ALA A 73 7.911 2.274 5.070 1.00 0.00 C ATOM 1125 O ALA A 73 7.371 3.251 5.586 1.00 0.00 O ATOM 1126 CB ALA A 73 6.080 0.669 5.804 1.00 0.00 C ATOM 0 H ALA A 73 7.730 0.609 7.583 1.00 0.00 H new ATOM 0 HA ALA A 73 7.873 0.194 4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.513 0.920 4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.884 -0.367 6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.776 1.324 6.620 1.00 0.00 H new ATOM 1132 N ASP A 74 8.797 2.389 4.086 1.00 0.00 N ATOM 1133 CA ASP A 74 9.183 3.642 3.442 1.00 0.00 C ATOM 1134 C ASP A 74 8.223 3.986 2.296 1.00 0.00 C ATOM 1135 O ASP A 74 8.151 3.267 1.295 1.00 0.00 O ATOM 1136 CB ASP A 74 10.628 3.519 2.944 1.00 0.00 C ATOM 1137 CG ASP A 74 11.085 4.800 2.238 1.00 0.00 C ATOM 1138 OD1 ASP A 74 11.254 5.835 2.921 1.00 0.00 O ATOM 1139 OD2 ASP A 74 11.241 4.767 0.996 1.00 0.00 O ATOM 0 H ASP A 74 9.285 1.581 3.700 1.00 0.00 H new ATOM 0 HA ASP A 74 9.123 4.457 4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.288 3.310 3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.708 2.675 2.259 1.00 0.00 H new ATOM 1144 N LEU A 75 7.506 5.108 2.446 1.00 0.00 N ATOM 1145 CA LEU A 75 6.573 5.647 1.456 1.00 0.00 C ATOM 1146 C LEU A 75 7.290 6.237 0.231 1.00 0.00 C ATOM 1147 O LEU A 75 6.762 6.150 -0.875 1.00 0.00 O ATOM 1148 CB LEU A 75 5.707 6.724 2.145 1.00 0.00 C ATOM 1149 CG LEU A 75 4.556 6.163 3.007 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.129 7.158 4.097 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.375 5.850 2.089 1.00 0.00 C ATOM 0 H LEU A 75 7.564 5.681 3.288 1.00 0.00 H new ATOM 0 HA LEU A 75 5.952 4.832 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.349 7.340 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.287 7.378 1.381 1.00 0.00 H new ATOM 0 HG LEU A 75 4.898 5.259 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.317 6.729 4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.976 7.368 4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.790 8.084 3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.550 5.452 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.054 6.762 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.678 5.113 1.345 1.00 0.00 H new ATOM 1163 N GLU A 76 8.486 6.801 0.414 1.00 0.00 N ATOM 1164 CA GLU A 76 9.216 7.557 -0.615 1.00 0.00 C ATOM 1165 C GLU A 76 9.604 6.694 -1.829 1.00 0.00 C ATOM 1166 O GLU A 76 9.358 7.066 -2.978 1.00 0.00 O ATOM 1167 CB GLU A 76 10.489 8.163 -0.001 1.00 0.00 C ATOM 1168 CG GLU A 76 10.233 9.200 1.101 1.00 0.00 C ATOM 1169 CD GLU A 76 9.625 10.495 0.540 1.00 0.00 C ATOM 1170 OE1 GLU A 76 10.380 11.318 -0.030 1.00 0.00 O ATOM 1171 OE2 GLU A 76 8.399 10.701 0.680 1.00 0.00 O ATOM 0 H GLU A 76 8.988 6.746 1.300 1.00 0.00 H new ATOM 0 HA GLU A 76 8.545 8.339 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.098 7.358 0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.072 8.631 -0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.561 8.777 1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.170 9.429 1.609 1.00 0.00 H new ATOM 1178 N ASN A 77 10.190 5.521 -1.569 1.00 0.00 N ATOM 1179 CA ASN A 77 10.615 4.543 -2.577 1.00 0.00 C ATOM 1180 C ASN A 77 9.614 3.375 -2.711 1.00 0.00 C ATOM 1181 O ASN A 77 9.776 2.526 -3.590 1.00 0.00 O ATOM 1182 CB ASN A 77 12.013 4.017 -2.210 1.00 0.00 C ATOM 1183 CG ASN A 77 13.060 5.119 -2.067 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.754 5.470 -3.016 1.00 0.00 O ATOM 1185 ND2 ASN A 77 13.220 5.677 -0.880 1.00 0.00 N ATOM 0 H ASN A 77 10.389 5.215 -0.617 1.00 0.00 H new ATOM 0 HA ASN A 77 10.648 5.042 -3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.950 3.463 -1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.340 3.313 -2.975 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.923 6.404 -0.749 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.640 5.381 -0.095 1.00 0.00 H new ATOM 1192 N MET A 78 8.603 3.325 -1.830 1.00 0.00 N ATOM 1193 CA MET A 78 7.605 2.247 -1.688 1.00 0.00 C ATOM 1194 C MET A 78 8.274 0.893 -1.380 1.00 0.00 C ATOM 1195 O MET A 78 8.213 -0.041 -2.185 1.00 0.00 O ATOM 1196 CB MET A 78 6.664 2.169 -2.909 1.00 0.00 C ATOM 1197 CG MET A 78 5.863 3.450 -3.188 1.00 0.00 C ATOM 1198 SD MET A 78 4.081 3.337 -2.862 1.00 0.00 S ATOM 1199 CE MET A 78 4.101 3.298 -1.054 1.00 0.00 C ATOM 0 H MET A 78 8.449 4.077 -1.158 1.00 0.00 H new ATOM 0 HA MET A 78 6.980 2.495 -0.830 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.256 1.928 -3.792 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.965 1.346 -2.760 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.276 4.256 -2.582 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.008 3.729 -4.232 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.078 3.265 -0.679 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.640 2.413 -0.715 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.597 4.192 -0.676 1.00 0.00 H new ATOM 1209 N VAL A 79 8.918 0.773 -0.211 1.00 0.00 N ATOM 1210 CA VAL A 79 9.689 -0.433 0.180 1.00 0.00 C ATOM 1211 C VAL A 79 9.620 -0.762 1.679 1.00 0.00 C ATOM 1212 O VAL A 79 9.303 0.091 2.501 1.00 0.00 O ATOM 1213 CB VAL A 79 11.177 -0.360 -0.249 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.379 -0.344 -1.771 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.908 0.827 0.396 1.00 0.00 C ATOM 0 H VAL A 79 8.924 1.507 0.497 1.00 0.00 H new ATOM 0 HA VAL A 79 9.196 -1.239 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 79 11.620 -1.285 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.444 -0.292 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.961 -1.253 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.876 0.525 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.947 0.837 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.424 1.757 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.873 0.730 1.481 1.00 0.00 H new ATOM 1225 N GLN A 80 9.945 -2.012 2.018 1.00 0.00 N ATOM 1226 CA GLN A 80 9.996 -2.595 3.355 1.00 0.00 C ATOM 1227 C GLN A 80 11.401 -3.125 3.651 1.00 0.00 C ATOM 1228 O GLN A 80 11.961 -3.850 2.832 1.00 0.00 O ATOM 1229 CB GLN A 80 9.017 -3.782 3.392 1.00 0.00 C ATOM 1230 CG GLN A 80 7.562 -3.386 3.119 1.00 0.00 C ATOM 1231 CD GLN A 80 6.932 -2.567 4.237 1.00 0.00 C ATOM 1232 OE1 GLN A 80 7.590 -2.152 5.174 1.00 0.00 O ATOM 1233 NE2 GLN A 80 5.635 -2.344 4.207 1.00 0.00 N ATOM 0 H GLN A 80 10.199 -2.695 1.305 1.00 0.00 H new ATOM 0 HA GLN A 80 9.735 -1.836 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.328 -4.522 2.654 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.077 -4.261 4.369 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.518 -2.814 2.192 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.971 -4.289 2.965 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.076 -2.688 3.426 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.189 -1.827 4.965 1.00 0.00 H new ATOM 1242 N TYR A 81 11.957 -2.801 4.822 1.00 0.00 N ATOM 1243 CA TYR A 81 13.271 -3.287 5.279 1.00 0.00 C ATOM 1244 C TYR A 81 13.403 -3.364 6.809 1.00 0.00 C ATOM 1245 O TYR A 81 12.668 -2.694 7.538 1.00 0.00 O ATOM 1246 CB TYR A 81 14.390 -2.420 4.682 1.00 0.00 C ATOM 1247 CG TYR A 81 14.233 -0.913 4.820 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.425 -0.271 6.061 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.935 -0.142 3.679 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.341 1.132 6.157 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.865 1.257 3.762 1.00 0.00 C ATOM 1252 CZ TYR A 81 14.062 1.902 5.004 1.00 0.00 C ATOM 1253 OH TYR A 81 13.989 3.260 5.083 1.00 0.00 O ATOM 0 H TYR A 81 11.502 -2.183 5.494 1.00 0.00 H new ATOM 0 HA TYR A 81 13.365 -4.312 4.919 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.331 -2.709 5.151 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.476 -2.658 3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.638 -0.858 6.942 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.759 -0.632 2.733 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.489 1.619 7.110 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.661 1.841 2.877 1.00 0.00 H new ATOM 0 HH TYR A 81 13.790 3.629 4.197 1.00 0.00 H new ATOM 1263 N ARG A 82 14.363 -4.151 7.306 1.00 0.00 N ATOM 1264 CA ARG A 82 14.691 -4.251 8.739 1.00 0.00 C ATOM 1265 C ARG A 82 15.387 -2.975 9.238 1.00 0.00 C ATOM 1266 O ARG A 82 16.253 -2.438 8.544 1.00 0.00 O ATOM 1267 CB ARG A 82 15.572 -5.490 8.992 1.00 0.00 C ATOM 1268 CG ARG A 82 14.809 -6.796 8.717 1.00 0.00 C ATOM 1269 CD ARG A 82 15.619 -8.036 9.119 1.00 0.00 C ATOM 1270 NE ARG A 82 14.841 -9.277 8.941 1.00 0.00 N ATOM 1271 CZ ARG A 82 14.696 -9.991 7.830 1.00 0.00 C ATOM 1272 NH1 ARG A 82 15.246 -9.676 6.681 1.00 0.00 N ATOM 1273 NH2 ARG A 82 13.969 -11.081 7.823 1.00 0.00 N ATOM 0 H ARG A 82 14.945 -4.747 6.718 1.00 0.00 H new ATOM 0 HA ARG A 82 13.762 -4.360 9.299 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.456 -5.444 8.356 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.922 -5.483 10.024 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.867 -6.786 9.265 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.561 -6.854 7.657 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.528 -8.087 8.519 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.929 -7.947 10.160 1.00 0.00 H new ATOM 0 HE ARG A 82 14.358 -9.628 9.768 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.825 -8.839 6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.095 -10.268 5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.506 -11.391 8.677 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.866 -11.620 6.963 1.00 0.00 H new ATOM 1287 N ARG A 83 15.052 -2.512 10.450 1.00 0.00 N ATOM 1288 CA ARG A 83 15.547 -1.252 11.054 1.00 0.00 C ATOM 1289 C ARG A 83 17.076 -1.068 10.987 1.00 0.00 C ATOM 1290 O ARG A 83 17.556 0.038 10.734 1.00 0.00 O ATOM 1291 CB ARG A 83 15.117 -1.178 12.531 1.00 0.00 C ATOM 1292 CG ARG A 83 13.626 -0.862 12.730 1.00 0.00 C ATOM 1293 CD ARG A 83 13.208 -0.979 14.207 1.00 0.00 C ATOM 1294 NE ARG A 83 14.053 -0.168 15.108 1.00 0.00 N ATOM 1295 CZ ARG A 83 13.865 1.094 15.482 1.00 0.00 C ATOM 1296 NH1 ARG A 83 12.801 1.788 15.147 1.00 0.00 N ATOM 1297 NH2 ARG A 83 14.777 1.689 16.224 1.00 0.00 N ATOM 0 H ARG A 83 14.409 -3.015 11.062 1.00 0.00 H new ATOM 0 HA ARG A 83 15.104 -0.453 10.459 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.345 -2.128 13.014 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.711 -0.415 13.034 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.417 0.146 12.372 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.026 -1.544 12.128 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.169 -0.666 14.312 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.258 -2.024 14.512 1.00 0.00 H new ATOM 0 HE ARG A 83 14.878 -0.631 15.488 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.073 1.361 14.575 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.703 2.754 15.459 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.616 1.182 16.505 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.644 2.657 16.517 1.00 0.00 H new ATOM 1311 N ASN A 84 17.836 -2.148 11.194 1.00 0.00 N ATOM 1312 CA ASN A 84 19.306 -2.151 11.234 1.00 0.00 C ATOM 1313 C ASN A 84 19.968 -2.564 9.896 1.00 0.00 C ATOM 1314 O ASN A 84 21.196 -2.628 9.805 1.00 0.00 O ATOM 1315 CB ASN A 84 19.739 -3.048 12.406 1.00 0.00 C ATOM 1316 CG ASN A 84 21.196 -2.819 12.803 1.00 0.00 C ATOM 1317 OD1 ASN A 84 21.591 -1.726 13.195 1.00 0.00 O ATOM 1318 ND2 ASN A 84 22.031 -3.837 12.723 1.00 0.00 N ATOM 0 H ASN A 84 17.435 -3.074 11.343 1.00 0.00 H new ATOM 0 HA ASN A 84 19.656 -1.130 11.389 1.00 0.00 H new ATOM 0 HB2 ASN A 84 19.096 -2.856 13.265 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.599 -4.094 12.131 1.00 0.00 H new ATOM 0 HD21 ASN A 84 23.009 -3.717 12.988 1.00 0.00 H new ATOM 0 HD22 ASN A 84 21.699 -4.745 12.397 1.00 0.00 H new ATOM 1325 N GLU A 85 19.175 -2.881 8.865 1.00 0.00 N ATOM 1326 CA GLU A 85 19.630 -3.490 7.610 1.00 0.00 C ATOM 1327 C GLU A 85 18.769 -3.000 6.429 1.00 0.00 C ATOM 1328 O GLU A 85 18.095 -3.766 5.736 1.00 0.00 O ATOM 1329 CB GLU A 85 19.681 -5.020 7.791 1.00 0.00 C ATOM 1330 CG GLU A 85 20.479 -5.730 6.694 1.00 0.00 C ATOM 1331 CD GLU A 85 20.629 -7.226 7.006 1.00 0.00 C ATOM 1332 OE1 GLU A 85 19.615 -7.963 6.963 1.00 0.00 O ATOM 1333 OE2 GLU A 85 21.763 -7.675 7.296 1.00 0.00 O ATOM 0 H GLU A 85 18.169 -2.716 8.882 1.00 0.00 H new ATOM 0 HA GLU A 85 20.643 -3.175 7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 85 20.123 -5.250 8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.664 -5.412 7.803 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.978 -5.603 5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 85 21.464 -5.273 6.602 1.00 0.00 H new ATOM 1340 N HIS A 86 18.780 -1.684 6.200 1.00 0.00 N ATOM 1341 CA HIS A 86 17.972 -1.011 5.170 1.00 0.00 C ATOM 1342 C HIS A 86 18.272 -1.458 3.719 1.00 0.00 C ATOM 1343 O HIS A 86 17.424 -1.328 2.832 1.00 0.00 O ATOM 1344 CB HIS A 86 18.127 0.506 5.334 1.00 0.00 C ATOM 1345 CG HIS A 86 19.525 1.013 5.094 1.00 0.00 C ATOM 1346 ND1 HIS A 86 20.091 1.255 3.841 1.00 0.00 N ATOM 1347 CD2 HIS A 86 20.448 1.281 6.061 1.00 0.00 C ATOM 1348 CE1 HIS A 86 21.347 1.668 4.086 1.00 0.00 C ATOM 1349 NE2 HIS A 86 21.590 1.695 5.409 1.00 0.00 N ATOM 0 H HIS A 86 19.362 -1.040 6.735 1.00 0.00 H new ATOM 0 HA HIS A 86 16.936 -1.309 5.331 1.00 0.00 H new ATOM 0 HB2 HIS A 86 17.448 1.006 4.644 1.00 0.00 H new ATOM 0 HB3 HIS A 86 17.819 0.785 6.342 1.00 0.00 H new ATOM 0 HD2 HIS A 86 20.311 1.187 7.128 1.00 0.00 H new ATOM 0 HE1 HIS A 86 22.063 1.941 3.325 1.00 0.00 H new ATOM 0 HE2 HIS A 86 22.466 1.973 5.852 1.00 0.00 H new ATOM 1357 N GLY A 87 19.451 -2.046 3.488 1.00 0.00 N ATOM 1358 CA GLY A 87 19.895 -2.591 2.196 1.00 0.00 C ATOM 1359 C GLY A 87 19.188 -3.888 1.777 1.00 0.00 C ATOM 1360 O GLY A 87 19.279 -4.269 0.610 1.00 0.00 O ATOM 0 H GLY A 87 20.150 -2.161 4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 87 19.735 -1.839 1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.968 -2.776 2.243 1.00 0.00 H new ATOM 1364 N ARG A 88 18.445 -4.541 2.684 1.00 0.00 N ATOM 1365 CA ARG A 88 17.660 -5.763 2.412 1.00 0.00 C ATOM 1366 C ARG A 88 16.261 -5.477 1.817 1.00 0.00 C ATOM 1367 O ARG A 88 15.398 -6.354 1.827 1.00 0.00 O ATOM 1368 CB ARG A 88 17.575 -6.611 3.705 1.00 0.00 C ATOM 1369 CG ARG A 88 17.980 -8.083 3.517 1.00 0.00 C ATOM 1370 CD ARG A 88 17.136 -8.826 2.473 1.00 0.00 C ATOM 1371 NE ARG A 88 17.534 -10.234 2.327 1.00 0.00 N ATOM 1372 CZ ARG A 88 18.592 -10.731 1.707 1.00 0.00 C ATOM 1373 NH1 ARG A 88 19.564 -9.987 1.216 1.00 0.00 N ATOM 1374 NH2 ARG A 88 18.648 -12.032 1.567 1.00 0.00 N ATOM 0 H ARG A 88 18.369 -4.229 3.652 1.00 0.00 H new ATOM 0 HA ARG A 88 18.181 -6.328 1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 88 18.216 -6.163 4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.555 -6.572 4.086 1.00 0.00 H new ATOM 0 HG2 ARG A 88 19.028 -8.127 3.222 1.00 0.00 H new ATOM 0 HG3 ARG A 88 17.896 -8.599 4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.085 -8.776 2.758 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.229 -8.323 1.510 1.00 0.00 H new ATOM 0 HE ARG A 88 16.913 -10.917 2.761 1.00 0.00 H new ATOM 0 HH11 ARG A 88 19.524 -8.972 1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 88 20.356 -10.427 0.747 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.895 -12.617 1.929 1.00 0.00 H new ATOM 0 HH22 ARG A 88 19.445 -12.460 1.096 1.00 0.00 H new ATOM 1388 N ARG A 89 16.012 -4.251 1.340 1.00 0.00 N ATOM 1389 CA ARG A 89 14.686 -3.737 0.965 1.00 0.00 C ATOM 1390 C ARG A 89 13.904 -4.554 -0.083 1.00 0.00 C ATOM 1391 O ARG A 89 14.484 -5.139 -1.003 1.00 0.00 O ATOM 1392 CB ARG A 89 14.779 -2.238 0.624 1.00 0.00 C ATOM 1393 CG ARG A 89 15.646 -1.893 -0.593 1.00 0.00 C ATOM 1394 CD ARG A 89 15.680 -0.380 -0.835 1.00 0.00 C ATOM 1395 NE ARG A 89 16.506 -0.040 -2.007 1.00 0.00 N ATOM 1396 CZ ARG A 89 16.677 1.171 -2.523 1.00 0.00 C ATOM 1397 NH1 ARG A 89 16.123 2.244 -1.993 1.00 0.00 N ATOM 1398 NH2 ARG A 89 17.421 1.324 -3.597 1.00 0.00 N ATOM 0 H ARG A 89 16.753 -3.565 1.199 1.00 0.00 H new ATOM 0 HA ARG A 89 14.063 -3.866 1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.772 -1.859 0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.174 -1.709 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.660 -2.262 -0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.255 -2.397 -1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.665 -0.011 -0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.075 0.122 0.048 1.00 0.00 H new ATOM 0 HE ARG A 89 16.993 -0.809 -2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.541 2.159 -1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 89 16.276 3.159 -2.417 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.864 0.514 -4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.555 2.253 -3.997 1.00 0.00 H new ATOM 1412 N ARG A 90 12.573 -4.567 0.069 1.00 0.00 N ATOM 1413 CA ARG A 90 11.588 -5.310 -0.742 1.00 0.00 C ATOM 1414 C ARG A 90 10.379 -4.425 -1.079 1.00 0.00 C ATOM 1415 O ARG A 90 9.895 -3.684 -0.228 1.00 0.00 O ATOM 1416 CB ARG A 90 11.121 -6.569 0.023 1.00 0.00 C ATOM 1417 CG ARG A 90 12.239 -7.565 0.391 1.00 0.00 C ATOM 1418 CD ARG A 90 12.920 -8.171 -0.840 1.00 0.00 C ATOM 1419 NE ARG A 90 14.094 -8.979 -0.477 1.00 0.00 N ATOM 1420 CZ ARG A 90 15.342 -8.815 -0.890 1.00 0.00 C ATOM 1421 NH1 ARG A 90 15.767 -7.731 -1.509 1.00 0.00 N ATOM 1422 NH2 ARG A 90 16.182 -9.794 -0.661 1.00 0.00 N ATOM 0 H ARG A 90 12.123 -4.026 0.807 1.00 0.00 H new ATOM 0 HA ARG A 90 12.066 -5.610 -1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.621 -6.254 0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.378 -7.088 -0.583 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.986 -7.057 1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.820 -8.366 1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.206 -8.792 -1.381 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.224 -7.372 -1.516 1.00 0.00 H new ATOM 0 HE ARG A 90 13.929 -9.754 0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.122 -6.962 -1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.741 -7.661 -1.804 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.864 -10.637 -0.183 1.00 0.00 H new ATOM 0 HH22 ARG A 90 17.154 -9.713 -0.961 1.00 0.00 H new ATOM 1436 N LYS A 91 9.899 -4.476 -2.321 1.00 0.00 N ATOM 1437 CA LYS A 91 8.873 -3.575 -2.882 1.00 0.00 C ATOM 1438 C LYS A 91 7.456 -3.742 -2.303 1.00 0.00 C ATOM 1439 O LYS A 91 7.007 -4.857 -2.021 1.00 0.00 O ATOM 1440 CB LYS A 91 8.836 -3.804 -4.403 1.00 0.00 C ATOM 1441 CG LYS A 91 9.795 -2.903 -5.193 1.00 0.00 C ATOM 1442 CD LYS A 91 9.227 -1.507 -5.506 1.00 0.00 C ATOM 1443 CE LYS A 91 7.927 -1.496 -6.331 1.00 0.00 C ATOM 1444 NZ LYS A 91 8.009 -2.329 -7.562 1.00 0.00 N ATOM 0 H LYS A 91 10.221 -5.170 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 91 9.164 -2.560 -2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.080 -4.846 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.820 -3.638 -4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.720 -2.789 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.053 -3.397 -6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.045 -0.987 -4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.984 -0.937 -6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.107 -1.856 -5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.689 -0.469 -6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.211 -2.101 -8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.904 -2.133 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.969 -3.336 -7.303 1.00 0.00 H new ATOM 1458 N ILE A 92 6.715 -2.631 -2.243 1.00 0.00 N ATOM 1459 CA ILE A 92 5.275 -2.544 -1.915 1.00 0.00 C ATOM 1460 C ILE A 92 4.536 -1.592 -2.873 1.00 0.00 C ATOM 1461 O ILE A 92 5.163 -0.889 -3.665 1.00 0.00 O ATOM 1462 CB ILE A 92 5.045 -2.152 -0.432 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.805 -0.868 -0.067 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.411 -3.318 0.487 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.563 -0.333 1.343 1.00 0.00 C ATOM 0 H ILE A 92 7.119 -1.714 -2.431 1.00 0.00 H new ATOM 0 HA ILE A 92 4.852 -3.539 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 92 3.986 -1.937 -0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.872 -1.053 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.533 -0.091 -0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.245 -3.029 1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.789 -4.180 0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.460 -3.577 0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.148 0.574 1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.504 -0.107 1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.864 -1.084 2.074 1.00 0.00 H new ATOM 1477 N LYS A 93 3.203 -1.573 -2.796 1.00 0.00 N ATOM 1478 CA LYS A 93 2.317 -0.653 -3.525 1.00 0.00 C ATOM 1479 C LYS A 93 0.958 -0.451 -2.825 1.00 0.00 C ATOM 1480 O LYS A 93 0.568 -1.249 -1.965 1.00 0.00 O ATOM 1481 CB LYS A 93 2.108 -1.136 -4.983 1.00 0.00 C ATOM 1482 CG LYS A 93 1.233 -2.400 -5.097 1.00 0.00 C ATOM 1483 CD LYS A 93 0.787 -2.678 -6.537 1.00 0.00 C ATOM 1484 CE LYS A 93 -0.083 -3.945 -6.570 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.880 -4.039 -7.821 1.00 0.00 N ATOM 0 H LYS A 93 2.688 -2.222 -2.202 1.00 0.00 H new ATOM 0 HA LYS A 93 2.815 0.317 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.649 -0.333 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.080 -1.336 -5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.790 -3.258 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.353 -2.287 -4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.225 -1.828 -6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.658 -2.805 -7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.554 -4.825 -6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.754 -3.947 -5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.165 -5.027 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.728 -3.443 -7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.305 -3.713 -8.624 1.00 0.00 H new ATOM 1499 N ARG A 94 0.223 0.578 -3.257 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.198 0.799 -2.947 1.00 0.00 C ATOM 1501 C ARG A 94 -2.059 0.373 -4.144 1.00 0.00 C ATOM 1502 O ARG A 94 -1.620 0.456 -5.294 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.469 2.276 -2.625 1.00 0.00 C ATOM 1504 CG ARG A 94 -0.916 2.677 -1.253 1.00 0.00 C ATOM 1505 CD ARG A 94 -1.244 4.130 -0.878 1.00 0.00 C ATOM 1506 NE ARG A 94 -2.685 4.337 -0.636 1.00 0.00 N ATOM 1507 CZ ARG A 94 -3.568 4.912 -1.441 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -3.258 5.345 -2.648 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -4.803 5.062 -1.026 1.00 0.00 N ATOM 0 H ARG A 94 0.612 1.308 -3.854 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.454 0.201 -2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.019 2.903 -3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.543 2.461 -2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.324 2.010 -0.493 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.166 2.541 -1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.685 4.407 0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.914 4.792 -1.678 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.044 3.998 0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.305 5.243 -2.997 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.971 5.781 -3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.072 4.738 -0.097 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.495 5.502 -1.632 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.295 -0.038 -3.884 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.306 -0.369 -4.896 1.00 0.00 C ATOM 1525 C ASP A 95 -5.736 -0.168 -4.359 1.00 0.00 C ATOM 1526 O ASP A 95 -5.939 0.185 -3.196 1.00 0.00 O ATOM 1527 CB ASP A 95 -4.102 -1.808 -5.413 1.00 0.00 C ATOM 1528 CG ASP A 95 -4.161 -1.879 -6.945 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -5.176 -1.415 -7.517 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -3.199 -2.403 -7.559 1.00 0.00 O ATOM 0 H ASP A 95 -3.638 -0.156 -2.931 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.178 0.318 -5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.139 -2.184 -5.069 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.868 -2.458 -4.990 1.00 0.00 H new ATOM 1535 N ILE A 96 -6.733 -0.403 -5.215 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.162 -0.197 -4.938 1.00 0.00 C ATOM 1537 C ILE A 96 -8.959 -1.458 -5.281 1.00 0.00 C ATOM 1538 O ILE A 96 -8.733 -2.099 -6.310 1.00 0.00 O ATOM 1539 CB ILE A 96 -8.697 1.010 -5.746 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -7.900 2.305 -5.488 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.196 1.257 -5.457 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.069 2.849 -4.069 1.00 0.00 C ATOM 0 H ILE A 96 -6.564 -0.756 -6.157 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.282 0.012 -3.875 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.569 0.747 -6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.843 2.115 -5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.217 3.066 -6.201 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.543 2.111 -6.039 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.770 0.373 -5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.333 1.462 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.482 3.760 -3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.121 3.070 -3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.725 2.105 -3.351 1.00 0.00 H new ATOM 1554 N ILE A 97 -9.926 -1.784 -4.427 1.00 0.00 N ATOM 1555 CA ILE A 97 -10.920 -2.841 -4.674 1.00 0.00 C ATOM 1556 C ILE A 97 -12.181 -2.251 -5.314 1.00 0.00 C ATOM 1557 O ILE A 97 -12.653 -1.189 -4.907 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.281 -3.587 -3.378 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -10.060 -4.164 -2.643 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.272 -4.718 -3.682 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.454 -3.166 -1.649 1.00 0.00 C ATOM 0 H ILE A 97 -10.048 -1.318 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.476 -3.560 -5.363 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.732 -2.848 -2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.353 -5.070 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.303 -4.453 -3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.522 -5.241 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.179 -4.300 -4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.820 -5.418 -4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.595 -3.620 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.135 -2.270 -2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.201 -2.897 -0.902 1.00 0.00 H new ATOM 1573 N ASP A 98 -12.762 -2.979 -6.269 1.00 0.00 N ATOM 1574 CA ASP A 98 -13.992 -2.586 -6.978 1.00 0.00 C ATOM 1575 C ASP A 98 -15.263 -3.347 -6.538 1.00 0.00 C ATOM 1576 O ASP A 98 -16.365 -2.826 -6.704 1.00 0.00 O ATOM 1577 CB ASP A 98 -13.740 -2.740 -8.485 1.00 0.00 C ATOM 1578 CG ASP A 98 -14.859 -2.133 -9.348 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -15.042 -0.892 -9.307 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -15.517 -2.892 -10.100 1.00 0.00 O ATOM 0 H ASP A 98 -12.388 -3.875 -6.581 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.205 -1.549 -6.718 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.793 -2.263 -8.740 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.638 -3.799 -8.724 1.00 0.00 H new ATOM 1585 N ILE A 99 -15.095 -4.539 -5.937 1.00 0.00 N ATOM 1586 CA ILE A 99 -16.116 -5.445 -5.349 1.00 0.00 C ATOM 1587 C ILE A 99 -16.907 -6.213 -6.444 1.00 0.00 C ATOM 1588 O ILE A 99 -17.443 -5.585 -7.365 1.00 0.00 O ATOM 1589 CB ILE A 99 -17.057 -4.720 -4.344 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.299 -3.919 -3.257 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -18.053 -5.684 -3.672 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.521 -4.755 -2.233 1.00 0.00 C ATOM 0 H ILE A 99 -14.160 -4.934 -5.838 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.570 -6.188 -4.768 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.612 -4.008 -4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.601 -3.243 -3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.018 -3.300 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.686 -5.129 -2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.674 -6.155 -4.434 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.504 -6.451 -3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.030 -4.092 -1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.209 -5.413 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.770 -5.355 -2.748 1.00 0.00 H new