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+ -122:sc= 0.0179 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.0938 USER MOD Set 2.1: A 43 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 64 MET CE :methyl -149:sc= -0.0131 (180deg=-1.45) USER MOD Set 2.3: A 80 GLN : amide:sc= -0.583 K(o=-0.6,f=-1.1) USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= 0.266 USER MOD Set 3.2: A 42 GLN : amide:sc= 0.355 X(o=0.62,f=0.64) 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=-0.01) 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=-0.66,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.576 K(o=0.58,f=0) USER MOD Single : A 78 MET CE :methyl 162:sc= -0.137 (180deg=-1.03) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0049 K(o=-0.0049,f=-1.3) USER MOD Single : A 86 HIS : no HD1:sc= 0.0778 K(o=0.078,f=-1) USER MOD Single : A 91 LYS NZ :NH3+ 149:sc= 1.04 (180deg=0.468) USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= 1.16 (180deg=0.915) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 14 0.677 7.498 -16.246 1.00 0.00 N ATOM 175 CA LEU A 14 0.482 7.830 -17.662 1.00 0.00 C ATOM 176 C LEU A 14 -0.915 8.421 -17.918 1.00 0.00 C ATOM 177 O LEU A 14 -1.142 9.039 -18.960 1.00 0.00 O ATOM 178 CB LEU A 14 0.663 6.533 -18.467 1.00 0.00 C ATOM 179 CG LEU A 14 2.044 5.864 -18.276 1.00 0.00 C ATOM 180 CD1 LEU A 14 1.848 4.347 -18.239 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.021 6.275 -19.384 1.00 0.00 C ATOM 0 HA LEU A 14 1.207 8.586 -17.965 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.115 5.826 -18.178 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.519 6.751 -19.525 1.00 0.00 H new ATOM 0 HG LEU A 14 2.483 6.197 -17.336 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.813 3.859 -18.105 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.190 4.085 -17.410 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.401 4.015 -19.176 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.982 5.788 -19.221 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.621 5.973 -20.352 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.155 7.357 -19.368 1.00 0.00 H new ATOM 193 N LEU A 15 -1.845 8.218 -16.975 1.00 0.00 N ATOM 194 CA LEU A 15 -3.237 8.674 -17.069 1.00 0.00 C ATOM 195 C LEU A 15 -3.397 10.179 -16.805 1.00 0.00 C ATOM 196 O LEU A 15 -2.456 10.907 -16.479 1.00 0.00 O ATOM 197 CB LEU A 15 -4.155 7.874 -16.116 1.00 0.00 C ATOM 198 CG LEU A 15 -3.989 6.341 -16.118 1.00 0.00 C ATOM 199 CD1 LEU A 15 -5.054 5.716 -15.205 1.00 0.00 C ATOM 200 CD2 LEU A 15 -4.091 5.734 -17.524 1.00 0.00 C ATOM 0 H LEU A 15 -1.645 7.721 -16.107 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.540 8.491 -18.100 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.987 8.233 -15.101 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.190 8.104 -16.368 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.988 6.120 -15.748 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.941 4.632 -15.203 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.932 6.095 -14.191 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.047 5.976 -15.573 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.967 4.653 -17.463 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.068 5.964 -17.949 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.311 6.154 -18.159 1.00 0.00 H new ATOM 212 N SER A 16 -4.640 10.632 -16.910 1.00 0.00 N ATOM 213 CA SER A 16 -5.095 11.985 -16.627 1.00 0.00 C ATOM 214 C SER A 16 -5.477 12.161 -15.147 1.00 0.00 C ATOM 215 O SER A 16 -5.896 11.192 -14.503 1.00 0.00 O ATOM 216 CB SER A 16 -6.315 12.245 -17.509 1.00 0.00 C ATOM 217 OG SER A 16 -5.949 12.447 -18.866 1.00 0.00 O ATOM 0 H SER A 16 -5.403 10.027 -17.214 1.00 0.00 H new ATOM 0 HA SER A 16 -4.291 12.691 -16.835 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.001 11.401 -17.439 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.849 13.121 -17.142 1.00 0.00 H new ATOM 0 HG SER A 16 -6.754 12.609 -19.401 1.00 0.00 H new ATOM 223 N PRO A 17 -5.434 13.400 -14.617 1.00 0.00 N ATOM 224 CA PRO A 17 -5.813 13.712 -13.238 1.00 0.00 C ATOM 225 C PRO A 17 -7.287 13.397 -12.933 1.00 0.00 C ATOM 226 O PRO A 17 -7.632 13.183 -11.774 1.00 0.00 O ATOM 227 CB PRO A 17 -5.499 15.202 -13.061 1.00 0.00 C ATOM 228 CG PRO A 17 -5.628 15.767 -14.476 1.00 0.00 C ATOM 229 CD PRO A 17 -5.122 14.620 -15.347 1.00 0.00 C ATOM 0 HA PRO A 17 -5.259 13.091 -12.534 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.197 15.680 -12.373 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.498 15.356 -12.658 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.659 16.031 -14.714 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.030 16.669 -14.607 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.607 14.627 -16.323 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.050 14.707 -15.524 1.00 0.00 H new ATOM 237 N GLU A 18 -8.140 13.313 -13.961 1.00 0.00 N ATOM 238 CA GLU A 18 -9.558 12.963 -13.832 1.00 0.00 C ATOM 239 C GLU A 18 -9.775 11.442 -13.715 1.00 0.00 C ATOM 240 O GLU A 18 -10.685 11.003 -13.014 1.00 0.00 O ATOM 241 CB GLU A 18 -10.337 13.495 -15.050 1.00 0.00 C ATOM 242 CG GLU A 18 -10.168 14.999 -15.317 1.00 0.00 C ATOM 243 CD GLU A 18 -10.660 15.869 -14.147 1.00 0.00 C ATOM 244 OE1 GLU A 18 -11.882 15.871 -13.862 1.00 0.00 O ATOM 245 OE2 GLU A 18 -9.837 16.582 -13.527 1.00 0.00 O ATOM 0 H GLU A 18 -7.857 13.490 -14.925 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.924 13.424 -12.915 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.018 12.945 -15.936 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.396 13.283 -14.907 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.117 15.214 -15.507 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.717 15.267 -16.220 1.00 0.00 H new ATOM 252 N GLU A 19 -8.932 10.632 -14.366 1.00 0.00 N ATOM 253 CA GLU A 19 -9.044 9.167 -14.418 1.00 0.00 C ATOM 254 C GLU A 19 -8.775 8.532 -13.052 1.00 0.00 C ATOM 255 O GLU A 19 -9.537 7.694 -12.570 1.00 0.00 O ATOM 256 CB GLU A 19 -8.011 8.614 -15.413 1.00 0.00 C ATOM 257 CG GLU A 19 -8.424 8.724 -16.881 1.00 0.00 C ATOM 258 CD GLU A 19 -9.621 7.820 -17.226 1.00 0.00 C ATOM 259 OE1 GLU A 19 -9.441 6.585 -17.333 1.00 0.00 O ATOM 260 OE2 GLU A 19 -10.745 8.343 -17.416 1.00 0.00 O ATOM 0 H GLU A 19 -8.130 10.986 -14.887 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.060 8.923 -14.727 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.069 9.145 -15.273 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.824 7.566 -15.179 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.678 9.760 -17.107 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.578 8.458 -17.514 1.00 0.00 H new ATOM 267 N LEU A 20 -7.675 8.952 -12.431 1.00 0.00 N ATOM 268 CA LEU A 20 -7.173 8.456 -11.146 1.00 0.00 C ATOM 269 C LEU A 20 -8.158 8.804 -10.026 1.00 0.00 C ATOM 270 O LEU A 20 -8.550 7.952 -9.226 1.00 0.00 O ATOM 271 CB LEU A 20 -5.799 9.104 -10.884 1.00 0.00 C ATOM 272 CG LEU A 20 -4.768 8.908 -12.024 1.00 0.00 C ATOM 273 CD1 LEU A 20 -3.928 10.182 -12.166 1.00 0.00 C ATOM 274 CD2 LEU A 20 -3.897 7.668 -11.789 1.00 0.00 C ATOM 0 H LEU A 20 -7.080 9.681 -12.826 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.069 7.371 -11.173 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.941 10.172 -10.719 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.386 8.691 -9.963 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.298 8.733 -12.960 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.200 10.051 -12.967 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.580 11.023 -12.402 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.406 10.380 -11.230 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.186 7.562 -12.608 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.355 7.777 -10.850 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.530 6.782 -11.742 1.00 0.00 H new ATOM 286 N LYS A 21 -8.616 10.061 -10.019 1.00 0.00 N ATOM 287 CA LYS A 21 -9.672 10.534 -9.117 1.00 0.00 C ATOM 288 C LYS A 21 -10.998 9.788 -9.334 1.00 0.00 C ATOM 289 O LYS A 21 -11.628 9.407 -8.349 1.00 0.00 O ATOM 290 CB LYS A 21 -9.836 12.059 -9.260 1.00 0.00 C ATOM 291 CG LYS A 21 -8.939 12.885 -8.318 1.00 0.00 C ATOM 292 CD LYS A 21 -7.448 12.506 -8.327 1.00 0.00 C ATOM 293 CE LYS A 21 -6.647 13.526 -7.506 1.00 0.00 C ATOM 294 NZ LYS A 21 -5.199 13.194 -7.467 1.00 0.00 N ATOM 0 H LYS A 21 -8.261 10.784 -10.644 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.371 10.314 -8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.618 12.341 -10.290 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.878 12.320 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.031 13.937 -8.587 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.317 12.782 -7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.315 11.507 -7.912 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.077 12.478 -9.351 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.780 14.520 -7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.039 13.561 -6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.694 13.907 -6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.069 12.256 -7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.819 13.186 -8.435 1.00 0.00 H new ATOM 308 N ALA A 22 -11.398 9.498 -10.579 1.00 0.00 N ATOM 309 CA ALA A 22 -12.617 8.728 -10.866 1.00 0.00 C ATOM 310 C ALA A 22 -12.510 7.261 -10.407 1.00 0.00 C ATOM 311 O ALA A 22 -13.448 6.742 -9.797 1.00 0.00 O ATOM 312 CB ALA A 22 -12.942 8.836 -12.361 1.00 0.00 C ATOM 0 H ALA A 22 -10.888 9.789 -11.413 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.438 9.156 -10.290 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.845 8.266 -12.579 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.100 9.882 -12.624 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.112 8.437 -12.944 1.00 0.00 H new ATOM 391 N GLU A 29 -12.766 2.419 -1.453 1.00 0.00 N ATOM 392 CA GLU A 29 -11.943 1.322 -0.952 1.00 0.00 C ATOM 393 C GLU A 29 -10.444 1.635 -1.047 1.00 0.00 C ATOM 394 O GLU A 29 -10.050 2.658 -1.600 1.00 0.00 O ATOM 395 CB GLU A 29 -12.249 0.077 -1.794 1.00 0.00 C ATOM 396 CG GLU A 29 -13.356 -0.788 -1.183 1.00 0.00 C ATOM 397 CD GLU A 29 -14.738 -0.116 -1.255 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.260 0.071 -2.379 1.00 0.00 O ATOM 399 OE2 GLU A 29 -15.304 0.217 -0.186 1.00 0.00 O ATOM 0 HA GLU A 29 -12.179 1.164 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.545 0.385 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.342 -0.519 -1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.394 -1.745 -1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.113 -1.001 -0.142 1.00 0.00 H new ATOM 406 N TYR A 30 -9.610 0.722 -0.538 1.00 0.00 N ATOM 407 CA TYR A 30 -8.145 0.804 -0.546 1.00 0.00 C ATOM 408 C TYR A 30 -7.471 -0.498 -0.095 1.00 0.00 C ATOM 409 O TYR A 30 -8.012 -1.254 0.718 1.00 0.00 O ATOM 410 CB TYR A 30 -7.662 1.965 0.332 1.00 0.00 C ATOM 411 CG TYR A 30 -7.905 1.743 1.815 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.205 1.868 2.343 1.00 0.00 C ATOM 413 CD2 TYR A 30 -6.842 1.336 2.644 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.437 1.625 3.710 1.00 0.00 C ATOM 415 CE2 TYR A 30 -7.069 1.083 4.011 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.366 1.236 4.550 1.00 0.00 C ATOM 417 OH TYR A 30 -8.582 0.989 5.874 1.00 0.00 O ATOM 0 H TYR A 30 -9.951 -0.129 -0.091 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.855 0.979 -1.582 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.596 2.117 0.165 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.167 2.880 0.022 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.024 2.150 1.699 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.851 1.218 2.231 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.431 1.735 4.118 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.253 0.772 4.646 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.738 0.732 6.301 1.00 0.00 H new ATOM 427 N ALA A 31 -6.262 -0.724 -0.602 1.00 0.00 N ATOM 428 CA ALA A 31 -5.398 -1.848 -0.264 1.00 0.00 C ATOM 429 C ALA A 31 -3.920 -1.469 -0.413 1.00 0.00 C ATOM 430 O ALA A 31 -3.566 -0.540 -1.142 1.00 0.00 O ATOM 431 CB ALA A 31 -5.766 -3.037 -1.162 1.00 0.00 C ATOM 0 H ALA A 31 -5.841 -0.100 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.548 -2.126 0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.127 -3.887 -0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.809 -3.308 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.624 -2.761 -2.207 1.00 0.00 H new ATOM 437 N TRP A 32 -3.067 -2.238 0.259 1.00 0.00 N ATOM 438 CA TRP A 32 -1.615 -2.200 0.115 1.00 0.00 C ATOM 439 C TRP A 32 -1.093 -3.589 -0.258 1.00 0.00 C ATOM 440 O TRP A 32 -1.627 -4.608 0.190 1.00 0.00 O ATOM 441 CB TRP A 32 -0.970 -1.700 1.413 1.00 0.00 C ATOM 442 CG TRP A 32 -1.104 -0.236 1.681 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.233 0.397 2.072 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.071 0.793 1.600 1.00 0.00 C ATOM 445 NE1 TRP A 32 -1.977 1.743 2.229 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.655 2.039 1.977 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.310 0.798 1.280 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.086 3.225 2.046 1.00 0.00 C ATOM 449 CZ3 TRP A 32 2.060 1.988 1.347 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.453 3.196 1.738 1.00 0.00 C ATOM 0 H TRP A 32 -3.379 -2.928 0.942 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.350 -1.508 -0.684 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.409 -2.245 2.249 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.090 -1.951 1.390 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.189 -0.079 2.236 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.678 2.433 2.498 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.792 -0.121 0.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.390 4.151 2.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.110 1.973 1.096 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.040 4.100 1.801 1.00 0.00 H new ATOM 461 N TYR A 33 -0.026 -3.624 -1.053 1.00 0.00 N ATOM 462 CA TYR A 33 0.608 -4.848 -1.548 1.00 0.00 C ATOM 463 C TYR A 33 2.137 -4.784 -1.424 1.00 0.00 C ATOM 464 O TYR A 33 2.725 -3.703 -1.390 1.00 0.00 O ATOM 465 CB TYR A 33 0.210 -5.094 -3.016 1.00 0.00 C ATOM 466 CG TYR A 33 -1.237 -5.465 -3.284 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.254 -4.488 -3.228 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.561 -6.786 -3.660 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.591 -4.836 -3.497 1.00 0.00 C ATOM 470 CE2 TYR A 33 -2.895 -7.139 -3.936 1.00 0.00 C ATOM 471 CZ TYR A 33 -3.916 -6.165 -3.846 1.00 0.00 C ATOM 472 OH TYR A 33 -5.211 -6.500 -4.096 1.00 0.00 O ATOM 0 H TYR A 33 0.437 -2.777 -1.382 1.00 0.00 H new ATOM 0 HA TYR A 33 0.257 -5.676 -0.932 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.440 -4.193 -3.585 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.842 -5.890 -3.410 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.005 -3.467 -2.977 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.781 -7.530 -3.736 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.367 -4.088 -3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.139 -8.153 -4.216 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.265 -7.452 -4.323 1.00 0.00 H new ATOM 482 N TYR A 34 2.781 -5.948 -1.411 1.00 0.00 N ATOM 483 CA TYR A 34 4.238 -6.131 -1.381 1.00 0.00 C ATOM 484 C TYR A 34 4.659 -7.284 -2.308 1.00 0.00 C ATOM 485 O TYR A 34 3.875 -8.211 -2.524 1.00 0.00 O ATOM 486 CB TYR A 34 4.686 -6.416 0.061 1.00 0.00 C ATOM 487 CG TYR A 34 4.235 -7.752 0.627 1.00 0.00 C ATOM 488 CD1 TYR A 34 2.959 -7.880 1.211 1.00 0.00 C ATOM 489 CD2 TYR A 34 5.088 -8.874 0.562 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.522 -9.123 1.708 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.662 -10.120 1.061 1.00 0.00 C ATOM 492 CZ TYR A 34 3.375 -10.249 1.632 1.00 0.00 C ATOM 493 OH TYR A 34 2.964 -11.457 2.109 1.00 0.00 O ATOM 0 H TYR A 34 2.280 -6.836 -1.422 1.00 0.00 H new ATOM 0 HA TYR A 34 4.718 -5.219 -1.736 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.774 -6.371 0.102 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.310 -5.621 0.705 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.311 -7.018 1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.072 -8.777 0.128 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.539 -9.216 2.146 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.318 -10.976 1.008 1.00 0.00 H new ATOM 0 HH TYR A 34 3.673 -12.120 1.976 1.00 0.00 H new ATOM 503 N GLU A 35 5.887 -7.261 -2.834 1.00 0.00 N ATOM 504 CA GLU A 35 6.430 -8.401 -3.586 1.00 0.00 C ATOM 505 C GLU A 35 6.917 -9.501 -2.626 1.00 0.00 C ATOM 506 O GLU A 35 7.945 -9.352 -1.958 1.00 0.00 O ATOM 507 CB GLU A 35 7.551 -7.968 -4.544 1.00 0.00 C ATOM 508 CG GLU A 35 7.043 -7.066 -5.677 1.00 0.00 C ATOM 509 CD GLU A 35 8.048 -7.025 -6.841 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.202 -6.581 -6.640 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.694 -7.457 -7.964 1.00 0.00 O ATOM 0 H GLU A 35 6.524 -6.469 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 35 5.624 -8.809 -4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.321 -7.440 -3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.020 -8.854 -4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.081 -7.433 -6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.879 -6.057 -5.298 1.00 0.00 H new ATOM 518 N GLY A 36 6.173 -10.612 -2.568 1.00 0.00 N ATOM 519 CA GLY A 36 6.492 -11.825 -1.801 1.00 0.00 C ATOM 520 C GLY A 36 7.262 -12.864 -2.626 1.00 0.00 C ATOM 521 O GLY A 36 7.938 -12.520 -3.597 1.00 0.00 O ATOM 0 H GLY A 36 5.293 -10.695 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.083 -11.552 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.568 -12.271 -1.434 1.00 0.00 H new ATOM 525 N ARG A 37 7.140 -14.141 -2.242 1.00 0.00 N ATOM 526 CA ARG A 37 7.808 -15.285 -2.887 1.00 0.00 C ATOM 527 C ARG A 37 7.513 -15.379 -4.397 1.00 0.00 C ATOM 528 O ARG A 37 8.432 -15.550 -5.199 1.00 0.00 O ATOM 529 CB ARG A 37 7.368 -16.577 -2.156 1.00 0.00 C ATOM 530 CG ARG A 37 7.961 -17.903 -2.677 1.00 0.00 C ATOM 531 CD ARG A 37 9.333 -18.279 -2.093 1.00 0.00 C ATOM 532 NE ARG A 37 10.369 -17.269 -2.345 1.00 0.00 N ATOM 533 CZ ARG A 37 11.022 -17.026 -3.472 1.00 0.00 C ATOM 534 NH1 ARG A 37 10.854 -17.751 -4.560 1.00 0.00 N ATOM 535 NH2 ARG A 37 11.865 -16.024 -3.506 1.00 0.00 N ATOM 0 H ARG A 37 6.558 -14.418 -1.452 1.00 0.00 H new ATOM 0 HA ARG A 37 8.886 -15.147 -2.806 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.629 -16.478 -1.102 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.281 -16.645 -2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.258 -18.707 -2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.050 -17.842 -3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.234 -18.427 -1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.652 -19.231 -2.518 1.00 0.00 H new ATOM 0 HE ARG A 37 10.618 -16.679 -1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.200 -18.534 -4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.378 -17.529 -5.407 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.008 -15.449 -2.676 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.379 -15.819 -4.363 1.00 0.00 H new ATOM 549 N ASN A 38 6.233 -15.273 -4.774 1.00 0.00 N ATOM 550 CA ASN A 38 5.736 -15.551 -6.134 1.00 0.00 C ATOM 551 C ASN A 38 5.166 -14.334 -6.902 1.00 0.00 C ATOM 552 O ASN A 38 4.939 -14.431 -8.110 1.00 0.00 O ATOM 553 CB ASN A 38 4.707 -16.695 -6.057 1.00 0.00 C ATOM 554 CG ASN A 38 5.312 -18.008 -5.564 1.00 0.00 C ATOM 555 OD1 ASN A 38 6.344 -18.463 -6.042 1.00 0.00 O ATOM 556 ND2 ASN A 38 4.696 -18.653 -4.588 1.00 0.00 N ATOM 0 H ASN A 38 5.495 -14.986 -4.131 1.00 0.00 H new ATOM 0 HA ASN A 38 6.605 -15.840 -6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.895 -16.402 -5.391 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.270 -16.850 -7.043 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.080 -19.529 -4.234 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.837 -18.275 -4.190 1.00 0.00 H new ATOM 563 N GLY A 39 4.942 -13.195 -6.234 1.00 0.00 N ATOM 564 CA GLY A 39 4.410 -11.958 -6.831 1.00 0.00 C ATOM 565 C GLY A 39 3.831 -10.991 -5.799 1.00 0.00 C ATOM 566 O GLY A 39 4.145 -11.089 -4.612 1.00 0.00 O ATOM 0 H GLY A 39 5.130 -13.104 -5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.206 -11.457 -7.382 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.635 -12.215 -7.553 1.00 0.00 H new ATOM 570 N TRP A 40 2.994 -10.053 -6.247 1.00 0.00 N ATOM 571 CA TRP A 40 2.272 -9.121 -5.379 1.00 0.00 C ATOM 572 C TRP A 40 1.232 -9.834 -4.498 1.00 0.00 C ATOM 573 O TRP A 40 0.353 -10.528 -5.011 1.00 0.00 O ATOM 574 CB TRP A 40 1.592 -8.056 -6.243 1.00 0.00 C ATOM 575 CG TRP A 40 2.533 -7.180 -7.003 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.831 -7.291 -8.315 1.00 0.00 C ATOM 577 CD2 TRP A 40 3.323 -6.059 -6.508 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.747 -6.320 -8.665 1.00 0.00 N ATOM 579 CE2 TRP A 40 4.064 -5.509 -7.595 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.480 -5.449 -5.246 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.891 -4.384 -7.445 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.309 -4.325 -5.085 1.00 0.00 C ATOM 583 CH2 TRP A 40 5.000 -3.781 -6.181 1.00 0.00 C ATOM 0 H TRP A 40 2.796 -9.918 -7.238 1.00 0.00 H new ATOM 0 HA TRP A 40 2.993 -8.656 -4.707 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.926 -8.551 -6.950 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.970 -7.430 -5.603 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.416 -8.027 -8.988 1.00 0.00 H new ATOM 0 HE1 TRP A 40 4.141 -6.215 -9.600 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.956 -5.851 -4.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.435 -3.988 -8.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.416 -3.875 -4.109 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.613 -2.901 -6.052 1.00 0.00 H new ATOM 594 N TRP A 41 1.297 -9.593 -3.185 1.00 0.00 N ATOM 595 CA TRP A 41 0.344 -10.096 -2.189 1.00 0.00 C ATOM 596 C TRP A 41 -0.145 -8.964 -1.282 1.00 0.00 C ATOM 597 O TRP A 41 0.609 -8.042 -0.969 1.00 0.00 O ATOM 598 CB TRP A 41 0.986 -11.232 -1.381 1.00 0.00 C ATOM 599 CG TRP A 41 1.414 -12.396 -2.217 1.00 0.00 C ATOM 600 CD1 TRP A 41 2.673 -12.872 -2.321 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.614 -13.185 -3.146 1.00 0.00 C ATOM 602 NE1 TRP A 41 2.716 -13.871 -3.273 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.480 -14.073 -3.849 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.754 -13.208 -3.493 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.022 -14.905 -4.881 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -1.227 -14.045 -4.516 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.344 -14.888 -5.218 1.00 0.00 C ATOM 0 H TRP A 41 2.037 -9.025 -2.773 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.530 -10.496 -2.703 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.852 -10.842 -0.847 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.277 -11.577 -0.629 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.519 -12.524 -1.746 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.557 -14.394 -3.519 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.448 -12.572 -2.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.708 -15.550 -5.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.277 -14.042 -4.767 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.714 -15.519 -6.012 1.00 0.00 H new ATOM 618 N GLN A 42 -1.421 -9.018 -0.896 1.00 0.00 N ATOM 619 CA GLN A 42 -2.070 -7.967 -0.109 1.00 0.00 C ATOM 620 C GLN A 42 -1.726 -8.110 1.386 1.00 0.00 C ATOM 621 O GLN A 42 -1.725 -9.217 1.929 1.00 0.00 O ATOM 622 CB GLN A 42 -3.590 -8.026 -0.355 1.00 0.00 C ATOM 623 CG GLN A 42 -4.299 -6.719 0.032 1.00 0.00 C ATOM 624 CD GLN A 42 -5.819 -6.832 -0.105 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.537 -7.129 0.841 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.378 -6.613 -1.278 1.00 0.00 N ATOM 0 H GLN A 42 -2.038 -9.798 -1.122 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.702 -6.990 -0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.777 -8.239 -1.408 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.016 -8.850 0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.045 -6.459 1.060 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.937 -5.908 -0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.799 -6.364 -2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.389 -6.692 -1.384 1.00 0.00 H new ATOM 635 N TYR A 43 -1.466 -6.989 2.064 1.00 0.00 N ATOM 636 CA TYR A 43 -1.326 -6.941 3.529 1.00 0.00 C ATOM 637 C TYR A 43 -2.651 -7.241 4.265 1.00 0.00 C ATOM 638 O TYR A 43 -3.744 -7.029 3.735 1.00 0.00 O ATOM 639 CB TYR A 43 -0.807 -5.559 3.952 1.00 0.00 C ATOM 640 CG TYR A 43 0.659 -5.307 3.671 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.645 -5.822 4.534 1.00 0.00 C ATOM 642 CD2 TYR A 43 1.036 -4.507 2.577 1.00 0.00 C ATOM 643 CE1 TYR A 43 3.000 -5.518 4.315 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.385 -4.195 2.350 1.00 0.00 C ATOM 645 CZ TYR A 43 3.370 -4.695 3.228 1.00 0.00 C ATOM 646 OH TYR A 43 4.675 -4.386 3.019 1.00 0.00 O ATOM 0 H TYR A 43 -1.345 -6.082 1.613 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.616 -7.719 3.810 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.395 -4.796 3.441 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.982 -5.434 5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.360 -6.451 5.365 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.280 -4.129 1.905 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.757 -5.913 4.977 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.667 -3.577 1.510 1.00 0.00 H new ATOM 0 HH TYR A 43 5.240 -5.118 3.343 1.00 0.00 H new ATOM 656 N ASP A 44 -2.554 -7.689 5.523 1.00 0.00 N ATOM 657 CA ASP A 44 -3.712 -7.846 6.415 1.00 0.00 C ATOM 658 C ASP A 44 -4.252 -6.477 6.862 1.00 0.00 C ATOM 659 O ASP A 44 -3.520 -5.488 6.897 1.00 0.00 O ATOM 660 CB ASP A 44 -3.325 -8.725 7.618 1.00 0.00 C ATOM 661 CG ASP A 44 -4.534 -9.425 8.259 1.00 0.00 C ATOM 662 OD1 ASP A 44 -5.403 -8.723 8.826 1.00 0.00 O ATOM 663 OD2 ASP A 44 -4.616 -10.672 8.194 1.00 0.00 O ATOM 0 H ASP A 44 -1.668 -7.954 5.953 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.515 -8.343 5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.605 -9.477 7.296 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.829 -8.109 8.368 1.00 0.00 H new ATOM 668 N GLU A 45 -5.526 -6.427 7.240 1.00 0.00 N ATOM 669 CA GLU A 45 -6.229 -5.194 7.625 1.00 0.00 C ATOM 670 C GLU A 45 -5.717 -4.574 8.942 1.00 0.00 C ATOM 671 O GLU A 45 -5.875 -3.371 9.160 1.00 0.00 O ATOM 672 CB GLU A 45 -7.750 -5.425 7.659 1.00 0.00 C ATOM 673 CG GLU A 45 -8.203 -6.524 8.631 1.00 0.00 C ATOM 674 CD GLU A 45 -9.736 -6.592 8.707 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.357 -7.299 7.878 1.00 0.00 O ATOM 676 OE2 GLU A 45 -10.331 -5.944 9.601 1.00 0.00 O ATOM 0 H GLU A 45 -6.117 -7.257 7.290 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.005 -4.457 6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.241 -4.491 7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.089 -5.682 6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.808 -7.487 8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.794 -6.329 9.622 1.00 0.00 H new ATOM 683 N ARG A 46 -5.036 -5.361 9.788 1.00 0.00 N ATOM 684 CA ARG A 46 -4.317 -4.861 10.977 1.00 0.00 C ATOM 685 C ARG A 46 -3.116 -3.990 10.586 1.00 0.00 C ATOM 686 O ARG A 46 -2.773 -3.024 11.273 1.00 0.00 O ATOM 687 CB ARG A 46 -3.787 -6.020 11.837 1.00 0.00 C ATOM 688 CG ARG A 46 -4.880 -6.788 12.581 1.00 0.00 C ATOM 689 CD ARG A 46 -5.599 -7.811 11.702 1.00 0.00 C ATOM 690 NE ARG A 46 -6.500 -8.684 12.469 1.00 0.00 N ATOM 691 CZ ARG A 46 -7.204 -9.689 11.958 1.00 0.00 C ATOM 692 NH1 ARG A 46 -7.134 -10.012 10.682 1.00 0.00 N ATOM 693 NH2 ARG A 46 -7.999 -10.392 12.736 1.00 0.00 N ATOM 0 H ARG A 46 -4.966 -6.372 9.668 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.039 -4.270 11.541 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.240 -6.713 11.198 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.075 -5.626 12.562 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.438 -7.299 13.436 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.609 -6.080 12.975 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.172 -7.288 10.936 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.860 -8.423 11.185 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.592 -8.505 13.469 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.526 -9.485 10.055 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.688 -10.789 10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.073 -10.165 13.728 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.541 -11.164 12.347 1.00 0.00 H new ATOM 707 N THR A 47 -2.482 -4.380 9.480 1.00 0.00 N ATOM 708 CA THR A 47 -1.205 -3.862 8.968 1.00 0.00 C ATOM 709 C THR A 47 -1.395 -2.760 7.936 1.00 0.00 C ATOM 710 O THR A 47 -0.808 -1.695 8.080 1.00 0.00 O ATOM 711 CB THR A 47 -0.382 -5.026 8.404 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.197 -5.960 9.446 1.00 0.00 O ATOM 713 CG2 THR A 47 0.987 -4.568 7.910 1.00 0.00 C ATOM 0 H THR A 47 -2.866 -5.109 8.879 1.00 0.00 H new ATOM 0 HA THR A 47 -0.664 -3.403 9.795 1.00 0.00 H new ATOM 0 HB THR A 47 -0.915 -5.457 7.556 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.326 -6.720 9.115 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.537 -5.423 7.519 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.860 -3.827 7.121 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.543 -4.126 8.737 1.00 0.00 H new ATOM 721 N SER A 48 -2.236 -2.958 6.924 1.00 0.00 N ATOM 722 CA SER A 48 -2.415 -1.986 5.833 1.00 0.00 C ATOM 723 C SER A 48 -2.979 -0.641 6.302 1.00 0.00 C ATOM 724 O SER A 48 -2.643 0.401 5.732 1.00 0.00 O ATOM 725 CB SER A 48 -3.299 -2.572 4.727 1.00 0.00 C ATOM 726 OG SER A 48 -4.611 -2.845 5.198 1.00 0.00 O ATOM 0 H SER A 48 -2.814 -3.793 6.831 1.00 0.00 H new ATOM 0 HA SER A 48 -1.418 -1.787 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.349 -1.873 3.892 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.849 -3.490 4.348 1.00 0.00 H new ATOM 0 HG SER A 48 -5.150 -3.216 4.468 1.00 0.00 H new ATOM 732 N ARG A 49 -3.745 -0.632 7.402 1.00 0.00 N ATOM 733 CA ARG A 49 -4.212 0.605 8.024 1.00 0.00 C ATOM 734 C ARG A 49 -3.058 1.456 8.560 1.00 0.00 C ATOM 735 O ARG A 49 -3.167 2.677 8.559 1.00 0.00 O ATOM 736 CB ARG A 49 -5.291 0.321 9.082 1.00 0.00 C ATOM 737 CG ARG A 49 -4.783 -0.249 10.421 1.00 0.00 C ATOM 738 CD ARG A 49 -4.215 0.751 11.448 1.00 0.00 C ATOM 739 NE ARG A 49 -5.067 1.941 11.643 1.00 0.00 N ATOM 740 CZ ARG A 49 -4.640 3.182 11.860 1.00 0.00 C ATOM 741 NH1 ARG A 49 -3.380 3.479 12.089 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.493 4.183 11.853 1.00 0.00 N ATOM 0 H ARG A 49 -4.054 -1.479 7.880 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.683 1.208 7.247 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.828 1.248 9.284 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.011 -0.380 8.660 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.606 -0.785 10.893 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.008 -0.984 10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.087 0.244 12.405 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.225 1.072 11.122 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.076 1.798 11.608 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.677 2.740 12.106 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.106 4.448 12.249 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.483 4.008 11.681 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.164 5.134 12.020 1.00 0.00 H new ATOM 756 N GLU A 50 -1.937 0.850 8.977 1.00 0.00 N ATOM 757 CA GLU A 50 -0.785 1.608 9.491 1.00 0.00 C ATOM 758 C GLU A 50 -0.105 2.371 8.347 1.00 0.00 C ATOM 759 O GLU A 50 0.309 3.519 8.505 1.00 0.00 O ATOM 760 CB GLU A 50 0.235 0.679 10.178 1.00 0.00 C ATOM 761 CG GLU A 50 -0.315 -0.121 11.369 1.00 0.00 C ATOM 762 CD GLU A 50 -0.474 0.745 12.629 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.380 1.610 12.659 1.00 0.00 O ATOM 764 OE2 GLU A 50 0.293 0.555 13.602 1.00 0.00 O ATOM 0 H GLU A 50 -1.803 -0.161 8.969 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.153 2.317 10.233 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.623 -0.021 9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.077 1.280 10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.281 -0.550 11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.355 -0.954 11.585 1.00 0.00 H new ATOM 771 N LEU A 51 -0.057 1.739 7.171 1.00 0.00 N ATOM 772 CA LEU A 51 0.510 2.273 5.937 1.00 0.00 C ATOM 773 C LEU A 51 -0.383 3.385 5.361 1.00 0.00 C ATOM 774 O LEU A 51 0.114 4.456 5.009 1.00 0.00 O ATOM 775 CB LEU A 51 0.686 1.105 4.941 1.00 0.00 C ATOM 776 CG LEU A 51 1.372 -0.164 5.493 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.367 -1.274 4.436 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.802 0.129 5.950 1.00 0.00 C ATOM 0 H LEU A 51 -0.431 0.797 7.052 1.00 0.00 H new ATOM 0 HA LEU A 51 1.482 2.726 6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.298 0.826 4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.264 1.465 4.090 1.00 0.00 H new ATOM 0 HG LEU A 51 0.806 -0.500 6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.854 -2.162 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.339 -1.515 4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.905 -0.936 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.256 -0.785 6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.385 0.498 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.785 0.883 6.737 1.00 0.00 H new ATOM 790 N GLU A 52 -1.700 3.151 5.325 1.00 0.00 N ATOM 791 CA GLU A 52 -2.709 4.131 4.906 1.00 0.00 C ATOM 792 C GLU A 52 -2.717 5.385 5.795 1.00 0.00 C ATOM 793 O GLU A 52 -2.845 6.500 5.291 1.00 0.00 O ATOM 794 CB GLU A 52 -4.094 3.461 4.904 1.00 0.00 C ATOM 795 CG GLU A 52 -5.244 4.354 4.400 1.00 0.00 C ATOM 796 CD GLU A 52 -5.872 5.292 5.450 1.00 0.00 C ATOM 797 OE1 GLU A 52 -6.116 4.862 6.602 1.00 0.00 O ATOM 798 OE2 GLU A 52 -6.224 6.443 5.095 1.00 0.00 O ATOM 0 H GLU A 52 -2.103 2.253 5.593 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.455 4.466 3.900 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.048 2.567 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.325 3.133 5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.873 4.960 3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.028 3.712 3.998 1.00 0.00 H new ATOM 805 N ASP A 53 -2.546 5.225 7.109 1.00 0.00 N ATOM 806 CA ASP A 53 -2.646 6.329 8.064 1.00 0.00 C ATOM 807 C ASP A 53 -1.412 7.230 7.968 1.00 0.00 C ATOM 808 O ASP A 53 -1.498 8.448 8.048 1.00 0.00 O ATOM 809 CB ASP A 53 -2.774 5.731 9.472 1.00 0.00 C ATOM 810 CG ASP A 53 -3.206 6.701 10.583 1.00 0.00 C ATOM 811 OD1 ASP A 53 -3.788 7.772 10.299 1.00 0.00 O ATOM 812 OD2 ASP A 53 -3.021 6.323 11.766 1.00 0.00 O ATOM 0 H ASP A 53 -2.334 4.325 7.541 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.519 6.942 7.841 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.493 4.913 9.433 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.813 5.298 9.749 1.00 0.00 H new ATOM 817 N ALA A 54 -0.255 6.612 7.740 1.00 0.00 N ATOM 818 CA ALA A 54 1.054 7.253 7.677 1.00 0.00 C ATOM 819 C ALA A 54 1.193 8.290 6.548 1.00 0.00 C ATOM 820 O ALA A 54 1.572 9.431 6.828 1.00 0.00 O ATOM 821 CB ALA A 54 2.085 6.131 7.585 1.00 0.00 C ATOM 0 H ALA A 54 -0.204 5.605 7.587 1.00 0.00 H new ATOM 0 HA ALA A 54 1.211 7.852 8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.086 6.560 7.535 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.007 5.492 8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.899 5.539 6.689 1.00 0.00 H new ATOM 827 N PHE A 55 0.835 7.946 5.303 1.00 0.00 N ATOM 828 CA PHE A 55 0.884 8.910 4.188 1.00 0.00 C ATOM 829 C PHE A 55 -0.201 9.996 4.317 1.00 0.00 C ATOM 830 O PHE A 55 -0.099 11.066 3.719 1.00 0.00 O ATOM 831 CB PHE A 55 0.833 8.188 2.824 1.00 0.00 C ATOM 832 CG PHE A 55 -0.538 8.040 2.192 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.342 6.928 2.494 1.00 0.00 C ATOM 834 CD2 PHE A 55 -1.003 9.009 1.282 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.600 6.779 1.883 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.265 8.867 0.679 1.00 0.00 C ATOM 837 CZ PHE A 55 -3.063 7.748 0.977 1.00 0.00 C ATOM 0 H PHE A 55 0.510 7.015 5.041 1.00 0.00 H new ATOM 0 HA PHE A 55 1.842 9.427 4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.474 8.728 2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.262 7.194 2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.993 6.186 3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.388 9.865 1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.211 5.918 2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.621 9.616 -0.012 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.030 7.634 0.510 1.00 0.00 H new ATOM 847 N SER A 56 -1.217 9.726 5.135 1.00 0.00 N ATOM 848 CA SER A 56 -2.294 10.661 5.477 1.00 0.00 C ATOM 849 C SER A 56 -1.911 11.617 6.631 1.00 0.00 C ATOM 850 O SER A 56 -2.339 12.773 6.660 1.00 0.00 O ATOM 851 CB SER A 56 -3.555 9.855 5.827 1.00 0.00 C ATOM 852 OG SER A 56 -4.727 10.650 5.701 1.00 0.00 O ATOM 0 H SER A 56 -1.319 8.821 5.594 1.00 0.00 H new ATOM 0 HA SER A 56 -2.483 11.296 4.612 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.629 8.988 5.171 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.477 9.478 6.847 1.00 0.00 H new ATOM 0 HG SER A 56 -5.514 10.111 5.928 1.00 0.00 H new ATOM 858 N LYS A 57 -1.048 11.173 7.558 1.00 0.00 N ATOM 859 CA LYS A 57 -0.500 11.980 8.660 1.00 0.00 C ATOM 860 C LYS A 57 0.564 12.966 8.161 1.00 0.00 C ATOM 861 O LYS A 57 0.581 14.128 8.579 1.00 0.00 O ATOM 862 CB LYS A 57 0.130 11.040 9.706 1.00 0.00 C ATOM 863 CG LYS A 57 -0.892 10.346 10.622 1.00 0.00 C ATOM 864 CD LYS A 57 -0.343 9.020 11.173 1.00 0.00 C ATOM 865 CE LYS A 57 1.015 9.144 11.885 1.00 0.00 C ATOM 866 NZ LYS A 57 0.859 9.528 13.315 1.00 0.00 N ATOM 0 H LYS A 57 -0.702 10.214 7.562 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.314 12.555 9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.715 10.279 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.824 11.612 10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.149 11.007 11.450 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.811 10.158 10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.069 8.602 11.870 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.246 8.311 10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.547 8.195 11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.626 9.888 11.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.797 9.601 13.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.374 10.446 13.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.297 8.806 13.809 1.00 0.00 H new ATOM 880 N GLY A 58 1.454 12.494 7.277 1.00 0.00 N ATOM 881 CA GLY A 58 2.559 13.270 6.709 1.00 0.00 C ATOM 882 C GLY A 58 3.935 12.640 6.907 1.00 0.00 C ATOM 883 O GLY A 58 4.908 13.142 6.344 1.00 0.00 O ATOM 0 H GLY A 58 1.422 11.536 6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.383 13.403 5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.559 14.263 7.158 1.00 0.00 H new ATOM 887 N LYS A 59 4.049 11.551 7.683 1.00 0.00 N ATOM 888 CA LYS A 59 5.311 10.821 7.796 1.00 0.00 C ATOM 889 C LYS A 59 5.725 10.169 6.467 1.00 0.00 C ATOM 890 O LYS A 59 4.905 9.775 5.637 1.00 0.00 O ATOM 891 CB LYS A 59 5.295 9.808 8.958 1.00 0.00 C ATOM 892 CG LYS A 59 4.044 8.929 9.004 1.00 0.00 C ATOM 893 CD LYS A 59 4.241 7.676 9.870 1.00 0.00 C ATOM 894 CE LYS A 59 4.738 7.949 11.297 1.00 0.00 C ATOM 895 NZ LYS A 59 4.949 6.681 12.050 1.00 0.00 N ATOM 0 H LYS A 59 3.285 11.162 8.236 1.00 0.00 H new ATOM 0 HA LYS A 59 6.077 11.559 8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.173 9.167 8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.380 10.350 9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.209 9.510 9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.777 8.629 7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.294 7.139 9.927 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.952 7.016 9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.671 8.510 11.258 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.014 8.571 11.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.364 6.686 12.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.680 5.873 11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.951 6.597 12.314 1.00 0.00 H new ATOM 909 N LYS A 60 7.040 10.032 6.297 1.00 0.00 N ATOM 910 CA LYS A 60 7.688 9.543 5.069 1.00 0.00 C ATOM 911 C LYS A 60 8.066 8.052 5.139 1.00 0.00 C ATOM 912 O LYS A 60 8.569 7.485 4.171 1.00 0.00 O ATOM 913 CB LYS A 60 8.865 10.486 4.751 1.00 0.00 C ATOM 914 CG LYS A 60 10.132 10.262 5.590 1.00 0.00 C ATOM 915 CD LYS A 60 11.174 11.376 5.414 1.00 0.00 C ATOM 916 CE LYS A 60 10.723 12.686 6.082 1.00 0.00 C ATOM 917 NZ LYS A 60 11.754 13.748 5.971 1.00 0.00 N ATOM 0 H LYS A 60 7.709 10.264 7.031 1.00 0.00 H new ATOM 0 HA LYS A 60 6.985 9.573 4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.123 10.376 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.533 11.515 4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.857 10.193 6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.579 9.307 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.124 11.057 5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.346 11.549 4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.797 13.029 5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.505 12.501 7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.411 14.614 6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.630 13.431 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.944 13.944 4.967 1.00 0.00 H new ATOM 931 N ASN A 61 7.802 7.414 6.283 1.00 0.00 N ATOM 932 CA ASN A 61 8.037 5.995 6.564 1.00 0.00 C ATOM 933 C ASN A 61 7.364 5.604 7.887 1.00 0.00 C ATOM 934 O ASN A 61 7.286 6.417 8.812 1.00 0.00 O ATOM 935 CB ASN A 61 9.536 5.629 6.588 1.00 0.00 C ATOM 936 CG ASN A 61 10.295 6.277 7.738 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.596 7.551 7.595 1.00 0.00 O flip ATOM 938 ND2 ASN A 61 10.601 5.659 8.750 1.00 0.00 N flip ATOM 0 H ASN A 61 7.396 7.901 7.082 1.00 0.00 H new ATOM 0 HA ASN A 61 7.593 5.427 5.746 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.638 4.546 6.659 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.992 5.931 5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.357 4.673 8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.100 6.131 9.504 1.00 0.00 H new ATOM 945 N THR A 62 6.888 4.362 7.969 1.00 0.00 N ATOM 946 CA THR A 62 6.241 3.786 9.165 1.00 0.00 C ATOM 947 C THR A 62 6.703 2.351 9.435 1.00 0.00 C ATOM 948 O THR A 62 7.537 1.830 8.705 1.00 0.00 O ATOM 949 CB THR A 62 4.722 3.963 9.069 1.00 0.00 C ATOM 950 OG1 THR A 62 4.200 3.870 10.375 1.00 0.00 O ATOM 951 CG2 THR A 62 4.049 2.935 8.157 1.00 0.00 C ATOM 0 H THR A 62 6.939 3.706 7.190 1.00 0.00 H new ATOM 0 HA THR A 62 6.561 4.335 10.051 1.00 0.00 H new ATOM 0 HB THR A 62 4.516 4.935 8.621 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.227 3.981 10.347 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.975 3.117 8.134 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.454 3.023 7.149 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.239 1.931 8.538 1.00 0.00 H new ATOM 959 N GLU A 63 6.202 1.725 10.498 1.00 0.00 N ATOM 960 CA GLU A 63 6.640 0.421 11.010 1.00 0.00 C ATOM 961 C GLU A 63 5.482 -0.581 11.110 1.00 0.00 C ATOM 962 O GLU A 63 4.331 -0.210 11.357 1.00 0.00 O ATOM 963 CB GLU A 63 7.279 0.614 12.393 1.00 0.00 C ATOM 964 CG GLU A 63 8.665 1.249 12.279 1.00 0.00 C ATOM 965 CD GLU A 63 9.277 1.506 13.660 1.00 0.00 C ATOM 966 OE1 GLU A 63 8.922 2.520 14.306 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.137 0.708 14.095 1.00 0.00 O ATOM 0 H GLU A 63 5.447 2.127 11.053 1.00 0.00 H new ATOM 0 HA GLU A 63 7.365 0.010 10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.637 1.244 13.008 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.358 -0.349 12.897 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.321 0.594 11.705 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.593 2.188 11.731 1.00 0.00 H new ATOM 974 N MET A 64 5.804 -1.868 10.945 1.00 0.00 N ATOM 975 CA MET A 64 4.845 -2.979 10.886 1.00 0.00 C ATOM 976 C MET A 64 5.486 -4.326 11.248 1.00 0.00 C ATOM 977 O MET A 64 6.665 -4.562 10.980 1.00 0.00 O ATOM 978 CB MET A 64 4.198 -3.050 9.489 1.00 0.00 C ATOM 979 CG MET A 64 5.236 -3.022 8.360 1.00 0.00 C ATOM 980 SD MET A 64 4.592 -3.333 6.703 1.00 0.00 S ATOM 981 CE MET A 64 6.178 -3.654 5.895 1.00 0.00 C ATOM 0 H MET A 64 6.771 -2.177 10.845 1.00 0.00 H new ATOM 0 HA MET A 64 4.075 -2.781 11.632 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.606 -3.962 9.412 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.511 -2.213 9.367 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.725 -2.048 8.364 1.00 0.00 H new ATOM 0 HG3 MET A 64 6.004 -3.765 8.578 1.00 0.00 H new ATOM 0 HE1 MET A 64 6.127 -3.337 4.853 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.965 -3.099 6.405 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.399 -4.720 5.939 1.00 0.00 H new ATOM 991 N LEU A 65 4.689 -5.215 11.842 1.00 0.00 N ATOM 992 CA LEU A 65 5.055 -6.580 12.227 1.00 0.00 C ATOM 993 C LEU A 65 4.470 -7.586 11.227 1.00 0.00 C ATOM 994 O LEU A 65 3.359 -7.408 10.723 1.00 0.00 O ATOM 995 CB LEU A 65 4.540 -6.846 13.661 1.00 0.00 C ATOM 996 CG LEU A 65 5.508 -7.565 14.620 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.929 -8.966 14.168 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.738 -6.693 14.883 1.00 0.00 C ATOM 0 H LEU A 65 3.722 -4.992 12.080 1.00 0.00 H new ATOM 0 HA LEU A 65 6.139 -6.697 12.213 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.266 -5.890 14.107 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.628 -7.438 13.591 1.00 0.00 H new ATOM 0 HG LEU A 65 4.950 -7.715 15.544 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.610 -9.396 14.903 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.047 -9.599 14.076 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.431 -8.901 13.203 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.414 -7.213 15.562 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.251 -6.494 13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.426 -5.750 15.332 1.00 0.00 H new ATOM 1010 N ILE A 66 5.216 -8.656 10.966 1.00 0.00 N ATOM 1011 CA ILE A 66 4.840 -9.742 10.034 1.00 0.00 C ATOM 1012 C ILE A 66 4.876 -11.129 10.710 1.00 0.00 C ATOM 1013 O ILE A 66 4.689 -11.234 11.922 1.00 0.00 O ATOM 1014 CB ILE A 66 5.672 -9.646 8.734 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.169 -9.948 8.971 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.458 -8.277 8.058 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.686 -11.103 8.104 1.00 0.00 C ATOM 0 H ILE A 66 6.125 -8.806 11.403 1.00 0.00 H new ATOM 0 HA ILE A 66 3.798 -9.611 9.744 1.00 0.00 H new ATOM 0 HB ILE A 66 5.314 -10.419 8.053 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.753 -9.052 8.761 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.324 -10.191 10.022 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.051 -8.226 7.145 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.403 -8.153 7.814 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.769 -7.483 8.737 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.743 -11.270 8.313 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.124 -12.009 8.331 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.560 -10.852 7.051 1.00 0.00 H new ATOM 1029 N ALA A 67 5.131 -12.203 9.953 1.00 0.00 N ATOM 1030 CA ALA A 67 5.232 -13.583 10.439 1.00 0.00 C ATOM 1031 C ALA A 67 6.313 -13.830 11.520 1.00 0.00 C ATOM 1032 O ALA A 67 6.255 -14.847 12.216 1.00 0.00 O ATOM 1033 CB ALA A 67 5.513 -14.470 9.217 1.00 0.00 C ATOM 0 H ALA A 67 5.278 -12.131 8.946 1.00 0.00 H new ATOM 0 HA ALA A 67 4.291 -13.819 10.936 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.596 -15.510 9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.697 -14.373 8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.446 -14.158 8.748 1.00 0.00 H new ATOM 1039 N GLY A 68 7.284 -12.919 11.675 1.00 0.00 N ATOM 1040 CA GLY A 68 8.356 -13.027 12.676 1.00 0.00 C ATOM 1041 C GLY A 68 9.381 -11.889 12.710 1.00 0.00 C ATOM 1042 O GLY A 68 10.460 -12.079 13.273 1.00 0.00 O ATOM 0 H GLY A 68 7.348 -12.077 11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.896 -13.100 13.661 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.890 -13.961 12.503 1.00 0.00 H new ATOM 1046 N PHE A 69 9.077 -10.728 12.111 1.00 0.00 N ATOM 1047 CA PHE A 69 10.028 -9.630 11.889 1.00 0.00 C ATOM 1048 C PHE A 69 9.341 -8.255 11.899 1.00 0.00 C ATOM 1049 O PHE A 69 8.177 -8.130 11.512 1.00 0.00 O ATOM 1050 CB PHE A 69 10.743 -9.825 10.537 1.00 0.00 C ATOM 1051 CG PHE A 69 11.627 -11.053 10.421 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.921 -11.035 10.974 1.00 0.00 C ATOM 1053 CD2 PHE A 69 11.174 -12.206 9.745 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.766 -12.150 10.834 1.00 0.00 C ATOM 1055 CE2 PHE A 69 12.020 -13.319 9.606 1.00 0.00 C ATOM 1056 CZ PHE A 69 13.317 -13.292 10.148 1.00 0.00 C ATOM 0 H PHE A 69 8.142 -10.522 11.760 1.00 0.00 H new ATOM 0 HA PHE A 69 10.746 -9.654 12.709 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.987 -9.871 9.753 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.353 -8.943 10.341 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.266 -10.162 11.508 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.176 -12.233 9.334 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.761 -12.129 11.254 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.673 -14.197 9.082 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.967 -14.147 10.038 1.00 0.00 H new ATOM 1066 N LEU A 70 10.090 -7.222 12.303 1.00 0.00 N ATOM 1067 CA LEU A 70 9.707 -5.817 12.155 1.00 0.00 C ATOM 1068 C LEU A 70 10.261 -5.324 10.814 1.00 0.00 C ATOM 1069 O LEU A 70 11.468 -5.385 10.564 1.00 0.00 O ATOM 1070 CB LEU A 70 10.267 -4.998 13.339 1.00 0.00 C ATOM 1071 CG LEU A 70 9.698 -3.577 13.583 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.747 -2.631 12.377 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.259 -3.628 14.109 1.00 0.00 C ATOM 0 H LEU A 70 10.998 -7.345 12.751 1.00 0.00 H new ATOM 0 HA LEU A 70 8.624 -5.698 12.163 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.112 -5.579 14.248 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.344 -4.906 13.200 1.00 0.00 H new ATOM 0 HG LEU A 70 10.371 -3.161 14.333 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.325 -1.665 12.655 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.782 -2.498 12.061 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.169 -3.057 11.557 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.894 -2.613 14.268 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.623 -4.133 13.381 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.235 -4.174 15.052 1.00 0.00 H new ATOM 1085 N TYR A 71 9.378 -4.798 9.976 1.00 0.00 N ATOM 1086 CA TYR A 71 9.723 -4.110 8.734 1.00 0.00 C ATOM 1087 C TYR A 71 9.349 -2.622 8.789 1.00 0.00 C ATOM 1088 O TYR A 71 8.250 -2.247 9.195 1.00 0.00 O ATOM 1089 CB TYR A 71 9.053 -4.805 7.545 1.00 0.00 C ATOM 1090 CG TYR A 71 9.527 -6.214 7.229 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.896 -6.556 7.236 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.582 -7.181 6.850 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.302 -7.866 6.912 1.00 0.00 C ATOM 1094 CE2 TYR A 71 8.979 -8.487 6.541 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.342 -8.843 6.581 1.00 0.00 C ATOM 1096 OH TYR A 71 10.725 -10.114 6.293 1.00 0.00 O ATOM 0 H TYR A 71 8.373 -4.838 10.144 1.00 0.00 H new ATOM 0 HA TYR A 71 10.804 -4.163 8.605 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.979 -4.840 7.731 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.204 -4.188 6.659 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.635 -5.811 7.491 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.537 -6.914 6.796 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.351 -8.122 6.917 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.238 -9.225 6.271 1.00 0.00 H new ATOM 0 HH TYR A 71 9.934 -10.655 6.088 1.00 0.00 H new ATOM 1106 N VAL A 72 10.280 -1.782 8.347 1.00 0.00 N ATOM 1107 CA VAL A 72 10.089 -0.354 8.105 1.00 0.00 C ATOM 1108 C VAL A 72 9.566 -0.217 6.678 1.00 0.00 C ATOM 1109 O VAL A 72 10.250 -0.600 5.731 1.00 0.00 O ATOM 1110 CB VAL A 72 11.405 0.441 8.280 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.161 1.955 8.169 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.081 0.136 9.627 1.00 0.00 C ATOM 0 H VAL A 72 11.230 -2.090 8.138 1.00 0.00 H new ATOM 0 HA VAL A 72 9.385 0.058 8.828 1.00 0.00 H new ATOM 0 HB VAL A 72 12.068 0.124 7.475 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.104 2.486 8.296 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.744 2.185 7.188 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.461 2.268 8.943 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.001 0.714 9.711 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.408 0.405 10.441 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.313 -0.927 9.685 1.00 0.00 H new ATOM 1122 N ALA A 73 8.347 0.294 6.525 1.00 0.00 N ATOM 1123 CA ALA A 73 7.744 0.630 5.243 1.00 0.00 C ATOM 1124 C ALA A 73 8.112 2.075 4.884 1.00 0.00 C ATOM 1125 O ALA A 73 7.677 3.018 5.542 1.00 0.00 O ATOM 1126 CB ALA A 73 6.230 0.413 5.340 1.00 0.00 C ATOM 0 H ALA A 73 7.734 0.491 7.316 1.00 0.00 H new ATOM 0 HA ALA A 73 8.119 -0.011 4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.765 0.661 4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.027 -0.630 5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.820 1.053 6.121 1.00 0.00 H new ATOM 1132 N ASP A 74 8.922 2.247 3.843 1.00 0.00 N ATOM 1133 CA ASP A 74 9.345 3.537 3.312 1.00 0.00 C ATOM 1134 C ASP A 74 8.331 4.041 2.279 1.00 0.00 C ATOM 1135 O ASP A 74 8.194 3.483 1.184 1.00 0.00 O ATOM 1136 CB ASP A 74 10.747 3.406 2.709 1.00 0.00 C ATOM 1137 CG ASP A 74 11.233 4.753 2.164 1.00 0.00 C ATOM 1138 OD1 ASP A 74 11.633 5.617 2.976 1.00 0.00 O ATOM 1139 OD2 ASP A 74 11.168 4.949 0.930 1.00 0.00 O ATOM 0 H ASP A 74 9.316 1.460 3.327 1.00 0.00 H new ATOM 0 HA ASP A 74 9.387 4.271 4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.441 3.043 3.467 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.736 2.667 1.908 1.00 0.00 H new ATOM 1144 N LEU A 75 7.628 5.116 2.646 1.00 0.00 N ATOM 1145 CA LEU A 75 6.586 5.742 1.833 1.00 0.00 C ATOM 1146 C LEU A 75 7.182 6.680 0.764 1.00 0.00 C ATOM 1147 O LEU A 75 6.510 6.956 -0.227 1.00 0.00 O ATOM 1148 CB LEU A 75 5.583 6.475 2.755 1.00 0.00 C ATOM 1149 CG LEU A 75 4.511 5.615 3.463 1.00 0.00 C ATOM 1150 CD1 LEU A 75 5.006 4.436 4.307 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.664 6.533 4.358 1.00 0.00 C ATOM 0 H LEU A 75 7.773 5.586 3.540 1.00 0.00 H new ATOM 0 HA LEU A 75 6.050 4.965 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.152 7.002 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.070 7.232 2.161 1.00 0.00 H new ATOM 0 HG LEU A 75 3.951 5.153 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.153 3.919 4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.563 3.745 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.655 4.804 5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.901 5.943 4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.305 7.012 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.184 7.296 3.746 1.00 0.00 H new ATOM 1163 N GLU A 76 8.440 7.120 0.915 1.00 0.00 N ATOM 1164 CA GLU A 76 9.140 7.957 -0.072 1.00 0.00 C ATOM 1165 C GLU A 76 9.323 7.245 -1.419 1.00 0.00 C ATOM 1166 O GLU A 76 8.977 7.784 -2.471 1.00 0.00 O ATOM 1167 CB GLU A 76 10.538 8.361 0.422 1.00 0.00 C ATOM 1168 CG GLU A 76 10.549 9.251 1.662 1.00 0.00 C ATOM 1169 CD GLU A 76 11.885 9.998 1.801 1.00 0.00 C ATOM 1170 OE1 GLU A 76 12.829 9.465 2.430 1.00 0.00 O ATOM 1171 OE2 GLU A 76 11.994 11.135 1.284 1.00 0.00 O ATOM 0 H GLU A 76 9.007 6.903 1.735 1.00 0.00 H new ATOM 0 HA GLU A 76 8.509 8.836 -0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.107 7.456 0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.056 8.880 -0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.732 9.970 1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.375 8.643 2.550 1.00 0.00 H new ATOM 1178 N ASN A 77 9.890 6.038 -1.390 1.00 0.00 N ATOM 1179 CA ASN A 77 10.266 5.248 -2.568 1.00 0.00 C ATOM 1180 C ASN A 77 9.276 4.098 -2.842 1.00 0.00 C ATOM 1181 O ASN A 77 9.415 3.389 -3.841 1.00 0.00 O ATOM 1182 CB ASN A 77 11.698 4.716 -2.366 1.00 0.00 C ATOM 1183 CG ASN A 77 12.732 5.827 -2.180 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.404 6.235 -3.120 1.00 0.00 O ATOM 1185 ND2 ASN A 77 12.901 6.344 -0.973 1.00 0.00 N ATOM 0 H ASN A 77 10.109 5.564 -0.514 1.00 0.00 H new ATOM 0 HA ASN A 77 10.230 5.891 -3.448 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.716 4.062 -1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.978 4.108 -3.227 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.590 7.081 -0.826 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.342 6.005 -0.190 1.00 0.00 H new ATOM 1192 N MET A 78 8.298 3.903 -1.946 1.00 0.00 N ATOM 1193 CA MET A 78 7.364 2.760 -1.911 1.00 0.00 C ATOM 1194 C MET A 78 8.129 1.423 -1.843 1.00 0.00 C ATOM 1195 O MET A 78 7.969 0.550 -2.699 1.00 0.00 O ATOM 1196 CB MET A 78 6.351 2.801 -3.073 1.00 0.00 C ATOM 1197 CG MET A 78 5.437 4.034 -3.103 1.00 0.00 C ATOM 1198 SD MET A 78 3.792 3.807 -2.372 1.00 0.00 S ATOM 1199 CE MET A 78 4.162 4.213 -0.652 1.00 0.00 C ATOM 0 H MET A 78 8.126 4.566 -1.190 1.00 0.00 H new ATOM 0 HA MET A 78 6.776 2.843 -0.997 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.900 2.753 -4.014 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.728 1.908 -3.022 1.00 0.00 H new ATOM 0 HG2 MET A 78 5.938 4.849 -2.580 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.314 4.348 -4.139 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.235 4.438 -0.124 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.655 3.365 -0.176 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.820 5.082 -0.617 1.00 0.00 H new ATOM 1209 N VAL A 79 8.944 1.249 -0.800 1.00 0.00 N ATOM 1210 CA VAL A 79 9.665 -0.011 -0.492 1.00 0.00 C ATOM 1211 C VAL A 79 9.498 -0.375 0.987 1.00 0.00 C ATOM 1212 O VAL A 79 8.924 0.390 1.757 1.00 0.00 O ATOM 1213 CB VAL A 79 11.170 0.031 -0.877 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.374 0.184 -2.390 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.949 1.115 -0.116 1.00 0.00 C ATOM 0 H VAL A 79 9.132 1.990 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 79 9.212 -0.786 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 79 11.577 -0.934 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.441 0.209 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.915 -0.659 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.911 1.111 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.994 1.097 -0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.522 2.093 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.885 0.925 0.955 1.00 0.00 H new ATOM 1225 N GLN A 80 10.021 -1.524 1.404 1.00 0.00 N ATOM 1226 CA GLN A 80 10.113 -1.935 2.803 1.00 0.00 C ATOM 1227 C GLN A 80 11.413 -2.704 3.058 1.00 0.00 C ATOM 1228 O GLN A 80 12.024 -3.201 2.115 1.00 0.00 O ATOM 1229 CB GLN A 80 8.845 -2.709 3.210 1.00 0.00 C ATOM 1230 CG GLN A 80 8.637 -4.049 2.477 1.00 0.00 C ATOM 1231 CD GLN A 80 9.359 -5.221 3.137 1.00 0.00 C ATOM 1232 OE1 GLN A 80 10.418 -5.674 2.731 1.00 0.00 O ATOM 1233 NE2 GLN A 80 8.789 -5.787 4.175 1.00 0.00 N ATOM 0 H GLN A 80 10.404 -2.216 0.760 1.00 0.00 H new ATOM 0 HA GLN A 80 10.159 -1.055 3.444 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.883 -2.901 4.282 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.977 -2.075 3.030 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.570 -4.268 2.432 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.985 -3.950 1.449 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.904 -5.425 4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.231 -6.588 4.625 1.00 0.00 H new ATOM 1242 N TYR A 81 11.848 -2.763 4.321 1.00 0.00 N ATOM 1243 CA TYR A 81 13.114 -3.368 4.773 1.00 0.00 C ATOM 1244 C TYR A 81 13.163 -3.562 6.303 1.00 0.00 C ATOM 1245 O TYR A 81 12.369 -2.962 7.031 1.00 0.00 O ATOM 1246 CB TYR A 81 14.301 -2.514 4.294 1.00 0.00 C ATOM 1247 CG TYR A 81 14.170 -1.010 4.469 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.304 -0.413 5.737 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.954 -0.197 3.339 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.249 0.987 5.875 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.916 1.201 3.462 1.00 0.00 C ATOM 1252 CZ TYR A 81 14.063 1.801 4.734 1.00 0.00 C ATOM 1253 OH TYR A 81 14.028 3.157 4.853 1.00 0.00 O ATOM 0 H TYR A 81 11.307 -2.374 5.093 1.00 0.00 H new ATOM 0 HA TYR A 81 13.180 -4.362 4.331 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.194 -2.843 4.826 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.465 -2.721 3.237 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.450 -1.033 6.609 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.816 -0.653 2.370 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.349 1.439 6.851 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.775 1.817 2.586 1.00 0.00 H new ATOM 0 HH TYR A 81 13.894 3.560 3.970 1.00 0.00 H new ATOM 1263 N ARG A 82 14.103 -4.364 6.819 1.00 0.00 N ATOM 1264 CA ARG A 82 14.339 -4.509 8.271 1.00 0.00 C ATOM 1265 C ARG A 82 14.990 -3.254 8.871 1.00 0.00 C ATOM 1266 O ARG A 82 15.765 -2.573 8.200 1.00 0.00 O ATOM 1267 CB ARG A 82 15.225 -5.733 8.567 1.00 0.00 C ATOM 1268 CG ARG A 82 14.514 -7.054 8.263 1.00 0.00 C ATOM 1269 CD ARG A 82 15.346 -8.262 8.717 1.00 0.00 C ATOM 1270 NE ARG A 82 14.610 -9.525 8.530 1.00 0.00 N ATOM 1271 CZ ARG A 82 14.475 -10.213 7.403 1.00 0.00 C ATOM 1272 NH1 ARG A 82 15.000 -9.838 6.259 1.00 0.00 N ATOM 1273 NH2 ARG A 82 13.795 -11.331 7.374 1.00 0.00 N ATOM 0 H ARG A 82 14.725 -4.934 6.245 1.00 0.00 H new ATOM 0 HA ARG A 82 13.363 -4.649 8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.138 -5.670 7.974 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.524 -5.717 9.615 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.546 -7.070 8.763 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.321 -7.126 7.193 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.278 -8.296 8.153 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.613 -8.147 9.768 1.00 0.00 H new ATOM 0 HE ARG A 82 14.155 -9.913 9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.545 -8.977 6.206 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.863 -10.408 5.424 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.360 -11.685 8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.701 -11.848 6.500 1.00 0.00 H new ATOM 1287 N ARG A 83 14.773 -3.001 10.169 1.00 0.00 N ATOM 1288 CA ARG A 83 15.482 -1.940 10.919 1.00 0.00 C ATOM 1289 C ARG A 83 17.017 -2.106 10.913 1.00 0.00 C ATOM 1290 O ARG A 83 17.744 -1.126 11.080 1.00 0.00 O ATOM 1291 CB ARG A 83 14.982 -1.882 12.374 1.00 0.00 C ATOM 1292 CG ARG A 83 13.562 -1.304 12.500 1.00 0.00 C ATOM 1293 CD ARG A 83 13.078 -1.261 13.959 1.00 0.00 C ATOM 1294 NE ARG A 83 13.959 -0.448 14.823 1.00 0.00 N ATOM 1295 CZ ARG A 83 13.742 0.777 15.293 1.00 0.00 C ATOM 1296 NH1 ARG A 83 12.618 1.433 15.100 1.00 0.00 N ATOM 1297 NH2 ARG A 83 14.686 1.375 15.988 1.00 0.00 N ATOM 0 H ARG A 83 14.103 -3.523 10.734 1.00 0.00 H new ATOM 0 HA ARG A 83 15.256 -1.007 10.403 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.998 -2.886 12.798 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.669 -1.275 12.964 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.544 -0.297 12.083 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.873 -1.906 11.908 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.067 -0.855 13.991 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.026 -2.277 14.351 1.00 0.00 H new ATOM 0 HE ARG A 83 14.843 -0.880 15.092 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.862 1.003 14.568 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.503 2.371 15.483 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.571 0.899 16.161 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.532 2.315 16.354 1.00 0.00 H new ATOM 1311 N ASN A 84 17.517 -3.328 10.695 1.00 0.00 N ATOM 1312 CA ASN A 84 18.949 -3.655 10.673 1.00 0.00 C ATOM 1313 C ASN A 84 19.711 -3.025 9.487 1.00 0.00 C ATOM 1314 O ASN A 84 20.875 -2.653 9.645 1.00 0.00 O ATOM 1315 CB ASN A 84 19.118 -5.185 10.646 1.00 0.00 C ATOM 1316 CG ASN A 84 18.434 -5.882 11.819 1.00 0.00 C ATOM 1317 OD1 ASN A 84 17.241 -6.162 11.778 1.00 0.00 O ATOM 1318 ND2 ASN A 84 19.153 -6.171 12.888 1.00 0.00 N ATOM 0 H ASN A 84 16.922 -4.139 10.524 1.00 0.00 H new ATOM 0 HA ASN A 84 19.385 -3.229 11.577 1.00 0.00 H new ATOM 0 HB2 ASN A 84 18.711 -5.573 9.712 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.181 -5.428 10.656 1.00 0.00 H new ATOM 0 HD21 ASN A 84 18.717 -6.630 13.687 1.00 0.00 H new ATOM 0 HD22 ASN A 84 20.145 -5.935 12.915 1.00 0.00 H new ATOM 1325 N GLU A 85 19.071 -2.898 8.315 1.00 0.00 N ATOM 1326 CA GLU A 85 19.655 -2.333 7.090 1.00 0.00 C ATOM 1327 C GLU A 85 18.592 -2.058 6.014 1.00 0.00 C ATOM 1328 O GLU A 85 17.691 -2.862 5.783 1.00 0.00 O ATOM 1329 CB GLU A 85 20.773 -3.231 6.514 1.00 0.00 C ATOM 1330 CG GLU A 85 20.363 -4.685 6.229 1.00 0.00 C ATOM 1331 CD GLU A 85 21.474 -5.425 5.475 1.00 0.00 C ATOM 1332 OE1 GLU A 85 22.384 -5.992 6.126 1.00 0.00 O ATOM 1333 OE2 GLU A 85 21.436 -5.446 4.222 1.00 0.00 O ATOM 0 H GLU A 85 18.103 -3.195 8.190 1.00 0.00 H new ATOM 0 HA GLU A 85 20.098 -1.380 7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 85 21.135 -2.784 5.588 1.00 0.00 H new ATOM 0 HB3 GLU A 85 21.609 -3.237 7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 85 20.149 -5.198 7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.445 -4.700 5.641 1.00 0.00 H new ATOM 1340 N HIS A 86 18.748 -0.948 5.290 1.00 0.00 N ATOM 1341 CA HIS A 86 17.973 -0.618 4.083 1.00 0.00 C ATOM 1342 C HIS A 86 18.418 -1.402 2.826 1.00 0.00 C ATOM 1343 O HIS A 86 17.751 -1.364 1.788 1.00 0.00 O ATOM 1344 CB HIS A 86 18.095 0.891 3.857 1.00 0.00 C ATOM 1345 CG HIS A 86 19.504 1.347 3.578 1.00 0.00 C ATOM 1346 ND1 HIS A 86 20.477 1.610 4.545 1.00 0.00 N ATOM 1347 CD2 HIS A 86 20.055 1.499 2.341 1.00 0.00 C ATOM 1348 CE1 HIS A 86 21.589 1.928 3.859 1.00 0.00 C ATOM 1349 NE2 HIS A 86 21.366 1.871 2.534 1.00 0.00 N ATOM 0 H HIS A 86 19.434 -0.232 5.530 1.00 0.00 H new ATOM 0 HA HIS A 86 16.936 -0.913 4.246 1.00 0.00 H new ATOM 0 HB2 HIS A 86 17.457 1.178 3.021 1.00 0.00 H new ATOM 0 HB3 HIS A 86 17.721 1.413 4.737 1.00 0.00 H new ATOM 0 HD2 HIS A 86 19.559 1.355 1.393 1.00 0.00 H new ATOM 0 HE1 HIS A 86 22.533 2.193 4.311 1.00 0.00 H new ATOM 0 HE2 HIS A 86 22.048 2.069 1.802 1.00 0.00 H new ATOM 1357 N GLY A 87 19.567 -2.081 2.919 1.00 0.00 N ATOM 1358 CA GLY A 87 20.230 -2.847 1.852 1.00 0.00 C ATOM 1359 C GLY A 87 19.308 -3.892 1.228 1.00 0.00 C ATOM 1360 O GLY A 87 18.952 -3.760 0.056 1.00 0.00 O ATOM 0 H GLY A 87 20.092 -2.114 3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 87 20.575 -2.162 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 87 21.113 -3.341 2.258 1.00 0.00 H new ATOM 1364 N ARG A 88 18.859 -4.884 2.011 1.00 0.00 N ATOM 1365 CA ARG A 88 17.792 -5.800 1.598 1.00 0.00 C ATOM 1366 C ARG A 88 16.442 -5.086 1.740 1.00 0.00 C ATOM 1367 O ARG A 88 15.833 -5.101 2.811 1.00 0.00 O ATOM 1368 CB ARG A 88 17.868 -7.129 2.383 1.00 0.00 C ATOM 1369 CG ARG A 88 17.103 -8.290 1.710 1.00 0.00 C ATOM 1370 CD ARG A 88 15.564 -8.213 1.764 1.00 0.00 C ATOM 1371 NE ARG A 88 14.928 -9.337 1.052 1.00 0.00 N ATOM 1372 CZ ARG A 88 14.754 -9.468 -0.257 1.00 0.00 C ATOM 1373 NH1 ARG A 88 15.096 -8.533 -1.121 1.00 0.00 N ATOM 1374 NH2 ARG A 88 14.214 -10.567 -0.727 1.00 0.00 N ATOM 0 H ARG A 88 19.225 -5.071 2.944 1.00 0.00 H new ATOM 0 HA ARG A 88 17.914 -6.074 0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 88 18.914 -7.413 2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.467 -6.973 3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.407 -8.340 0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 88 17.416 -9.223 2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.238 -8.212 2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 88 15.233 -7.272 1.325 1.00 0.00 H new ATOM 0 HE ARG A 88 14.582 -10.101 1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.514 -7.663 -0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.942 -8.680 -2.119 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.932 -11.311 -0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 88 14.076 -10.678 -1.731 1.00 0.00 H new ATOM 1388 N ARG A 89 15.970 -4.508 0.634 1.00 0.00 N ATOM 1389 CA ARG A 89 14.640 -3.902 0.492 1.00 0.00 C ATOM 1390 C ARG A 89 13.802 -4.599 -0.584 1.00 0.00 C ATOM 1391 O ARG A 89 14.346 -5.248 -1.481 1.00 0.00 O ATOM 1392 CB ARG A 89 14.738 -2.380 0.276 1.00 0.00 C ATOM 1393 CG ARG A 89 15.589 -1.947 -0.925 1.00 0.00 C ATOM 1394 CD ARG A 89 15.786 -0.428 -0.931 1.00 0.00 C ATOM 1395 NE ARG A 89 16.734 -0.010 -1.979 1.00 0.00 N ATOM 1396 CZ ARG A 89 18.062 -0.051 -1.914 1.00 0.00 C ATOM 1397 NH1 ARG A 89 18.702 -0.509 -0.856 1.00 0.00 N ATOM 1398 NH2 ARG A 89 18.776 0.375 -2.933 1.00 0.00 N ATOM 0 H ARG A 89 16.523 -4.446 -0.221 1.00 0.00 H new ATOM 0 HA ARG A 89 14.108 -4.053 1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.731 -1.981 0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.151 -1.927 1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.558 -2.444 -0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.106 -2.259 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.826 0.064 -1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.153 -0.104 0.043 1.00 0.00 H new ATOM 0 HE ARG A 89 16.330 0.348 -2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.177 -0.848 -0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.722 -0.524 -0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.311 0.734 -3.767 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.795 0.346 -2.889 1.00 0.00 H new ATOM 1412 N ARG A 90 12.479 -4.471 -0.467 1.00 0.00 N ATOM 1413 CA ARG A 90 11.466 -5.101 -1.325 1.00 0.00 C ATOM 1414 C ARG A 90 10.403 -4.067 -1.697 1.00 0.00 C ATOM 1415 O ARG A 90 10.031 -3.238 -0.869 1.00 0.00 O ATOM 1416 CB ARG A 90 10.805 -6.293 -0.599 1.00 0.00 C ATOM 1417 CG ARG A 90 11.807 -7.309 -0.022 1.00 0.00 C ATOM 1418 CD ARG A 90 11.128 -8.418 0.788 1.00 0.00 C ATOM 1419 NE ARG A 90 10.357 -9.331 -0.069 1.00 0.00 N ATOM 1420 CZ ARG A 90 10.406 -10.656 -0.050 1.00 0.00 C ATOM 1421 NH1 ARG A 90 11.163 -11.363 0.749 1.00 0.00 N ATOM 1422 NH2 ARG A 90 9.658 -11.341 -0.867 1.00 0.00 N ATOM 0 H ARG A 90 12.061 -3.897 0.265 1.00 0.00 H new ATOM 0 HA ARG A 90 11.950 -5.472 -2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.183 -5.912 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.142 -6.807 -1.295 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.374 -7.757 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.522 -6.787 0.614 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.884 -8.984 1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.466 -7.972 1.530 1.00 0.00 H new ATOM 0 HE ARG A 90 9.723 -8.903 -0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.773 -10.896 1.420 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.143 -12.382 0.701 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.038 -10.858 -1.517 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.692 -12.360 -0.856 1.00 0.00 H new ATOM 1436 N LYS A 91 9.913 -4.093 -2.934 1.00 0.00 N ATOM 1437 CA LYS A 91 8.894 -3.155 -3.422 1.00 0.00 C ATOM 1438 C LYS A 91 7.517 -3.350 -2.758 1.00 0.00 C ATOM 1439 O LYS A 91 7.059 -4.479 -2.556 1.00 0.00 O ATOM 1440 CB LYS A 91 8.795 -3.288 -4.957 1.00 0.00 C ATOM 1441 CG LYS A 91 9.651 -2.276 -5.738 1.00 0.00 C ATOM 1442 CD LYS A 91 9.107 -0.837 -5.678 1.00 0.00 C ATOM 1443 CE LYS A 91 7.778 -0.671 -6.431 1.00 0.00 C ATOM 1444 NZ LYS A 91 6.966 0.446 -5.885 1.00 0.00 N ATOM 0 H LYS A 91 10.212 -4.770 -3.636 1.00 0.00 H new ATOM 0 HA LYS A 91 9.206 -2.147 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.095 -4.296 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.753 -3.170 -5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.667 -2.289 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.711 -2.590 -6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.967 -0.549 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.846 -0.156 -6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.979 -0.491 -7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.208 -1.598 -6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.400 0.869 -6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.332 0.085 -5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.596 1.168 -5.480 1.00 0.00 H new ATOM 1458 N ILE A 92 6.834 -2.234 -2.482 1.00 0.00 N ATOM 1459 CA ILE A 92 5.420 -2.175 -2.064 1.00 0.00 C ATOM 1460 C ILE A 92 4.630 -1.252 -3.009 1.00 0.00 C ATOM 1461 O ILE A 92 5.222 -0.540 -3.826 1.00 0.00 O ATOM 1462 CB ILE A 92 5.261 -1.776 -0.572 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.741 -0.343 -0.309 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.992 -2.760 0.350 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.451 0.204 1.090 1.00 0.00 C ATOM 0 H ILE A 92 7.262 -1.310 -2.544 1.00 0.00 H new ATOM 0 HA ILE A 92 4.999 -3.178 -2.142 1.00 0.00 H new ATOM 0 HB ILE A 92 4.195 -1.819 -0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.817 -0.302 -0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.276 0.317 -1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.861 -2.452 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.581 -3.760 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.054 -2.768 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.832 1.222 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.375 0.204 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.939 -0.424 1.835 1.00 0.00 H new ATOM 1477 N LYS A 93 3.304 -1.244 -2.885 1.00 0.00 N ATOM 1478 CA LYS A 93 2.401 -0.331 -3.603 1.00 0.00 C ATOM 1479 C LYS A 93 1.063 -0.110 -2.870 1.00 0.00 C ATOM 1480 O LYS A 93 0.684 -0.890 -1.991 1.00 0.00 O ATOM 1481 CB LYS A 93 2.169 -0.817 -5.054 1.00 0.00 C ATOM 1482 CG LYS A 93 1.334 -2.108 -5.148 1.00 0.00 C ATOM 1483 CD LYS A 93 0.809 -2.361 -6.566 1.00 0.00 C ATOM 1484 CE LYS A 93 -0.025 -3.650 -6.589 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.889 -3.728 -7.796 1.00 0.00 N ATOM 0 H LYS A 93 2.810 -1.888 -2.267 1.00 0.00 H new ATOM 0 HA LYS A 93 2.897 0.639 -3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.668 -0.029 -5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.135 -0.984 -5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.943 -2.955 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.493 -2.045 -4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.201 -1.518 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.643 -2.444 -7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.640 -4.513 -6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.646 -3.697 -5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.211 -4.708 -7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.714 -3.106 -7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.348 -3.424 -8.631 1.00 0.00 H new ATOM 1499 N ARG A 94 0.335 0.920 -3.303 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.063 1.216 -2.956 1.00 0.00 C ATOM 1501 C ARG A 94 -1.978 0.814 -4.122 1.00 0.00 C ATOM 1502 O ARG A 94 -1.580 0.902 -5.285 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.201 2.722 -2.686 1.00 0.00 C ATOM 1504 CG ARG A 94 -0.668 3.114 -1.298 1.00 0.00 C ATOM 1505 CD ARG A 94 -0.300 4.601 -1.199 1.00 0.00 C ATOM 1506 NE ARG A 94 -1.401 5.487 -1.618 1.00 0.00 N ATOM 1507 CZ ARG A 94 -1.268 6.755 -1.992 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -0.125 7.395 -1.888 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -2.289 7.407 -2.496 1.00 0.00 N ATOM 0 H ARG A 94 0.724 1.613 -3.943 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.351 0.655 -2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.660 3.278 -3.452 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.250 3.009 -2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.421 2.880 -0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.210 2.511 -1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.022 4.835 -0.171 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.575 4.797 -1.819 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.342 5.094 -1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.694 6.918 -1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.057 8.369 -2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.190 6.941 -2.602 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.182 8.380 -2.782 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.210 0.409 -3.821 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.240 0.066 -4.808 1.00 0.00 C ATOM 1525 C ASP A 95 -5.664 0.284 -4.264 1.00 0.00 C ATOM 1526 O ASP A 95 -5.857 0.652 -3.105 1.00 0.00 O ATOM 1527 CB ASP A 95 -4.053 -1.385 -5.299 1.00 0.00 C ATOM 1528 CG ASP A 95 -4.107 -1.484 -6.829 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -5.107 -1.008 -7.414 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -3.156 -2.046 -7.427 1.00 0.00 O ATOM 0 H ASP A 95 -3.531 0.306 -2.858 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.119 0.742 -5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.096 -1.768 -4.944 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.829 -2.017 -4.867 1.00 0.00 H new ATOM 1535 N ILE A 96 -6.666 0.037 -5.111 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.100 0.211 -4.834 1.00 0.00 C ATOM 1537 C ILE A 96 -8.856 -1.052 -5.256 1.00 0.00 C ATOM 1538 O ILE A 96 -8.604 -1.628 -6.316 1.00 0.00 O ATOM 1539 CB ILE A 96 -8.652 1.443 -5.588 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -7.871 2.736 -5.277 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.151 1.672 -5.283 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.037 3.208 -3.835 1.00 0.00 C ATOM 0 H ILE A 96 -6.494 -0.307 -6.056 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.240 0.375 -3.766 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.526 1.216 -6.647 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.813 2.571 -5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.204 3.525 -5.951 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.504 2.546 -5.830 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.723 0.796 -5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.284 1.835 -4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.462 4.122 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.090 3.405 -3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.677 2.435 -3.156 1.00 0.00 H new ATOM 1554 N ILE A 97 -9.801 -1.470 -4.418 1.00 0.00 N ATOM 1555 CA ILE A 97 -10.711 -2.596 -4.705 1.00 0.00 C ATOM 1556 C ILE A 97 -11.946 -2.107 -5.477 1.00 0.00 C ATOM 1557 O ILE A 97 -12.469 -1.030 -5.198 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.119 -3.326 -3.412 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -9.920 -3.905 -2.640 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.121 -4.446 -3.719 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.302 -2.900 -1.666 1.00 0.00 C ATOM 0 H ILE A 97 -9.965 -1.038 -3.509 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.178 -3.311 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.583 -2.575 -2.773 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.241 -4.789 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.160 -4.231 -3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.398 -4.951 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.012 -4.021 -4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.666 -5.164 -4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.461 -3.363 -1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -8.953 -2.027 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.051 -2.593 -0.936 1.00 0.00 H new ATOM 1573 N ASP A 98 -12.440 -2.927 -6.411 1.00 0.00 N ATOM 1574 CA ASP A 98 -13.600 -2.612 -7.257 1.00 0.00 C ATOM 1575 C ASP A 98 -14.946 -3.160 -6.734 1.00 0.00 C ATOM 1576 O ASP A 98 -15.980 -2.532 -6.955 1.00 0.00 O ATOM 1577 CB ASP A 98 -13.301 -3.110 -8.679 1.00 0.00 C ATOM 1578 CG ASP A 98 -14.381 -2.714 -9.703 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -14.445 -1.519 -10.077 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -15.120 -3.611 -10.174 1.00 0.00 O ATOM 0 H ASP A 98 -12.039 -3.845 -6.605 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.736 -1.531 -7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.340 -2.710 -9.002 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.205 -4.196 -8.664 1.00 0.00 H new ATOM 1585 N ILE A 99 -14.913 -4.287 -6.005 1.00 0.00 N ATOM 1586 CA ILE A 99 -16.035 -5.009 -5.355 1.00 0.00 C ATOM 1587 C ILE A 99 -16.921 -5.763 -6.386 1.00 0.00 C ATOM 1588 O ILE A 99 -17.395 -5.150 -7.352 1.00 0.00 O ATOM 1589 CB ILE A 99 -16.886 -4.093 -4.429 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.049 -3.311 -3.387 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -18.007 -4.869 -3.711 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.403 -4.170 -2.291 1.00 0.00 C ATOM 0 H ILE A 99 -14.027 -4.763 -5.837 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.576 -5.760 -4.711 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.333 -3.364 -5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.263 -2.767 -3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -16.690 -2.568 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.573 -4.187 -3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.673 -5.314 -4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.569 -5.656 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -14.839 -3.530 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.180 -4.694 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.730 -4.896 -2.747 1.00 0.00 H new