USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 889 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 77 TYR OH : rot 30:sc= 0.731 USER MOD Set 1.2: A 120 ASN : amide:sc= 1.45 K(o=2.8,f=2.3) USER MOD Set 1.3: A 124 GLN : amide:sc= 0.621 K(o=2.8,f=2.3) USER MOD Set 2.1: A 44 THR OG1 : rot -170:sc= 0.691 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -174:sc= 1.97 (180deg=1.14) USER MOD Set 3.1: A 59 LYS NZ :NH3+ 155:sc= 2.12 (180deg=0.554) USER MOD Set 3.2: A 71 GLN : amide:sc= 0.977 K(o=3.1,f=-5.2) USER MOD Set 4.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0646 USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 2.37 (180deg=2.29) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -39:sc= 0.0217 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 164:sc= 1.09 USER MOD Single : A 51 SER OG : rot 169:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= 2.28 (180deg=1.82) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -34:sc= 0.0242 USER MOD Single : A 76 GLN : amide:sc= 0.353 K(o=0.35,f=-0.21) USER MOD Single : A 84 THR OG1 : rot -74:sc= 0.0111 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.00855 USER MOD Single : A 89 SER OG : rot -45:sc= 0.23 USER MOD Single : A 91 TYR OH : rot -30:sc= 0.114 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot -31:sc= 0.0806 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -140:sc= -0.0582 USER MOD Single : A 126 HIS : no HD1:sc= 0.669 K(o=1.2,f=-5.4!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -5.523 8.544 14.623 1.00 0.00 N ATOM 172 CA GLU A 8 -5.707 7.412 13.706 1.00 0.00 C ATOM 173 C GLU A 8 -5.755 6.105 14.517 1.00 0.00 C ATOM 174 O GLU A 8 -4.899 5.834 15.363 1.00 0.00 O ATOM 175 CB GLU A 8 -4.597 7.362 12.640 1.00 0.00 C ATOM 176 CG GLU A 8 -3.166 7.247 13.192 1.00 0.00 C ATOM 177 CD GLU A 8 -2.144 7.680 12.138 1.00 0.00 C ATOM 178 OE1 GLU A 8 -1.256 8.516 12.433 1.00 0.00 O ATOM 179 OE2 GLU A 8 -2.202 7.157 11.004 1.00 0.00 O ATOM 0 HA GLU A 8 -6.650 7.540 13.175 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.785 6.514 11.982 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.662 8.261 12.028 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.063 7.868 14.082 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.969 6.219 13.496 1.00 0.00 H new ATOM 186 N SER A 9 -6.779 5.297 14.267 1.00 0.00 N ATOM 187 CA SER A 9 -7.019 3.999 14.908 1.00 0.00 C ATOM 188 C SER A 9 -6.352 2.858 14.133 1.00 0.00 C ATOM 189 O SER A 9 -6.475 2.806 12.913 1.00 0.00 O ATOM 190 CB SER A 9 -8.526 3.749 15.012 1.00 0.00 C ATOM 191 OG SER A 9 -9.110 4.646 15.945 1.00 0.00 O ATOM 0 H SER A 9 -7.498 5.534 13.584 1.00 0.00 H new ATOM 0 HA SER A 9 -6.580 4.026 15.905 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.991 3.876 14.034 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.711 2.720 15.321 1.00 0.00 H new ATOM 0 HG SER A 9 -10.074 4.478 16.001 1.00 0.00 H new ATOM 197 N VAL A 10 -5.655 1.925 14.790 1.00 0.00 N ATOM 198 CA VAL A 10 -4.963 0.819 14.089 1.00 0.00 C ATOM 199 C VAL A 10 -5.947 -0.183 13.461 1.00 0.00 C ATOM 200 O VAL A 10 -6.949 -0.551 14.078 1.00 0.00 O ATOM 201 CB VAL A 10 -3.905 0.147 14.988 1.00 0.00 C ATOM 202 CG1 VAL A 10 -4.493 -0.601 16.191 1.00 0.00 C ATOM 203 CG2 VAL A 10 -3.012 -0.815 14.194 1.00 0.00 C ATOM 0 H VAL A 10 -5.550 1.907 15.804 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.420 1.258 13.252 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.311 0.975 15.374 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.686 -1.045 16.773 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.050 0.097 16.816 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.162 -1.387 15.839 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.280 -1.268 14.863 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.626 -1.596 13.746 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.494 -0.266 13.408 1.00 0.00 H new ATOM 213 N LEU A 11 -5.651 -0.631 12.233 1.00 0.00 N ATOM 214 CA LEU A 11 -6.435 -1.615 11.473 1.00 0.00 C ATOM 215 C LEU A 11 -5.642 -2.889 11.139 1.00 0.00 C ATOM 216 O LEU A 11 -6.168 -3.993 11.304 1.00 0.00 O ATOM 217 CB LEU A 11 -6.942 -0.992 10.160 1.00 0.00 C ATOM 218 CG LEU A 11 -7.917 0.191 10.272 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.370 0.555 8.859 1.00 0.00 C ATOM 220 CD2 LEU A 11 -9.151 -0.134 11.116 1.00 0.00 C ATOM 0 H LEU A 11 -4.829 -0.306 11.723 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.269 -1.900 12.114 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.076 -0.662 9.586 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.428 -1.776 9.580 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.399 1.013 10.765 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.065 1.394 8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.503 0.834 8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.865 -0.302 8.404 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.802 0.739 11.159 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.690 -0.968 10.666 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.841 -0.405 12.125 1.00 0.00 H new ATOM 232 N CYS A 12 -4.394 -2.755 10.672 1.00 0.00 N ATOM 233 CA CYS A 12 -3.537 -3.884 10.291 1.00 0.00 C ATOM 234 C CYS A 12 -2.057 -3.623 10.595 1.00 0.00 C ATOM 235 O CYS A 12 -1.586 -2.486 10.564 1.00 0.00 O ATOM 236 CB CYS A 12 -3.747 -4.229 8.806 1.00 0.00 C ATOM 237 SG CYS A 12 -3.172 -5.913 8.431 1.00 0.00 S ATOM 0 H CYS A 12 -3.946 -1.847 10.547 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.830 -4.740 10.898 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.804 -4.139 8.556 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.210 -3.512 8.185 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.368 -6.168 7.171 1.00 0.00 H new ATOM 243 N VAL A 13 -1.308 -4.697 10.834 1.00 0.00 N ATOM 244 CA VAL A 13 0.155 -4.701 10.913 1.00 0.00 C ATOM 245 C VAL A 13 0.673 -6.007 10.302 1.00 0.00 C ATOM 246 O VAL A 13 0.185 -7.086 10.649 1.00 0.00 O ATOM 247 CB VAL A 13 0.621 -4.457 12.367 1.00 0.00 C ATOM 248 CG1 VAL A 13 0.237 -5.562 13.360 1.00 0.00 C ATOM 249 CG2 VAL A 13 2.131 -4.215 12.464 1.00 0.00 C ATOM 0 H VAL A 13 -1.714 -5.621 10.983 1.00 0.00 H new ATOM 0 HA VAL A 13 0.581 -3.881 10.335 1.00 0.00 H new ATOM 0 HB VAL A 13 0.078 -3.556 12.655 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.606 -5.303 14.353 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.848 -5.662 13.391 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.680 -6.506 13.043 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.407 -4.049 13.505 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.664 -5.085 12.082 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.398 -3.338 11.874 1.00 0.00 H new ATOM 259 N LYS A 14 1.638 -5.924 9.374 1.00 0.00 N ATOM 260 CA LYS A 14 2.325 -7.105 8.802 1.00 0.00 C ATOM 261 C LYS A 14 3.849 -7.067 8.999 1.00 0.00 C ATOM 262 O LYS A 14 4.451 -6.002 8.840 1.00 0.00 O ATOM 263 CB LYS A 14 1.935 -7.372 7.331 1.00 0.00 C ATOM 264 CG LYS A 14 0.531 -7.968 7.164 1.00 0.00 C ATOM 265 CD LYS A 14 0.451 -9.419 7.669 1.00 0.00 C ATOM 266 CE LYS A 14 -0.927 -9.978 7.335 1.00 0.00 C ATOM 267 NZ LYS A 14 -1.053 -11.415 7.676 1.00 0.00 N ATOM 0 H LYS A 14 1.969 -5.037 8.994 1.00 0.00 H new ATOM 0 HA LYS A 14 1.964 -7.958 9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.992 -6.437 6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.664 -8.051 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.189 -7.356 7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.247 -7.935 6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.228 -10.025 7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.622 -9.455 8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.686 -9.412 7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.123 -9.841 6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.035 -11.723 7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.419 -11.973 7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.794 -11.559 8.673 1.00 0.00 H new ATOM 281 N PRO A 15 4.470 -8.219 9.333 1.00 0.00 N ATOM 282 CA PRO A 15 5.850 -8.308 9.825 1.00 0.00 C ATOM 283 C PRO A 15 6.925 -8.083 8.751 1.00 0.00 C ATOM 284 O PRO A 15 8.029 -7.644 9.075 1.00 0.00 O ATOM 285 CB PRO A 15 5.962 -9.720 10.420 1.00 0.00 C ATOM 286 CG PRO A 15 4.948 -10.536 9.616 1.00 0.00 C ATOM 287 CD PRO A 15 3.831 -9.530 9.410 1.00 0.00 C ATOM 0 HA PRO A 15 6.037 -7.513 10.547 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.971 -10.120 10.315 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.726 -9.726 11.484 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.363 -10.886 8.670 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.609 -11.417 10.161 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.276 -9.746 8.497 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.117 -9.567 10.233 1.00 0.00 H new ATOM 295 N ASP A 16 6.619 -8.380 7.485 1.00 0.00 N ATOM 296 CA ASP A 16 7.532 -8.231 6.348 1.00 0.00 C ATOM 297 C ASP A 16 6.767 -7.791 5.088 1.00 0.00 C ATOM 298 O ASP A 16 5.746 -8.388 4.730 1.00 0.00 O ATOM 299 CB ASP A 16 8.281 -9.550 6.111 1.00 0.00 C ATOM 300 CG ASP A 16 9.360 -9.388 5.033 1.00 0.00 C ATOM 301 OD1 ASP A 16 9.106 -9.738 3.859 1.00 0.00 O ATOM 302 OD2 ASP A 16 10.465 -8.898 5.366 1.00 0.00 O ATOM 0 H ASP A 16 5.704 -8.741 7.215 1.00 0.00 H new ATOM 0 HA ASP A 16 8.261 -7.453 6.576 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.740 -9.883 7.042 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.575 -10.323 5.809 1.00 0.00 H new ATOM 307 N VAL A 17 7.254 -6.743 4.419 1.00 0.00 N ATOM 308 CA VAL A 17 6.685 -6.198 3.179 1.00 0.00 C ATOM 309 C VAL A 17 7.789 -5.533 2.355 1.00 0.00 C ATOM 310 O VAL A 17 8.683 -4.890 2.917 1.00 0.00 O ATOM 311 CB VAL A 17 5.519 -5.227 3.480 1.00 0.00 C ATOM 312 CG1 VAL A 17 5.929 -3.955 4.230 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.779 -4.822 2.205 1.00 0.00 C ATOM 0 H VAL A 17 8.080 -6.233 4.733 1.00 0.00 H new ATOM 0 HA VAL A 17 6.266 -7.013 2.589 1.00 0.00 H new ATOM 0 HB VAL A 17 4.863 -5.797 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.050 -3.333 4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.372 -4.225 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.657 -3.402 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.967 -4.140 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.471 -4.327 1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.370 -5.710 1.724 1.00 0.00 H new ATOM 323 N SER A 18 7.729 -5.677 1.031 1.00 0.00 N ATOM 324 CA SER A 18 8.716 -5.132 0.094 1.00 0.00 C ATOM 325 C SER A 18 8.088 -4.093 -0.843 1.00 0.00 C ATOM 326 O SER A 18 6.933 -4.219 -1.251 1.00 0.00 O ATOM 327 CB SER A 18 9.385 -6.262 -0.694 1.00 0.00 C ATOM 328 OG SER A 18 9.911 -7.254 0.175 1.00 0.00 O ATOM 0 H SER A 18 6.977 -6.187 0.568 1.00 0.00 H new ATOM 0 HA SER A 18 9.484 -4.618 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.661 -6.715 -1.371 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.186 -5.854 -1.311 1.00 0.00 H new ATOM 0 HG SER A 18 10.331 -7.964 -0.355 1.00 0.00 H new ATOM 334 N VAL A 19 8.843 -3.048 -1.183 1.00 0.00 N ATOM 335 CA VAL A 19 8.384 -1.881 -1.953 1.00 0.00 C ATOM 336 C VAL A 19 9.208 -1.694 -3.223 1.00 0.00 C ATOM 337 O VAL A 19 10.432 -1.845 -3.239 1.00 0.00 O ATOM 338 CB VAL A 19 8.358 -0.614 -1.082 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.151 0.668 -1.900 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.222 -0.734 -0.059 1.00 0.00 C ATOM 0 H VAL A 19 9.827 -2.984 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 19 7.358 -2.070 -2.269 1.00 0.00 H new ATOM 0 HB VAL A 19 9.329 -0.538 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.141 1.529 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.963 0.776 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.201 0.611 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.197 0.161 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.271 -0.840 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.390 -1.608 0.570 1.00 0.00 H new ATOM 350 N TYR A 20 8.496 -1.337 -4.287 1.00 0.00 N ATOM 351 CA TYR A 20 8.948 -1.296 -5.671 1.00 0.00 C ATOM 352 C TYR A 20 8.491 0.036 -6.295 1.00 0.00 C ATOM 353 O TYR A 20 7.446 0.094 -6.935 1.00 0.00 O ATOM 354 CB TYR A 20 8.359 -2.520 -6.413 1.00 0.00 C ATOM 355 CG TYR A 20 8.618 -3.883 -5.783 1.00 0.00 C ATOM 356 CD1 TYR A 20 9.607 -4.738 -6.309 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.838 -4.319 -4.691 1.00 0.00 C ATOM 358 CE1 TYR A 20 9.815 -6.012 -5.746 1.00 0.00 C ATOM 359 CE2 TYR A 20 8.076 -5.575 -4.104 1.00 0.00 C ATOM 360 CZ TYR A 20 9.057 -6.431 -4.634 1.00 0.00 C ATOM 361 OH TYR A 20 9.274 -7.643 -4.054 1.00 0.00 O ATOM 0 H TYR A 20 7.522 -1.049 -4.198 1.00 0.00 H new ATOM 0 HA TYR A 20 10.034 -1.346 -5.743 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.281 -2.382 -6.498 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.760 -2.530 -7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.207 -4.415 -7.147 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.054 -3.685 -4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.559 -6.671 -6.168 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.502 -5.883 -3.242 1.00 0.00 H new ATOM 0 HH TYR A 20 8.659 -7.760 -3.300 1.00 0.00 H new ATOM 371 N ARG A 21 9.218 1.139 -6.063 1.00 0.00 N ATOM 372 CA ARG A 21 8.954 2.469 -6.668 1.00 0.00 C ATOM 373 C ARG A 21 8.763 2.381 -8.198 1.00 0.00 C ATOM 374 O ARG A 21 9.544 1.702 -8.870 1.00 0.00 O ATOM 375 CB ARG A 21 10.102 3.448 -6.344 1.00 0.00 C ATOM 376 CG ARG A 21 10.346 3.664 -4.838 1.00 0.00 C ATOM 377 CD ARG A 21 11.461 4.685 -4.563 1.00 0.00 C ATOM 378 NE ARG A 21 11.106 6.052 -5.002 1.00 0.00 N ATOM 379 CZ ARG A 21 10.484 6.986 -4.300 1.00 0.00 C ATOM 380 NH1 ARG A 21 10.301 8.176 -4.791 1.00 0.00 N ATOM 381 NH2 ARG A 21 10.029 6.787 -3.100 1.00 0.00 N ATOM 0 H ARG A 21 10.024 1.140 -5.438 1.00 0.00 H new ATOM 0 HA ARG A 21 8.025 2.839 -6.234 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.020 3.076 -6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.884 4.411 -6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.423 4.004 -4.369 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.607 2.712 -4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.682 4.697 -3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.371 4.369 -5.073 1.00 0.00 H new ATOM 0 HE ARG A 21 11.371 6.304 -5.954 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.638 8.399 -5.728 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.820 8.887 -4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.144 5.876 -2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.557 7.542 -2.602 1.00 0.00 H new ATOM 395 N ILE A 22 7.745 3.062 -8.744 1.00 0.00 N ATOM 396 CA ILE A 22 7.288 2.879 -10.145 1.00 0.00 C ATOM 397 C ILE A 22 7.364 4.158 -11.008 1.00 0.00 C ATOM 398 O ILE A 22 7.004 5.236 -10.525 1.00 0.00 O ATOM 399 CB ILE A 22 5.868 2.263 -10.209 1.00 0.00 C ATOM 400 CG1 ILE A 22 4.757 3.203 -9.687 1.00 0.00 C ATOM 401 CG2 ILE A 22 5.851 0.931 -9.464 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.398 2.527 -9.479 1.00 0.00 C ATOM 0 H ILE A 22 7.208 3.760 -8.230 1.00 0.00 H new ATOM 0 HA ILE A 22 7.998 2.176 -10.581 1.00 0.00 H new ATOM 0 HB ILE A 22 5.641 2.101 -11.263 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.081 3.637 -8.741 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.635 4.026 -10.391 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.851 0.501 -9.511 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.563 0.247 -9.926 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.128 1.093 -8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.679 3.260 -9.112 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.047 2.117 -10.426 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.500 1.722 -8.751 1.00 0.00 H new ATOM 414 N PRO A 23 7.772 4.059 -12.293 1.00 0.00 N ATOM 415 CA PRO A 23 7.684 5.170 -13.244 1.00 0.00 C ATOM 416 C PRO A 23 6.272 5.527 -13.781 1.00 0.00 C ATOM 417 O PRO A 23 5.997 6.729 -13.883 1.00 0.00 O ATOM 418 CB PRO A 23 8.692 4.862 -14.357 1.00 0.00 C ATOM 419 CG PRO A 23 8.982 3.364 -14.258 1.00 0.00 C ATOM 420 CD PRO A 23 8.583 2.973 -12.835 1.00 0.00 C ATOM 0 HA PRO A 23 7.926 6.089 -12.711 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.284 5.117 -15.335 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.604 5.445 -14.230 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.410 2.802 -14.996 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.035 3.153 -14.444 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.021 2.039 -12.837 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.468 2.811 -12.219 1.00 0.00 H new ATOM 428 N PRO A 24 5.359 4.590 -14.135 1.00 0.00 N ATOM 429 CA PRO A 24 4.043 4.932 -14.692 1.00 0.00 C ATOM 430 C PRO A 24 3.041 5.433 -13.637 1.00 0.00 C ATOM 431 O PRO A 24 3.157 5.136 -12.445 1.00 0.00 O ATOM 432 CB PRO A 24 3.540 3.655 -15.378 1.00 0.00 C ATOM 433 CG PRO A 24 4.174 2.551 -14.538 1.00 0.00 C ATOM 434 CD PRO A 24 5.538 3.147 -14.202 1.00 0.00 C ATOM 0 HA PRO A 24 4.137 5.765 -15.388 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.452 3.594 -15.372 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.856 3.603 -16.420 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.592 2.335 -13.642 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.263 1.617 -15.093 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.907 2.758 -13.253 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.273 2.883 -14.962 1.00 0.00 H new ATOM 525 N GLY A 30 -4.004 -1.122 -15.583 1.00 0.00 N ATOM 526 CA GLY A 30 -3.929 -0.428 -14.296 1.00 0.00 C ATOM 527 C GLY A 30 -2.519 0.077 -14.005 1.00 0.00 C ATOM 528 O GLY A 30 -2.214 1.248 -14.231 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.623 0.412 -14.295 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.245 -1.103 -13.500 1.00 0.00 H new ATOM 532 N TYR A 31 -1.644 -0.835 -13.579 1.00 0.00 N ATOM 533 CA TYR A 31 -0.205 -0.594 -13.394 1.00 0.00 C ATOM 534 C TYR A 31 0.694 -1.762 -13.809 1.00 0.00 C ATOM 535 O TYR A 31 1.821 -1.504 -14.220 1.00 0.00 O ATOM 536 CB TYR A 31 0.082 -0.303 -11.921 1.00 0.00 C ATOM 537 CG TYR A 31 -0.375 1.053 -11.457 1.00 0.00 C ATOM 538 CD1 TYR A 31 0.489 2.155 -11.603 1.00 0.00 C ATOM 539 CD2 TYR A 31 -1.629 1.196 -10.840 1.00 0.00 C ATOM 540 CE1 TYR A 31 0.104 3.409 -11.095 1.00 0.00 C ATOM 541 CE2 TYR A 31 -2.020 2.449 -10.340 1.00 0.00 C ATOM 542 CZ TYR A 31 -1.150 3.557 -10.452 1.00 0.00 C ATOM 543 OH TYR A 31 -1.519 4.748 -9.907 1.00 0.00 O ATOM 0 H TYR A 31 -1.920 -1.789 -13.346 1.00 0.00 H new ATOM 0 HA TYR A 31 0.028 0.250 -14.043 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.403 -1.065 -11.311 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.155 -0.391 -11.748 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.440 2.038 -12.101 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.289 0.346 -10.751 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.764 4.258 -11.195 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.985 2.566 -9.870 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.411 4.664 -9.510 1.00 0.00 H new ATOM 553 N ARG A 32 0.208 -3.008 -13.677 1.00 0.00 N ATOM 554 CA ARG A 32 0.898 -4.301 -13.809 1.00 0.00 C ATOM 555 C ARG A 32 2.273 -4.381 -13.109 1.00 0.00 C ATOM 556 O ARG A 32 3.253 -3.832 -13.602 1.00 0.00 O ATOM 557 CB ARG A 32 0.972 -4.762 -15.286 1.00 0.00 C ATOM 558 CG ARG A 32 -0.011 -4.184 -16.327 1.00 0.00 C ATOM 559 CD ARG A 32 0.510 -2.965 -17.111 1.00 0.00 C ATOM 560 NE ARG A 32 1.547 -3.276 -18.116 1.00 0.00 N ATOM 561 CZ ARG A 32 1.436 -3.885 -19.280 1.00 0.00 C ATOM 562 NH1 ARG A 32 2.467 -3.897 -20.068 1.00 0.00 N ATOM 563 NH2 ARG A 32 0.343 -4.466 -19.684 1.00 0.00 N ATOM 0 H ARG A 32 -0.777 -3.148 -13.453 1.00 0.00 H new ATOM 0 HA ARG A 32 0.273 -5.007 -13.262 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.981 -4.551 -15.641 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.852 -5.845 -15.294 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.268 -4.970 -17.037 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.932 -3.902 -15.817 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.331 -2.486 -17.613 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.914 -2.241 -16.404 1.00 0.00 H new ATOM 0 HE ARG A 32 2.491 -2.974 -17.873 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.334 -3.443 -19.781 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.410 -4.361 -20.975 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.485 -4.465 -19.089 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.315 -4.922 -20.596 1.00 0.00 H new ATOM 577 N ALA A 33 2.402 -5.173 -12.037 1.00 0.00 N ATOM 578 CA ALA A 33 3.692 -5.403 -11.354 1.00 0.00 C ATOM 579 C ALA A 33 4.803 -5.922 -12.289 1.00 0.00 C ATOM 580 O ALA A 33 5.985 -5.699 -12.037 1.00 0.00 O ATOM 581 CB ALA A 33 3.491 -6.377 -10.183 1.00 0.00 C ATOM 0 H ALA A 33 1.620 -5.674 -11.615 1.00 0.00 H new ATOM 0 HA ALA A 33 4.029 -4.433 -10.989 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.444 -6.545 -9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.778 -5.953 -9.476 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.108 -7.325 -10.560 1.00 0.00 H new ATOM 587 N SER A 34 4.413 -6.586 -13.383 1.00 0.00 N ATOM 588 CA SER A 34 5.301 -7.116 -14.423 1.00 0.00 C ATOM 589 C SER A 34 5.818 -6.054 -15.417 1.00 0.00 C ATOM 590 O SER A 34 6.735 -6.338 -16.190 1.00 0.00 O ATOM 591 CB SER A 34 4.546 -8.237 -15.150 1.00 0.00 C ATOM 592 OG SER A 34 5.436 -9.101 -15.831 1.00 0.00 O ATOM 0 H SER A 34 3.430 -6.776 -13.575 1.00 0.00 H new ATOM 0 HA SER A 34 6.203 -7.493 -13.940 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.960 -8.809 -14.431 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.843 -7.803 -15.861 1.00 0.00 H new ATOM 0 HG SER A 34 6.160 -8.576 -16.231 1.00 0.00 H new ATOM 598 N ASP A 35 5.259 -4.836 -15.425 1.00 0.00 N ATOM 599 CA ASP A 35 5.730 -3.718 -16.260 1.00 0.00 C ATOM 600 C ASP A 35 6.988 -3.044 -15.677 1.00 0.00 C ATOM 601 O ASP A 35 7.921 -2.691 -16.403 1.00 0.00 O ATOM 602 CB ASP A 35 4.595 -2.695 -16.392 1.00 0.00 C ATOM 603 CG ASP A 35 4.763 -1.829 -17.643 1.00 0.00 C ATOM 604 OD1 ASP A 35 4.236 -2.248 -18.701 1.00 0.00 O ATOM 605 OD2 ASP A 35 5.382 -0.742 -17.569 1.00 0.00 O ATOM 0 H ASP A 35 4.456 -4.595 -14.844 1.00 0.00 H new ATOM 0 HA ASP A 35 6.008 -4.111 -17.238 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.638 -3.215 -16.434 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.573 -2.058 -15.508 1.00 0.00 H new ATOM 610 N TRP A 36 7.013 -2.915 -14.349 1.00 0.00 N ATOM 611 CA TRP A 36 8.125 -2.441 -13.518 1.00 0.00 C ATOM 612 C TRP A 36 8.859 -3.635 -12.863 1.00 0.00 C ATOM 613 O TRP A 36 8.686 -4.787 -13.274 1.00 0.00 O ATOM 614 CB TRP A 36 7.599 -1.369 -12.531 1.00 0.00 C ATOM 615 CG TRP A 36 6.140 -1.394 -12.174 1.00 0.00 C ATOM 616 CD1 TRP A 36 5.153 -0.837 -12.913 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.479 -1.956 -10.995 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.937 -1.059 -12.313 1.00 0.00 N ATOM 619 CE2 TRP A 36 4.078 -1.697 -11.102 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.916 -2.614 -9.824 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.167 -2.059 -10.102 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.007 -2.984 -8.812 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.635 -2.701 -8.943 1.00 0.00 C ATOM 0 H TRP A 36 6.199 -3.156 -13.784 1.00 0.00 H new ATOM 0 HA TRP A 36 8.887 -1.948 -14.122 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.170 -1.457 -11.607 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.823 -0.389 -12.952 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.299 -0.298 -13.837 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.041 -0.785 -12.715 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.965 -2.838 -9.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.115 -1.847 -10.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.367 -3.489 -7.928 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.946 -2.975 -8.158 1.00 0.00 H new ATOM 634 N LYS A 37 9.722 -3.383 -11.869 1.00 0.00 N ATOM 635 CA LYS A 37 10.374 -4.434 -11.072 1.00 0.00 C ATOM 636 C LYS A 37 9.356 -5.217 -10.246 1.00 0.00 C ATOM 637 O LYS A 37 8.664 -4.690 -9.378 1.00 0.00 O ATOM 638 CB LYS A 37 11.494 -3.835 -10.206 1.00 0.00 C ATOM 639 CG LYS A 37 12.779 -3.635 -11.025 1.00 0.00 C ATOM 640 CD LYS A 37 13.843 -2.861 -10.235 1.00 0.00 C ATOM 641 CE LYS A 37 15.231 -3.092 -10.843 1.00 0.00 C ATOM 642 NZ LYS A 37 16.266 -2.253 -10.184 1.00 0.00 N ATOM 0 H LYS A 37 9.990 -2.438 -11.593 1.00 0.00 H new ATOM 0 HA LYS A 37 10.835 -5.149 -11.753 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.169 -2.879 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.696 -4.493 -9.361 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.178 -4.606 -11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.545 -3.097 -11.943 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.608 -1.797 -10.242 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.837 -3.182 -9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.500 -4.144 -10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.204 -2.866 -11.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.192 -2.436 -10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.022 -1.248 -10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.309 -2.487 -9.172 1.00 0.00 H new ATOM 656 N LEU A 38 9.331 -6.504 -10.559 1.00 0.00 N ATOM 657 CA LEU A 38 8.382 -7.510 -10.110 1.00 0.00 C ATOM 658 C LEU A 38 8.914 -8.322 -8.909 1.00 0.00 C ATOM 659 O LEU A 38 8.133 -8.765 -8.067 1.00 0.00 O ATOM 660 CB LEU A 38 8.146 -8.359 -11.377 1.00 0.00 C ATOM 661 CG LEU A 38 7.252 -9.576 -11.178 1.00 0.00 C ATOM 662 CD1 LEU A 38 5.800 -9.201 -10.888 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.276 -10.463 -12.423 1.00 0.00 C ATOM 0 H LEU A 38 10.031 -6.903 -11.184 1.00 0.00 H new ATOM 0 HA LEU A 38 7.454 -7.088 -9.723 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.704 -7.724 -12.145 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.111 -8.694 -11.757 1.00 0.00 H new ATOM 0 HG LEU A 38 7.650 -10.107 -10.314 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.210 -10.108 -10.755 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.754 -8.601 -9.979 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.399 -8.626 -11.723 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.632 -11.329 -12.266 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.917 -9.895 -13.281 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.296 -10.799 -12.611 1.00 0.00 H new ATOM 675 N ASP A 39 10.237 -8.512 -8.821 1.00 0.00 N ATOM 676 CA ASP A 39 10.904 -9.298 -7.765 1.00 0.00 C ATOM 677 C ASP A 39 12.233 -8.674 -7.263 1.00 0.00 C ATOM 678 O ASP A 39 12.978 -9.300 -6.510 1.00 0.00 O ATOM 679 CB ASP A 39 11.077 -10.744 -8.269 1.00 0.00 C ATOM 680 CG ASP A 39 11.284 -11.757 -7.126 1.00 0.00 C ATOM 681 OD1 ASP A 39 10.399 -11.859 -6.240 1.00 0.00 O ATOM 682 OD2 ASP A 39 12.296 -12.499 -7.146 1.00 0.00 O ATOM 0 H ASP A 39 10.892 -8.116 -9.496 1.00 0.00 H new ATOM 0 HA ASP A 39 10.268 -9.294 -6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.198 -11.030 -8.846 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.930 -10.788 -8.946 1.00 0.00 H new ATOM 687 N GLN A 40 12.524 -7.425 -7.658 1.00 0.00 N ATOM 688 CA GLN A 40 13.693 -6.633 -7.235 1.00 0.00 C ATOM 689 C GLN A 40 13.248 -5.359 -6.477 1.00 0.00 C ATOM 690 O GLN A 40 13.025 -4.324 -7.111 1.00 0.00 O ATOM 691 CB GLN A 40 14.554 -6.298 -8.468 1.00 0.00 C ATOM 692 CG GLN A 40 15.233 -7.534 -9.077 1.00 0.00 C ATOM 693 CD GLN A 40 16.136 -7.152 -10.248 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.331 -6.931 -10.104 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.605 -7.029 -11.447 1.00 0.00 N ATOM 0 H GLN A 40 11.926 -6.916 -8.309 1.00 0.00 H new ATOM 0 HA GLN A 40 14.298 -7.217 -6.542 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.928 -5.824 -9.224 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.317 -5.573 -8.186 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.821 -8.042 -8.313 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.474 -8.239 -9.416 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.611 -7.209 -11.585 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.188 -6.753 -12.237 1.00 0.00 H new ATOM 704 N PRO A 41 13.066 -5.402 -5.142 1.00 0.00 N ATOM 705 CA PRO A 41 12.598 -4.252 -4.366 1.00 0.00 C ATOM 706 C PRO A 41 13.678 -3.177 -4.165 1.00 0.00 C ATOM 707 O PRO A 41 14.880 -3.441 -4.243 1.00 0.00 O ATOM 708 CB PRO A 41 12.112 -4.829 -3.037 1.00 0.00 C ATOM 709 CG PRO A 41 12.994 -6.063 -2.849 1.00 0.00 C ATOM 710 CD PRO A 41 13.202 -6.569 -4.278 1.00 0.00 C ATOM 0 HA PRO A 41 11.803 -3.729 -4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.235 -4.118 -2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.055 -5.092 -3.075 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.940 -5.812 -2.370 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.509 -6.812 -2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.185 -7.025 -4.391 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.466 -7.331 -4.533 1.00 0.00 H new ATOM 718 N ASP A 42 13.233 -1.958 -3.857 1.00 0.00 N ATOM 719 CA ASP A 42 14.080 -0.807 -3.507 1.00 0.00 C ATOM 720 C ASP A 42 14.150 -0.575 -1.984 1.00 0.00 C ATOM 721 O ASP A 42 15.137 -0.038 -1.476 1.00 0.00 O ATOM 722 CB ASP A 42 13.542 0.428 -4.243 1.00 0.00 C ATOM 723 CG ASP A 42 14.441 1.661 -4.042 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.003 2.624 -3.371 1.00 0.00 O ATOM 725 OD2 ASP A 42 15.572 1.677 -4.584 1.00 0.00 O ATOM 0 H ASP A 42 12.238 -1.733 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 42 15.104 -1.008 -3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.462 0.208 -5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.536 0.652 -3.887 1.00 0.00 H new ATOM 730 N TRP A 43 13.126 -1.025 -1.252 1.00 0.00 N ATOM 731 CA TRP A 43 13.028 -0.980 0.209 1.00 0.00 C ATOM 732 C TRP A 43 12.254 -2.197 0.727 1.00 0.00 C ATOM 733 O TRP A 43 11.322 -2.657 0.066 1.00 0.00 O ATOM 734 CB TRP A 43 12.323 0.324 0.617 1.00 0.00 C ATOM 735 CG TRP A 43 12.021 0.503 2.077 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.790 1.186 2.956 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.850 0.059 2.837 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.181 1.200 4.196 1.00 0.00 N ATOM 739 CE2 TRP A 43 10.967 0.549 4.173 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.692 -0.694 2.538 1.00 0.00 C ATOM 741 CZ2 TRP A 43 9.969 0.349 5.137 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.691 -0.922 3.503 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.819 -0.386 4.795 1.00 0.00 C ATOM 0 H TRP A 43 12.305 -1.450 -1.683 1.00 0.00 H new ATOM 0 HA TRP A 43 14.026 -1.006 0.647 1.00 0.00 H new ATOM 0 HB2 TRP A 43 12.942 1.160 0.293 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.385 0.390 0.066 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.737 1.650 2.723 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.581 1.638 5.026 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.572 -1.104 1.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.082 0.755 6.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.822 -1.511 3.248 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.037 -0.538 5.524 1.00 0.00 H new ATOM 754 N THR A 44 12.583 -2.699 1.919 1.00 0.00 N ATOM 755 CA THR A 44 11.724 -3.617 2.673 1.00 0.00 C ATOM 756 C THR A 44 11.653 -3.231 4.146 1.00 0.00 C ATOM 757 O THR A 44 12.571 -2.621 4.703 1.00 0.00 O ATOM 758 CB THR A 44 12.119 -5.096 2.517 1.00 0.00 C ATOM 759 OG1 THR A 44 13.123 -5.494 3.432 1.00 0.00 O ATOM 760 CG2 THR A 44 12.581 -5.514 1.124 1.00 0.00 C ATOM 0 H THR A 44 13.459 -2.479 2.392 1.00 0.00 H new ATOM 0 HA THR A 44 10.731 -3.515 2.236 1.00 0.00 H new ATOM 0 HB THR A 44 11.176 -5.603 2.723 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.449 -6.386 3.192 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.834 -6.574 1.128 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.781 -5.334 0.406 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.459 -4.932 0.842 1.00 0.00 H new ATOM 768 N GLY A 45 10.545 -3.598 4.780 1.00 0.00 N ATOM 769 CA GLY A 45 10.234 -3.230 6.152 1.00 0.00 C ATOM 770 C GLY A 45 8.954 -3.898 6.626 1.00 0.00 C ATOM 771 O GLY A 45 8.744 -5.091 6.404 1.00 0.00 O ATOM 0 H GLY A 45 9.824 -4.172 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.059 -3.517 6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.131 -2.147 6.226 1.00 0.00 H new ATOM 775 N ARG A 46 8.111 -3.112 7.287 1.00 0.00 N ATOM 776 CA ARG A 46 6.907 -3.525 8.017 1.00 0.00 C ATOM 777 C ARG A 46 5.705 -2.687 7.560 1.00 0.00 C ATOM 778 O ARG A 46 5.843 -1.496 7.286 1.00 0.00 O ATOM 779 CB ARG A 46 7.227 -3.352 9.513 1.00 0.00 C ATOM 780 CG ARG A 46 6.132 -3.784 10.500 1.00 0.00 C ATOM 781 CD ARG A 46 6.326 -3.099 11.858 1.00 0.00 C ATOM 782 NE ARG A 46 7.603 -3.439 12.517 1.00 0.00 N ATOM 783 CZ ARG A 46 8.146 -2.779 13.527 1.00 0.00 C ATOM 784 NH1 ARG A 46 9.225 -3.229 14.103 1.00 0.00 N ATOM 785 NH2 ARG A 46 7.640 -1.677 14.003 1.00 0.00 N ATOM 0 H ARG A 46 8.256 -2.103 7.333 1.00 0.00 H new ATOM 0 HA ARG A 46 6.636 -4.563 7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.131 -3.918 9.737 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.455 -2.302 9.694 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.151 -3.532 10.096 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.156 -4.866 10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.274 -2.019 11.721 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.503 -3.377 12.516 1.00 0.00 H new ATOM 0 HE ARG A 46 8.109 -4.251 12.164 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.655 -4.094 13.776 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.639 -2.716 14.881 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.790 -1.288 13.595 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.094 -1.203 14.784 1.00 0.00 H new ATOM 799 N LEU A 47 4.522 -3.290 7.489 1.00 0.00 N ATOM 800 CA LEU A 47 3.268 -2.592 7.169 1.00 0.00 C ATOM 801 C LEU A 47 2.585 -2.098 8.449 1.00 0.00 C ATOM 802 O LEU A 47 2.517 -2.850 9.421 1.00 0.00 O ATOM 803 CB LEU A 47 2.347 -3.577 6.435 1.00 0.00 C ATOM 804 CG LEU A 47 0.981 -3.007 6.006 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.101 -2.165 4.740 1.00 0.00 C ATOM 806 CD2 LEU A 47 0.008 -4.168 5.801 1.00 0.00 C ATOM 0 H LEU A 47 4.399 -4.289 7.653 1.00 0.00 H new ATOM 0 HA LEU A 47 3.478 -1.726 6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.865 -3.941 5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.176 -4.439 7.080 1.00 0.00 H new ATOM 0 HG LEU A 47 0.606 -2.348 6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.119 -1.779 4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.781 -1.333 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.488 -2.781 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.964 -3.779 5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.392 -4.832 5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.099 -4.722 6.733 1.00 0.00 H new ATOM 818 N ARG A 48 1.979 -0.905 8.418 1.00 0.00 N ATOM 819 CA ARG A 48 1.050 -0.422 9.450 1.00 0.00 C ATOM 820 C ARG A 48 -0.135 0.311 8.804 1.00 0.00 C ATOM 821 O ARG A 48 0.005 1.430 8.323 1.00 0.00 O ATOM 822 CB ARG A 48 1.840 0.478 10.418 1.00 0.00 C ATOM 823 CG ARG A 48 1.106 0.764 11.736 1.00 0.00 C ATOM 824 CD ARG A 48 1.304 -0.387 12.731 1.00 0.00 C ATOM 825 NE ARG A 48 0.774 -0.057 14.067 1.00 0.00 N ATOM 826 CZ ARG A 48 1.369 0.667 15.001 1.00 0.00 C ATOM 827 NH1 ARG A 48 0.800 0.826 16.162 1.00 0.00 N ATOM 828 NH2 ARG A 48 2.522 1.248 14.826 1.00 0.00 N ATOM 0 H ARG A 48 2.122 -0.235 7.662 1.00 0.00 H new ATOM 0 HA ARG A 48 0.626 -1.255 10.011 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.796 0.005 10.641 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.060 1.424 9.923 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.476 1.693 12.169 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.043 0.904 11.542 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.808 -1.282 12.355 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.366 -0.620 12.809 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.149 -0.426 14.295 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.104 0.392 16.351 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.258 1.384 16.882 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.010 1.155 13.935 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.937 1.795 15.580 1.00 0.00 H new ATOM 842 N ILE A 49 -1.311 -0.309 8.787 1.00 0.00 N ATOM 843 CA ILE A 49 -2.552 0.317 8.305 1.00 0.00 C ATOM 844 C ILE A 49 -3.324 0.872 9.500 1.00 0.00 C ATOM 845 O ILE A 49 -3.552 0.169 10.487 1.00 0.00 O ATOM 846 CB ILE A 49 -3.406 -0.651 7.459 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.575 -1.223 6.290 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.667 0.041 6.917 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.378 -2.076 5.301 1.00 0.00 C ATOM 0 H ILE A 49 -1.438 -1.269 9.109 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.296 1.138 7.636 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.720 -1.468 8.108 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.115 -0.396 5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.764 -1.827 6.698 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.246 -0.669 6.326 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.272 0.398 7.750 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.378 0.885 6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.718 -2.437 4.513 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.816 -2.925 5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.172 -1.473 4.861 1.00 0.00 H new ATOM 861 N THR A 50 -3.754 2.124 9.396 1.00 0.00 N ATOM 862 CA THR A 50 -4.562 2.835 10.397 1.00 0.00 C ATOM 863 C THR A 50 -5.774 3.503 9.732 1.00 0.00 C ATOM 864 O THR A 50 -5.907 3.483 8.506 1.00 0.00 O ATOM 865 CB THR A 50 -3.718 3.891 11.134 1.00 0.00 C ATOM 866 OG1 THR A 50 -3.332 4.859 10.195 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.449 3.336 11.786 1.00 0.00 C ATOM 0 H THR A 50 -3.544 2.701 8.581 1.00 0.00 H new ATOM 0 HA THR A 50 -4.915 2.105 11.125 1.00 0.00 H new ATOM 0 HB THR A 50 -4.337 4.290 11.938 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.016 5.660 10.662 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.912 4.144 12.284 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.719 2.575 12.518 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.811 2.894 11.021 1.00 0.00 H new ATOM 875 N SER A 51 -6.672 4.103 10.517 1.00 0.00 N ATOM 876 CA SER A 51 -7.754 4.953 10.024 1.00 0.00 C ATOM 877 C SER A 51 -8.215 6.001 11.038 1.00 0.00 C ATOM 878 O SER A 51 -8.572 5.700 12.176 1.00 0.00 O ATOM 879 CB SER A 51 -8.955 4.128 9.557 1.00 0.00 C ATOM 880 OG SER A 51 -9.537 3.380 10.611 1.00 0.00 O ATOM 0 H SER A 51 -6.666 4.009 11.533 1.00 0.00 H new ATOM 0 HA SER A 51 -7.330 5.486 9.173 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.705 4.793 9.129 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.641 3.450 8.764 1.00 0.00 H new ATOM 0 HG SER A 51 -10.399 3.018 10.318 1.00 0.00 H new ATOM 886 N LYS A 52 -8.252 7.259 10.612 1.00 0.00 N ATOM 887 CA LYS A 52 -8.924 8.361 11.303 1.00 0.00 C ATOM 888 C LYS A 52 -10.369 8.469 10.798 1.00 0.00 C ATOM 889 O LYS A 52 -10.717 9.299 9.958 1.00 0.00 O ATOM 890 CB LYS A 52 -8.078 9.618 11.118 1.00 0.00 C ATOM 891 CG LYS A 52 -8.575 10.785 11.972 1.00 0.00 C ATOM 892 CD LYS A 52 -8.106 12.115 11.386 1.00 0.00 C ATOM 893 CE LYS A 52 -6.591 12.248 11.238 1.00 0.00 C ATOM 894 NZ LYS A 52 -6.244 13.433 10.416 1.00 0.00 N ATOM 0 H LYS A 52 -7.800 7.553 9.746 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.007 8.197 12.377 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.042 9.397 11.377 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.089 9.909 10.068 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.664 10.768 12.024 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.206 10.680 12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.566 12.248 10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.468 12.924 12.021 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.131 12.335 12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.186 11.348 10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.210 13.504 10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.666 13.335 9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.613 14.292 10.872 1.00 0.00 H new ATOM 908 N GLY A 53 -11.191 7.544 11.279 1.00 0.00 N ATOM 909 CA GLY A 53 -12.608 7.397 10.929 1.00 0.00 C ATOM 910 C GLY A 53 -12.792 6.772 9.544 1.00 0.00 C ATOM 911 O GLY A 53 -12.247 5.703 9.269 1.00 0.00 O ATOM 0 H GLY A 53 -10.880 6.844 11.952 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.104 6.777 11.676 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.091 8.374 10.954 1.00 0.00 H new ATOM 915 N LYS A 54 -13.528 7.451 8.654 1.00 0.00 N ATOM 916 CA LYS A 54 -13.748 7.047 7.246 1.00 0.00 C ATOM 917 C LYS A 54 -12.495 7.081 6.378 1.00 0.00 C ATOM 918 O LYS A 54 -12.485 6.507 5.292 1.00 0.00 O ATOM 919 CB LYS A 54 -14.938 7.864 6.697 1.00 0.00 C ATOM 920 CG LYS A 54 -15.533 7.415 5.350 1.00 0.00 C ATOM 921 CD LYS A 54 -15.011 8.177 4.126 1.00 0.00 C ATOM 922 CE LYS A 54 -15.896 7.876 2.911 1.00 0.00 C ATOM 923 NZ LYS A 54 -15.319 8.455 1.669 1.00 0.00 N ATOM 0 H LYS A 54 -14.003 8.321 8.893 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.005 5.988 7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.734 7.845 7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.619 8.902 6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.326 6.353 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.617 7.526 5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.006 9.248 4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.981 7.887 3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.006 6.798 2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.894 8.282 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.060 8.525 0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.941 9.402 1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.553 7.843 1.324 1.00 0.00 H new ATOM 937 N THR A 55 -11.412 7.652 6.884 1.00 0.00 N ATOM 938 CA THR A 55 -10.151 7.759 6.160 1.00 0.00 C ATOM 939 C THR A 55 -9.123 6.750 6.659 1.00 0.00 C ATOM 940 O THR A 55 -8.694 6.844 7.808 1.00 0.00 O ATOM 941 CB THR A 55 -9.599 9.180 6.293 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.616 10.151 6.127 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.603 9.394 5.166 1.00 0.00 C ATOM 0 H THR A 55 -11.382 8.059 7.819 1.00 0.00 H new ATOM 0 HA THR A 55 -10.347 7.536 5.111 1.00 0.00 H new ATOM 0 HB THR A 55 -9.156 9.287 7.283 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.231 11.047 6.220 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.190 10.400 5.232 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.797 8.665 5.249 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.107 9.271 4.207 1.00 0.00 H new ATOM 951 N ALA A 56 -8.692 5.811 5.811 1.00 0.00 N ATOM 952 CA ALA A 56 -7.562 4.920 6.086 1.00 0.00 C ATOM 953 C ALA A 56 -6.221 5.575 5.711 1.00 0.00 C ATOM 954 O ALA A 56 -6.161 6.486 4.885 1.00 0.00 O ATOM 955 CB ALA A 56 -7.757 3.564 5.391 1.00 0.00 C ATOM 0 H ALA A 56 -9.125 5.647 4.902 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.529 4.736 7.160 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.906 2.918 5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.671 3.096 5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.832 3.715 4.314 1.00 0.00 H new ATOM 961 N TYR A 57 -5.130 5.089 6.298 1.00 0.00 N ATOM 962 CA TYR A 57 -3.764 5.494 5.982 1.00 0.00 C ATOM 963 C TYR A 57 -2.907 4.232 5.860 1.00 0.00 C ATOM 964 O TYR A 57 -2.801 3.449 6.808 1.00 0.00 O ATOM 965 CB TYR A 57 -3.211 6.457 7.051 1.00 0.00 C ATOM 966 CG TYR A 57 -3.956 7.775 7.216 1.00 0.00 C ATOM 967 CD1 TYR A 57 -5.207 7.816 7.867 1.00 0.00 C ATOM 968 CD2 TYR A 57 -3.388 8.970 6.732 1.00 0.00 C ATOM 969 CE1 TYR A 57 -5.921 9.022 7.964 1.00 0.00 C ATOM 970 CE2 TYR A 57 -4.087 10.188 6.856 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.363 10.216 7.463 1.00 0.00 C ATOM 972 OH TYR A 57 -6.049 11.387 7.582 1.00 0.00 O ATOM 0 H TYR A 57 -5.175 4.380 7.030 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.744 6.037 5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.211 5.940 8.011 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.172 6.679 6.808 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.619 6.914 8.294 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.414 8.953 6.265 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.899 9.035 8.423 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.646 11.102 6.486 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.525 12.115 7.187 1.00 0.00 H new ATOM 982 N ILE A 58 -2.292 4.027 4.695 1.00 0.00 N ATOM 983 CA ILE A 58 -1.289 2.979 4.490 1.00 0.00 C ATOM 984 C ILE A 58 0.059 3.553 4.914 1.00 0.00 C ATOM 985 O ILE A 58 0.641 4.343 4.174 1.00 0.00 O ATOM 986 CB ILE A 58 -1.222 2.501 3.021 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.579 2.239 2.343 1.00 0.00 C ATOM 988 CG2 ILE A 58 -0.314 1.265 2.961 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.423 1.139 2.981 1.00 0.00 C ATOM 0 H ILE A 58 -2.476 4.586 3.862 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.560 2.106 5.084 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.810 3.325 2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.154 3.165 2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.401 1.979 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.251 0.909 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.683 1.528 3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.728 0.479 3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.358 1.032 2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.875 0.197 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.640 1.401 4.017 1.00 0.00 H new ATOM 1001 N LYS A 59 0.547 3.191 6.098 1.00 0.00 N ATOM 1002 CA LYS A 59 1.858 3.614 6.614 1.00 0.00 C ATOM 1003 C LYS A 59 2.853 2.459 6.480 1.00 0.00 C ATOM 1004 O LYS A 59 2.488 1.285 6.586 1.00 0.00 O ATOM 1005 CB LYS A 59 1.753 4.123 8.068 1.00 0.00 C ATOM 1006 CG LYS A 59 0.501 4.969 8.373 1.00 0.00 C ATOM 1007 CD LYS A 59 0.345 5.247 9.876 1.00 0.00 C ATOM 1008 CE LYS A 59 0.994 6.544 10.372 1.00 0.00 C ATOM 1009 NZ LYS A 59 0.253 7.745 9.925 1.00 0.00 N ATOM 0 H LYS A 59 0.038 2.585 6.741 1.00 0.00 H new ATOM 0 HA LYS A 59 2.222 4.453 6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.765 3.264 8.739 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.638 4.717 8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.563 5.914 7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.385 4.450 8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.718 5.277 10.115 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.772 4.411 10.430 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.041 6.532 11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.021 6.597 10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.435 8.530 10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.569 8.013 8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.766 7.537 9.907 1.00 0.00 H new ATOM 1023 N LEU A 60 4.119 2.787 6.245 1.00 0.00 N ATOM 1024 CA LEU A 60 5.201 1.818 6.089 1.00 0.00 C ATOM 1025 C LEU A 60 6.318 2.135 7.089 1.00 0.00 C ATOM 1026 O LEU A 60 6.789 3.269 7.173 1.00 0.00 O ATOM 1027 CB LEU A 60 5.676 1.835 4.626 1.00 0.00 C ATOM 1028 CG LEU A 60 4.640 1.286 3.623 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.043 1.668 2.201 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.532 -0.239 3.694 1.00 0.00 C ATOM 0 H LEU A 60 4.430 3.754 6.156 1.00 0.00 H new ATOM 0 HA LEU A 60 4.860 0.806 6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.928 2.859 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.591 1.248 4.545 1.00 0.00 H new ATOM 0 HG LEU A 60 3.676 1.721 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.308 1.278 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.087 2.754 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.022 1.246 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.792 -0.585 2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.500 -0.683 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.227 -0.536 4.697 1.00 0.00 H new ATOM 1042 N GLU A 61 6.714 1.133 7.866 1.00 0.00 N ATOM 1043 CA GLU A 61 7.613 1.243 9.016 1.00 0.00 C ATOM 1044 C GLU A 61 8.942 0.505 8.788 1.00 0.00 C ATOM 1045 O GLU A 61 8.988 -0.523 8.110 1.00 0.00 O ATOM 1046 CB GLU A 61 6.928 0.667 10.267 1.00 0.00 C ATOM 1047 CG GLU A 61 5.825 1.557 10.859 1.00 0.00 C ATOM 1048 CD GLU A 61 5.244 1.002 12.182 1.00 0.00 C ATOM 1049 OE1 GLU A 61 4.175 1.490 12.615 1.00 0.00 O ATOM 1050 OE2 GLU A 61 5.833 0.084 12.803 1.00 0.00 O ATOM 0 H GLU A 61 6.404 0.175 7.706 1.00 0.00 H new ATOM 0 HA GLU A 61 7.835 2.301 9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.498 -0.303 10.016 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.685 0.492 11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.227 2.555 11.036 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.020 1.661 10.131 1.00 0.00 H new ATOM 1057 N ASP A 62 10.025 0.963 9.421 1.00 0.00 N ATOM 1058 CA ASP A 62 11.265 0.213 9.533 1.00 0.00 C ATOM 1059 C ASP A 62 11.010 -1.064 10.348 1.00 0.00 C ATOM 1060 O ASP A 62 10.361 -1.025 11.401 1.00 0.00 O ATOM 1061 CB ASP A 62 12.329 1.112 10.174 1.00 0.00 C ATOM 1062 CG ASP A 62 13.625 0.341 10.432 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.532 0.355 9.568 1.00 0.00 O ATOM 1064 OD2 ASP A 62 13.697 -0.310 11.498 1.00 0.00 O ATOM 0 H ASP A 62 10.059 1.877 9.873 1.00 0.00 H new ATOM 0 HA ASP A 62 11.631 -0.092 8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.532 1.961 9.521 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.950 1.515 11.113 1.00 0.00 H new ATOM 1069 N LYS A 63 11.542 -2.193 9.867 1.00 0.00 N ATOM 1070 CA LYS A 63 11.289 -3.541 10.407 1.00 0.00 C ATOM 1071 C LYS A 63 11.705 -3.709 11.876 1.00 0.00 C ATOM 1072 O LYS A 63 11.238 -4.637 12.540 1.00 0.00 O ATOM 1073 CB LYS A 63 12.007 -4.569 9.501 1.00 0.00 C ATOM 1074 CG LYS A 63 11.142 -5.809 9.212 1.00 0.00 C ATOM 1075 CD LYS A 63 11.785 -6.780 8.203 1.00 0.00 C ATOM 1076 CE LYS A 63 11.963 -6.147 6.814 1.00 0.00 C ATOM 1077 NZ LYS A 63 12.509 -7.104 5.820 1.00 0.00 N ATOM 0 H LYS A 63 12.178 -2.199 9.070 1.00 0.00 H new ATOM 0 HA LYS A 63 10.212 -3.708 10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.277 -4.091 8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.936 -4.882 9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.955 -6.338 10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.174 -5.487 8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.756 -7.101 8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.165 -7.673 8.116 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.001 -5.772 6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.630 -5.289 6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.706 -6.605 4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.389 -7.520 6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.815 -7.859 5.648 1.00 0.00 H new ATOM 1091 N VAL A 64 12.540 -2.805 12.388 1.00 0.00 N ATOM 1092 CA VAL A 64 13.193 -2.860 13.703 1.00 0.00 C ATOM 1093 C VAL A 64 12.674 -1.758 14.621 1.00 0.00 C ATOM 1094 O VAL A 64 12.339 -2.021 15.776 1.00 0.00 O ATOM 1095 CB VAL A 64 14.727 -2.724 13.556 1.00 0.00 C ATOM 1096 CG1 VAL A 64 15.433 -3.299 14.787 1.00 0.00 C ATOM 1097 CG2 VAL A 64 15.283 -3.404 12.297 1.00 0.00 C ATOM 0 H VAL A 64 12.796 -1.965 11.869 1.00 0.00 H new ATOM 0 HA VAL A 64 12.957 -3.828 14.146 1.00 0.00 H new ATOM 0 HB VAL A 64 14.925 -1.656 13.463 1.00 0.00 H new ATOM 0 HG11 VAL A 64 16.512 -3.196 14.669 1.00 0.00 H new ATOM 0 HG12 VAL A 64 15.112 -2.757 15.677 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.179 -4.354 14.893 1.00 0.00 H new ATOM 0 HG21 VAL A 64 16.364 -3.269 12.258 1.00 0.00 H new ATOM 0 HG22 VAL A 64 15.051 -4.469 12.326 1.00 0.00 H new ATOM 0 HG23 VAL A 64 14.829 -2.958 11.412 1.00 0.00 H new ATOM 1107 N SER A 65 12.587 -0.528 14.104 1.00 0.00 N ATOM 1108 CA SER A 65 12.454 0.681 14.922 1.00 0.00 C ATOM 1109 C SER A 65 11.056 1.317 14.858 1.00 0.00 C ATOM 1110 O SER A 65 10.715 2.168 15.682 1.00 0.00 O ATOM 1111 CB SER A 65 13.550 1.669 14.497 1.00 0.00 C ATOM 1112 OG SER A 65 13.760 2.664 15.485 1.00 0.00 O ATOM 0 H SER A 65 12.607 -0.343 13.101 1.00 0.00 H new ATOM 0 HA SER A 65 12.579 0.404 15.969 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.480 1.129 14.319 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.271 2.142 13.556 1.00 0.00 H new ATOM 0 HG SER A 65 12.909 2.873 15.924 1.00 0.00 H new ATOM 1118 N GLY A 66 10.222 0.910 13.892 1.00 0.00 N ATOM 1119 CA GLY A 66 8.909 1.519 13.648 1.00 0.00 C ATOM 1120 C GLY A 66 8.970 2.897 12.972 1.00 0.00 C ATOM 1121 O GLY A 66 7.978 3.624 12.966 1.00 0.00 O ATOM 0 H GLY A 66 10.441 0.145 13.254 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.319 0.847 13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.384 1.616 14.598 1.00 0.00 H new ATOM 1125 N GLU A 67 10.129 3.280 12.422 1.00 0.00 N ATOM 1126 CA GLU A 67 10.349 4.600 11.807 1.00 0.00 C ATOM 1127 C GLU A 67 9.648 4.725 10.451 1.00 0.00 C ATOM 1128 O GLU A 67 9.639 3.784 9.659 1.00 0.00 O ATOM 1129 CB GLU A 67 11.851 4.884 11.658 1.00 0.00 C ATOM 1130 CG GLU A 67 12.514 5.219 12.999 1.00 0.00 C ATOM 1131 CD GLU A 67 12.310 6.697 13.391 1.00 0.00 C ATOM 1132 OE1 GLU A 67 13.237 7.518 13.183 1.00 0.00 O ATOM 1133 OE2 GLU A 67 11.224 7.052 13.909 1.00 0.00 O ATOM 0 H GLU A 67 10.951 2.677 12.390 1.00 0.00 H new ATOM 0 HA GLU A 67 9.911 5.343 12.474 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.341 4.015 11.220 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.995 5.714 10.966 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.102 4.577 13.778 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.581 5.003 12.940 1.00 0.00 H new ATOM 1140 N LEU A 68 9.070 5.896 10.176 1.00 0.00 N ATOM 1141 CA LEU A 68 8.204 6.112 9.010 1.00 0.00 C ATOM 1142 C LEU A 68 9.024 6.229 7.711 1.00 0.00 C ATOM 1143 O LEU A 68 9.830 7.148 7.548 1.00 0.00 O ATOM 1144 CB LEU A 68 7.289 7.328 9.280 1.00 0.00 C ATOM 1145 CG LEU A 68 6.084 7.564 8.339 1.00 0.00 C ATOM 1146 CD1 LEU A 68 6.463 8.237 7.020 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.292 6.294 8.045 1.00 0.00 C ATOM 0 H LEU A 68 9.189 6.726 10.757 1.00 0.00 H new ATOM 0 HA LEU A 68 7.562 5.245 8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.904 7.235 10.296 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.910 8.223 9.255 1.00 0.00 H new ATOM 0 HG LEU A 68 5.447 8.248 8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.570 8.371 6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.913 9.209 7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.177 7.612 6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.461 6.529 7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.943 5.562 7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.905 5.883 8.977 1.00 0.00 H new ATOM 1159 N PHE A 69 8.783 5.309 6.775 1.00 0.00 N ATOM 1160 CA PHE A 69 9.344 5.306 5.418 1.00 0.00 C ATOM 1161 C PHE A 69 8.461 6.100 4.443 1.00 0.00 C ATOM 1162 O PHE A 69 8.940 7.025 3.782 1.00 0.00 O ATOM 1163 CB PHE A 69 9.541 3.850 4.969 1.00 0.00 C ATOM 1164 CG PHE A 69 9.747 3.667 3.476 1.00 0.00 C ATOM 1165 CD1 PHE A 69 10.773 4.357 2.804 1.00 0.00 C ATOM 1166 CD2 PHE A 69 8.897 2.814 2.751 1.00 0.00 C ATOM 1167 CE1 PHE A 69 10.929 4.209 1.414 1.00 0.00 C ATOM 1168 CE2 PHE A 69 9.069 2.647 1.368 1.00 0.00 C ATOM 1169 CZ PHE A 69 10.075 3.355 0.691 1.00 0.00 C ATOM 0 H PHE A 69 8.168 4.513 6.946 1.00 0.00 H new ATOM 0 HA PHE A 69 10.312 5.807 5.421 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.402 3.436 5.494 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.671 3.269 5.276 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.441 5.001 3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.107 2.284 3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.707 4.753 0.899 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.426 1.972 0.823 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.193 3.245 -0.377 1.00 0.00 H new ATOM 1179 N ALA A 70 7.166 5.774 4.393 1.00 0.00 N ATOM 1180 CA ALA A 70 6.157 6.481 3.605 1.00 0.00 C ATOM 1181 C ALA A 70 4.756 6.323 4.216 1.00 0.00 C ATOM 1182 O ALA A 70 4.504 5.379 4.969 1.00 0.00 O ATOM 1183 CB ALA A 70 6.169 5.938 2.171 1.00 0.00 C ATOM 0 H ALA A 70 6.781 4.987 4.916 1.00 0.00 H new ATOM 0 HA ALA A 70 6.399 7.544 3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.419 6.461 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.154 6.095 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.943 4.872 2.184 1.00 0.00 H new ATOM 1189 N GLN A 71 3.832 7.214 3.843 1.00 0.00 N ATOM 1190 CA GLN A 71 2.403 7.044 4.117 1.00 0.00 C ATOM 1191 C GLN A 71 1.511 7.524 2.962 1.00 0.00 C ATOM 1192 O GLN A 71 1.801 8.545 2.335 1.00 0.00 O ATOM 1193 CB GLN A 71 2.005 7.678 5.460 1.00 0.00 C ATOM 1194 CG GLN A 71 2.311 9.182 5.580 1.00 0.00 C ATOM 1195 CD GLN A 71 1.931 9.749 6.947 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.182 9.162 7.720 1.00 0.00 O ATOM 1197 NE2 GLN A 71 2.429 10.911 7.306 1.00 0.00 N ATOM 0 H GLN A 71 4.055 8.074 3.342 1.00 0.00 H new ATOM 0 HA GLN A 71 2.229 5.971 4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.937 7.525 5.615 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.522 7.151 6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.374 9.348 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.771 9.723 4.803 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.054 11.414 6.676 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.191 11.309 8.214 1.00 0.00 H new ATOM 1206 N ALA A 72 0.418 6.801 2.699 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.599 7.123 1.695 1.00 0.00 C ATOM 1208 C ALA A 72 -1.999 7.263 2.338 1.00 0.00 C ATOM 1209 O ALA A 72 -2.501 6.273 2.881 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.627 6.015 0.634 1.00 0.00 C ATOM 0 H ALA A 72 0.210 5.938 3.202 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.342 8.078 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.382 6.249 -0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.350 5.944 0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.869 5.064 1.108 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.667 8.430 2.268 1.00 0.00 N ATOM 1217 CA PRO A 73 -4.051 8.588 2.729 1.00 0.00 C ATOM 1218 C PRO A 73 -5.053 8.022 1.707 1.00 0.00 C ATOM 1219 O PRO A 73 -4.974 8.339 0.517 1.00 0.00 O ATOM 1220 CB PRO A 73 -4.226 10.094 2.946 1.00 0.00 C ATOM 1221 CG PRO A 73 -3.277 10.716 1.921 1.00 0.00 C ATOM 1222 CD PRO A 73 -2.121 9.716 1.851 1.00 0.00 C ATOM 0 HA PRO A 73 -4.246 8.031 3.646 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.257 10.406 2.779 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.965 10.386 3.963 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.759 10.840 0.951 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.936 11.702 2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.718 9.658 0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.303 10.021 2.503 1.00 0.00 H new ATOM 1230 N VAL A 74 -6.006 7.210 2.175 1.00 0.00 N ATOM 1231 CA VAL A 74 -7.036 6.493 1.397 1.00 0.00 C ATOM 1232 C VAL A 74 -8.435 6.874 1.912 1.00 0.00 C ATOM 1233 O VAL A 74 -8.726 6.711 3.096 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.850 4.956 1.511 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -7.894 4.192 0.690 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -5.466 4.415 1.134 1.00 0.00 C ATOM 0 H VAL A 74 -6.089 7.020 3.174 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.933 6.780 0.351 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.977 4.783 2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.728 3.120 0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.893 4.442 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.805 4.469 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.454 3.331 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.246 4.669 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.712 4.859 1.784 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.336 7.322 1.033 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.728 7.681 1.386 1.00 0.00 C ATOM 1248 C GLU A 75 -11.787 6.874 0.601 1.00 0.00 C ATOM 1249 O GLU A 75 -12.989 7.127 0.721 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.932 9.200 1.229 1.00 0.00 C ATOM 1251 CG GLU A 75 -11.884 9.753 2.302 1.00 0.00 C ATOM 1252 CD GLU A 75 -12.671 10.981 1.812 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -13.910 10.856 1.642 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -12.072 12.063 1.607 1.00 0.00 O ATOM 0 H GLU A 75 -9.125 7.450 0.043 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.879 7.409 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.970 9.707 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.334 9.414 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.583 8.972 2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.310 10.023 3.189 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.345 5.907 -0.209 1.00 0.00 N ATOM 1262 CA GLN A 76 -12.159 4.959 -0.965 1.00 0.00 C ATOM 1263 C GLN A 76 -11.324 3.716 -1.317 1.00 0.00 C ATOM 1264 O GLN A 76 -10.128 3.840 -1.597 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.739 5.627 -2.232 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.768 5.920 -3.394 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.642 6.903 -3.070 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.770 8.110 -3.213 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.488 6.430 -2.642 1.00 0.00 N ATOM 0 H GLN A 76 -10.347 5.759 -0.361 1.00 0.00 H new ATOM 0 HA GLN A 76 -13.000 4.642 -0.349 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.536 4.989 -2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.200 6.569 -1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.325 4.980 -3.722 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.340 6.312 -4.234 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.363 5.425 -2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.720 7.069 -2.436 1.00 0.00 H new ATOM 1278 N TYR A 77 -11.947 2.538 -1.350 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.290 1.273 -1.696 1.00 0.00 C ATOM 1280 C TYR A 77 -12.059 0.449 -2.752 1.00 0.00 C ATOM 1281 O TYR A 77 -13.239 0.151 -2.531 1.00 0.00 O ATOM 1282 CB TYR A 77 -11.042 0.438 -0.432 1.00 0.00 C ATOM 1283 CG TYR A 77 -10.165 -0.757 -0.718 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -8.828 -0.488 -1.006 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -10.642 -2.078 -0.775 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -7.953 -1.501 -1.416 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -9.769 -3.112 -1.162 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.425 -2.827 -1.500 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.595 -3.822 -1.916 1.00 0.00 O ATOM 0 H TYR A 77 -12.938 2.432 -1.134 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.336 1.535 -2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.572 1.061 0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.995 0.101 -0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.459 0.523 -0.911 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -11.669 -2.298 -0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.928 -1.269 -1.665 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.128 -4.130 -1.201 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.673 -3.604 -1.667 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.413 0.031 -3.863 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.120 0.521 -4.367 1.00 0.00 C ATOM 1301 C PRO A 78 -10.203 1.991 -4.830 1.00 0.00 C ATOM 1302 O PRO A 78 -11.291 2.549 -4.992 1.00 0.00 O ATOM 1303 CB PRO A 78 -9.763 -0.421 -5.522 1.00 0.00 C ATOM 1304 CG PRO A 78 -11.130 -0.810 -6.082 1.00 0.00 C ATOM 1305 CD PRO A 78 -11.997 -0.895 -4.825 1.00 0.00 C ATOM 0 HA PRO A 78 -9.356 0.516 -3.590 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.146 0.075 -6.271 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.206 -1.292 -5.176 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.507 -0.066 -6.784 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.094 -1.761 -6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.030 -0.626 -5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.010 -1.910 -4.429 1.00 0.00 H new ATOM 1313 N GLY A 79 -9.051 2.626 -5.056 1.00 0.00 N ATOM 1314 CA GLY A 79 -8.953 4.001 -5.568 1.00 0.00 C ATOM 1315 C GLY A 79 -7.572 4.347 -6.136 1.00 0.00 C ATOM 1316 O GLY A 79 -6.814 3.465 -6.538 1.00 0.00 O ATOM 0 H GLY A 79 -8.142 2.195 -4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.703 4.145 -6.346 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.191 4.697 -4.764 1.00 0.00 H new ATOM 1320 N ILE A 80 -7.216 5.636 -6.149 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.872 6.092 -6.550 1.00 0.00 C ATOM 1322 C ILE A 80 -4.855 5.880 -5.426 1.00 0.00 C ATOM 1323 O ILE A 80 -3.674 5.650 -5.684 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.924 7.564 -7.022 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.618 8.074 -7.671 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -6.276 8.547 -5.889 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -4.125 7.239 -8.856 1.00 0.00 C ATOM 0 H ILE A 80 -7.846 6.393 -5.884 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.535 5.487 -7.392 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.713 7.544 -7.774 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.771 9.100 -8.005 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.837 8.099 -6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.297 9.563 -6.282 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.255 8.296 -5.480 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.526 8.478 -5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.204 7.671 -9.247 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.935 6.217 -8.527 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.884 7.233 -9.638 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.318 5.925 -4.171 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.449 5.777 -3.020 1.00 0.00 C ATOM 1341 C ALA A 81 -4.019 4.334 -2.770 1.00 0.00 C ATOM 1342 O ALA A 81 -2.934 4.139 -2.237 1.00 0.00 O ATOM 1343 CB ALA A 81 -5.113 6.348 -1.786 1.00 0.00 C ATOM 0 H ALA A 81 -6.301 6.065 -3.936 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.541 6.337 -3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.450 6.231 -0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.321 7.407 -1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.047 5.819 -1.598 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.839 3.345 -3.135 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.514 1.921 -3.075 1.00 0.00 C ATOM 1351 C VAL A 82 -5.223 1.180 -4.229 1.00 0.00 C ATOM 1352 O VAL A 82 -6.433 1.313 -4.426 1.00 0.00 O ATOM 1353 CB VAL A 82 -4.880 1.391 -1.684 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.333 1.651 -1.334 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.489 -0.078 -1.561 1.00 0.00 C ATOM 0 H VAL A 82 -5.778 3.521 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.447 1.749 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.305 1.946 -0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.544 1.257 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.524 2.724 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.977 1.159 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.754 -0.443 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.019 -0.660 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.414 -0.182 -1.711 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.470 0.405 -5.009 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.933 -0.304 -6.213 1.00 0.00 C ATOM 1367 C GLU A 83 -4.253 -1.675 -6.362 1.00 0.00 C ATOM 1368 O GLU A 83 -3.125 -1.865 -5.911 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.645 0.563 -7.459 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.877 0.785 -8.344 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.283 -0.486 -9.109 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.961 -1.355 -8.510 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -5.915 -0.625 -10.299 1.00 0.00 O ATOM 0 H GLU A 83 -3.481 0.244 -4.816 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.005 -0.476 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.258 1.530 -7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.863 0.087 -8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.711 1.116 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.671 1.585 -9.056 1.00 0.00 H new ATOM 1380 N THR A 84 -4.899 -2.624 -7.044 1.00 0.00 N ATOM 1381 CA THR A 84 -4.346 -3.956 -7.338 1.00 0.00 C ATOM 1382 C THR A 84 -3.937 -4.035 -8.805 1.00 0.00 C ATOM 1383 O THR A 84 -4.672 -4.522 -9.658 1.00 0.00 O ATOM 1384 CB THR A 84 -5.322 -5.084 -7.012 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.065 -4.830 -5.831 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.595 -6.404 -6.810 1.00 0.00 C ATOM 0 H THR A 84 -5.839 -2.489 -7.416 1.00 0.00 H new ATOM 0 HA THR A 84 -3.474 -4.090 -6.697 1.00 0.00 H new ATOM 0 HB THR A 84 -5.996 -5.140 -7.867 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.488 -4.953 -5.049 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.318 -7.186 -6.579 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.056 -6.665 -7.720 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.889 -6.308 -5.985 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.726 -3.549 -9.056 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.826 -3.839 -10.194 1.00 0.00 C ATOM 1396 C VAL A 85 -2.480 -4.168 -11.546 1.00 0.00 C ATOM 1397 O VAL A 85 -2.473 -3.328 -12.446 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.777 -4.891 -9.793 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.294 -4.216 -8.935 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.319 -6.090 -9.002 1.00 0.00 C ATOM 0 H VAL A 85 -2.300 -2.879 -8.416 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.346 -2.882 -10.399 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.392 -5.287 -10.733 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.044 -4.951 -8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.770 -3.419 -9.507 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.167 -3.795 -8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.501 -6.772 -8.769 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.774 -5.739 -8.076 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.067 -6.612 -9.599 1.00 0.00 H new ATOM 1410 N THR A 86 -3.019 -5.378 -11.694 1.00 0.00 N ATOM 1411 CA THR A 86 -4.107 -5.703 -12.631 1.00 0.00 C ATOM 1412 C THR A 86 -5.152 -6.606 -11.976 1.00 0.00 C ATOM 1413 O THR A 86 -6.351 -6.342 -12.089 1.00 0.00 O ATOM 1414 CB THR A 86 -3.636 -6.399 -13.913 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.876 -7.549 -13.652 1.00 0.00 O ATOM 1416 CG2 THR A 86 -2.747 -5.482 -14.734 1.00 0.00 C ATOM 0 H THR A 86 -2.706 -6.184 -11.153 1.00 0.00 H new ATOM 0 HA THR A 86 -4.533 -4.736 -12.899 1.00 0.00 H new ATOM 0 HB THR A 86 -4.548 -6.664 -14.448 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.600 -7.958 -14.499 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.426 -6.000 -15.638 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.303 -4.585 -15.007 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.872 -5.202 -14.147 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.704 -7.668 -11.292 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.605 -8.652 -10.659 1.00 0.00 C ATOM 1426 C ASP A 87 -4.988 -9.447 -9.489 1.00 0.00 C ATOM 1427 O ASP A 87 -5.581 -9.469 -8.409 1.00 0.00 O ATOM 1428 CB ASP A 87 -6.132 -9.621 -11.726 1.00 0.00 C ATOM 1429 CG ASP A 87 -7.402 -10.344 -11.241 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -8.517 -9.821 -11.480 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -7.294 -11.437 -10.640 1.00 0.00 O ATOM 0 H ASP A 87 -3.713 -7.872 -11.160 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.413 -8.070 -10.216 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.350 -9.073 -12.643 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.362 -10.354 -11.967 1.00 0.00 H new ATOM 1436 N SER A 88 -3.800 -10.059 -9.662 1.00 0.00 N ATOM 1437 CA SER A 88 -3.105 -10.747 -8.549 1.00 0.00 C ATOM 1438 C SER A 88 -2.888 -9.816 -7.372 1.00 0.00 C ATOM 1439 O SER A 88 -2.344 -8.718 -7.492 1.00 0.00 O ATOM 1440 CB SER A 88 -1.745 -11.396 -8.846 1.00 0.00 C ATOM 1441 OG SER A 88 -1.152 -11.894 -7.657 1.00 0.00 O ATOM 0 H SER A 88 -3.303 -10.093 -10.552 1.00 0.00 H new ATOM 0 HA SER A 88 -3.799 -11.561 -8.340 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.874 -12.209 -9.561 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.082 -10.665 -9.309 1.00 0.00 H new ATOM 0 HG SER A 88 -0.288 -12.304 -7.869 1.00 0.00 H new ATOM 1447 N SER A 89 -3.256 -10.336 -6.213 1.00 0.00 N ATOM 1448 CA SER A 89 -3.257 -9.643 -4.942 1.00 0.00 C ATOM 1449 C SER A 89 -2.161 -10.183 -4.018 1.00 0.00 C ATOM 1450 O SER A 89 -2.358 -10.273 -2.811 1.00 0.00 O ATOM 1451 CB SER A 89 -4.688 -9.720 -4.432 1.00 0.00 C ATOM 1452 OG SER A 89 -4.891 -8.963 -3.253 1.00 0.00 O ATOM 0 H SER A 89 -3.577 -11.301 -6.133 1.00 0.00 H new ATOM 0 HA SER A 89 -2.989 -8.589 -5.014 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.365 -9.364 -5.208 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.944 -10.762 -4.238 1.00 0.00 H new ATOM 0 HG SER A 89 -4.152 -9.123 -2.630 1.00 0.00 H new ATOM 1458 N ARG A 90 -0.996 -10.537 -4.594 1.00 0.00 N ATOM 1459 CA ARG A 90 0.322 -10.464 -3.924 1.00 0.00 C ATOM 1460 C ARG A 90 0.849 -9.018 -3.898 1.00 0.00 C ATOM 1461 O ARG A 90 1.574 -8.636 -2.977 1.00 0.00 O ATOM 1462 CB ARG A 90 1.330 -11.394 -4.639 1.00 0.00 C ATOM 1463 CG ARG A 90 2.716 -11.361 -3.969 1.00 0.00 C ATOM 1464 CD ARG A 90 3.784 -12.213 -4.661 1.00 0.00 C ATOM 1465 NE ARG A 90 5.061 -12.052 -3.939 1.00 0.00 N ATOM 1466 CZ ARG A 90 6.296 -12.101 -4.398 1.00 0.00 C ATOM 1467 NH1 ARG A 90 7.278 -11.873 -3.578 1.00 0.00 N ATOM 1468 NH2 ARG A 90 6.591 -12.354 -5.640 1.00 0.00 N ATOM 0 H ARG A 90 -0.940 -10.887 -5.551 1.00 0.00 H new ATOM 0 HA ARG A 90 0.203 -10.796 -2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.949 -12.415 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.424 -11.094 -5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.062 -10.328 -3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.614 -11.699 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.484 -13.261 -4.669 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.897 -11.906 -5.701 1.00 0.00 H new ATOM 0 HE ARG A 90 4.976 -11.877 -2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.086 -11.661 -2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.241 -11.906 -3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.847 -12.527 -6.316 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.566 -12.379 -5.938 1.00 0.00 H new ATOM 1482 N TYR A 91 0.495 -8.236 -4.917 1.00 0.00 N ATOM 1483 CA TYR A 91 0.996 -6.884 -5.154 1.00 0.00 C ATOM 1484 C TYR A 91 -0.104 -5.827 -5.066 1.00 0.00 C ATOM 1485 O TYR A 91 -1.281 -6.107 -5.296 1.00 0.00 O ATOM 1486 CB TYR A 91 1.644 -6.790 -6.542 1.00 0.00 C ATOM 1487 CG TYR A 91 2.682 -7.834 -6.883 1.00 0.00 C ATOM 1488 CD1 TYR A 91 4.022 -7.646 -6.497 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.316 -8.955 -7.654 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.991 -8.599 -6.855 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.285 -9.901 -8.030 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.626 -9.734 -7.613 1.00 0.00 C ATOM 1493 OH TYR A 91 5.576 -10.648 -7.946 1.00 0.00 O ATOM 0 H TYR A 91 -0.173 -8.538 -5.626 1.00 0.00 H new ATOM 0 HA TYR A 91 1.728 -6.687 -4.371 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.853 -6.841 -7.290 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.107 -5.808 -6.634 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.305 -6.773 -5.928 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.288 -9.088 -7.957 1.00 0.00 H new ATOM 0 HE1 TYR A 91 6.018 -8.463 -6.550 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.007 -10.752 -8.635 1.00 0.00 H new ATOM 0 HH TYR A 91 6.443 -10.200 -8.039 1.00 0.00 H new ATOM 1503 N PHE A 92 0.321 -4.589 -4.821 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.507 -3.386 -4.879 1.00 0.00 C ATOM 1505 C PHE A 92 0.276 -2.220 -5.484 1.00 0.00 C ATOM 1506 O PHE A 92 1.486 -2.305 -5.687 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.018 -3.031 -3.472 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.891 -4.113 -2.881 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -3.225 -4.255 -3.308 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.349 -5.018 -1.952 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -4.009 -5.313 -2.821 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.138 -6.065 -1.458 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.462 -6.225 -1.904 1.00 0.00 C ATOM 0 H PHE A 92 1.288 -4.389 -4.567 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.365 -3.582 -5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.167 -2.856 -2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.582 -2.099 -3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.645 -3.550 -4.010 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.327 -4.907 -1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.031 -5.425 -3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.728 -6.752 -0.732 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.058 -7.049 -1.541 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.412 -1.111 -5.725 1.00 0.00 N ATOM 1524 CA VAL A 93 0.174 0.220 -5.891 1.00 0.00 C ATOM 1525 C VAL A 93 -0.512 1.164 -4.915 1.00 0.00 C ATOM 1526 O VAL A 93 -1.735 1.112 -4.784 1.00 0.00 O ATOM 1527 CB VAL A 93 0.042 0.719 -7.339 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.483 2.179 -7.493 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.901 -0.150 -8.261 1.00 0.00 C ATOM 0 H VAL A 93 -1.428 -1.110 -5.814 1.00 0.00 H new ATOM 0 HA VAL A 93 1.242 0.179 -5.678 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.012 0.651 -7.609 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.371 2.485 -8.533 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.135 2.815 -6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.527 2.277 -7.196 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.807 0.205 -9.287 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.944 -0.089 -7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.565 -1.185 -8.203 1.00 0.00 H new ATOM 1539 N ILE A 94 0.250 2.028 -4.242 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.295 3.094 -3.394 1.00 0.00 C ATOM 1541 C ILE A 94 0.288 4.465 -3.766 1.00 0.00 C ATOM 1542 O ILE A 94 1.421 4.570 -4.248 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.178 2.775 -1.878 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.291 2.786 -1.410 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.810 1.415 -1.527 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.421 2.787 0.114 1.00 0.00 C ATOM 0 H ILE A 94 1.269 2.009 -4.269 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.365 3.145 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.725 3.561 -1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.804 1.914 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.791 3.666 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.707 1.231 -0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.867 1.426 -1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.304 0.625 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.476 2.795 0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.933 3.673 0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.947 1.894 0.520 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.490 5.524 -3.524 1.00 0.00 N ATOM 1559 CA ARG A 95 -0.107 6.930 -3.743 1.00 0.00 C ATOM 1560 C ARG A 95 0.296 7.553 -2.409 1.00 0.00 C ATOM 1561 O ARG A 95 -0.568 7.899 -1.606 1.00 0.00 O ATOM 1562 CB ARG A 95 -1.261 7.649 -4.472 1.00 0.00 C ATOM 1563 CG ARG A 95 -1.016 9.120 -4.835 1.00 0.00 C ATOM 1564 CD ARG A 95 -1.404 10.091 -3.712 1.00 0.00 C ATOM 1565 NE ARG A 95 -2.867 10.214 -3.520 1.00 0.00 N ATOM 1566 CZ ARG A 95 -3.586 9.812 -2.482 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -4.844 10.131 -2.383 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -3.107 9.083 -1.518 1.00 0.00 N ATOM 0 H ARG A 95 -1.437 5.427 -3.158 1.00 0.00 H new ATOM 0 HA ARG A 95 0.766 7.024 -4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.482 7.102 -5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.151 7.594 -3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.038 9.257 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.584 9.366 -5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.950 9.756 -2.779 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.990 11.075 -3.933 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.383 10.662 -4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.286 10.696 -3.109 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.388 9.816 -1.580 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.130 8.791 -1.536 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.708 8.803 -0.743 1.00 0.00 H new ATOM 1582 N ILE A 96 1.592 7.684 -2.160 1.00 0.00 N ATOM 1583 CA ILE A 96 2.174 8.197 -0.911 1.00 0.00 C ATOM 1584 C ILE A 96 2.476 9.698 -0.971 1.00 0.00 C ATOM 1585 O ILE A 96 2.652 10.269 -2.048 1.00 0.00 O ATOM 1586 CB ILE A 96 3.449 7.407 -0.529 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.507 7.435 -1.653 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.093 5.963 -0.150 1.00 0.00 C ATOM 1589 CD1 ILE A 96 5.906 7.067 -1.175 1.00 0.00 C ATOM 0 H ILE A 96 2.302 7.427 -2.846 1.00 0.00 H new ATOM 0 HA ILE A 96 1.420 8.052 -0.137 1.00 0.00 H new ATOM 0 HB ILE A 96 3.890 7.898 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.207 6.745 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.532 8.432 -2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.001 5.422 0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.411 5.968 0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.613 5.472 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.600 7.107 -2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.225 7.772 -0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.895 6.059 -0.760 1.00 0.00 H new ATOM 1601 N GLN A 97 2.650 10.318 0.194 1.00 0.00 N ATOM 1602 CA GLN A 97 3.553 11.461 0.339 1.00 0.00 C ATOM 1603 C GLN A 97 5.004 10.938 0.298 1.00 0.00 C ATOM 1604 O GLN A 97 5.335 10.008 1.034 1.00 0.00 O ATOM 1605 CB GLN A 97 3.248 12.174 1.667 1.00 0.00 C ATOM 1606 CG GLN A 97 3.966 13.527 1.792 1.00 0.00 C ATOM 1607 CD GLN A 97 3.061 14.705 1.435 1.00 0.00 C ATOM 1608 OE1 GLN A 97 2.249 15.169 2.224 1.00 0.00 O ATOM 1609 NE2 GLN A 97 3.161 15.229 0.234 1.00 0.00 N ATOM 0 H GLN A 97 2.176 10.048 1.056 1.00 0.00 H new ATOM 0 HA GLN A 97 3.416 12.180 -0.469 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.172 12.329 1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.545 11.532 2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.330 13.649 2.812 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.839 13.533 1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.834 14.851 -0.433 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.566 16.014 -0.031 1.00 0.00 H new ATOM 1682 N SER A 103 4.187 14.214 -3.612 1.00 0.00 N ATOM 1683 CA SER A 103 3.574 12.880 -3.652 1.00 0.00 C ATOM 1684 C SER A 103 4.236 11.978 -4.702 1.00 0.00 C ATOM 1685 O SER A 103 4.785 12.455 -5.699 1.00 0.00 O ATOM 1686 CB SER A 103 2.058 12.984 -3.868 1.00 0.00 C ATOM 1687 OG SER A 103 1.759 13.708 -5.052 1.00 0.00 O ATOM 0 HA SER A 103 3.743 12.409 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.627 11.985 -3.930 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.598 13.476 -3.011 1.00 0.00 H new ATOM 0 HG SER A 103 2.459 14.375 -5.213 1.00 0.00 H new ATOM 1693 N ALA A 104 4.199 10.665 -4.466 1.00 0.00 N ATOM 1694 CA ALA A 104 4.717 9.637 -5.377 1.00 0.00 C ATOM 1695 C ALA A 104 3.838 8.379 -5.410 1.00 0.00 C ATOM 1696 O ALA A 104 3.181 8.041 -4.429 1.00 0.00 O ATOM 1697 CB ALA A 104 6.161 9.296 -4.984 1.00 0.00 C ATOM 0 H ALA A 104 3.797 10.275 -3.613 1.00 0.00 H new ATOM 0 HA ALA A 104 4.699 10.041 -6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.551 8.533 -5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.778 10.192 -5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.181 8.921 -3.961 1.00 0.00 H new ATOM 1703 N PHE A 105 3.862 7.645 -6.524 1.00 0.00 N ATOM 1704 CA PHE A 105 3.347 6.275 -6.579 1.00 0.00 C ATOM 1705 C PHE A 105 4.458 5.259 -6.276 1.00 0.00 C ATOM 1706 O PHE A 105 5.565 5.351 -6.814 1.00 0.00 O ATOM 1707 CB PHE A 105 2.690 6.003 -7.936 1.00 0.00 C ATOM 1708 CG PHE A 105 1.642 7.026 -8.322 1.00 0.00 C ATOM 1709 CD1 PHE A 105 1.953 8.034 -9.254 1.00 0.00 C ATOM 1710 CD2 PHE A 105 0.372 7.000 -7.719 1.00 0.00 C ATOM 1711 CE1 PHE A 105 0.999 9.012 -9.580 1.00 0.00 C ATOM 1712 CE2 PHE A 105 -0.592 7.960 -8.073 1.00 0.00 C ATOM 1713 CZ PHE A 105 -0.281 8.971 -8.997 1.00 0.00 C ATOM 0 H PHE A 105 4.237 7.982 -7.411 1.00 0.00 H new ATOM 0 HA PHE A 105 2.583 6.161 -5.810 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.462 5.979 -8.705 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.230 5.015 -7.915 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.927 8.055 -9.719 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.137 6.243 -6.985 1.00 0.00 H new ATOM 0 HE1 PHE A 105 1.248 9.797 -10.279 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -1.577 7.920 -7.632 1.00 0.00 H new ATOM 0 HZ PHE A 105 -1.021 9.713 -9.259 1.00 0.00 H new ATOM 1723 N ILE A 106 4.143 4.259 -5.452 1.00 0.00 N ATOM 1724 CA ILE A 106 4.969 3.056 -5.257 1.00 0.00 C ATOM 1725 C ILE A 106 4.153 1.786 -5.477 1.00 0.00 C ATOM 1726 O ILE A 106 3.003 1.688 -5.050 1.00 0.00 O ATOM 1727 CB ILE A 106 5.689 3.011 -3.887 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.698 3.027 -2.695 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.659 4.202 -3.783 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.327 2.864 -1.306 1.00 0.00 C ATOM 0 H ILE A 106 3.292 4.258 -4.889 1.00 0.00 H new ATOM 0 HA ILE A 106 5.753 3.111 -6.012 1.00 0.00 H new ATOM 0 HB ILE A 106 6.237 2.071 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.148 3.968 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.970 2.228 -2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.168 4.174 -2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.396 4.142 -4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.101 5.134 -3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.545 2.890 -0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.852 1.910 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.032 3.676 -1.128 1.00 0.00 H new ATOM 1742 N GLY A 107 4.776 0.791 -6.099 1.00 0.00 N ATOM 1743 CA GLY A 107 4.325 -0.588 -6.056 1.00 0.00 C ATOM 1744 C GLY A 107 4.703 -1.230 -4.724 1.00 0.00 C ATOM 1745 O GLY A 107 5.709 -0.869 -4.108 1.00 0.00 O ATOM 0 H GLY A 107 5.621 0.926 -6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.244 -0.628 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.771 -1.149 -6.877 1.00 0.00 H new ATOM 1749 N ILE A 108 3.910 -2.198 -4.284 1.00 0.00 N ATOM 1750 CA ILE A 108 4.184 -3.038 -3.118 1.00 0.00 C ATOM 1751 C ILE A 108 4.102 -4.505 -3.556 1.00 0.00 C ATOM 1752 O ILE A 108 3.253 -4.845 -4.380 1.00 0.00 O ATOM 1753 CB ILE A 108 3.206 -2.751 -1.949 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.172 -1.235 -1.645 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.646 -3.559 -0.718 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.465 -0.860 -0.342 1.00 0.00 C ATOM 0 H ILE A 108 3.029 -2.430 -4.742 1.00 0.00 H new ATOM 0 HA ILE A 108 5.182 -2.812 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 108 2.196 -3.055 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.196 -0.863 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.677 -0.724 -2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.963 -3.363 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.631 -4.622 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.656 -3.265 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.491 0.222 -0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.429 -1.197 -0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.971 -1.338 0.497 1.00 0.00 H new ATOM 1768 N GLY A 109 4.932 -5.374 -2.984 1.00 0.00 N ATOM 1769 CA GLY A 109 4.842 -6.830 -3.114 1.00 0.00 C ATOM 1770 C GLY A 109 5.153 -7.521 -1.787 1.00 0.00 C ATOM 1771 O GLY A 109 6.155 -7.222 -1.135 1.00 0.00 O ATOM 0 H GLY A 109 5.712 -5.076 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.842 -7.107 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.539 -7.174 -3.879 1.00 0.00 H new ATOM 1775 N PHE A 110 4.281 -8.435 -1.368 1.00 0.00 N ATOM 1776 CA PHE A 110 4.416 -9.158 -0.098 1.00 0.00 C ATOM 1777 C PHE A 110 5.212 -10.463 -0.222 1.00 0.00 C ATOM 1778 O PHE A 110 5.422 -11.006 -1.312 1.00 0.00 O ATOM 1779 CB PHE A 110 3.026 -9.396 0.501 1.00 0.00 C ATOM 1780 CG PHE A 110 2.405 -8.163 1.141 1.00 0.00 C ATOM 1781 CD1 PHE A 110 1.930 -7.093 0.357 1.00 0.00 C ATOM 1782 CD2 PHE A 110 2.302 -8.094 2.544 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.350 -5.969 0.971 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.706 -6.980 3.157 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.240 -5.914 2.369 1.00 0.00 C ATOM 0 H PHE A 110 3.453 -8.699 -1.902 1.00 0.00 H new ATOM 0 HA PHE A 110 5.000 -8.533 0.578 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.362 -9.759 -0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.095 -10.185 1.250 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.012 -7.136 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.683 -8.902 3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.990 -5.149 0.368 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.606 -6.943 4.232 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.796 -5.050 2.841 1.00 0.00 H new ATOM 1795 N THR A 111 5.628 -10.993 0.929 1.00 0.00 N ATOM 1796 CA THR A 111 6.302 -12.295 1.044 1.00 0.00 C ATOM 1797 C THR A 111 5.348 -13.477 0.813 1.00 0.00 C ATOM 1798 O THR A 111 5.767 -14.549 0.373 1.00 0.00 O ATOM 1799 CB THR A 111 7.015 -12.375 2.402 1.00 0.00 C ATOM 1800 OG1 THR A 111 7.971 -13.416 2.422 1.00 0.00 O ATOM 1801 CG2 THR A 111 6.077 -12.577 3.591 1.00 0.00 C ATOM 0 H THR A 111 5.506 -10.524 1.826 1.00 0.00 H new ATOM 0 HA THR A 111 7.046 -12.372 0.251 1.00 0.00 H new ATOM 0 HB THR A 111 7.494 -11.402 2.511 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.409 -13.441 3.298 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.660 -12.623 4.511 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.376 -11.744 3.647 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.525 -13.508 3.465 1.00 0.00 H new ATOM 1809 N ASP A 112 4.048 -13.262 1.047 1.00 0.00 N ATOM 1810 CA ASP A 112 2.972 -14.239 0.841 1.00 0.00 C ATOM 1811 C ASP A 112 1.723 -13.614 0.188 1.00 0.00 C ATOM 1812 O ASP A 112 1.341 -12.485 0.513 1.00 0.00 O ATOM 1813 CB ASP A 112 2.610 -14.888 2.188 1.00 0.00 C ATOM 1814 CG ASP A 112 1.949 -16.262 1.993 1.00 0.00 C ATOM 1815 OD1 ASP A 112 2.640 -17.298 2.131 1.00 0.00 O ATOM 1816 OD2 ASP A 112 0.738 -16.301 1.679 1.00 0.00 O ATOM 0 H ASP A 112 3.703 -12.369 1.398 1.00 0.00 H new ATOM 0 HA ASP A 112 3.337 -14.998 0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.510 -14.999 2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.935 -14.233 2.738 1.00 0.00 H new ATOM 1821 N ARG A 113 1.038 -14.375 -0.680 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.273 -14.022 -1.260 1.00 0.00 C ATOM 1823 C ARG A 113 -1.316 -13.737 -0.168 1.00 0.00 C ATOM 1824 O ARG A 113 -2.098 -12.799 -0.302 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.722 -15.180 -2.182 1.00 0.00 C ATOM 1826 CG ARG A 113 -2.051 -14.968 -2.935 1.00 0.00 C ATOM 1827 CD ARG A 113 -1.990 -13.917 -4.053 1.00 0.00 C ATOM 1828 NE ARG A 113 -1.209 -14.387 -5.221 1.00 0.00 N ATOM 1829 CZ ARG A 113 -1.662 -14.768 -6.408 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -0.832 -15.119 -7.345 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -2.928 -14.821 -6.703 1.00 0.00 N ATOM 0 H ARG A 113 1.387 -15.276 -1.008 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.180 -13.104 -1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.064 -15.359 -2.916 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.809 -16.085 -1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -2.366 -15.919 -3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -2.817 -14.673 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -3.002 -13.668 -4.371 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.544 -13.001 -3.665 1.00 0.00 H new ATOM 0 HE ARG A 113 -0.197 -14.422 -5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.173 -15.102 -7.169 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -1.185 -15.411 -8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -3.626 -14.562 -6.005 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.223 -15.121 -7.632 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.303 -14.497 0.927 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.200 -14.324 2.074 1.00 0.00 C ATOM 1847 C GLY A 114 -1.911 -13.066 2.902 1.00 0.00 C ATOM 1848 O GLY A 114 -2.844 -12.416 3.372 1.00 0.00 O ATOM 0 H GLY A 114 -0.651 -15.272 1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.229 -14.283 1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.122 -15.199 2.720 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.642 -12.660 3.029 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.277 -11.430 3.749 1.00 0.00 C ATOM 1854 C ASP A 115 -0.740 -10.172 2.994 1.00 0.00 C ATOM 1855 O ASP A 115 -1.228 -9.220 3.608 1.00 0.00 O ATOM 1856 CB ASP A 115 1.228 -11.392 4.056 1.00 0.00 C ATOM 1857 CG ASP A 115 1.651 -12.404 5.138 1.00 0.00 C ATOM 1858 OD1 ASP A 115 2.770 -12.955 5.044 1.00 0.00 O ATOM 1859 OD2 ASP A 115 0.887 -12.608 6.112 1.00 0.00 O ATOM 0 H ASP A 115 0.154 -13.167 2.641 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.804 -11.438 4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.784 -11.594 3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.501 -10.388 4.380 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.688 -10.204 1.660 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.273 -9.176 0.802 1.00 0.00 C ATOM 1866 C ALA A 116 -2.815 -9.249 0.726 1.00 0.00 C ATOM 1867 O ALA A 116 -3.486 -8.218 0.694 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.648 -9.335 -0.577 1.00 0.00 C ATOM 0 H ALA A 116 -0.232 -10.955 1.141 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.059 -8.194 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.059 -8.584 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.432 -9.206 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.869 -10.330 -0.964 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.413 -10.442 0.769 1.00 0.00 N ATOM 1875 CA PHE A 117 -4.872 -10.581 0.858 1.00 0.00 C ATOM 1876 C PHE A 117 -5.426 -9.961 2.159 1.00 0.00 C ATOM 1877 O PHE A 117 -6.519 -9.396 2.149 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.252 -12.058 0.701 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.739 -12.318 0.546 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.345 -12.255 -0.727 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.517 -12.647 1.675 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.719 -12.520 -0.866 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.888 -12.922 1.529 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.486 -12.862 0.261 1.00 0.00 C ATOM 0 H PHE A 117 -2.910 -11.329 0.744 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.335 -10.022 0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.734 -12.462 -0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.890 -12.607 1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.753 -12.003 -1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.059 -12.688 2.652 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.185 -12.461 -1.839 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.482 -13.180 2.394 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.538 -13.079 0.151 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.655 -9.955 3.254 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.023 -9.267 4.498 1.00 0.00 C ATOM 1896 C ASP A 118 -4.893 -7.740 4.368 1.00 0.00 C ATOM 1897 O ASP A 118 -5.734 -7.020 4.908 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.171 -9.775 5.673 1.00 0.00 C ATOM 1899 CG ASP A 118 -4.523 -11.194 6.159 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -3.614 -11.866 6.705 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -5.704 -11.608 6.084 1.00 0.00 O ATOM 0 H ASP A 118 -3.754 -10.430 3.302 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.070 -9.495 4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.122 -9.757 5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.279 -9.083 6.508 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.913 -7.231 3.603 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.808 -5.807 3.269 1.00 0.00 C ATOM 1908 C PHE A 119 -5.078 -5.326 2.545 1.00 0.00 C ATOM 1909 O PHE A 119 -5.670 -4.313 2.921 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.524 -5.565 2.449 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.356 -4.188 1.823 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -1.456 -3.269 2.378 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -3.030 -3.843 0.637 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -1.290 -1.998 1.811 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.835 -2.585 0.038 1.00 0.00 C ATOM 1916 CZ PHE A 119 -1.979 -1.652 0.640 1.00 0.00 C ATOM 0 H PHE A 119 -3.170 -7.801 3.199 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.732 -5.216 4.182 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.668 -5.750 3.097 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.486 -6.307 1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -0.884 -3.543 3.252 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.705 -4.552 0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -0.629 -1.283 2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.343 -2.339 -0.883 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.851 -0.672 0.204 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.554 -6.102 1.565 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.799 -5.845 0.840 1.00 0.00 C ATOM 1928 C ASN A 120 -8.045 -5.967 1.734 1.00 0.00 C ATOM 1929 O ASN A 120 -8.867 -5.053 1.763 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.837 -6.782 -0.378 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.224 -7.195 -0.815 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -8.714 -8.259 -0.488 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.928 -6.367 -1.536 1.00 0.00 N ATOM 0 H ASN A 120 -5.073 -6.944 1.249 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.818 -4.810 0.500 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.339 -6.290 -1.213 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.262 -7.679 -0.148 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.876 -6.615 -1.818 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.530 -5.471 -1.818 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.209 -7.065 2.476 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.430 -7.314 3.262 1.00 0.00 C ATOM 1942 C VAL A 121 -9.558 -6.372 4.462 1.00 0.00 C ATOM 1943 O VAL A 121 -10.676 -5.984 4.802 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.517 -8.797 3.667 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.527 -9.099 4.783 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -9.913 -9.661 2.467 1.00 0.00 C ATOM 0 H VAL A 121 -7.509 -7.803 2.552 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.286 -7.092 2.624 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.519 -9.031 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.519 -10.167 5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.255 -8.543 5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.525 -8.802 4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.969 -10.706 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.885 -9.340 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -9.167 -9.554 1.679 1.00 0.00 H new ATOM 1956 N SER A 122 -8.445 -5.917 5.049 1.00 0.00 N ATOM 1957 CA SER A 122 -8.458 -4.845 6.057 1.00 0.00 C ATOM 1958 C SER A 122 -9.107 -3.562 5.515 1.00 0.00 C ATOM 1959 O SER A 122 -9.840 -2.886 6.237 1.00 0.00 O ATOM 1960 CB SER A 122 -7.024 -4.556 6.518 1.00 0.00 C ATOM 1961 OG SER A 122 -7.018 -3.593 7.555 1.00 0.00 O ATOM 0 H SER A 122 -7.514 -6.278 4.842 1.00 0.00 H new ATOM 0 HA SER A 122 -9.056 -5.183 6.903 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.556 -5.477 6.867 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.432 -4.196 5.677 1.00 0.00 H new ATOM 0 HG SER A 122 -6.268 -2.976 7.424 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.915 -3.265 4.223 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.519 -2.120 3.539 1.00 0.00 C ATOM 1969 C LEU A 123 -10.953 -2.416 3.069 1.00 0.00 C ATOM 1970 O LEU A 123 -11.816 -1.551 3.219 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.603 -1.677 2.388 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.204 -1.226 2.852 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.244 -1.219 1.669 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.233 0.169 3.484 1.00 0.00 C ATOM 0 H LEU A 123 -8.322 -3.828 3.613 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.611 -1.295 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.495 -2.501 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.080 -0.858 1.850 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.867 -1.935 3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.257 -0.899 2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.177 -2.222 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.610 -0.530 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.227 0.448 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.599 0.891 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.894 0.162 4.351 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.257 -3.635 2.600 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.642 -4.052 2.320 1.00 0.00 C ATOM 1988 C GLN A 124 -13.532 -3.854 3.558 1.00 0.00 C ATOM 1989 O GLN A 124 -14.540 -3.153 3.491 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.741 -5.525 1.874 1.00 0.00 C ATOM 1991 CG GLN A 124 -12.110 -5.845 0.510 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.466 -7.257 0.035 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.620 -7.657 -0.042 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -11.512 -8.095 -0.306 1.00 0.00 N ATOM 0 H GLN A 124 -10.560 -4.354 2.405 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.987 -3.421 1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.265 -6.149 2.631 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.793 -5.808 1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.450 -5.117 -0.227 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.027 -5.747 0.579 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.536 -7.804 -0.257 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -11.748 -9.036 -0.619 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.134 -4.402 4.709 1.00 0.00 N ATOM 2004 CA ASP A 125 -13.890 -4.311 5.967 1.00 0.00 C ATOM 2005 C ASP A 125 -13.804 -2.928 6.639 1.00 0.00 C ATOM 2006 O ASP A 125 -14.543 -2.653 7.582 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.379 -5.402 6.916 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.301 -5.634 8.120 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -13.843 -5.510 9.281 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -15.482 -5.993 7.905 1.00 0.00 O ATOM 0 H ASP A 125 -12.266 -4.930 4.798 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.945 -4.457 5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.272 -6.335 6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.386 -5.128 7.274 1.00 0.00 H new ATOM 2015 N HIS A 126 -12.940 -2.036 6.145 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.908 -0.631 6.563 1.00 0.00 C ATOM 2017 C HIS A 126 -13.923 0.212 5.784 1.00 0.00 C ATOM 2018 O HIS A 126 -14.627 1.024 6.380 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.494 -0.055 6.445 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.443 1.403 6.826 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -11.192 2.455 5.947 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.711 1.913 8.063 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.311 3.577 6.672 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.631 3.280 7.941 1.00 0.00 N ATOM 0 H HIS A 126 -12.240 -2.269 5.441 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.196 -0.592 7.613 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.818 -0.621 7.086 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.138 -0.175 5.422 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.940 1.355 8.959 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -11.169 4.577 6.289 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -11.788 3.955 8.689 1.00 0.00 H new ATOM 2032 N PHE A 127 -14.066 -0.020 4.477 1.00 0.00 N ATOM 2033 CA PHE A 127 -15.039 0.698 3.650 1.00 0.00 C ATOM 2034 C PHE A 127 -16.440 0.050 3.620 1.00 0.00 C ATOM 2035 O PHE A 127 -17.395 0.723 3.230 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.430 1.018 2.278 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.370 2.109 2.378 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -13.759 3.458 2.504 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -12.004 1.779 2.444 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -12.789 4.459 2.704 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -11.032 2.781 2.618 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.426 4.121 2.757 1.00 0.00 C ATOM 0 H PHE A 127 -13.514 -0.707 3.964 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.249 1.656 4.126 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -13.987 0.116 1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -15.217 1.336 1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -14.804 3.725 2.447 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.699 0.746 2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -13.093 5.489 2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.984 2.520 2.645 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.683 4.891 2.904 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.614 -1.195 4.105 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.915 -1.907 4.108 1.00 0.00 C ATOM 2054 C LYS A 128 -19.021 -1.240 4.937 1.00 0.00 C ATOM 2055 O LYS A 128 -20.199 -1.435 4.639 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.742 -3.402 4.458 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.522 -3.754 5.941 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.828 -4.028 6.693 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.652 -4.190 8.206 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.093 -5.512 8.581 1.00 0.00 N ATOM 0 H LYS A 128 -15.853 -1.742 4.509 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.275 -1.836 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -18.627 -3.935 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.895 -3.787 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -16.880 -4.632 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -16.994 -2.934 6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -19.523 -3.210 6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.284 -4.933 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -17.994 -3.404 8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.616 -4.056 8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -17.995 -5.567 9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.732 -6.265 8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.160 -5.633 8.138 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.660 -0.481 5.977 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.600 0.186 6.901 1.00 0.00 C ATOM 2076 C TRP A 129 -19.749 1.705 6.653 1.00 0.00 C ATOM 2077 O TRP A 129 -20.502 2.389 7.349 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.206 -0.171 8.342 1.00 0.00 C ATOM 2079 CG TRP A 129 -17.795 0.153 8.725 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.739 -0.690 8.655 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.255 1.424 9.200 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.597 -0.033 9.054 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -15.847 1.282 9.386 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.813 2.692 9.461 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -15.034 2.349 9.800 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -17.008 3.773 9.873 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.620 3.605 10.037 1.00 0.00 C ATOM 0 H TRP A 129 -17.683 -0.305 6.210 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.605 -0.190 6.709 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -19.878 0.351 9.023 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.368 -1.239 8.490 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -16.785 -1.721 8.335 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -14.675 -0.467 9.099 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -18.877 2.838 9.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -13.972 2.207 9.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.459 4.736 10.064 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -15.007 4.439 10.344 1.00 0.00 H new ATOM 2098 N VAL A 130 -19.062 2.218 5.630 1.00 0.00 N ATOM 2099 CA VAL A 130 -19.099 3.598 5.103 1.00 0.00 C ATOM 2100 C VAL A 130 -19.414 3.537 3.597 1.00 0.00 C ATOM 2101 O VAL A 130 -20.043 2.580 3.136 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.824 4.399 5.504 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -18.168 5.337 6.667 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.625 3.554 5.931 1.00 0.00 C ATOM 0 H VAL A 130 -18.411 1.638 5.101 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.902 4.176 5.561 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.525 4.927 4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -17.281 5.901 6.954 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -18.953 6.027 6.358 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.515 4.750 7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.792 4.208 6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -16.895 2.951 6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.331 2.899 5.111 1.00 0.00 H new