USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 541 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 489 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 493 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 465 GLN : amide:sc= 0.048 X(o=0.51,f=0.39) USER MOD Set 2.2: A 467 SER OG : rot 72:sc= 0.459 USER MOD Set 3.1: A 442 HIS : no HD1:sc= 1.24 K(o=2.7,f=-6.8!) USER MOD Set 3.2: A 473 SER OG : rot -83:sc= 1.79 USER MOD Set 3.3: A 500 GLN : amide:sc= -0.305! C(o=2.7!,f=-0.46!) USER MOD Set 4.1: A 439 HIS : no HD1:sc= 0.00267 K(o=0.0027,f=-0.77) USER MOD Set 4.2: A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 444 THR OG1 : rot -46:sc= 0.73 USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 LYS NZ :NH3+ -178:sc= 0.91 (180deg=0.909) USER MOD Single : A 451 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=-0.00069) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 472 THR OG1 : rot -1:sc= 0.0915 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 483 GLN : amide:sc= 0.0927 K(o=0.093,f=-2.3) USER MOD Single : A 485 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.71) USER MOD Single : A 490 THR OG1 : rot 3:sc= 0.00958 USER MOD Single : A 491 SER OG : rot -120:sc= 0.233 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 TYR OH : rot 180:sc= 0 USER MOD Single : A 501 THR OG1 : rot 180:sc= 0.422 USER MOD Single : A 502 TYR OH : rot 180:sc= 0 USER MOD Single : A 505 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 173 N ARG A 437 -1.284 -9.770 -7.348 1.00 0.00 N ATOM 174 CA ARG A 437 -1.159 -8.443 -6.705 1.00 0.00 C ATOM 175 C ARG A 437 -0.731 -7.329 -7.680 1.00 0.00 C ATOM 176 O ARG A 437 -0.349 -6.243 -7.249 1.00 0.00 O ATOM 177 CB ARG A 437 -0.172 -8.556 -5.521 1.00 0.00 C ATOM 178 CG ARG A 437 -0.574 -9.551 -4.417 1.00 0.00 C ATOM 179 CD ARG A 437 -1.764 -9.065 -3.582 1.00 0.00 C ATOM 180 NE ARG A 437 -2.033 -9.993 -2.466 1.00 0.00 N ATOM 181 CZ ARG A 437 -2.691 -9.735 -1.352 1.00 0.00 C ATOM 182 NH1 ARG A 437 -3.231 -8.572 -1.115 1.00 0.00 N ATOM 183 NH2 ARG A 437 -2.836 -10.656 -0.445 1.00 0.00 N ATOM 0 HA ARG A 437 -2.146 -8.150 -6.348 1.00 0.00 H new ATOM 0 HB2 ARG A 437 0.804 -8.847 -5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 437 -0.055 -7.570 -5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 437 -0.823 -10.510 -4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 437 0.279 -9.722 -3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 437 -1.557 -8.069 -3.191 1.00 0.00 H new ATOM 0 HD3 ARG A 437 -2.648 -8.982 -4.214 1.00 0.00 H new ATOM 0 HE ARG A 437 -1.669 -10.940 -2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 437 -3.152 -7.823 -1.803 1.00 0.00 H new ATOM 0 HH12 ARG A 437 -3.732 -8.411 -0.241 1.00 0.00 H new ATOM 0 HH21 ARG A 437 -2.440 -11.584 -0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 437 -3.346 -10.450 0.414 1.00 0.00 H new ATOM 197 N ASP A 438 -0.806 -7.573 -8.994 1.00 0.00 N ATOM 198 CA ASP A 438 -0.423 -6.626 -10.065 1.00 0.00 C ATOM 199 C ASP A 438 -1.221 -5.301 -10.066 1.00 0.00 C ATOM 200 O ASP A 438 -0.825 -4.328 -10.708 1.00 0.00 O ATOM 201 CB ASP A 438 -0.575 -7.310 -11.433 1.00 0.00 C ATOM 202 CG ASP A 438 0.373 -8.503 -11.604 1.00 0.00 C ATOM 203 OD1 ASP A 438 1.596 -8.296 -11.796 1.00 0.00 O ATOM 204 OD2 ASP A 438 -0.101 -9.662 -11.546 1.00 0.00 O ATOM 0 H ASP A 438 -1.145 -8.463 -9.360 1.00 0.00 H new ATOM 0 HA ASP A 438 0.614 -6.355 -9.867 1.00 0.00 H new ATOM 0 HB2 ASP A 438 -1.604 -7.648 -11.554 1.00 0.00 H new ATOM 0 HB3 ASP A 438 -0.384 -6.583 -12.222 1.00 0.00 H new ATOM 209 N HIS A 439 -2.332 -5.261 -9.327 1.00 0.00 N ATOM 210 CA HIS A 439 -3.287 -4.156 -9.185 1.00 0.00 C ATOM 211 C HIS A 439 -3.361 -3.623 -7.737 1.00 0.00 C ATOM 212 O HIS A 439 -4.326 -2.949 -7.370 1.00 0.00 O ATOM 213 CB HIS A 439 -4.651 -4.650 -9.700 1.00 0.00 C ATOM 214 CG HIS A 439 -5.131 -5.892 -8.986 1.00 0.00 C ATOM 215 ND1 HIS A 439 -4.694 -7.198 -9.250 1.00 0.00 N ATOM 216 CD2 HIS A 439 -5.966 -5.917 -7.910 1.00 0.00 C ATOM 217 CE1 HIS A 439 -5.283 -7.976 -8.326 1.00 0.00 C ATOM 218 NE2 HIS A 439 -6.049 -7.233 -7.512 1.00 0.00 N ATOM 0 H HIS A 439 -2.611 -6.066 -8.766 1.00 0.00 H new ATOM 0 HA HIS A 439 -2.956 -3.303 -9.777 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -5.389 -3.858 -9.577 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.578 -4.855 -10.768 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -6.464 -5.072 -7.458 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -5.158 -9.046 -8.249 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -6.601 -7.584 -6.729 1.00 0.00 H new ATOM 226 N VAL A 440 -2.352 -3.924 -6.906 1.00 0.00 N ATOM 227 CA VAL A 440 -2.313 -3.609 -5.465 1.00 0.00 C ATOM 228 C VAL A 440 -1.069 -2.787 -5.109 1.00 0.00 C ATOM 229 O VAL A 440 0.028 -2.990 -5.640 1.00 0.00 O ATOM 230 CB VAL A 440 -2.387 -4.895 -4.605 1.00 0.00 C ATOM 231 CG1 VAL A 440 -2.509 -4.595 -3.100 1.00 0.00 C ATOM 232 CG2 VAL A 440 -3.595 -5.767 -4.983 1.00 0.00 C ATOM 0 H VAL A 440 -1.513 -4.408 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.191 -3.004 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 440 -1.452 -5.418 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.557 -5.532 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -1.641 -4.023 -2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -3.415 -4.018 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -3.610 -6.659 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -4.514 -5.201 -4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.519 -6.060 -6.030 1.00 0.00 H new ATOM 242 N LEU A 441 -1.255 -1.864 -4.169 1.00 0.00 N ATOM 243 CA LEU A 441 -0.268 -0.929 -3.634 1.00 0.00 C ATOM 244 C LEU A 441 -0.124 -1.103 -2.117 1.00 0.00 C ATOM 245 O LEU A 441 -0.986 -1.682 -1.455 1.00 0.00 O ATOM 246 CB LEU A 441 -0.759 0.504 -3.915 1.00 0.00 C ATOM 247 CG LEU A 441 -0.782 0.907 -5.396 1.00 0.00 C ATOM 248 CD1 LEU A 441 -1.607 2.177 -5.551 1.00 0.00 C ATOM 249 CD2 LEU A 441 0.624 1.199 -5.916 1.00 0.00 C ATOM 0 H LEU A 441 -2.167 -1.741 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 441 0.696 -1.118 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -1.765 0.613 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -0.120 1.203 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 441 -1.209 0.080 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -1.629 2.471 -6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -2.624 1.995 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -1.160 2.976 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 441 0.572 1.481 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 441 1.062 2.016 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 441 1.243 0.308 -5.810 1.00 0.00 H new ATOM 261 N HIS A 442 0.930 -0.511 -1.568 1.00 0.00 N ATOM 262 CA HIS A 442 1.179 -0.322 -0.140 1.00 0.00 C ATOM 263 C HIS A 442 1.419 1.171 0.116 1.00 0.00 C ATOM 264 O HIS A 442 2.010 1.868 -0.712 1.00 0.00 O ATOM 265 CB HIS A 442 2.369 -1.189 0.291 1.00 0.00 C ATOM 266 CG HIS A 442 2.788 -0.928 1.714 1.00 0.00 C ATOM 267 ND1 HIS A 442 3.849 -0.104 2.100 1.00 0.00 N ATOM 268 CD2 HIS A 442 2.136 -1.366 2.828 1.00 0.00 C ATOM 269 CE1 HIS A 442 3.810 -0.064 3.443 1.00 0.00 C ATOM 270 NE2 HIS A 442 2.797 -0.814 3.902 1.00 0.00 N ATOM 0 H HIS A 442 1.681 -0.126 -2.141 1.00 0.00 H new ATOM 0 HA HIS A 442 0.322 -0.636 0.455 1.00 0.00 H new ATOM 0 HB2 HIS A 442 2.107 -2.241 0.180 1.00 0.00 H new ATOM 0 HB3 HIS A 442 3.212 -0.999 -0.373 1.00 0.00 H new ATOM 0 HD2 HIS A 442 1.274 -2.016 2.861 1.00 0.00 H new ATOM 0 HE1 HIS A 442 4.496 0.493 4.064 1.00 0.00 H new ATOM 0 HE2 HIS A 442 2.556 -0.952 4.884 1.00 0.00 H new ATOM 278 N VAL A 443 0.930 1.672 1.249 1.00 0.00 N ATOM 279 CA VAL A 443 0.852 3.105 1.569 1.00 0.00 C ATOM 280 C VAL A 443 1.318 3.334 3.003 1.00 0.00 C ATOM 281 O VAL A 443 1.008 2.534 3.889 1.00 0.00 O ATOM 282 CB VAL A 443 -0.593 3.631 1.403 1.00 0.00 C ATOM 283 CG1 VAL A 443 -0.663 5.166 1.392 1.00 0.00 C ATOM 284 CG2 VAL A 443 -1.254 3.151 0.105 1.00 0.00 C ATOM 0 H VAL A 443 0.565 1.079 1.994 1.00 0.00 H new ATOM 0 HA VAL A 443 1.498 3.648 0.879 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.123 3.230 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -1.699 5.482 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -0.271 5.555 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -0.069 5.551 0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -2.266 3.551 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -0.673 3.499 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.293 2.062 0.098 1.00 0.00 H new ATOM 294 N THR A 444 2.027 4.438 3.243 1.00 0.00 N ATOM 295 CA THR A 444 2.573 4.826 4.555 1.00 0.00 C ATOM 296 C THR A 444 2.188 6.272 4.869 1.00 0.00 C ATOM 297 O THR A 444 2.232 7.136 3.989 1.00 0.00 O ATOM 298 CB THR A 444 4.105 4.672 4.602 1.00 0.00 C ATOM 299 OG1 THR A 444 4.547 3.531 3.891 1.00 0.00 O ATOM 300 CG2 THR A 444 4.627 4.503 6.026 1.00 0.00 C ATOM 0 H THR A 444 2.247 5.112 2.509 1.00 0.00 H new ATOM 0 HA THR A 444 2.147 4.159 5.305 1.00 0.00 H new ATOM 0 HB THR A 444 4.487 5.589 4.153 1.00 0.00 H new ATOM 0 HG1 THR A 444 3.992 2.760 4.132 1.00 0.00 H new ATOM 0 HG21 THR A 444 5.712 4.398 6.006 1.00 0.00 H new ATOM 0 HG22 THR A 444 4.358 5.377 6.618 1.00 0.00 H new ATOM 0 HG23 THR A 444 4.185 3.612 6.472 1.00 0.00 H new ATOM 308 N PHE A 445 1.784 6.544 6.112 1.00 0.00 N ATOM 309 CA PHE A 445 1.166 7.812 6.526 1.00 0.00 C ATOM 310 C PHE A 445 1.269 8.047 8.054 1.00 0.00 C ATOM 311 O PHE A 445 1.405 7.082 8.813 1.00 0.00 O ATOM 312 CB PHE A 445 -0.316 7.784 6.090 1.00 0.00 C ATOM 313 CG PHE A 445 -1.025 6.461 6.358 1.00 0.00 C ATOM 314 CD1 PHE A 445 -1.385 6.107 7.671 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.239 5.540 5.313 1.00 0.00 C ATOM 316 CE1 PHE A 445 -1.920 4.839 7.943 1.00 0.00 C ATOM 317 CE2 PHE A 445 -1.781 4.270 5.582 1.00 0.00 C ATOM 318 CZ PHE A 445 -2.117 3.917 6.901 1.00 0.00 C ATOM 0 H PHE A 445 1.878 5.876 6.877 1.00 0.00 H new ATOM 0 HA PHE A 445 1.699 8.635 6.049 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -0.850 8.580 6.609 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -0.373 8.004 5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -1.249 6.816 8.474 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -0.985 5.811 4.299 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -2.181 4.571 8.956 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -1.939 3.567 4.777 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.525 2.940 7.113 1.00 0.00 H new ATOM 328 N PRO A 446 1.187 9.303 8.540 1.00 0.00 N ATOM 329 CA PRO A 446 1.041 9.617 9.967 1.00 0.00 C ATOM 330 C PRO A 446 -0.162 8.908 10.612 1.00 0.00 C ATOM 331 O PRO A 446 -1.225 8.799 9.997 1.00 0.00 O ATOM 332 CB PRO A 446 0.869 11.140 10.040 1.00 0.00 C ATOM 333 CG PRO A 446 1.525 11.648 8.759 1.00 0.00 C ATOM 334 CD PRO A 446 1.249 10.528 7.759 1.00 0.00 C ATOM 0 HA PRO A 446 1.913 9.268 10.521 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -0.183 11.421 10.088 1.00 0.00 H new ATOM 0 HB3 PRO A 446 1.350 11.554 10.926 1.00 0.00 H new ATOM 0 HG2 PRO A 446 1.093 12.594 8.433 1.00 0.00 H new ATOM 0 HG3 PRO A 446 2.594 11.815 8.892 1.00 0.00 H new ATOM 0 HD2 PRO A 446 0.313 10.700 7.228 1.00 0.00 H new ATOM 0 HD3 PRO A 446 2.036 10.473 7.007 1.00 0.00 H new ATOM 342 N LYS A 447 -0.032 8.482 11.877 1.00 0.00 N ATOM 343 CA LYS A 447 -1.083 7.747 12.623 1.00 0.00 C ATOM 344 C LYS A 447 -2.440 8.461 12.699 1.00 0.00 C ATOM 345 O LYS A 447 -3.477 7.810 12.825 1.00 0.00 O ATOM 346 CB LYS A 447 -0.572 7.367 14.027 1.00 0.00 C ATOM 347 CG LYS A 447 -0.322 8.579 14.947 1.00 0.00 C ATOM 348 CD LYS A 447 0.295 8.192 16.298 1.00 0.00 C ATOM 349 CE LYS A 447 -0.657 7.346 17.154 1.00 0.00 C ATOM 350 NZ LYS A 447 -0.067 7.052 18.485 1.00 0.00 N ATOM 0 H LYS A 447 0.815 8.637 12.424 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.280 6.844 12.045 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.298 6.706 14.501 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.355 6.802 13.926 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.339 9.282 14.440 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.265 9.097 15.120 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.217 7.636 16.128 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.564 9.096 16.844 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -1.602 7.874 17.281 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.881 6.412 16.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.733 6.479 19.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 0.822 6.527 18.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 0.123 7.944 18.985 1.00 0.00 H new ATOM 364 N GLU A 448 -2.439 9.790 12.590 1.00 0.00 N ATOM 365 CA GLU A 448 -3.632 10.648 12.585 1.00 0.00 C ATOM 366 C GLU A 448 -4.552 10.452 11.361 1.00 0.00 C ATOM 367 O GLU A 448 -5.692 10.925 11.385 1.00 0.00 O ATOM 368 CB GLU A 448 -3.203 12.124 12.685 1.00 0.00 C ATOM 369 CG GLU A 448 -2.468 12.440 13.996 1.00 0.00 C ATOM 370 CD GLU A 448 -2.156 13.944 14.106 1.00 0.00 C ATOM 371 OE1 GLU A 448 -1.083 14.386 13.627 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.980 14.701 14.681 1.00 0.00 O ATOM 0 H GLU A 448 -1.574 10.323 12.499 1.00 0.00 H new ATOM 0 HA GLU A 448 -4.223 10.352 13.452 1.00 0.00 H new ATOM 0 HB2 GLU A 448 -2.556 12.368 11.843 1.00 0.00 H new ATOM 0 HB3 GLU A 448 -4.084 12.760 12.605 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -3.079 12.129 14.843 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -1.541 11.868 14.044 1.00 0.00 H new ATOM 379 N TRP A 449 -4.096 9.765 10.304 1.00 0.00 N ATOM 380 CA TRP A 449 -4.921 9.373 9.151 1.00 0.00 C ATOM 381 C TRP A 449 -5.965 8.297 9.503 1.00 0.00 C ATOM 382 O TRP A 449 -5.787 7.501 10.432 1.00 0.00 O ATOM 383 CB TRP A 449 -4.023 8.856 8.013 1.00 0.00 C ATOM 384 CG TRP A 449 -3.344 9.896 7.171 1.00 0.00 C ATOM 385 CD1 TRP A 449 -2.588 10.922 7.624 1.00 0.00 C ATOM 386 CD2 TRP A 449 -3.349 10.021 5.714 1.00 0.00 C ATOM 387 NE1 TRP A 449 -2.147 11.684 6.558 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.592 11.178 5.355 1.00 0.00 C ATOM 389 CE3 TRP A 449 -3.920 9.278 4.656 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.430 11.589 4.024 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -3.766 9.683 3.315 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.027 10.838 2.997 1.00 0.00 C ATOM 0 H TRP A 449 -3.126 9.460 10.224 1.00 0.00 H new ATOM 0 HA TRP A 449 -5.462 10.264 8.834 1.00 0.00 H new ATOM 0 HB2 TRP A 449 -3.256 8.215 8.448 1.00 0.00 H new ATOM 0 HB3 TRP A 449 -4.629 8.229 7.358 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -2.363 11.117 8.662 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -1.565 12.517 6.650 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -4.484 8.384 4.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -1.853 12.472 3.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -4.219 9.102 2.525 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -2.919 11.146 1.967 1.00 0.00 H new ATOM 403 N LYS A 450 -7.035 8.243 8.700 1.00 0.00 N ATOM 404 CA LYS A 450 -8.114 7.243 8.744 1.00 0.00 C ATOM 405 C LYS A 450 -8.357 6.636 7.356 1.00 0.00 C ATOM 406 O LYS A 450 -7.881 7.153 6.343 1.00 0.00 O ATOM 407 CB LYS A 450 -9.423 7.854 9.295 1.00 0.00 C ATOM 408 CG LYS A 450 -9.353 8.426 10.723 1.00 0.00 C ATOM 409 CD LYS A 450 -8.893 9.885 10.752 1.00 0.00 C ATOM 410 CE LYS A 450 -8.968 10.460 12.169 1.00 0.00 C ATOM 411 NZ LYS A 450 -8.302 11.785 12.234 1.00 0.00 N ATOM 0 H LYS A 450 -7.181 8.932 7.962 1.00 0.00 H new ATOM 0 HA LYS A 450 -7.796 6.449 9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 450 -9.741 8.650 8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 450 -10.197 7.087 9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 450 -10.335 8.350 11.189 1.00 0.00 H new ATOM 0 HG3 LYS A 450 -8.669 7.822 11.319 1.00 0.00 H new ATOM 0 HD2 LYS A 450 -7.870 9.954 10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 450 -9.515 10.479 10.082 1.00 0.00 H new ATOM 0 HE2 LYS A 450 -10.010 10.556 12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 450 -8.493 9.774 12.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 -8.334 12.142 13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 -7.311 11.691 11.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 -8.793 12.452 11.605 1.00 0.00 H new ATOM 425 N THR A 451 -9.181 5.590 7.290 1.00 0.00 N ATOM 426 CA THR A 451 -9.711 5.008 6.044 1.00 0.00 C ATOM 427 C THR A 451 -10.367 6.073 5.152 1.00 0.00 C ATOM 428 O THR A 451 -10.264 6.007 3.931 1.00 0.00 O ATOM 429 CB THR A 451 -10.736 3.904 6.357 1.00 0.00 C ATOM 430 OG1 THR A 451 -10.290 3.070 7.407 1.00 0.00 O ATOM 431 CG2 THR A 451 -11.014 3.003 5.156 1.00 0.00 C ATOM 0 H THR A 451 -9.512 5.105 8.124 1.00 0.00 H new ATOM 0 HA THR A 451 -8.866 4.581 5.504 1.00 0.00 H new ATOM 0 HB THR A 451 -11.647 4.431 6.638 1.00 0.00 H new ATOM 0 HG1 THR A 451 -10.962 2.379 7.584 1.00 0.00 H new ATOM 0 HG21 THR A 451 -11.744 2.242 5.433 1.00 0.00 H new ATOM 0 HG22 THR A 451 -11.408 3.602 4.335 1.00 0.00 H new ATOM 0 HG23 THR A 451 -10.089 2.520 4.841 1.00 0.00 H new ATOM 439 N SER A 452 -10.978 7.104 5.744 1.00 0.00 N ATOM 440 CA SER A 452 -11.534 8.258 5.024 1.00 0.00 C ATOM 441 C SER A 452 -10.483 9.106 4.296 1.00 0.00 C ATOM 442 O SER A 452 -10.692 9.486 3.144 1.00 0.00 O ATOM 443 CB SER A 452 -12.267 9.175 6.001 1.00 0.00 C ATOM 444 OG SER A 452 -13.382 8.509 6.576 1.00 0.00 O ATOM 0 H SER A 452 -11.103 7.163 6.755 1.00 0.00 H new ATOM 0 HA SER A 452 -12.203 7.837 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 452 -11.584 9.496 6.787 1.00 0.00 H new ATOM 0 HB3 SER A 452 -12.602 10.073 5.483 1.00 0.00 H new ATOM 0 HG SER A 452 -13.837 9.112 7.200 1.00 0.00 H new ATOM 450 N ASP A 453 -9.339 9.388 4.930 1.00 0.00 N ATOM 451 CA ASP A 453 -8.218 10.092 4.284 1.00 0.00 C ATOM 452 C ASP A 453 -7.595 9.241 3.166 1.00 0.00 C ATOM 453 O ASP A 453 -7.137 9.767 2.152 1.00 0.00 O ATOM 454 CB ASP A 453 -7.132 10.445 5.311 1.00 0.00 C ATOM 455 CG ASP A 453 -7.659 11.317 6.454 1.00 0.00 C ATOM 456 OD1 ASP A 453 -7.892 12.532 6.244 1.00 0.00 O ATOM 457 OD2 ASP A 453 -7.830 10.777 7.572 1.00 0.00 O ATOM 0 H ASP A 453 -9.161 9.137 5.903 1.00 0.00 H new ATOM 0 HA ASP A 453 -8.619 11.008 3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 453 -6.715 9.526 5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 453 -6.318 10.966 4.808 1.00 0.00 H new ATOM 462 N LEU A 454 -7.635 7.914 3.324 1.00 0.00 N ATOM 463 CA LEU A 454 -7.206 6.961 2.297 1.00 0.00 C ATOM 464 C LEU A 454 -8.181 6.943 1.104 1.00 0.00 C ATOM 465 O LEU A 454 -7.743 7.034 -0.043 1.00 0.00 O ATOM 466 CB LEU A 454 -7.005 5.573 2.938 1.00 0.00 C ATOM 467 CG LEU A 454 -5.747 5.470 3.823 1.00 0.00 C ATOM 468 CD1 LEU A 454 -5.761 4.146 4.589 1.00 0.00 C ATOM 469 CD2 LEU A 454 -4.454 5.526 3.002 1.00 0.00 C ATOM 0 H LEU A 454 -7.970 7.467 4.178 1.00 0.00 H new ATOM 0 HA LEU A 454 -6.248 7.276 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 454 -7.881 5.331 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 454 -6.944 4.824 2.148 1.00 0.00 H new ATOM 0 HG LEU A 454 -5.768 6.321 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -4.870 4.077 5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -6.650 4.099 5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -5.773 3.317 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 454 -3.596 5.450 3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 454 -4.437 4.698 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 454 -4.409 6.470 2.459 1.00 0.00 H new ATOM 481 N TYR A 455 -9.498 6.939 1.337 1.00 0.00 N ATOM 482 CA TYR A 455 -10.489 7.152 0.274 1.00 0.00 C ATOM 483 C TYR A 455 -10.299 8.503 -0.435 1.00 0.00 C ATOM 484 O TYR A 455 -10.387 8.557 -1.660 1.00 0.00 O ATOM 485 CB TYR A 455 -11.924 7.014 0.816 1.00 0.00 C ATOM 486 CG TYR A 455 -12.488 5.608 0.726 1.00 0.00 C ATOM 487 CD1 TYR A 455 -12.835 5.077 -0.534 1.00 0.00 C ATOM 488 CD2 TYR A 455 -12.691 4.837 1.888 1.00 0.00 C ATOM 489 CE1 TYR A 455 -13.358 3.773 -0.634 1.00 0.00 C ATOM 490 CE2 TYR A 455 -13.214 3.532 1.792 1.00 0.00 C ATOM 491 CZ TYR A 455 -13.542 2.993 0.528 1.00 0.00 C ATOM 492 OH TYR A 455 -14.044 1.732 0.423 1.00 0.00 O ATOM 0 H TYR A 455 -9.906 6.789 2.260 1.00 0.00 H new ATOM 0 HA TYR A 455 -10.327 6.372 -0.470 1.00 0.00 H new ATOM 0 HB2 TYR A 455 -11.940 7.334 1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 455 -12.576 7.691 0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 455 -12.699 5.672 -1.425 1.00 0.00 H new ATOM 0 HD2 TYR A 455 -12.445 5.248 2.856 1.00 0.00 H new ATOM 0 HE1 TYR A 455 -13.619 3.369 -1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 455 -13.364 2.944 2.685 1.00 0.00 H new ATOM 0 HH TYR A 455 -14.108 1.330 1.314 1.00 0.00 H new ATOM 502 N GLN A 456 -9.981 9.580 0.291 1.00 0.00 N ATOM 503 CA GLN A 456 -9.687 10.896 -0.296 1.00 0.00 C ATOM 504 C GLN A 456 -8.399 10.903 -1.151 1.00 0.00 C ATOM 505 O GLN A 456 -8.344 11.588 -2.176 1.00 0.00 O ATOM 506 CB GLN A 456 -9.629 11.942 0.831 1.00 0.00 C ATOM 507 CG GLN A 456 -9.590 13.385 0.302 1.00 0.00 C ATOM 508 CD GLN A 456 -9.663 14.421 1.427 1.00 0.00 C ATOM 509 OE1 GLN A 456 -8.970 14.348 2.435 1.00 0.00 O ATOM 510 NE2 GLN A 456 -10.500 15.432 1.306 1.00 0.00 N ATOM 0 H GLN A 456 -9.919 9.565 1.309 1.00 0.00 H new ATOM 0 HA GLN A 456 -10.490 11.148 -0.989 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -10.497 11.820 1.479 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.746 11.760 1.444 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -8.673 13.536 -0.268 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -10.422 13.540 -0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -11.086 15.512 0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -10.561 16.134 2.043 1.00 0.00 H new ATOM 519 N LEU A 457 -7.378 10.126 -0.772 1.00 0.00 N ATOM 520 CA LEU A 457 -6.123 9.971 -1.523 1.00 0.00 C ATOM 521 C LEU A 457 -6.298 9.177 -2.836 1.00 0.00 C ATOM 522 O LEU A 457 -5.604 9.452 -3.817 1.00 0.00 O ATOM 523 CB LEU A 457 -5.079 9.324 -0.586 1.00 0.00 C ATOM 524 CG LEU A 457 -3.701 9.037 -1.214 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.026 10.293 -1.765 1.00 0.00 C ATOM 526 CD2 LEU A 457 -2.765 8.427 -0.169 1.00 0.00 C ATOM 0 H LEU A 457 -7.400 9.574 0.085 1.00 0.00 H new ATOM 0 HA LEU A 457 -5.777 10.955 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -4.936 9.978 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.488 8.386 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.881 8.348 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.060 10.028 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.656 10.736 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -2.880 11.011 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -1.794 8.228 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.642 9.124 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.191 7.494 0.201 1.00 0.00 H new ATOM 538 N PHE A 458 -7.241 8.229 -2.881 1.00 0.00 N ATOM 539 CA PHE A 458 -7.400 7.270 -3.990 1.00 0.00 C ATOM 540 C PHE A 458 -8.742 7.375 -4.754 1.00 0.00 C ATOM 541 O PHE A 458 -9.000 6.581 -5.663 1.00 0.00 O ATOM 542 CB PHE A 458 -7.133 5.854 -3.450 1.00 0.00 C ATOM 543 CG PHE A 458 -5.678 5.560 -3.131 1.00 0.00 C ATOM 544 CD1 PHE A 458 -4.796 5.196 -4.165 1.00 0.00 C ATOM 545 CD2 PHE A 458 -5.201 5.617 -1.808 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.451 4.906 -3.884 1.00 0.00 C ATOM 547 CE2 PHE A 458 -3.855 5.332 -1.526 1.00 0.00 C ATOM 548 CZ PHE A 458 -2.977 4.975 -2.563 1.00 0.00 C ATOM 0 H PHE A 458 -7.928 8.101 -2.138 1.00 0.00 H new ATOM 0 HA PHE A 458 -6.665 7.523 -4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 458 -7.726 5.707 -2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -7.484 5.128 -4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -5.156 5.139 -5.182 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -5.874 5.881 -1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.780 4.630 -4.684 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -3.494 5.387 -0.510 1.00 0.00 H new ATOM 0 HZ PHE A 458 -1.942 4.755 -2.346 1.00 0.00 H new ATOM 558 N SER A 459 -9.585 8.370 -4.455 1.00 0.00 N ATOM 559 CA SER A 459 -10.878 8.616 -5.131 1.00 0.00 C ATOM 560 C SER A 459 -10.775 8.827 -6.651 1.00 0.00 C ATOM 561 O SER A 459 -11.725 8.525 -7.381 1.00 0.00 O ATOM 562 CB SER A 459 -11.590 9.824 -4.507 1.00 0.00 C ATOM 563 OG SER A 459 -10.789 10.993 -4.605 1.00 0.00 O ATOM 0 H SER A 459 -9.388 9.047 -3.718 1.00 0.00 H new ATOM 0 HA SER A 459 -11.453 7.702 -4.981 1.00 0.00 H new ATOM 0 HB2 SER A 459 -12.543 9.989 -5.010 1.00 0.00 H new ATOM 0 HB3 SER A 459 -11.813 9.618 -3.460 1.00 0.00 H new ATOM 0 HG SER A 459 -11.264 11.750 -4.202 1.00 0.00 H new ATOM 569 N ALA A 460 -9.618 9.281 -7.145 1.00 0.00 N ATOM 570 CA ALA A 460 -9.311 9.463 -8.568 1.00 0.00 C ATOM 571 C ALA A 460 -9.414 8.175 -9.421 1.00 0.00 C ATOM 572 O ALA A 460 -9.486 8.257 -10.651 1.00 0.00 O ATOM 573 CB ALA A 460 -7.908 10.076 -8.670 1.00 0.00 C ATOM 0 H ALA A 460 -8.839 9.542 -6.541 1.00 0.00 H new ATOM 0 HA ALA A 460 -10.070 10.124 -8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -7.651 10.224 -9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -7.892 11.036 -8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -7.183 9.404 -8.210 1.00 0.00 H new ATOM 579 N PHE A 461 -9.446 6.995 -8.788 1.00 0.00 N ATOM 580 CA PHE A 461 -9.464 5.682 -9.448 1.00 0.00 C ATOM 581 C PHE A 461 -10.857 5.018 -9.491 1.00 0.00 C ATOM 582 O PHE A 461 -11.000 3.903 -9.997 1.00 0.00 O ATOM 583 CB PHE A 461 -8.391 4.805 -8.784 1.00 0.00 C ATOM 584 CG PHE A 461 -7.003 5.423 -8.862 1.00 0.00 C ATOM 585 CD1 PHE A 461 -6.432 5.719 -10.115 1.00 0.00 C ATOM 586 CD2 PHE A 461 -6.309 5.769 -7.687 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.177 6.345 -10.194 1.00 0.00 C ATOM 588 CE2 PHE A 461 -5.052 6.398 -7.766 1.00 0.00 C ATOM 589 CZ PHE A 461 -4.483 6.683 -9.019 1.00 0.00 C ATOM 0 H PHE A 461 -9.461 6.925 -7.770 1.00 0.00 H new ATOM 0 HA PHE A 461 -9.227 5.815 -10.504 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -8.655 4.643 -7.739 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -8.377 3.827 -9.265 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -6.962 5.463 -11.020 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -6.742 5.551 -6.722 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.745 6.567 -11.159 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.524 6.662 -6.862 1.00 0.00 H new ATOM 0 HZ PHE A 461 -3.516 7.160 -9.079 1.00 0.00 H new ATOM 599 N GLY A 462 -11.894 5.707 -8.997 1.00 0.00 N ATOM 600 CA GLY A 462 -13.313 5.350 -9.140 1.00 0.00 C ATOM 601 C GLY A 462 -13.833 4.337 -8.113 1.00 0.00 C ATOM 602 O GLY A 462 -14.862 4.578 -7.477 1.00 0.00 O ATOM 0 H GLY A 462 -11.762 6.566 -8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -13.910 6.259 -9.066 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -13.471 4.945 -10.140 1.00 0.00 H new ATOM 606 N ASN A 463 -13.114 3.228 -7.913 1.00 0.00 N ATOM 607 CA ASN A 463 -13.422 2.199 -6.913 1.00 0.00 C ATOM 608 C ASN A 463 -12.144 1.471 -6.454 1.00 0.00 C ATOM 609 O ASN A 463 -11.261 1.178 -7.267 1.00 0.00 O ATOM 610 CB ASN A 463 -14.446 1.214 -7.513 1.00 0.00 C ATOM 611 CG ASN A 463 -14.959 0.206 -6.495 1.00 0.00 C ATOM 612 OD1 ASN A 463 -15.128 0.498 -5.318 1.00 0.00 O ATOM 613 ND2 ASN A 463 -15.220 -1.015 -6.906 1.00 0.00 N ATOM 0 H ASN A 463 -12.278 3.015 -8.457 1.00 0.00 H new ATOM 0 HA ASN A 463 -13.852 2.669 -6.028 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -15.288 1.775 -7.919 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -13.987 0.681 -8.346 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -15.561 -1.713 -6.246 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -15.081 -1.264 -7.885 1.00 0.00 H new ATOM 620 N ILE A 464 -12.054 1.180 -5.152 1.00 0.00 N ATOM 621 CA ILE A 464 -10.860 0.657 -4.463 1.00 0.00 C ATOM 622 C ILE A 464 -11.234 -0.309 -3.320 1.00 0.00 C ATOM 623 O ILE A 464 -12.408 -0.454 -2.971 1.00 0.00 O ATOM 624 CB ILE A 464 -9.989 1.825 -3.918 1.00 0.00 C ATOM 625 CG1 ILE A 464 -10.690 2.613 -2.785 1.00 0.00 C ATOM 626 CG2 ILE A 464 -9.534 2.759 -5.054 1.00 0.00 C ATOM 627 CD1 ILE A 464 -9.828 3.725 -2.181 1.00 0.00 C ATOM 0 H ILE A 464 -12.843 1.307 -4.518 1.00 0.00 H new ATOM 0 HA ILE A 464 -10.282 0.094 -5.196 1.00 0.00 H new ATOM 0 HB ILE A 464 -9.101 1.373 -3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -11.610 3.050 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -10.976 1.918 -1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -8.927 3.565 -4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -8.944 2.194 -5.776 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -10.408 3.180 -5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -10.387 4.232 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -8.920 3.293 -1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -9.563 4.442 -2.958 1.00 0.00 H new ATOM 639 N GLN A 465 -10.228 -0.924 -2.694 1.00 0.00 N ATOM 640 CA GLN A 465 -10.356 -1.696 -1.448 1.00 0.00 C ATOM 641 C GLN A 465 -9.139 -1.393 -0.555 1.00 0.00 C ATOM 642 O GLN A 465 -8.022 -1.288 -1.062 1.00 0.00 O ATOM 643 CB GLN A 465 -10.478 -3.198 -1.793 1.00 0.00 C ATOM 644 CG GLN A 465 -11.166 -4.056 -0.716 1.00 0.00 C ATOM 645 CD GLN A 465 -10.365 -4.182 0.579 1.00 0.00 C ATOM 646 OE1 GLN A 465 -9.161 -4.407 0.587 1.00 0.00 O ATOM 647 NE2 GLN A 465 -10.986 -3.990 1.723 1.00 0.00 N ATOM 0 H GLN A 465 -9.272 -0.900 -3.048 1.00 0.00 H new ATOM 0 HA GLN A 465 -11.254 -1.415 -0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 465 -11.033 -3.298 -2.726 1.00 0.00 H new ATOM 0 HB3 GLN A 465 -9.480 -3.597 -1.972 1.00 0.00 H new ATOM 0 HG2 GLN A 465 -12.140 -3.624 -0.489 1.00 0.00 H new ATOM 0 HG3 GLN A 465 -11.346 -5.053 -1.119 1.00 0.00 H new ATOM 0 HE21 GLN A 465 -11.988 -3.802 1.734 1.00 0.00 H new ATOM 0 HE22 GLN A 465 -10.465 -4.030 2.599 1.00 0.00 H new ATOM 656 N ILE A 466 -9.337 -1.243 0.759 1.00 0.00 N ATOM 657 CA ILE A 466 -8.298 -0.849 1.729 1.00 0.00 C ATOM 658 C ILE A 466 -8.150 -1.948 2.796 1.00 0.00 C ATOM 659 O ILE A 466 -9.140 -2.383 3.393 1.00 0.00 O ATOM 660 CB ILE A 466 -8.646 0.524 2.358 1.00 0.00 C ATOM 661 CG1 ILE A 466 -8.794 1.631 1.281 1.00 0.00 C ATOM 662 CG2 ILE A 466 -7.568 0.926 3.388 1.00 0.00 C ATOM 663 CD1 ILE A 466 -9.432 2.927 1.798 1.00 0.00 C ATOM 0 H ILE A 466 -10.247 -1.395 1.193 1.00 0.00 H new ATOM 0 HA ILE A 466 -7.340 -0.739 1.221 1.00 0.00 H new ATOM 0 HB ILE A 466 -9.607 0.422 2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 466 -7.809 1.861 0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 466 -9.397 1.245 0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 466 -7.823 1.892 3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 466 -7.519 0.174 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 466 -6.600 0.996 2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 466 -9.499 3.649 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 466 -10.431 2.714 2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 466 -8.819 3.340 2.599 1.00 0.00 H new ATOM 675 N SER A 467 -6.912 -2.382 3.053 1.00 0.00 N ATOM 676 CA SER A 467 -6.567 -3.465 3.986 1.00 0.00 C ATOM 677 C SER A 467 -5.382 -3.077 4.877 1.00 0.00 C ATOM 678 O SER A 467 -4.223 -3.143 4.462 1.00 0.00 O ATOM 679 CB SER A 467 -6.250 -4.754 3.216 1.00 0.00 C ATOM 680 OG SER A 467 -7.433 -5.399 2.772 1.00 0.00 O ATOM 0 H SER A 467 -6.092 -1.976 2.602 1.00 0.00 H new ATOM 0 HA SER A 467 -7.430 -3.638 4.629 1.00 0.00 H new ATOM 0 HB2 SER A 467 -5.618 -4.521 2.359 1.00 0.00 H new ATOM 0 HB3 SER A 467 -5.683 -5.431 3.855 1.00 0.00 H new ATOM 0 HG SER A 467 -7.833 -4.883 2.041 1.00 0.00 H new ATOM 686 N TRP A 468 -5.670 -2.655 6.110 1.00 0.00 N ATOM 687 CA TRP A 468 -4.673 -2.324 7.136 1.00 0.00 C ATOM 688 C TRP A 468 -3.716 -3.481 7.462 1.00 0.00 C ATOM 689 O TRP A 468 -4.100 -4.654 7.408 1.00 0.00 O ATOM 690 CB TRP A 468 -5.399 -1.931 8.427 1.00 0.00 C ATOM 691 CG TRP A 468 -6.276 -0.719 8.356 1.00 0.00 C ATOM 692 CD1 TRP A 468 -7.618 -0.718 8.195 1.00 0.00 C ATOM 693 CD2 TRP A 468 -5.900 0.678 8.532 1.00 0.00 C ATOM 694 NE1 TRP A 468 -8.083 0.584 8.171 1.00 0.00 N ATOM 695 CE2 TRP A 468 -7.065 1.487 8.380 1.00 0.00 C ATOM 696 CE3 TRP A 468 -4.698 1.337 8.856 1.00 0.00 C ATOM 697 CZ2 TRP A 468 -7.026 2.886 8.484 1.00 0.00 C ATOM 698 CZ3 TRP A 468 -4.658 2.736 8.993 1.00 0.00 C ATOM 699 CH2 TRP A 468 -5.807 3.517 8.781 1.00 0.00 C ATOM 0 H TRP A 468 -6.629 -2.530 6.433 1.00 0.00 H new ATOM 0 HA TRP A 468 -4.074 -1.507 6.733 1.00 0.00 H new ATOM 0 HB2 TRP A 468 -6.009 -2.776 8.746 1.00 0.00 H new ATOM 0 HB3 TRP A 468 -4.651 -1.767 9.203 1.00 0.00 H new ATOM 0 HD1 TRP A 468 -8.234 -1.600 8.100 1.00 0.00 H new ATOM 0 HE1 TRP A 468 -9.058 0.843 8.018 1.00 0.00 H new ATOM 0 HE3 TRP A 468 -3.796 0.761 9.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 -7.922 3.470 8.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 -3.730 3.217 9.265 1.00 0.00 H new ATOM 0 HH2 TRP A 468 -5.753 4.594 8.846 1.00 0.00 H new ATOM 710 N ILE A 469 -2.499 -3.139 7.902 1.00 0.00 N ATOM 711 CA ILE A 469 -1.520 -4.076 8.475 1.00 0.00 C ATOM 712 C ILE A 469 -0.863 -3.552 9.765 1.00 0.00 C ATOM 713 O ILE A 469 -0.486 -4.354 10.620 1.00 0.00 O ATOM 714 CB ILE A 469 -0.451 -4.484 7.438 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.200 -3.294 6.698 1.00 0.00 C ATOM 716 CG2 ILE A 469 -1.061 -5.481 6.443 1.00 0.00 C ATOM 717 CD1 ILE A 469 1.425 -3.693 5.868 1.00 0.00 C ATOM 0 H ILE A 469 -2.157 -2.178 7.869 1.00 0.00 H new ATOM 0 HA ILE A 469 -2.086 -4.965 8.753 1.00 0.00 H new ATOM 0 HB ILE A 469 0.362 -4.952 7.992 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -0.540 -2.834 6.043 1.00 0.00 H new ATOM 0 HG13 ILE A 469 0.494 -2.539 7.427 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.308 -5.770 5.710 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -1.405 -6.366 6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -1.904 -5.016 5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 469 1.833 -2.811 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 469 2.182 -4.126 6.522 1.00 0.00 H new ATOM 0 HD13 ILE A 469 1.132 -4.426 5.116 1.00 0.00 H new ATOM 729 N ASP A 470 -0.790 -2.231 9.956 1.00 0.00 N ATOM 730 CA ASP A 470 -0.393 -1.580 11.214 1.00 0.00 C ATOM 731 C ASP A 470 -0.954 -0.140 11.328 1.00 0.00 C ATOM 732 O ASP A 470 -1.654 0.341 10.435 1.00 0.00 O ATOM 733 CB ASP A 470 1.139 -1.622 11.373 1.00 0.00 C ATOM 734 CG ASP A 470 1.869 -0.721 10.370 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.930 0.501 10.622 1.00 0.00 O ATOM 736 OD2 ASP A 470 2.400 -1.230 9.355 1.00 0.00 O ATOM 0 H ASP A 470 -1.012 -1.562 9.218 1.00 0.00 H new ATOM 0 HA ASP A 470 -0.834 -2.139 12.039 1.00 0.00 H new ATOM 0 HB2 ASP A 470 1.402 -1.317 12.386 1.00 0.00 H new ATOM 0 HB3 ASP A 470 1.484 -2.649 11.249 1.00 0.00 H new ATOM 741 N ASP A 471 -0.675 0.556 12.435 1.00 0.00 N ATOM 742 CA ASP A 471 -1.223 1.894 12.732 1.00 0.00 C ATOM 743 C ASP A 471 -0.767 3.027 11.789 1.00 0.00 C ATOM 744 O ASP A 471 -1.381 4.097 11.799 1.00 0.00 O ATOM 745 CB ASP A 471 -0.885 2.281 14.180 1.00 0.00 C ATOM 746 CG ASP A 471 -1.510 1.326 15.204 1.00 0.00 C ATOM 747 OD1 ASP A 471 -2.739 1.085 15.132 1.00 0.00 O ATOM 748 OD2 ASP A 471 -0.776 0.826 16.092 1.00 0.00 O ATOM 0 H ASP A 471 -0.054 0.205 13.164 1.00 0.00 H new ATOM 0 HA ASP A 471 -2.297 1.797 12.574 1.00 0.00 H new ATOM 0 HB2 ASP A 471 0.197 2.288 14.308 1.00 0.00 H new ATOM 0 HB3 ASP A 471 -1.235 3.295 14.373 1.00 0.00 H new ATOM 753 N THR A 472 0.274 2.825 10.973 1.00 0.00 N ATOM 754 CA THR A 472 0.854 3.835 10.062 1.00 0.00 C ATOM 755 C THR A 472 1.089 3.314 8.635 1.00 0.00 C ATOM 756 O THR A 472 1.643 4.040 7.802 1.00 0.00 O ATOM 757 CB THR A 472 2.155 4.444 10.628 1.00 0.00 C ATOM 758 OG1 THR A 472 3.123 3.460 10.934 1.00 0.00 O ATOM 759 CG2 THR A 472 1.901 5.248 11.904 1.00 0.00 C ATOM 0 H THR A 472 0.756 1.927 10.922 1.00 0.00 H new ATOM 0 HA THR A 472 0.100 4.619 9.994 1.00 0.00 H new ATOM 0 HB THR A 472 2.529 5.096 9.838 1.00 0.00 H new ATOM 0 HG1 THR A 472 2.759 2.571 10.739 1.00 0.00 H new ATOM 0 HG21 THR A 472 2.842 5.659 12.269 1.00 0.00 H new ATOM 0 HG22 THR A 472 1.209 6.062 11.689 1.00 0.00 H new ATOM 0 HG23 THR A 472 1.470 4.597 12.665 1.00 0.00 H new ATOM 767 N SER A 473 0.646 2.090 8.308 1.00 0.00 N ATOM 768 CA SER A 473 0.691 1.561 6.938 1.00 0.00 C ATOM 769 C SER A 473 -0.417 0.541 6.611 1.00 0.00 C ATOM 770 O SER A 473 -0.947 -0.155 7.486 1.00 0.00 O ATOM 771 CB SER A 473 2.096 1.021 6.616 1.00 0.00 C ATOM 772 OG SER A 473 2.226 -0.382 6.756 1.00 0.00 O ATOM 0 H SER A 473 0.247 1.441 8.986 1.00 0.00 H new ATOM 0 HA SER A 473 0.480 2.403 6.279 1.00 0.00 H new ATOM 0 HB2 SER A 473 2.354 1.298 5.594 1.00 0.00 H new ATOM 0 HB3 SER A 473 2.819 1.508 7.270 1.00 0.00 H new ATOM 0 HG SER A 473 2.396 -0.603 7.696 1.00 0.00 H new ATOM 778 N ALA A 474 -0.787 0.472 5.328 1.00 0.00 N ATOM 779 CA ALA A 474 -1.890 -0.341 4.805 1.00 0.00 C ATOM 780 C ALA A 474 -1.693 -0.686 3.315 1.00 0.00 C ATOM 781 O ALA A 474 -0.976 0.016 2.597 1.00 0.00 O ATOM 782 CB ALA A 474 -3.196 0.449 4.987 1.00 0.00 C ATOM 0 H ALA A 474 -0.309 1.000 4.598 1.00 0.00 H new ATOM 0 HA ALA A 474 -1.924 -1.283 5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -4.032 -0.137 4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -3.352 0.655 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -3.132 1.389 4.440 1.00 0.00 H new ATOM 788 N PHE A 475 -2.366 -1.733 2.831 1.00 0.00 N ATOM 789 CA PHE A 475 -2.478 -2.029 1.401 1.00 0.00 C ATOM 790 C PHE A 475 -3.710 -1.337 0.796 1.00 0.00 C ATOM 791 O PHE A 475 -4.723 -1.146 1.478 1.00 0.00 O ATOM 792 CB PHE A 475 -2.583 -3.542 1.151 1.00 0.00 C ATOM 793 CG PHE A 475 -1.371 -4.353 1.562 1.00 0.00 C ATOM 794 CD1 PHE A 475 -0.159 -4.212 0.858 1.00 0.00 C ATOM 795 CD2 PHE A 475 -1.467 -5.290 2.609 1.00 0.00 C ATOM 796 CE1 PHE A 475 0.960 -4.985 1.215 1.00 0.00 C ATOM 797 CE2 PHE A 475 -0.356 -6.084 2.945 1.00 0.00 C ATOM 798 CZ PHE A 475 0.857 -5.926 2.254 1.00 0.00 C ATOM 0 H PHE A 475 -2.852 -2.404 3.425 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.575 -1.651 0.923 1.00 0.00 H new ATOM 0 HB2 PHE A 475 -3.453 -3.922 1.687 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -2.766 -3.706 0.089 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -0.089 -3.508 0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 475 -2.393 -5.399 3.154 1.00 0.00 H new ATOM 0 HE1 PHE A 475 1.896 -4.856 0.692 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -0.435 -6.816 3.735 1.00 0.00 H new ATOM 0 HZ PHE A 475 1.712 -6.529 2.522 1.00 0.00 H new ATOM 808 N VAL A 476 -3.653 -1.031 -0.504 1.00 0.00 N ATOM 809 CA VAL A 476 -4.767 -0.471 -1.289 1.00 0.00 C ATOM 810 C VAL A 476 -4.840 -1.165 -2.651 1.00 0.00 C ATOM 811 O VAL A 476 -3.917 -1.078 -3.460 1.00 0.00 O ATOM 812 CB VAL A 476 -4.657 1.063 -1.448 1.00 0.00 C ATOM 813 CG1 VAL A 476 -5.843 1.624 -2.249 1.00 0.00 C ATOM 814 CG2 VAL A 476 -4.653 1.773 -0.087 1.00 0.00 C ATOM 0 H VAL A 476 -2.808 -1.169 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 476 -5.692 -0.659 -0.743 1.00 0.00 H new ATOM 0 HB VAL A 476 -3.719 1.247 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.739 2.705 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -5.859 1.172 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -6.774 1.394 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -4.574 2.850 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.578 1.548 0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -3.804 1.427 0.502 1.00 0.00 H new ATOM 824 N SER A 477 -5.941 -1.871 -2.900 1.00 0.00 N ATOM 825 CA SER A 477 -6.279 -2.473 -4.195 1.00 0.00 C ATOM 826 C SER A 477 -6.981 -1.451 -5.096 1.00 0.00 C ATOM 827 O SER A 477 -7.830 -0.694 -4.618 1.00 0.00 O ATOM 828 CB SER A 477 -7.227 -3.651 -3.962 1.00 0.00 C ATOM 829 OG SER A 477 -7.318 -4.450 -5.124 1.00 0.00 O ATOM 0 H SER A 477 -6.647 -2.047 -2.185 1.00 0.00 H new ATOM 0 HA SER A 477 -5.361 -2.806 -4.679 1.00 0.00 H new ATOM 0 HB2 SER A 477 -6.870 -4.253 -3.126 1.00 0.00 H new ATOM 0 HB3 SER A 477 -8.216 -3.282 -3.689 1.00 0.00 H new ATOM 0 HG SER A 477 -7.927 -5.200 -4.958 1.00 0.00 H new ATOM 835 N LEU A 478 -6.671 -1.455 -6.395 1.00 0.00 N ATOM 836 CA LEU A 478 -7.256 -0.565 -7.410 1.00 0.00 C ATOM 837 C LEU A 478 -8.021 -1.360 -8.487 1.00 0.00 C ATOM 838 O LEU A 478 -7.881 -2.581 -8.603 1.00 0.00 O ATOM 839 CB LEU A 478 -6.149 0.312 -8.032 1.00 0.00 C ATOM 840 CG LEU A 478 -5.355 1.204 -7.057 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.398 2.089 -7.854 1.00 0.00 C ATOM 842 CD2 LEU A 478 -6.240 2.137 -6.230 1.00 0.00 C ATOM 0 H LEU A 478 -5.983 -2.099 -6.786 1.00 0.00 H new ATOM 0 HA LEU A 478 -7.984 0.085 -6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -5.445 -0.341 -8.549 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -6.604 0.952 -8.788 1.00 0.00 H new ATOM 0 HG LEU A 478 -4.837 0.527 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -3.833 2.723 -7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -3.709 1.462 -8.420 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.968 2.715 -8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -5.617 2.736 -5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -6.797 2.796 -6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -6.938 1.546 -5.638 1.00 0.00 H new ATOM 854 N SER A 479 -8.845 -0.667 -9.279 1.00 0.00 N ATOM 855 CA SER A 479 -9.756 -1.273 -10.267 1.00 0.00 C ATOM 856 C SER A 479 -9.035 -2.040 -11.391 1.00 0.00 C ATOM 857 O SER A 479 -9.547 -3.060 -11.865 1.00 0.00 O ATOM 858 CB SER A 479 -10.662 -0.185 -10.860 1.00 0.00 C ATOM 859 OG SER A 479 -11.742 -0.746 -11.592 1.00 0.00 O ATOM 0 H SER A 479 -8.902 0.351 -9.254 1.00 0.00 H new ATOM 0 HA SER A 479 -10.349 -2.016 -9.734 1.00 0.00 H new ATOM 0 HB2 SER A 479 -11.052 0.442 -10.058 1.00 0.00 H new ATOM 0 HB3 SER A 479 -10.076 0.461 -11.513 1.00 0.00 H new ATOM 0 HG SER A 479 -12.300 -0.027 -11.955 1.00 0.00 H new ATOM 865 N GLN A 480 -7.833 -1.601 -11.794 1.00 0.00 N ATOM 866 CA GLN A 480 -6.995 -2.284 -12.795 1.00 0.00 C ATOM 867 C GLN A 480 -5.484 -2.010 -12.604 1.00 0.00 C ATOM 868 O GLN A 480 -5.126 -0.976 -12.027 1.00 0.00 O ATOM 869 CB GLN A 480 -7.460 -1.892 -14.215 1.00 0.00 C ATOM 870 CG GLN A 480 -7.332 -0.395 -14.540 1.00 0.00 C ATOM 871 CD GLN A 480 -7.756 -0.090 -15.976 1.00 0.00 C ATOM 872 OE1 GLN A 480 -7.144 -0.532 -16.941 1.00 0.00 O ATOM 873 NE2 GLN A 480 -8.810 0.673 -16.183 1.00 0.00 N ATOM 0 H GLN A 480 -7.408 -0.749 -11.429 1.00 0.00 H new ATOM 0 HA GLN A 480 -7.123 -3.357 -12.655 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -6.880 -2.459 -14.943 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -8.502 -2.189 -14.337 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -7.947 0.181 -13.849 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -6.300 -0.077 -14.390 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -9.331 1.049 -15.391 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -9.105 0.887 -17.136 1.00 0.00 H new ATOM 882 N PRO A 481 -4.582 -2.884 -13.109 1.00 0.00 N ATOM 883 CA PRO A 481 -3.124 -2.717 -13.020 1.00 0.00 C ATOM 884 C PRO A 481 -2.580 -1.377 -13.531 1.00 0.00 C ATOM 885 O PRO A 481 -1.599 -0.871 -12.994 1.00 0.00 O ATOM 886 CB PRO A 481 -2.518 -3.865 -13.835 1.00 0.00 C ATOM 887 CG PRO A 481 -3.584 -4.950 -13.773 1.00 0.00 C ATOM 888 CD PRO A 481 -4.889 -4.159 -13.750 1.00 0.00 C ATOM 0 HA PRO A 481 -2.849 -2.730 -11.965 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -2.313 -3.563 -14.862 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -1.574 -4.205 -13.408 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -3.532 -5.615 -14.635 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -3.474 -5.571 -12.884 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -5.269 -4.005 -14.760 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -5.660 -4.696 -13.198 1.00 0.00 H new ATOM 896 N GLU A 482 -3.199 -0.782 -14.554 1.00 0.00 N ATOM 897 CA GLU A 482 -2.770 0.504 -15.136 1.00 0.00 C ATOM 898 C GLU A 482 -2.744 1.659 -14.112 1.00 0.00 C ATOM 899 O GLU A 482 -1.851 2.508 -14.145 1.00 0.00 O ATOM 900 CB GLU A 482 -3.686 0.837 -16.328 1.00 0.00 C ATOM 901 CG GLU A 482 -3.206 2.051 -17.134 1.00 0.00 C ATOM 902 CD GLU A 482 -4.070 2.259 -18.394 1.00 0.00 C ATOM 903 OE1 GLU A 482 -3.734 1.698 -19.467 1.00 0.00 O ATOM 904 OE2 GLU A 482 -5.083 2.997 -18.327 1.00 0.00 O ATOM 0 H GLU A 482 -4.021 -1.179 -15.010 1.00 0.00 H new ATOM 0 HA GLU A 482 -1.739 0.394 -15.473 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -3.744 -0.029 -16.987 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -4.695 1.027 -15.962 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -3.246 2.944 -16.510 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -2.164 1.911 -17.423 1.00 0.00 H new ATOM 911 N GLN A 483 -3.689 1.668 -13.165 1.00 0.00 N ATOM 912 CA GLN A 483 -3.835 2.718 -12.148 1.00 0.00 C ATOM 913 C GLN A 483 -2.704 2.711 -11.098 1.00 0.00 C ATOM 914 O GLN A 483 -2.405 3.745 -10.498 1.00 0.00 O ATOM 915 CB GLN A 483 -5.202 2.561 -11.466 1.00 0.00 C ATOM 916 CG GLN A 483 -6.385 2.761 -12.431 1.00 0.00 C ATOM 917 CD GLN A 483 -7.737 2.538 -11.754 1.00 0.00 C ATOM 918 OE1 GLN A 483 -7.917 1.648 -10.935 1.00 0.00 O ATOM 919 NE2 GLN A 483 -8.746 3.324 -12.066 1.00 0.00 N ATOM 0 H GLN A 483 -4.389 0.931 -13.082 1.00 0.00 H new ATOM 0 HA GLN A 483 -3.767 3.681 -12.654 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.268 1.568 -11.021 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.280 3.281 -10.651 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -6.349 3.771 -12.840 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -6.285 2.073 -13.271 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -8.618 4.073 -12.747 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -9.656 3.184 -11.627 1.00 0.00 H new ATOM 928 N VAL A 484 -2.037 1.567 -10.906 1.00 0.00 N ATOM 929 CA VAL A 484 -0.899 1.391 -9.981 1.00 0.00 C ATOM 930 C VAL A 484 0.259 2.328 -10.346 1.00 0.00 C ATOM 931 O VAL A 484 0.809 3.005 -9.477 1.00 0.00 O ATOM 932 CB VAL A 484 -0.447 -0.086 -9.993 1.00 0.00 C ATOM 933 CG1 VAL A 484 0.753 -0.412 -9.103 1.00 0.00 C ATOM 934 CG2 VAL A 484 -1.590 -0.995 -9.522 1.00 0.00 C ATOM 0 H VAL A 484 -2.277 0.709 -11.403 1.00 0.00 H new ATOM 0 HA VAL A 484 -1.220 1.652 -8.973 1.00 0.00 H new ATOM 0 HB VAL A 484 -0.155 -0.260 -11.029 1.00 0.00 H new ATOM 0 HG11 VAL A 484 0.988 -1.473 -9.184 1.00 0.00 H new ATOM 0 HG12 VAL A 484 1.613 0.176 -9.423 1.00 0.00 H new ATOM 0 HG13 VAL A 484 0.514 -0.172 -8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -1.258 -2.033 -9.535 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -1.880 -0.719 -8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -2.445 -0.879 -10.188 1.00 0.00 H new ATOM 944 N GLN A 485 0.589 2.436 -11.638 1.00 0.00 N ATOM 945 CA GLN A 485 1.656 3.317 -12.134 1.00 0.00 C ATOM 946 C GLN A 485 1.315 4.803 -11.939 1.00 0.00 C ATOM 947 O GLN A 485 2.200 5.601 -11.630 1.00 0.00 O ATOM 948 CB GLN A 485 1.942 3.032 -13.623 1.00 0.00 C ATOM 949 CG GLN A 485 2.698 1.713 -13.875 1.00 0.00 C ATOM 950 CD GLN A 485 1.893 0.473 -13.499 1.00 0.00 C ATOM 951 OE1 GLN A 485 2.243 -0.292 -12.610 1.00 0.00 O ATOM 952 NE2 GLN A 485 0.756 0.263 -14.125 1.00 0.00 N ATOM 0 H GLN A 485 0.120 1.911 -12.376 1.00 0.00 H new ATOM 0 HA GLN A 485 2.549 3.103 -11.547 1.00 0.00 H new ATOM 0 HB2 GLN A 485 0.997 3.006 -14.165 1.00 0.00 H new ATOM 0 HB3 GLN A 485 2.524 3.857 -14.035 1.00 0.00 H new ATOM 0 HG2 GLN A 485 2.971 1.655 -14.929 1.00 0.00 H new ATOM 0 HG3 GLN A 485 3.627 1.721 -13.305 1.00 0.00 H new ATOM 0 HE21 GLN A 485 0.458 0.896 -14.867 1.00 0.00 H new ATOM 0 HE22 GLN A 485 0.172 -0.533 -13.869 1.00 0.00 H new ATOM 961 N ILE A 486 0.035 5.175 -12.067 1.00 0.00 N ATOM 962 CA ILE A 486 -0.442 6.549 -11.844 1.00 0.00 C ATOM 963 C ILE A 486 -0.251 6.945 -10.371 1.00 0.00 C ATOM 964 O ILE A 486 0.332 7.989 -10.093 1.00 0.00 O ATOM 965 CB ILE A 486 -1.914 6.718 -12.295 1.00 0.00 C ATOM 966 CG1 ILE A 486 -2.104 6.285 -13.770 1.00 0.00 C ATOM 967 CG2 ILE A 486 -2.361 8.182 -12.101 1.00 0.00 C ATOM 968 CD1 ILE A 486 -3.553 6.342 -14.274 1.00 0.00 C ATOM 0 H ILE A 486 -0.707 4.526 -12.331 1.00 0.00 H new ATOM 0 HA ILE A 486 0.155 7.224 -12.457 1.00 0.00 H new ATOM 0 HB ILE A 486 -2.536 6.071 -11.676 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -1.488 6.923 -14.404 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -1.733 5.267 -13.886 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -3.397 8.291 -12.421 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -2.276 8.452 -11.048 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -1.726 8.838 -12.697 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -3.589 6.022 -15.315 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -4.175 5.681 -13.670 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -3.926 7.363 -14.195 1.00 0.00 H new ATOM 980 N ALA A 487 -0.662 6.099 -9.422 1.00 0.00 N ATOM 981 CA ALA A 487 -0.482 6.357 -7.991 1.00 0.00 C ATOM 982 C ALA A 487 1.002 6.417 -7.563 1.00 0.00 C ATOM 983 O ALA A 487 1.390 7.260 -6.749 1.00 0.00 O ATOM 984 CB ALA A 487 -1.223 5.263 -7.223 1.00 0.00 C ATOM 0 H ALA A 487 -1.129 5.215 -9.625 1.00 0.00 H new ATOM 0 HA ALA A 487 -0.889 7.342 -7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -1.107 5.428 -6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -2.281 5.290 -7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -0.810 4.290 -7.487 1.00 0.00 H new ATOM 990 N VAL A 488 1.855 5.554 -8.132 1.00 0.00 N ATOM 991 CA VAL A 488 3.315 5.603 -7.923 1.00 0.00 C ATOM 992 C VAL A 488 3.917 6.904 -8.479 1.00 0.00 C ATOM 993 O VAL A 488 4.750 7.518 -7.808 1.00 0.00 O ATOM 994 CB VAL A 488 3.992 4.344 -8.506 1.00 0.00 C ATOM 995 CG1 VAL A 488 5.524 4.434 -8.543 1.00 0.00 C ATOM 996 CG2 VAL A 488 3.639 3.116 -7.652 1.00 0.00 C ATOM 0 H VAL A 488 1.555 4.801 -8.751 1.00 0.00 H new ATOM 0 HA VAL A 488 3.509 5.606 -6.850 1.00 0.00 H new ATOM 0 HB VAL A 488 3.621 4.260 -9.528 1.00 0.00 H new ATOM 0 HG11 VAL A 488 5.932 3.515 -8.964 1.00 0.00 H new ATOM 0 HG12 VAL A 488 5.824 5.281 -9.160 1.00 0.00 H new ATOM 0 HG13 VAL A 488 5.905 4.570 -7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 488 4.120 2.232 -8.070 1.00 0.00 H new ATOM 0 HG22 VAL A 488 3.988 3.271 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 488 2.558 2.973 -7.649 1.00 0.00 H new ATOM 1006 N ASN A 489 3.465 7.383 -9.647 1.00 0.00 N ATOM 1007 CA ASN A 489 3.857 8.693 -10.181 1.00 0.00 C ATOM 1008 C ASN A 489 3.446 9.846 -9.251 1.00 0.00 C ATOM 1009 O ASN A 489 4.273 10.691 -8.917 1.00 0.00 O ATOM 1010 CB ASN A 489 3.251 8.897 -11.584 1.00 0.00 C ATOM 1011 CG ASN A 489 3.538 10.289 -12.128 1.00 0.00 C ATOM 1012 OD1 ASN A 489 2.673 11.154 -12.171 1.00 0.00 O ATOM 1013 ND2 ASN A 489 4.759 10.570 -12.523 1.00 0.00 N ATOM 0 H ASN A 489 2.817 6.872 -10.247 1.00 0.00 H new ATOM 0 HA ASN A 489 4.945 8.705 -10.250 1.00 0.00 H new ATOM 0 HB2 ASN A 489 3.656 8.150 -12.267 1.00 0.00 H new ATOM 0 HB3 ASN A 489 2.173 8.739 -11.541 1.00 0.00 H new ATOM 0 HD21 ASN A 489 4.982 11.505 -12.863 1.00 0.00 H new ATOM 0 HD22 ASN A 489 5.484 9.853 -12.489 1.00 0.00 H new ATOM 1020 N THR A 490 2.188 9.888 -8.809 1.00 0.00 N ATOM 1021 CA THR A 490 1.656 11.005 -8.008 1.00 0.00 C ATOM 1022 C THR A 490 2.285 11.101 -6.612 1.00 0.00 C ATOM 1023 O THR A 490 2.430 12.201 -6.075 1.00 0.00 O ATOM 1024 CB THR A 490 0.121 10.954 -7.937 1.00 0.00 C ATOM 1025 OG1 THR A 490 -0.356 9.708 -7.486 1.00 0.00 O ATOM 1026 CG2 THR A 490 -0.475 11.213 -9.325 1.00 0.00 C ATOM 0 H THR A 490 1.506 9.152 -8.993 1.00 0.00 H new ATOM 0 HA THR A 490 1.942 11.920 -8.526 1.00 0.00 H new ATOM 0 HB THR A 490 -0.184 11.722 -7.226 1.00 0.00 H new ATOM 0 HG1 THR A 490 0.402 9.128 -7.264 1.00 0.00 H new ATOM 0 HG21 THR A 490 -1.563 11.175 -9.267 1.00 0.00 H new ATOM 0 HG22 THR A 490 -0.164 12.197 -9.677 1.00 0.00 H new ATOM 0 HG23 THR A 490 -0.122 10.451 -10.020 1.00 0.00 H new ATOM 1034 N SER A 491 2.759 9.981 -6.055 1.00 0.00 N ATOM 1035 CA SER A 491 3.544 9.941 -4.810 1.00 0.00 C ATOM 1036 C SER A 491 4.908 10.649 -4.899 1.00 0.00 C ATOM 1037 O SER A 491 5.451 11.056 -3.867 1.00 0.00 O ATOM 1038 CB SER A 491 3.728 8.488 -4.373 1.00 0.00 C ATOM 1039 OG SER A 491 4.219 8.397 -3.043 1.00 0.00 O ATOM 0 H SER A 491 2.606 9.058 -6.462 1.00 0.00 H new ATOM 0 HA SER A 491 2.974 10.499 -4.067 1.00 0.00 H new ATOM 0 HB2 SER A 491 2.776 7.963 -4.446 1.00 0.00 H new ATOM 0 HB3 SER A 491 4.420 7.989 -5.051 1.00 0.00 H new ATOM 0 HG SER A 491 5.078 7.926 -3.043 1.00 0.00 H new ATOM 1045 N LYS A 492 5.454 10.875 -6.106 1.00 0.00 N ATOM 1046 CA LYS A 492 6.673 11.680 -6.337 1.00 0.00 C ATOM 1047 C LYS A 492 6.529 13.143 -5.876 1.00 0.00 C ATOM 1048 O LYS A 492 7.531 13.817 -5.633 1.00 0.00 O ATOM 1049 CB LYS A 492 7.042 11.585 -7.830 1.00 0.00 C ATOM 1050 CG LYS A 492 8.453 12.095 -8.156 1.00 0.00 C ATOM 1051 CD LYS A 492 8.793 11.849 -9.632 1.00 0.00 C ATOM 1052 CE LYS A 492 10.200 12.372 -9.941 1.00 0.00 C ATOM 1053 NZ LYS A 492 10.571 12.136 -11.360 1.00 0.00 N ATOM 0 H LYS A 492 5.056 10.498 -6.966 1.00 0.00 H new ATOM 0 HA LYS A 492 7.479 11.272 -5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 492 6.959 10.546 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 492 6.317 12.156 -8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 492 8.520 13.160 -7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 492 9.182 11.592 -7.521 1.00 0.00 H new ATOM 0 HD2 LYS A 492 8.735 10.783 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 492 8.063 12.347 -10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 492 10.248 13.439 -9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 492 10.923 11.882 -9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 11.529 12.502 -11.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 10.549 11.116 -11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 9.895 12.625 -11.981 1.00 0.00 H new ATOM 1067 N TYR A 493 5.290 13.613 -5.705 1.00 0.00 N ATOM 1068 CA TYR A 493 4.934 14.997 -5.366 1.00 0.00 C ATOM 1069 C TYR A 493 4.216 15.113 -4.001 1.00 0.00 C ATOM 1070 O TYR A 493 3.715 16.185 -3.648 1.00 0.00 O ATOM 1071 CB TYR A 493 4.082 15.582 -6.511 1.00 0.00 C ATOM 1072 CG TYR A 493 4.504 15.162 -7.914 1.00 0.00 C ATOM 1073 CD1 TYR A 493 5.773 15.513 -8.417 1.00 0.00 C ATOM 1074 CD2 TYR A 493 3.638 14.372 -8.696 1.00 0.00 C ATOM 1075 CE1 TYR A 493 6.180 15.064 -9.689 1.00 0.00 C ATOM 1076 CE2 TYR A 493 4.041 13.920 -9.967 1.00 0.00 C ATOM 1077 CZ TYR A 493 5.316 14.260 -10.467 1.00 0.00 C ATOM 1078 OH TYR A 493 5.702 13.812 -11.695 1.00 0.00 O ATOM 0 H TYR A 493 4.470 13.014 -5.803 1.00 0.00 H new ATOM 0 HA TYR A 493 5.852 15.575 -5.259 1.00 0.00 H new ATOM 0 HB2 TYR A 493 3.044 15.287 -6.357 1.00 0.00 H new ATOM 0 HB3 TYR A 493 4.116 16.670 -6.449 1.00 0.00 H new ATOM 0 HD1 TYR A 493 6.435 16.128 -7.826 1.00 0.00 H new ATOM 0 HD2 TYR A 493 2.660 14.112 -8.318 1.00 0.00 H new ATOM 0 HE1 TYR A 493 7.154 15.335 -10.070 1.00 0.00 H new ATOM 0 HE2 TYR A 493 3.374 13.312 -10.560 1.00 0.00 H new ATOM 0 HH TYR A 493 6.675 13.699 -11.711 1.00 0.00 H new ATOM 1088 N ALA A 494 4.145 14.016 -3.235 1.00 0.00 N ATOM 1089 CA ALA A 494 3.516 13.946 -1.915 1.00 0.00 C ATOM 1090 C ALA A 494 4.231 14.804 -0.849 1.00 0.00 C ATOM 1091 O ALA A 494 5.433 15.074 -0.938 1.00 0.00 O ATOM 1092 CB ALA A 494 3.490 12.474 -1.483 1.00 0.00 C ATOM 0 H ALA A 494 4.539 13.123 -3.531 1.00 0.00 H new ATOM 0 HA ALA A 494 2.509 14.355 -1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 494 3.026 12.391 -0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 494 2.917 11.893 -2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 494 4.509 12.091 -1.436 1.00 0.00 H new ATOM 1098 N GLU A 495 3.492 15.174 0.203 1.00 0.00 N ATOM 1099 CA GLU A 495 3.993 15.960 1.351 1.00 0.00 C ATOM 1100 C GLU A 495 3.563 15.407 2.729 1.00 0.00 C ATOM 1101 O GLU A 495 4.128 15.807 3.751 1.00 0.00 O ATOM 1102 CB GLU A 495 3.545 17.429 1.219 1.00 0.00 C ATOM 1103 CG GLU A 495 4.130 18.139 -0.010 1.00 0.00 C ATOM 1104 CD GLU A 495 3.770 19.637 -0.003 1.00 0.00 C ATOM 1105 OE1 GLU A 495 2.673 20.011 -0.489 1.00 0.00 O ATOM 1106 OE2 GLU A 495 4.585 20.462 0.484 1.00 0.00 O ATOM 0 H GLU A 495 2.505 14.933 0.288 1.00 0.00 H new ATOM 0 HA GLU A 495 5.080 15.884 1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 495 2.457 17.465 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 495 3.839 17.972 2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 495 5.214 18.021 -0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 495 3.749 17.674 -0.919 1.00 0.00 H new ATOM 1113 N SER A 496 2.608 14.465 2.771 1.00 0.00 N ATOM 1114 CA SER A 496 1.997 13.928 4.007 1.00 0.00 C ATOM 1115 C SER A 496 1.771 12.403 3.976 1.00 0.00 C ATOM 1116 O SER A 496 1.137 11.853 4.879 1.00 0.00 O ATOM 1117 CB SER A 496 0.657 14.636 4.280 1.00 0.00 C ATOM 1118 OG SER A 496 0.812 16.046 4.370 1.00 0.00 O ATOM 0 H SER A 496 2.226 14.041 1.926 1.00 0.00 H new ATOM 0 HA SER A 496 2.710 14.124 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 496 -0.048 14.398 3.484 1.00 0.00 H new ATOM 0 HB3 SER A 496 0.229 14.258 5.208 1.00 0.00 H new ATOM 0 HG SER A 496 -0.059 16.461 4.542 1.00 0.00 H new ATOM 1124 N TYR A 497 2.259 11.713 2.941 1.00 0.00 N ATOM 1125 CA TYR A 497 2.086 10.273 2.703 1.00 0.00 C ATOM 1126 C TYR A 497 3.178 9.725 1.757 1.00 0.00 C ATOM 1127 O TYR A 497 3.995 10.484 1.223 1.00 0.00 O ATOM 1128 CB TYR A 497 0.681 10.015 2.119 1.00 0.00 C ATOM 1129 CG TYR A 497 0.452 10.614 0.741 1.00 0.00 C ATOM 1130 CD1 TYR A 497 0.016 11.948 0.610 1.00 0.00 C ATOM 1131 CD2 TYR A 497 0.714 9.845 -0.410 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -0.131 12.520 -0.669 1.00 0.00 C ATOM 1133 CE2 TYR A 497 0.578 10.417 -1.690 1.00 0.00 C ATOM 1134 CZ TYR A 497 0.156 11.759 -1.822 1.00 0.00 C ATOM 1135 OH TYR A 497 0.027 12.328 -3.052 1.00 0.00 O ATOM 0 H TYR A 497 2.812 12.162 2.211 1.00 0.00 H new ATOM 0 HA TYR A 497 2.185 9.748 3.653 1.00 0.00 H new ATOM 0 HB2 TYR A 497 0.515 8.939 2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -0.064 10.419 2.805 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -0.206 12.532 1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 497 1.020 8.814 -0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -0.464 13.543 -0.767 1.00 0.00 H new ATOM 0 HE2 TYR A 497 0.796 9.830 -2.570 1.00 0.00 H new ATOM 0 HH TYR A 497 0.263 11.673 -3.742 1.00 0.00 H new ATOM 1145 N ARG A 498 3.176 8.407 1.529 1.00 0.00 N ATOM 1146 CA ARG A 498 4.047 7.676 0.589 1.00 0.00 C ATOM 1147 C ARG A 498 3.298 6.472 0.004 1.00 0.00 C ATOM 1148 O ARG A 498 2.523 5.842 0.722 1.00 0.00 O ATOM 1149 CB ARG A 498 5.289 7.210 1.369 1.00 0.00 C ATOM 1150 CG ARG A 498 6.412 6.629 0.489 1.00 0.00 C ATOM 1151 CD ARG A 498 7.486 5.947 1.347 1.00 0.00 C ATOM 1152 NE ARG A 498 6.975 4.690 1.936 1.00 0.00 N ATOM 1153 CZ ARG A 498 7.161 3.458 1.501 1.00 0.00 C ATOM 1154 NH1 ARG A 498 7.950 3.169 0.503 1.00 0.00 N ATOM 1155 NH2 ARG A 498 6.524 2.486 2.078 1.00 0.00 N ATOM 0 H ARG A 498 2.534 7.784 2.019 1.00 0.00 H new ATOM 0 HA ARG A 498 4.342 8.320 -0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 498 5.686 8.054 1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 498 4.985 6.455 2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 498 5.992 5.910 -0.214 1.00 0.00 H new ATOM 0 HG3 ARG A 498 6.865 7.425 -0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 498 8.364 5.736 0.737 1.00 0.00 H new ATOM 0 HD3 ARG A 498 7.804 6.622 2.141 1.00 0.00 H new ATOM 0 HE ARG A 498 6.411 4.787 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 498 8.457 3.912 0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 498 8.060 2.200 0.204 1.00 0.00 H new ATOM 0 HH21 ARG A 498 5.892 2.680 2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 498 6.655 1.527 1.755 1.00 0.00 H new ATOM 1169 N ILE A 499 3.558 6.123 -1.257 1.00 0.00 N ATOM 1170 CA ILE A 499 2.963 4.979 -1.975 1.00 0.00 C ATOM 1171 C ILE A 499 4.076 4.157 -2.651 1.00 0.00 C ATOM 1172 O ILE A 499 5.029 4.715 -3.201 1.00 0.00 O ATOM 1173 CB ILE A 499 1.929 5.466 -3.026 1.00 0.00 C ATOM 1174 CG1 ILE A 499 0.819 6.339 -2.395 1.00 0.00 C ATOM 1175 CG2 ILE A 499 1.306 4.283 -3.786 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -0.106 7.033 -3.402 1.00 0.00 C ATOM 0 H ILE A 499 4.215 6.647 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 499 2.439 4.347 -1.258 1.00 0.00 H new ATOM 0 HB ILE A 499 2.477 6.088 -3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 499 0.214 5.714 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 499 1.286 7.099 -1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 499 0.586 4.657 -4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 499 2.090 3.729 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 499 0.799 3.624 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -0.851 7.621 -2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 499 0.482 7.689 -4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -0.607 6.282 -4.013 1.00 0.00 H new ATOM 1188 N GLN A 500 3.931 2.831 -2.649 1.00 0.00 N ATOM 1189 CA GLN A 500 4.766 1.873 -3.388 1.00 0.00 C ATOM 1190 C GLN A 500 3.927 0.676 -3.880 1.00 0.00 C ATOM 1191 O GLN A 500 2.795 0.483 -3.434 1.00 0.00 O ATOM 1192 CB GLN A 500 5.952 1.436 -2.503 1.00 0.00 C ATOM 1193 CG GLN A 500 5.558 0.573 -1.288 1.00 0.00 C ATOM 1194 CD GLN A 500 6.736 0.213 -0.386 1.00 0.00 C ATOM 1195 OE1 GLN A 500 7.901 0.464 -0.665 1.00 0.00 O ATOM 1196 NE2 GLN A 500 6.494 -0.322 0.789 1.00 0.00 N ATOM 0 H GLN A 500 3.197 2.372 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 500 5.170 2.353 -4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 500 6.660 0.877 -3.116 1.00 0.00 H new ATOM 0 HB3 GLN A 500 6.471 2.326 -2.148 1.00 0.00 H new ATOM 0 HG2 GLN A 500 4.811 1.107 -0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 500 5.088 -0.345 -1.642 1.00 0.00 H new ATOM 0 HE21 GLN A 500 5.537 -0.546 1.060 1.00 0.00 H new ATOM 0 HE22 GLN A 500 7.264 -0.513 1.431 1.00 0.00 H new ATOM 1205 N THR A 501 4.452 -0.148 -4.790 1.00 0.00 N ATOM 1206 CA THR A 501 3.777 -1.388 -5.230 1.00 0.00 C ATOM 1207 C THR A 501 3.793 -2.477 -4.149 1.00 0.00 C ATOM 1208 O THR A 501 4.601 -2.443 -3.216 1.00 0.00 O ATOM 1209 CB THR A 501 4.391 -1.944 -6.527 1.00 0.00 C ATOM 1210 OG1 THR A 501 5.717 -2.361 -6.305 1.00 0.00 O ATOM 1211 CG2 THR A 501 4.403 -0.913 -7.656 1.00 0.00 C ATOM 0 H THR A 501 5.350 0.017 -5.244 1.00 0.00 H new ATOM 0 HA THR A 501 2.740 -1.110 -5.421 1.00 0.00 H new ATOM 0 HB THR A 501 3.765 -2.785 -6.825 1.00 0.00 H new ATOM 0 HG1 THR A 501 6.093 -2.714 -7.139 1.00 0.00 H new ATOM 0 HG21 THR A 501 4.846 -1.356 -8.548 1.00 0.00 H new ATOM 0 HG22 THR A 501 3.382 -0.601 -7.875 1.00 0.00 H new ATOM 0 HG23 THR A 501 4.990 -0.046 -7.351 1.00 0.00 H new ATOM 1219 N TYR A 502 2.936 -3.496 -4.287 1.00 0.00 N ATOM 1220 CA TYR A 502 3.001 -4.698 -3.444 1.00 0.00 C ATOM 1221 C TYR A 502 4.366 -5.413 -3.557 1.00 0.00 C ATOM 1222 O TYR A 502 4.910 -5.883 -2.558 1.00 0.00 O ATOM 1223 CB TYR A 502 1.842 -5.635 -3.812 1.00 0.00 C ATOM 1224 CG TYR A 502 1.590 -6.741 -2.802 1.00 0.00 C ATOM 1225 CD1 TYR A 502 2.352 -7.926 -2.834 1.00 0.00 C ATOM 1226 CD2 TYR A 502 0.588 -6.580 -1.825 1.00 0.00 C ATOM 1227 CE1 TYR A 502 2.118 -8.942 -1.886 1.00 0.00 C ATOM 1228 CE2 TYR A 502 0.343 -7.599 -0.883 1.00 0.00 C ATOM 1229 CZ TYR A 502 1.111 -8.783 -0.908 1.00 0.00 C ATOM 1230 OH TYR A 502 0.885 -9.774 -0.002 1.00 0.00 O ATOM 0 H TYR A 502 2.186 -3.512 -4.978 1.00 0.00 H new ATOM 0 HA TYR A 502 2.902 -4.398 -2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 502 0.933 -5.044 -3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 502 2.048 -6.085 -4.783 1.00 0.00 H new ATOM 0 HD1 TYR A 502 3.116 -8.056 -3.586 1.00 0.00 H new ATOM 0 HD2 TYR A 502 0.005 -5.671 -1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 502 2.710 -9.845 -1.907 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -0.433 -7.474 -0.142 1.00 0.00 H new ATOM 0 HH TYR A 502 0.160 -9.507 0.601 1.00 0.00 H new ATOM 1240 N ALA A 503 4.966 -5.440 -4.755 1.00 0.00 N ATOM 1241 CA ALA A 503 6.309 -5.984 -4.980 1.00 0.00 C ATOM 1242 C ALA A 503 7.409 -5.183 -4.251 1.00 0.00 C ATOM 1243 O ALA A 503 8.311 -5.770 -3.651 1.00 0.00 O ATOM 1244 CB ALA A 503 6.563 -6.038 -6.491 1.00 0.00 C ATOM 0 H ALA A 503 4.527 -5.081 -5.603 1.00 0.00 H new ATOM 0 HA ALA A 503 6.353 -6.988 -4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 503 7.558 -6.441 -6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 503 5.818 -6.679 -6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 503 6.494 -5.033 -6.908 1.00 0.00 H new ATOM 1250 N GLU A 504 7.321 -3.848 -4.242 1.00 0.00 N ATOM 1251 CA GLU A 504 8.220 -2.980 -3.469 1.00 0.00 C ATOM 1252 C GLU A 504 8.069 -3.161 -1.948 1.00 0.00 C ATOM 1253 O GLU A 504 9.067 -3.053 -1.233 1.00 0.00 O ATOM 1254 CB GLU A 504 7.990 -1.507 -3.846 1.00 0.00 C ATOM 1255 CG GLU A 504 8.733 -1.076 -5.119 1.00 0.00 C ATOM 1256 CD GLU A 504 10.264 -1.073 -4.930 1.00 0.00 C ATOM 1257 OE1 GLU A 504 10.758 -0.465 -3.946 1.00 0.00 O ATOM 1258 OE2 GLU A 504 10.986 -1.682 -5.757 1.00 0.00 O ATOM 0 H GLU A 504 6.619 -3.335 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 504 9.237 -3.275 -3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 504 6.922 -1.338 -3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 504 8.308 -0.874 -3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 504 8.471 -1.749 -5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 504 8.403 -0.079 -5.410 1.00 0.00 H new ATOM 1265 N TYR A 505 6.868 -3.468 -1.445 1.00 0.00 N ATOM 1266 CA TYR A 505 6.671 -3.876 -0.048 1.00 0.00 C ATOM 1267 C TYR A 505 7.335 -5.234 0.240 1.00 0.00 C ATOM 1268 O TYR A 505 8.139 -5.338 1.169 1.00 0.00 O ATOM 1269 CB TYR A 505 5.173 -3.900 0.294 1.00 0.00 C ATOM 1270 CG TYR A 505 4.875 -4.479 1.666 1.00 0.00 C ATOM 1271 CD1 TYR A 505 4.945 -3.659 2.809 1.00 0.00 C ATOM 1272 CD2 TYR A 505 4.575 -5.849 1.802 1.00 0.00 C ATOM 1273 CE1 TYR A 505 4.712 -4.205 4.086 1.00 0.00 C ATOM 1274 CE2 TYR A 505 4.354 -6.402 3.079 1.00 0.00 C ATOM 1275 CZ TYR A 505 4.417 -5.579 4.225 1.00 0.00 C ATOM 1276 OH TYR A 505 4.202 -6.104 5.464 1.00 0.00 O ATOM 0 H TYR A 505 6.008 -3.441 -1.992 1.00 0.00 H new ATOM 0 HA TYR A 505 7.156 -3.141 0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 505 4.780 -2.884 0.244 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.645 -4.483 -0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 505 5.178 -2.609 2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.514 -6.477 0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 505 4.759 -3.572 4.960 1.00 0.00 H new ATOM 0 HE2 TYR A 505 4.136 -7.455 3.181 1.00 0.00 H new ATOM 0 HH TYR A 505 4.010 -7.062 5.385 1.00 0.00 H new