USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 555 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 39 GLN : amide:sc= 0.211 K(o=-1.1,f=-7.6) USER MOD Set 1.2: A 82 GLN : amide:sc= -1.26! C(o=-1.1!,f=-7.4!) USER MOD Set 2.1: A 49 SER OG : rot 31:sc= 0.248 USER MOD Set 2.2: A 51 HIS : no HD1:sc= -0.016 X(o=0.23,f=0.25) USER MOD Single : A 19 SER OG : rot -0:sc= 0.271 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 1.29 K(o=1.3,f=-3!) USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= 1.21 (180deg=0.361) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -33:sc= 0.862 USER MOD Single : A 44 SER OG : rot 180:sc= -0.166 USER MOD Single : A 46 GLN : amide:sc= 0.532 K(o=0.53,f=-5.5!) USER MOD Single : A 47 ASN : amide:sc= -0.344 K(o=-0.34,f=-2.8!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 56 THR OG1 : rot -73:sc= 1.67 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -177:sc= 1.2 USER MOD Single : A 85 ASN : amide:sc= -0.0496 X(o=-0.05,f=0) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -6.848 -11.843 -1.075 1.00 23.32 N ATOM 290 CA LEU A 18 -6.196 -10.995 -0.062 1.00 32.02 C ATOM 291 C LEU A 18 -5.305 -11.819 0.878 1.00 74.41 C ATOM 292 O LEU A 18 -5.582 -12.989 1.151 1.00 4.24 O ATOM 293 CB LEU A 18 -7.251 -10.235 0.758 1.00 23.52 C ATOM 294 CG LEU A 18 -8.020 -9.148 -0.006 1.00 14.21 C ATOM 295 CD1 LEU A 18 -9.102 -8.526 0.871 1.00 11.10 C ATOM 296 CD2 LEU A 18 -7.058 -8.080 -0.525 1.00 23.32 C ATOM 0 HA LEU A 18 -5.563 -10.282 -0.591 1.00 32.02 H new ATOM 0 HB2 LEU A 18 -7.968 -10.955 1.152 1.00 23.52 H new ATOM 0 HB3 LEU A 18 -6.759 -9.774 1.614 1.00 23.52 H new ATOM 0 HG LEU A 18 -8.511 -9.613 -0.861 1.00 14.21 H new ATOM 0 HD11 LEU A 18 -9.632 -7.759 0.306 1.00 11.10 H new ATOM 0 HD12 LEU A 18 -9.805 -9.298 1.183 1.00 11.10 H new ATOM 0 HD13 LEU A 18 -8.643 -8.076 1.751 1.00 11.10 H new ATOM 0 HD21 LEU A 18 -7.619 -7.317 -1.064 1.00 23.32 H new ATOM 0 HD22 LEU A 18 -6.536 -7.621 0.315 1.00 23.32 H new ATOM 0 HD23 LEU A 18 -6.332 -8.539 -1.196 1.00 23.32 H new ATOM 308 N SER A 19 -4.228 -11.198 1.362 1.00 65.31 N ATOM 309 CA SER A 19 -3.309 -11.838 2.319 1.00 54.12 C ATOM 310 C SER A 19 -2.602 -10.782 3.185 1.00 4.41 C ATOM 311 O SER A 19 -2.616 -9.595 2.865 1.00 74.34 O ATOM 312 CB SER A 19 -2.253 -12.682 1.580 1.00 73.40 C ATOM 313 OG SER A 19 -2.842 -13.747 0.844 1.00 4.44 O ATOM 0 H SER A 19 -3.965 -10.246 1.108 1.00 65.31 H new ATOM 0 HA SER A 19 -3.901 -12.489 2.962 1.00 54.12 H new ATOM 0 HB2 SER A 19 -1.687 -12.043 0.902 1.00 73.40 H new ATOM 0 HB3 SER A 19 -1.544 -13.088 2.301 1.00 73.40 H new ATOM 0 HG SER A 19 -3.814 -13.729 0.964 1.00 4.44 H new ATOM 319 N LEU A 20 -1.989 -11.215 4.282 1.00 21.11 N ATOM 320 CA LEU A 20 -1.212 -10.307 5.140 1.00 53.04 C ATOM 321 C LEU A 20 0.074 -9.857 4.413 1.00 42.44 C ATOM 322 O LEU A 20 0.824 -10.687 3.896 1.00 23.32 O ATOM 323 CB LEU A 20 -0.870 -11.018 6.466 1.00 31.30 C ATOM 324 CG LEU A 20 -0.542 -10.117 7.681 1.00 52.51 C ATOM 325 CD1 LEU A 20 0.753 -9.334 7.481 1.00 1.32 C ATOM 326 CD2 LEU A 20 -1.704 -9.171 7.985 1.00 42.33 C ATOM 0 H LEU A 20 -2.011 -12.183 4.603 1.00 21.11 H new ATOM 0 HA LEU A 20 -1.806 -9.420 5.360 1.00 53.04 H new ATOM 0 HB2 LEU A 20 -1.711 -11.657 6.735 1.00 31.30 H new ATOM 0 HB3 LEU A 20 -0.017 -11.673 6.289 1.00 31.30 H new ATOM 0 HG LEU A 20 -0.394 -10.774 8.538 1.00 52.51 H new ATOM 0 HD11 LEU A 20 0.943 -8.716 8.358 1.00 1.32 H new ATOM 0 HD12 LEU A 20 1.581 -10.029 7.341 1.00 1.32 H new ATOM 0 HD13 LEU A 20 0.661 -8.697 6.601 1.00 1.32 H new ATOM 0 HD21 LEU A 20 -1.451 -8.548 8.843 1.00 42.33 H new ATOM 0 HD22 LEU A 20 -1.893 -8.537 7.119 1.00 42.33 H new ATOM 0 HD23 LEU A 20 -2.598 -9.753 8.211 1.00 42.33 H new ATOM 338 N LEU A 21 0.329 -8.546 4.374 1.00 72.41 N ATOM 339 CA LEU A 21 1.500 -8.008 3.664 1.00 43.22 C ATOM 340 C LEU A 21 2.815 -8.374 4.369 1.00 1.32 C ATOM 341 O LEU A 21 3.022 -8.050 5.543 1.00 70.31 O ATOM 342 CB LEU A 21 1.395 -6.482 3.510 1.00 74.34 C ATOM 343 CG LEU A 21 2.592 -5.799 2.811 1.00 63.04 C ATOM 344 CD1 LEU A 21 2.810 -6.371 1.413 1.00 41.15 C ATOM 345 CD2 LEU A 21 2.386 -4.288 2.751 1.00 73.53 C ATOM 0 H LEU A 21 -0.254 -7.839 4.822 1.00 72.41 H new ATOM 0 HA LEU A 21 1.510 -8.465 2.675 1.00 43.22 H new ATOM 0 HB2 LEU A 21 0.490 -6.253 2.948 1.00 74.34 H new ATOM 0 HB3 LEU A 21 1.276 -6.042 4.500 1.00 74.34 H new ATOM 0 HG LEU A 21 3.488 -6.001 3.398 1.00 63.04 H new ATOM 0 HD11 LEU A 21 3.658 -5.872 0.944 1.00 41.15 H new ATOM 0 HD12 LEU A 21 3.011 -7.440 1.485 1.00 41.15 H new ATOM 0 HD13 LEU A 21 1.916 -6.210 0.810 1.00 41.15 H new ATOM 0 HD21 LEU A 21 3.239 -3.824 2.256 1.00 73.53 H new ATOM 0 HD22 LEU A 21 1.477 -4.067 2.192 1.00 73.53 H new ATOM 0 HD23 LEU A 21 2.295 -3.893 3.763 1.00 73.53 H new ATOM 357 N GLU A 22 3.699 -9.043 3.637 1.00 25.52 N ATOM 358 CA GLU A 22 5.005 -9.452 4.161 1.00 44.41 C ATOM 359 C GLU A 22 5.923 -8.241 4.416 1.00 43.10 C ATOM 360 O GLU A 22 5.974 -7.304 3.615 1.00 73.02 O ATOM 361 CB GLU A 22 5.668 -10.433 3.179 1.00 14.53 C ATOM 362 CG GLU A 22 5.853 -9.868 1.771 1.00 75.10 C ATOM 363 CD GLU A 22 6.288 -10.921 0.762 1.00 3.12 C ATOM 364 OE1 GLU A 22 7.477 -11.293 0.755 1.00 2.02 O ATOM 365 OE2 GLU A 22 5.435 -11.388 -0.025 1.00 71.14 O ATOM 0 H GLU A 22 3.536 -9.318 2.668 1.00 25.52 H new ATOM 0 HA GLU A 22 4.848 -9.946 5.120 1.00 44.41 H new ATOM 0 HB2 GLU A 22 6.641 -10.725 3.574 1.00 14.53 H new ATOM 0 HB3 GLU A 22 5.063 -11.338 3.120 1.00 14.53 H new ATOM 0 HG2 GLU A 22 4.917 -9.419 1.439 1.00 75.10 H new ATOM 0 HG3 GLU A 22 6.596 -9.071 1.800 1.00 75.10 H new ATOM 372 N SER A 23 6.651 -8.274 5.535 1.00 12.04 N ATOM 373 CA SER A 23 7.572 -7.184 5.918 1.00 64.45 C ATOM 374 C SER A 23 8.551 -6.831 4.787 1.00 4.24 C ATOM 375 O SER A 23 8.916 -5.667 4.614 1.00 54.34 O ATOM 376 CB SER A 23 8.362 -7.572 7.175 1.00 61.22 C ATOM 377 OG SER A 23 9.103 -8.766 6.966 1.00 65.12 O ATOM 0 H SER A 23 6.625 -9.047 6.200 1.00 12.04 H new ATOM 0 HA SER A 23 6.961 -6.304 6.121 1.00 64.45 H new ATOM 0 HB2 SER A 23 9.040 -6.763 7.446 1.00 61.22 H new ATOM 0 HB3 SER A 23 7.676 -7.708 8.012 1.00 61.22 H new ATOM 0 HG SER A 23 9.599 -8.990 7.781 1.00 65.12 H new ATOM 383 N LYS A 24 8.963 -7.840 4.022 1.00 52.52 N ATOM 384 CA LYS A 24 9.853 -7.647 2.868 1.00 60.12 C ATOM 385 C LYS A 24 9.289 -6.592 1.896 1.00 75.44 C ATOM 386 O LYS A 24 9.973 -5.637 1.527 1.00 35.04 O ATOM 387 CB LYS A 24 10.047 -8.986 2.138 1.00 51.21 C ATOM 388 CG LYS A 24 11.041 -8.938 0.978 1.00 63.21 C ATOM 389 CD LYS A 24 12.447 -8.564 1.445 1.00 54.35 C ATOM 390 CE LYS A 24 13.008 -9.575 2.443 1.00 23.34 C ATOM 391 NZ LYS A 24 14.346 -9.171 2.948 1.00 12.32 N ATOM 0 H LYS A 24 8.694 -8.811 4.179 1.00 52.52 H new ATOM 0 HA LYS A 24 10.814 -7.285 3.233 1.00 60.12 H new ATOM 0 HB2 LYS A 24 10.384 -9.732 2.858 1.00 51.21 H new ATOM 0 HB3 LYS A 24 9.082 -9.322 1.759 1.00 51.21 H new ATOM 0 HG2 LYS A 24 11.069 -9.909 0.484 1.00 63.21 H new ATOM 0 HG3 LYS A 24 10.700 -8.214 0.238 1.00 63.21 H new ATOM 0 HD2 LYS A 24 13.110 -8.500 0.582 1.00 54.35 H new ATOM 0 HD3 LYS A 24 12.425 -7.576 1.904 1.00 54.35 H new ATOM 0 HE2 LYS A 24 12.319 -9.678 3.282 1.00 23.34 H new ATOM 0 HE3 LYS A 24 13.080 -10.553 1.967 1.00 23.34 H new ATOM 0 HZ1 LYS A 24 14.692 -9.883 3.622 1.00 12.32 H new ATOM 0 HZ2 LYS A 24 15.010 -9.097 2.151 1.00 12.32 H new ATOM 0 HZ3 LYS A 24 14.273 -8.249 3.424 1.00 12.32 H new ATOM 405 N GLY A 25 8.032 -6.772 1.486 1.00 71.34 N ATOM 406 CA GLY A 25 7.381 -5.813 0.594 1.00 51.03 C ATOM 407 C GLY A 25 6.953 -4.526 1.300 1.00 30.11 C ATOM 408 O GLY A 25 6.880 -3.462 0.686 1.00 35.50 O ATOM 0 H GLY A 25 7.450 -7.565 1.755 1.00 71.34 H new ATOM 0 HA2 GLY A 25 8.062 -5.564 -0.220 1.00 51.03 H new ATOM 0 HA3 GLY A 25 6.505 -6.281 0.145 1.00 51.03 H new ATOM 412 N LEU A 26 6.685 -4.630 2.603 1.00 45.35 N ATOM 413 CA LEU A 26 6.178 -3.506 3.406 1.00 20.31 C ATOM 414 C LEU A 26 7.062 -2.247 3.285 1.00 50.01 C ATOM 415 O LEU A 26 6.550 -1.127 3.170 1.00 53.43 O ATOM 416 CB LEU A 26 6.072 -3.932 4.879 1.00 23.11 C ATOM 417 CG LEU A 26 5.541 -2.861 5.849 1.00 42.15 C ATOM 418 CD1 LEU A 26 4.110 -2.457 5.496 1.00 75.31 C ATOM 419 CD2 LEU A 26 5.621 -3.358 7.290 1.00 73.43 C ATOM 0 H LEU A 26 6.812 -5.492 3.134 1.00 45.35 H new ATOM 0 HA LEU A 26 5.193 -3.245 3.018 1.00 20.31 H new ATOM 0 HB2 LEU A 26 5.422 -4.805 4.939 1.00 23.11 H new ATOM 0 HB3 LEU A 26 7.059 -4.246 5.219 1.00 23.11 H new ATOM 0 HG LEU A 26 6.171 -1.977 5.752 1.00 42.15 H new ATOM 0 HD11 LEU A 26 3.762 -1.699 6.198 1.00 75.31 H new ATOM 0 HD12 LEU A 26 4.085 -2.052 4.484 1.00 75.31 H new ATOM 0 HD13 LEU A 26 3.461 -3.331 5.553 1.00 75.31 H new ATOM 0 HD21 LEU A 26 5.242 -2.588 7.962 1.00 73.43 H new ATOM 0 HD22 LEU A 26 5.021 -4.261 7.397 1.00 73.43 H new ATOM 0 HD23 LEU A 26 6.658 -3.580 7.541 1.00 73.43 H new ATOM 431 N GLU A 27 8.382 -2.426 3.310 1.00 50.32 N ATOM 432 CA GLU A 27 9.307 -1.287 3.190 1.00 10.03 C ATOM 433 C GLU A 27 9.123 -0.552 1.850 1.00 31.33 C ATOM 434 O GLU A 27 9.259 0.669 1.782 1.00 51.33 O ATOM 435 CB GLU A 27 10.772 -1.732 3.334 1.00 35.41 C ATOM 436 CG GLU A 27 11.273 -2.611 2.191 1.00 71.42 C ATOM 437 CD GLU A 27 12.784 -2.773 2.194 1.00 72.21 C ATOM 438 OE1 GLU A 27 13.289 -3.711 2.841 1.00 70.00 O ATOM 439 OE2 GLU A 27 13.478 -1.954 1.550 1.00 43.03 O ATOM 0 H GLU A 27 8.836 -3.334 3.411 1.00 50.32 H new ATOM 0 HA GLU A 27 9.067 -0.602 4.003 1.00 10.03 H new ATOM 0 HB2 GLU A 27 11.404 -0.847 3.401 1.00 35.41 H new ATOM 0 HB3 GLU A 27 10.885 -2.276 4.272 1.00 35.41 H new ATOM 0 HG2 GLU A 27 10.806 -3.593 2.262 1.00 71.42 H new ATOM 0 HG3 GLU A 27 10.960 -2.178 1.241 1.00 71.42 H new ATOM 446 N ALA A 28 8.808 -1.298 0.791 1.00 5.42 N ATOM 447 CA ALA A 28 8.596 -0.714 -0.537 1.00 2.23 C ATOM 448 C ALA A 28 7.453 0.311 -0.516 1.00 31.34 C ATOM 449 O ALA A 28 7.542 1.371 -1.139 1.00 31.11 O ATOM 450 CB ALA A 28 8.319 -1.808 -1.560 1.00 34.34 C ATOM 0 H ALA A 28 8.693 -2.311 0.826 1.00 5.42 H new ATOM 0 HA ALA A 28 9.507 -0.191 -0.826 1.00 2.23 H new ATOM 0 HB1 ALA A 28 8.164 -1.358 -2.541 1.00 34.34 H new ATOM 0 HB2 ALA A 28 9.169 -2.489 -1.604 1.00 34.34 H new ATOM 0 HB3 ALA A 28 7.426 -2.361 -1.269 1.00 34.34 H new ATOM 456 N LEU A 29 6.384 -0.013 0.212 1.00 45.05 N ATOM 457 CA LEU A 29 5.262 0.916 0.400 1.00 22.14 C ATOM 458 C LEU A 29 5.712 2.163 1.177 1.00 12.01 C ATOM 459 O LEU A 29 5.526 3.290 0.722 1.00 10.54 O ATOM 460 CB LEU A 29 4.100 0.231 1.150 1.00 14.42 C ATOM 461 CG LEU A 29 3.282 -0.806 0.351 1.00 71.02 C ATOM 462 CD1 LEU A 29 2.661 -0.172 -0.888 1.00 1.44 C ATOM 463 CD2 LEU A 29 4.134 -2.018 -0.027 1.00 63.23 C ATOM 0 H LEU A 29 6.269 -0.911 0.682 1.00 45.05 H new ATOM 0 HA LEU A 29 4.914 1.219 -0.588 1.00 22.14 H new ATOM 0 HB2 LEU A 29 4.507 -0.262 2.033 1.00 14.42 H new ATOM 0 HB3 LEU A 29 3.418 1.005 1.503 1.00 14.42 H new ATOM 0 HG LEU A 29 2.475 -1.156 0.995 1.00 71.02 H new ATOM 0 HD11 LEU A 29 2.090 -0.923 -1.434 1.00 1.44 H new ATOM 0 HD12 LEU A 29 1.999 0.640 -0.588 1.00 1.44 H new ATOM 0 HD13 LEU A 29 3.450 0.221 -1.530 1.00 1.44 H new ATOM 0 HD21 LEU A 29 3.527 -2.728 -0.589 1.00 63.23 H new ATOM 0 HD22 LEU A 29 4.975 -1.695 -0.640 1.00 63.23 H new ATOM 0 HD23 LEU A 29 4.508 -2.496 0.878 1.00 63.23 H new ATOM 475 N ASN A 30 6.331 1.946 2.340 1.00 22.15 N ATOM 476 CA ASN A 30 6.780 3.049 3.207 1.00 62.14 C ATOM 477 C ASN A 30 7.742 4.006 2.482 1.00 23.12 C ATOM 478 O ASN A 30 7.577 5.224 2.549 1.00 45.32 O ATOM 479 CB ASN A 30 7.441 2.492 4.476 1.00 21.34 C ATOM 480 CG ASN A 30 6.426 1.916 5.445 1.00 71.44 C ATOM 481 OD1 ASN A 30 5.950 2.600 6.344 1.00 4.05 O ATOM 482 ND2 ASN A 30 6.070 0.663 5.262 1.00 13.50 N ATOM 0 H ASN A 30 6.535 1.017 2.707 1.00 22.15 H new ATOM 0 HA ASN A 30 5.896 3.625 3.482 1.00 62.14 H new ATOM 0 HB2 ASN A 30 8.158 1.718 4.201 1.00 21.34 H new ATOM 0 HB3 ASN A 30 8.002 3.285 4.969 1.00 21.34 H new ATOM 0 HD21 ASN A 30 5.379 0.234 5.878 1.00 13.50 H new ATOM 0 HD22 ASN A 30 6.485 0.120 4.504 1.00 13.50 H new ATOM 489 N LYS A 31 8.737 3.457 1.787 1.00 31.22 N ATOM 490 CA LYS A 31 9.698 4.273 1.036 1.00 23.34 C ATOM 491 C LYS A 31 9.004 5.062 -0.085 1.00 52.21 C ATOM 492 O LYS A 31 9.286 6.242 -0.296 1.00 63.21 O ATOM 493 CB LYS A 31 10.815 3.389 0.461 1.00 53.13 C ATOM 494 CG LYS A 31 11.665 2.713 1.534 1.00 51.32 C ATOM 495 CD LYS A 31 12.810 1.898 0.941 1.00 33.21 C ATOM 496 CE LYS A 31 12.309 0.749 0.070 1.00 72.41 C ATOM 497 NZ LYS A 31 13.435 -0.052 -0.482 1.00 52.43 N ATOM 0 H LYS A 31 8.901 2.452 1.726 1.00 31.22 H new ATOM 0 HA LYS A 31 10.140 4.993 1.725 1.00 23.34 H new ATOM 0 HB2 LYS A 31 10.371 2.624 -0.176 1.00 53.13 H new ATOM 0 HB3 LYS A 31 11.460 3.997 -0.173 1.00 53.13 H new ATOM 0 HG2 LYS A 31 12.071 3.472 2.203 1.00 51.32 H new ATOM 0 HG3 LYS A 31 11.033 2.061 2.137 1.00 51.32 H new ATOM 0 HD2 LYS A 31 13.448 2.551 0.346 1.00 33.21 H new ATOM 0 HD3 LYS A 31 13.425 1.499 1.747 1.00 33.21 H new ATOM 0 HE2 LYS A 31 11.657 0.104 0.658 1.00 72.41 H new ATOM 0 HE3 LYS A 31 11.709 1.147 -0.749 1.00 72.41 H new ATOM 0 HZ1 LYS A 31 13.183 -0.397 -1.430 1.00 52.43 H new ATOM 0 HZ2 LYS A 31 14.286 0.542 -0.544 1.00 52.43 H new ATOM 0 HZ3 LYS A 31 13.624 -0.862 0.142 1.00 52.43 H new ATOM 511 N ALA A 32 8.082 4.408 -0.791 1.00 53.23 N ATOM 512 CA ALA A 32 7.298 5.076 -1.833 1.00 31.32 C ATOM 513 C ALA A 32 6.432 6.205 -1.242 1.00 34.52 C ATOM 514 O ALA A 32 6.214 7.240 -1.881 1.00 54.35 O ATOM 515 CB ALA A 32 6.435 4.063 -2.571 1.00 53.04 C ATOM 0 H ALA A 32 7.859 3.421 -0.662 1.00 53.23 H new ATOM 0 HA ALA A 32 7.990 5.529 -2.543 1.00 31.32 H new ATOM 0 HB1 ALA A 32 5.857 4.571 -3.343 1.00 53.04 H new ATOM 0 HB2 ALA A 32 7.073 3.309 -3.033 1.00 53.04 H new ATOM 0 HB3 ALA A 32 5.756 3.582 -1.867 1.00 53.04 H new ATOM 521 N ILE A 33 5.940 5.991 -0.022 1.00 24.24 N ATOM 522 CA ILE A 33 5.194 7.018 0.717 1.00 24.20 C ATOM 523 C ILE A 33 6.095 8.219 1.047 1.00 31.40 C ATOM 524 O ILE A 33 5.706 9.377 0.863 1.00 62.22 O ATOM 525 CB ILE A 33 4.596 6.441 2.029 1.00 24.24 C ATOM 526 CG1 ILE A 33 3.497 5.410 1.709 1.00 71.44 C ATOM 527 CG2 ILE A 33 4.049 7.554 2.924 1.00 4.15 C ATOM 528 CD1 ILE A 33 2.910 4.735 2.932 1.00 73.24 C ATOM 0 H ILE A 33 6.044 5.110 0.481 1.00 24.24 H new ATOM 0 HA ILE A 33 4.378 7.351 0.076 1.00 24.20 H new ATOM 0 HB ILE A 33 5.396 5.940 2.574 1.00 24.24 H new ATOM 0 HG12 ILE A 33 2.696 5.906 1.161 1.00 71.44 H new ATOM 0 HG13 ILE A 33 3.910 4.647 1.049 1.00 71.44 H new ATOM 0 HG21 ILE A 33 3.637 7.119 3.835 1.00 4.15 H new ATOM 0 HG22 ILE A 33 4.854 8.242 3.182 1.00 4.15 H new ATOM 0 HG23 ILE A 33 3.265 8.095 2.394 1.00 4.15 H new ATOM 0 HD11 ILE A 33 2.144 4.024 2.623 1.00 73.24 H new ATOM 0 HD12 ILE A 33 3.698 4.208 3.470 1.00 73.24 H new ATOM 0 HD13 ILE A 33 2.465 5.487 3.584 1.00 73.24 H new ATOM 540 N VAL A 34 7.306 7.934 1.520 1.00 72.04 N ATOM 541 CA VAL A 34 8.304 8.975 1.791 1.00 30.11 C ATOM 542 C VAL A 34 8.662 9.734 0.500 1.00 44.43 C ATOM 543 O VAL A 34 8.914 10.942 0.514 1.00 44.52 O ATOM 544 CB VAL A 34 9.591 8.366 2.410 1.00 74.32 C ATOM 545 CG1 VAL A 34 10.652 9.437 2.639 1.00 74.21 C ATOM 546 CG2 VAL A 34 9.271 7.640 3.715 1.00 24.23 C ATOM 0 H VAL A 34 7.624 6.987 1.726 1.00 72.04 H new ATOM 0 HA VAL A 34 7.867 9.672 2.506 1.00 30.11 H new ATOM 0 HB VAL A 34 9.992 7.642 1.701 1.00 74.32 H new ATOM 0 HG11 VAL A 34 11.542 8.981 3.073 1.00 74.21 H new ATOM 0 HG12 VAL A 34 10.910 9.903 1.688 1.00 74.21 H new ATOM 0 HG13 VAL A 34 10.263 10.194 3.320 1.00 74.21 H new ATOM 0 HG21 VAL A 34 10.187 7.221 4.132 1.00 24.23 H new ATOM 0 HG22 VAL A 34 8.837 8.343 4.426 1.00 24.23 H new ATOM 0 HG23 VAL A 34 8.560 6.837 3.520 1.00 24.23 H new ATOM 556 N SER A 35 8.680 9.009 -0.611 1.00 13.24 N ATOM 557 CA SER A 35 8.913 9.604 -1.934 1.00 32.24 C ATOM 558 C SER A 35 7.700 10.410 -2.414 1.00 53.02 C ATOM 559 O SER A 35 7.826 11.298 -3.258 1.00 13.23 O ATOM 560 CB SER A 35 9.224 8.510 -2.958 1.00 52.20 C ATOM 561 OG SER A 35 9.470 9.060 -4.245 1.00 64.02 O ATOM 0 H SER A 35 8.535 7.999 -0.628 1.00 13.24 H new ATOM 0 HA SER A 35 9.763 10.280 -1.841 1.00 32.24 H new ATOM 0 HB2 SER A 35 10.094 7.941 -2.632 1.00 52.20 H new ATOM 0 HB3 SER A 35 8.388 7.812 -3.012 1.00 52.20 H new ATOM 0 HG SER A 35 9.667 8.338 -4.877 1.00 64.02 H new ATOM 567 N GLY A 36 6.523 10.087 -1.883 1.00 63.44 N ATOM 568 CA GLY A 36 5.298 10.775 -2.278 1.00 14.12 C ATOM 569 C GLY A 36 4.737 10.299 -3.617 1.00 1.42 C ATOM 570 O GLY A 36 3.977 11.016 -4.270 1.00 52.12 O ATOM 0 H GLY A 36 6.392 9.357 -1.182 1.00 63.44 H new ATOM 0 HA2 GLY A 36 4.544 10.630 -1.505 1.00 14.12 H new ATOM 0 HA3 GLY A 36 5.494 11.846 -2.335 1.00 14.12 H new ATOM 574 N THR A 37 5.104 9.085 -4.026 1.00 32.44 N ATOM 575 CA THR A 37 4.618 8.513 -5.294 1.00 20.04 C ATOM 576 C THR A 37 3.442 7.553 -5.059 1.00 64.13 C ATOM 577 O THR A 37 3.005 6.849 -5.972 1.00 25.24 O ATOM 578 CB THR A 37 5.744 7.765 -6.059 1.00 4.04 C ATOM 579 OG1 THR A 37 5.271 7.324 -7.345 1.00 32.14 O ATOM 580 CG2 THR A 37 6.252 6.563 -5.265 1.00 50.22 C ATOM 0 H THR A 37 5.734 8.476 -3.504 1.00 32.44 H new ATOM 0 HA THR A 37 4.280 9.352 -5.902 1.00 20.04 H new ATOM 0 HB THR A 37 6.569 8.465 -6.195 1.00 4.04 H new ATOM 0 HG1 THR A 37 4.319 7.098 -7.284 1.00 32.14 H new ATOM 0 HG21 THR A 37 7.039 6.061 -5.828 1.00 50.22 H new ATOM 0 HG22 THR A 37 6.649 6.901 -4.308 1.00 50.22 H new ATOM 0 HG23 THR A 37 5.431 5.868 -5.092 1.00 50.22 H new ATOM 588 N VAL A 38 2.936 7.531 -3.829 1.00 53.51 N ATOM 589 CA VAL A 38 1.794 6.686 -3.464 1.00 63.02 C ATOM 590 C VAL A 38 0.480 7.474 -3.509 1.00 3.13 C ATOM 591 O VAL A 38 0.300 8.443 -2.767 1.00 11.42 O ATOM 592 CB VAL A 38 1.968 6.089 -2.044 1.00 45.24 C ATOM 593 CG1 VAL A 38 0.711 5.341 -1.600 1.00 41.12 C ATOM 594 CG2 VAL A 38 3.184 5.173 -1.994 1.00 21.34 C ATOM 0 H VAL A 38 3.300 8.093 -3.059 1.00 53.51 H new ATOM 0 HA VAL A 38 1.756 5.878 -4.195 1.00 63.02 H new ATOM 0 HB VAL A 38 2.127 6.915 -1.350 1.00 45.24 H new ATOM 0 HG11 VAL A 38 0.864 4.934 -0.601 1.00 41.12 H new ATOM 0 HG12 VAL A 38 -0.135 6.028 -1.586 1.00 41.12 H new ATOM 0 HG13 VAL A 38 0.507 4.527 -2.296 1.00 41.12 H new ATOM 0 HG21 VAL A 38 3.290 4.763 -0.989 1.00 21.34 H new ATOM 0 HG22 VAL A 38 3.055 4.358 -2.706 1.00 21.34 H new ATOM 0 HG23 VAL A 38 4.078 5.741 -2.250 1.00 21.34 H new ATOM 604 N GLN A 39 -0.427 7.065 -4.388 1.00 1.34 N ATOM 605 CA GLN A 39 -1.766 7.651 -4.445 1.00 3.14 C ATOM 606 C GLN A 39 -2.812 6.690 -3.876 1.00 44.25 C ATOM 607 O GLN A 39 -2.733 5.474 -4.066 1.00 74.53 O ATOM 608 CB GLN A 39 -2.162 8.013 -5.883 1.00 31.32 C ATOM 609 CG GLN A 39 -1.285 9.072 -6.530 1.00 33.41 C ATOM 610 CD GLN A 39 -1.787 9.481 -7.903 1.00 72.41 C ATOM 611 OE1 GLN A 39 -2.412 8.694 -8.613 1.00 4.14 O ATOM 612 NE2 GLN A 39 -1.531 10.712 -8.289 1.00 51.24 N ATOM 0 H GLN A 39 -0.262 6.328 -5.074 1.00 1.34 H new ATOM 0 HA GLN A 39 -1.736 8.559 -3.843 1.00 3.14 H new ATOM 0 HB2 GLN A 39 -2.130 7.110 -6.493 1.00 31.32 H new ATOM 0 HB3 GLN A 39 -3.194 8.363 -5.885 1.00 31.32 H new ATOM 0 HG2 GLN A 39 -1.244 9.950 -5.885 1.00 33.41 H new ATOM 0 HG3 GLN A 39 -0.267 8.693 -6.617 1.00 33.41 H new ATOM 0 HE21 GLN A 39 -1.010 11.340 -7.677 1.00 51.24 H new ATOM 0 HE22 GLN A 39 -1.853 11.038 -9.200 1.00 51.24 H new ATOM 621 N ARG A 40 -3.782 7.248 -3.168 1.00 22.13 N ATOM 622 CA ARG A 40 -4.966 6.504 -2.750 1.00 1.14 C ATOM 623 C ARG A 40 -5.775 6.110 -3.994 1.00 13.01 C ATOM 624 O ARG A 40 -5.824 6.873 -4.961 1.00 53.33 O ATOM 625 CB ARG A 40 -5.825 7.387 -1.828 1.00 1.02 C ATOM 626 CG ARG A 40 -5.039 8.044 -0.691 1.00 42.01 C ATOM 627 CD ARG A 40 -4.675 7.052 0.407 1.00 33.02 C ATOM 628 NE ARG A 40 -5.836 6.689 1.218 1.00 32.45 N ATOM 629 CZ ARG A 40 -5.835 5.746 2.117 1.00 61.42 C ATOM 630 NH1 ARG A 40 -4.796 4.995 2.297 1.00 75.24 N ATOM 631 NH2 ARG A 40 -6.884 5.548 2.847 1.00 31.40 N ATOM 0 H ARG A 40 -3.774 8.223 -2.867 1.00 22.13 H new ATOM 0 HA ARG A 40 -4.668 5.605 -2.210 1.00 1.14 H new ATOM 0 HB2 ARG A 40 -6.300 8.165 -2.425 1.00 1.02 H new ATOM 0 HB3 ARG A 40 -6.624 6.781 -1.401 1.00 1.02 H new ATOM 0 HG2 ARG A 40 -4.129 8.490 -1.092 1.00 42.01 H new ATOM 0 HG3 ARG A 40 -5.630 8.855 -0.264 1.00 42.01 H new ATOM 0 HD2 ARG A 40 -4.250 6.154 -0.041 1.00 33.02 H new ATOM 0 HD3 ARG A 40 -3.906 7.484 1.047 1.00 33.02 H new ATOM 0 HE ARG A 40 -6.702 7.207 1.071 1.00 32.45 H new ATOM 0 HH11 ARG A 40 -3.960 5.137 1.730 1.00 75.24 H new ATOM 0 HH12 ARG A 40 -4.813 4.262 3.006 1.00 75.24 H new ATOM 0 HH21 ARG A 40 -7.712 6.130 2.719 1.00 31.40 H new ATOM 0 HH22 ARG A 40 -6.884 4.810 3.551 1.00 31.40 H new ATOM 645 N ALA A 41 -6.410 4.942 -3.981 1.00 25.24 N ATOM 646 CA ALA A 41 -7.211 4.487 -5.133 1.00 52.22 C ATOM 647 C ALA A 41 -8.240 5.543 -5.588 1.00 11.21 C ATOM 648 O ALA A 41 -8.766 5.475 -6.701 1.00 33.03 O ATOM 649 CB ALA A 41 -7.911 3.175 -4.807 1.00 34.54 C ATOM 0 H ALA A 41 -6.392 4.291 -3.196 1.00 25.24 H new ATOM 0 HA ALA A 41 -6.520 4.332 -5.962 1.00 52.22 H new ATOM 0 HB1 ALA A 41 -8.498 2.852 -5.667 1.00 34.54 H new ATOM 0 HB2 ALA A 41 -7.167 2.415 -4.570 1.00 34.54 H new ATOM 0 HB3 ALA A 41 -8.570 3.317 -3.951 1.00 34.54 H new ATOM 655 N ASP A 42 -8.523 6.514 -4.720 1.00 14.22 N ATOM 656 CA ASP A 42 -9.444 7.606 -5.045 1.00 73.03 C ATOM 657 C ASP A 42 -8.742 8.735 -5.833 1.00 34.12 C ATOM 658 O ASP A 42 -9.371 9.407 -6.657 1.00 51.35 O ATOM 659 CB ASP A 42 -10.070 8.151 -3.756 1.00 11.33 C ATOM 660 CG ASP A 42 -11.190 9.139 -4.028 1.00 42.25 C ATOM 661 OD1 ASP A 42 -12.271 8.706 -4.478 1.00 12.35 O ATOM 662 OD2 ASP A 42 -10.999 10.353 -3.798 1.00 2.43 O ATOM 0 H ASP A 42 -8.126 6.568 -3.782 1.00 14.22 H new ATOM 0 HA ASP A 42 -10.229 7.209 -5.688 1.00 73.03 H new ATOM 0 HB2 ASP A 42 -10.457 7.321 -3.165 1.00 11.33 H new ATOM 0 HB3 ASP A 42 -9.299 8.636 -3.158 1.00 11.33 H new ATOM 667 N GLY A 43 -7.444 8.948 -5.587 1.00 40.21 N ATOM 668 CA GLY A 43 -6.690 9.944 -6.355 1.00 25.13 C ATOM 669 C GLY A 43 -5.595 10.677 -5.569 1.00 42.32 C ATOM 670 O GLY A 43 -4.485 10.866 -6.073 1.00 65.22 O ATOM 0 H GLY A 43 -6.903 8.455 -4.877 1.00 40.21 H new ATOM 0 HA2 GLY A 43 -6.232 9.449 -7.212 1.00 25.13 H new ATOM 0 HA3 GLY A 43 -7.389 10.682 -6.749 1.00 25.13 H new ATOM 674 N SER A 44 -5.905 11.097 -4.344 1.00 1.34 N ATOM 675 CA SER A 44 -4.989 11.941 -3.543 1.00 62.41 C ATOM 676 C SER A 44 -3.708 11.204 -3.117 1.00 34.33 C ATOM 677 O SER A 44 -3.638 9.979 -3.151 1.00 63.22 O ATOM 678 CB SER A 44 -5.709 12.470 -2.294 1.00 62.03 C ATOM 679 OG SER A 44 -4.854 13.286 -1.506 1.00 14.43 O ATOM 0 H SER A 44 -6.782 10.872 -3.875 1.00 1.34 H new ATOM 0 HA SER A 44 -4.690 12.768 -4.188 1.00 62.41 H new ATOM 0 HB2 SER A 44 -6.586 13.044 -2.594 1.00 62.03 H new ATOM 0 HB3 SER A 44 -6.066 11.631 -1.696 1.00 62.03 H new ATOM 0 HG SER A 44 -5.342 13.608 -0.720 1.00 14.43 H new ATOM 685 N ILE A 45 -2.709 11.974 -2.687 1.00 20.55 N ATOM 686 CA ILE A 45 -1.412 11.428 -2.258 1.00 35.30 C ATOM 687 C ILE A 45 -1.444 10.971 -0.790 1.00 51.23 C ATOM 688 O ILE A 45 -1.996 11.655 0.074 1.00 5.33 O ATOM 689 CB ILE A 45 -0.284 12.483 -2.433 1.00 44.41 C ATOM 690 CG1 ILE A 45 -0.073 12.816 -3.920 1.00 32.24 C ATOM 691 CG2 ILE A 45 1.028 12.014 -1.793 1.00 4.45 C ATOM 692 CD1 ILE A 45 0.450 11.655 -4.741 1.00 10.00 C ATOM 0 H ILE A 45 -2.770 12.990 -2.625 1.00 20.55 H new ATOM 0 HA ILE A 45 -1.209 10.564 -2.890 1.00 35.30 H new ATOM 0 HB ILE A 45 -0.599 13.390 -1.917 1.00 44.41 H new ATOM 0 HG12 ILE A 45 -1.019 13.152 -4.345 1.00 32.24 H new ATOM 0 HG13 ILE A 45 0.626 13.649 -4.000 1.00 32.24 H new ATOM 0 HG21 ILE A 45 1.795 12.776 -1.934 1.00 4.45 H new ATOM 0 HG22 ILE A 45 0.874 11.848 -0.727 1.00 4.45 H new ATOM 0 HG23 ILE A 45 1.350 11.084 -2.262 1.00 4.45 H new ATOM 0 HD11 ILE A 45 0.572 11.968 -5.778 1.00 10.00 H new ATOM 0 HD12 ILE A 45 1.412 11.332 -4.343 1.00 10.00 H new ATOM 0 HD13 ILE A 45 -0.258 10.828 -4.693 1.00 10.00 H new ATOM 704 N GLN A 46 -0.844 9.814 -0.512 1.00 24.34 N ATOM 705 CA GLN A 46 -0.716 9.307 0.861 1.00 40.43 C ATOM 706 C GLN A 46 0.717 9.484 1.388 1.00 15.24 C ATOM 707 O GLN A 46 1.649 8.808 0.949 1.00 24.54 O ATOM 708 CB GLN A 46 -1.136 7.830 0.937 1.00 21.20 C ATOM 709 CG GLN A 46 -0.783 7.144 2.262 1.00 33.32 C ATOM 710 CD GLN A 46 -1.580 5.869 2.502 1.00 33.14 C ATOM 711 OE1 GLN A 46 -2.037 5.218 1.570 1.00 72.21 O ATOM 712 NE2 GLN A 46 -1.733 5.492 3.758 1.00 73.41 N ATOM 0 H GLN A 46 -0.436 9.205 -1.221 1.00 24.34 H new ATOM 0 HA GLN A 46 -1.384 9.891 1.494 1.00 40.43 H new ATOM 0 HB2 GLN A 46 -2.213 7.761 0.781 1.00 21.20 H new ATOM 0 HB3 GLN A 46 -0.660 7.286 0.121 1.00 21.20 H new ATOM 0 HG2 GLN A 46 0.281 6.908 2.270 1.00 33.32 H new ATOM 0 HG3 GLN A 46 -0.962 7.838 3.083 1.00 33.32 H new ATOM 0 HE21 GLN A 46 -1.340 6.056 4.511 1.00 73.41 H new ATOM 0 HE22 GLN A 46 -2.244 4.636 3.975 1.00 73.41 H new ATOM 721 N ASN A 47 0.884 10.410 2.329 1.00 42.11 N ATOM 722 CA ASN A 47 2.187 10.665 2.961 1.00 12.15 C ATOM 723 C ASN A 47 2.232 10.098 4.393 1.00 32.14 C ATOM 724 O ASN A 47 3.078 10.473 5.205 1.00 43.13 O ATOM 725 CB ASN A 47 2.480 12.174 2.952 1.00 14.21 C ATOM 726 CG ASN A 47 1.345 13.003 3.528 1.00 51.23 C ATOM 727 OD1 ASN A 47 0.667 12.599 4.464 1.00 64.35 O ATOM 728 ND2 ASN A 47 1.113 14.167 2.957 1.00 43.31 N ATOM 0 H ASN A 47 0.130 11.003 2.676 1.00 42.11 H new ATOM 0 HA ASN A 47 2.961 10.154 2.388 1.00 12.15 H new ATOM 0 HB2 ASN A 47 3.388 12.365 3.523 1.00 14.21 H new ATOM 0 HB3 ASN A 47 2.674 12.495 1.928 1.00 14.21 H new ATOM 0 HD21 ASN A 47 0.352 14.757 3.293 1.00 43.31 H new ATOM 0 HD22 ASN A 47 1.694 14.478 2.179 1.00 43.31 H new ATOM 735 N GLN A 48 1.323 9.168 4.681 1.00 2.02 N ATOM 736 CA GLN A 48 1.247 8.517 5.993 1.00 75.11 C ATOM 737 C GLN A 48 1.859 7.109 5.937 1.00 54.44 C ATOM 738 O GLN A 48 1.317 6.214 5.284 1.00 62.52 O ATOM 739 CB GLN A 48 -0.218 8.432 6.447 1.00 42.14 C ATOM 740 CG GLN A 48 -0.934 9.779 6.479 1.00 64.32 C ATOM 741 CD GLN A 48 -2.390 9.660 6.894 1.00 20.32 C ATOM 742 OE1 GLN A 48 -2.764 8.775 7.659 1.00 50.54 O ATOM 743 NE2 GLN A 48 -3.226 10.550 6.398 1.00 13.40 N ATOM 0 H GLN A 48 0.620 8.844 4.017 1.00 2.02 H new ATOM 0 HA GLN A 48 1.814 9.112 6.709 1.00 75.11 H new ATOM 0 HB2 GLN A 48 -0.757 7.761 5.778 1.00 42.14 H new ATOM 0 HB3 GLN A 48 -0.255 7.988 7.442 1.00 42.14 H new ATOM 0 HG2 GLN A 48 -0.417 10.444 7.170 1.00 64.32 H new ATOM 0 HG3 GLN A 48 -0.878 10.239 5.492 1.00 64.32 H new ATOM 0 HE21 GLN A 48 -2.885 11.273 5.765 1.00 13.40 H new ATOM 0 HE22 GLN A 48 -4.214 10.516 6.647 1.00 13.40 H new ATOM 752 N SER A 49 2.989 6.916 6.620 1.00 14.32 N ATOM 753 CA SER A 49 3.707 5.631 6.581 1.00 51.53 C ATOM 754 C SER A 49 2.958 4.533 7.352 1.00 24.43 C ATOM 755 O SER A 49 2.667 4.676 8.541 1.00 25.43 O ATOM 756 CB SER A 49 5.133 5.783 7.139 1.00 55.01 C ATOM 757 OG SER A 49 5.129 6.148 8.513 1.00 31.34 O ATOM 0 H SER A 49 3.429 7.626 7.205 1.00 14.32 H new ATOM 0 HA SER A 49 3.764 5.329 5.535 1.00 51.53 H new ATOM 0 HB2 SER A 49 5.673 4.845 7.014 1.00 55.01 H new ATOM 0 HB3 SER A 49 5.669 6.538 6.564 1.00 55.01 H new ATOM 0 HG SER A 49 4.336 5.771 8.949 1.00 31.34 H new ATOM 763 N LEU A 50 2.647 3.435 6.665 1.00 12.02 N ATOM 764 CA LEU A 50 1.944 2.302 7.278 1.00 75.24 C ATOM 765 C LEU A 50 2.900 1.131 7.578 1.00 41.25 C ATOM 766 O LEU A 50 3.676 0.702 6.726 1.00 44.53 O ATOM 767 CB LEU A 50 0.756 1.862 6.389 1.00 42.41 C ATOM 768 CG LEU A 50 0.990 1.872 4.858 1.00 4.20 C ATOM 769 CD1 LEU A 50 1.888 0.718 4.410 1.00 45.15 C ATOM 770 CD2 LEU A 50 -0.345 1.834 4.112 1.00 3.14 C ATOM 0 H LEU A 50 2.871 3.303 5.679 1.00 12.02 H new ATOM 0 HA LEU A 50 1.545 2.629 8.238 1.00 75.24 H new ATOM 0 HB2 LEU A 50 0.468 0.853 6.682 1.00 42.41 H new ATOM 0 HB3 LEU A 50 -0.091 2.512 6.608 1.00 42.41 H new ATOM 0 HG LEU A 50 1.506 2.800 4.612 1.00 4.20 H new ATOM 0 HD11 LEU A 50 2.026 0.763 3.330 1.00 45.15 H new ATOM 0 HD12 LEU A 50 2.857 0.798 4.903 1.00 45.15 H new ATOM 0 HD13 LEU A 50 1.422 -0.230 4.677 1.00 45.15 H new ATOM 0 HD21 LEU A 50 -0.162 1.842 3.038 1.00 3.14 H new ATOM 0 HD22 LEU A 50 -0.887 0.927 4.381 1.00 3.14 H new ATOM 0 HD23 LEU A 50 -0.939 2.706 4.385 1.00 3.14 H new ATOM 782 N HIS A 51 2.850 0.621 8.807 1.00 1.40 N ATOM 783 CA HIS A 51 3.744 -0.465 9.239 1.00 42.43 C ATOM 784 C HIS A 51 3.011 -1.813 9.337 1.00 30.51 C ATOM 785 O HIS A 51 3.569 -2.800 9.818 1.00 15.31 O ATOM 786 CB HIS A 51 4.392 -0.098 10.580 1.00 23.24 C ATOM 787 CG HIS A 51 5.337 1.063 10.477 1.00 20.03 C ATOM 788 ND1 HIS A 51 6.700 0.931 10.612 1.00 42.13 N ATOM 789 CD2 HIS A 51 5.113 2.380 10.240 1.00 50.41 C ATOM 790 CE1 HIS A 51 7.273 2.108 10.461 1.00 54.12 C ATOM 791 NE2 HIS A 51 6.335 3.003 10.234 1.00 23.10 N ATOM 0 H HIS A 51 2.201 0.939 9.526 1.00 1.40 H new ATOM 0 HA HIS A 51 4.520 -0.583 8.483 1.00 42.43 H new ATOM 0 HB2 HIS A 51 3.611 0.140 11.302 1.00 23.24 H new ATOM 0 HB3 HIS A 51 4.930 -0.964 10.966 1.00 23.24 H new ATOM 0 HD2 HIS A 51 4.153 2.850 10.085 1.00 50.41 H new ATOM 0 HE1 HIS A 51 8.334 2.305 10.514 1.00 54.12 H new ATOM 0 HE2 HIS A 51 6.492 3.999 10.079 1.00 23.10 H new ATOM 800 N GLU A 52 1.768 -1.845 8.869 1.00 64.03 N ATOM 801 CA GLU A 52 0.998 -3.089 8.782 1.00 11.04 C ATOM 802 C GLU A 52 -0.090 -2.958 7.709 1.00 34.14 C ATOM 803 O GLU A 52 -0.795 -1.945 7.649 1.00 13.51 O ATOM 804 CB GLU A 52 0.367 -3.443 10.136 1.00 4.55 C ATOM 805 CG GLU A 52 -0.183 -4.866 10.201 1.00 34.03 C ATOM 806 CD GLU A 52 0.902 -5.919 10.015 1.00 34.40 C ATOM 807 OE1 GLU A 52 1.170 -6.307 8.863 1.00 71.40 O ATOM 808 OE2 GLU A 52 1.500 -6.351 11.025 1.00 2.24 O ATOM 0 H GLU A 52 1.266 -1.020 8.541 1.00 64.03 H new ATOM 0 HA GLU A 52 1.679 -3.894 8.505 1.00 11.04 H new ATOM 0 HB2 GLU A 52 1.114 -3.315 10.920 1.00 4.55 H new ATOM 0 HB3 GLU A 52 -0.440 -2.741 10.346 1.00 4.55 H new ATOM 0 HG2 GLU A 52 -0.673 -5.019 11.163 1.00 34.03 H new ATOM 0 HG3 GLU A 52 -0.944 -4.993 9.432 1.00 34.03 H new ATOM 815 N ALA A 53 -0.230 -3.973 6.861 1.00 43.44 N ATOM 816 CA ALA A 53 -1.125 -3.875 5.705 1.00 61.34 C ATOM 817 C ALA A 53 -1.509 -5.251 5.138 1.00 44.42 C ATOM 818 O ALA A 53 -1.027 -6.289 5.590 1.00 60.04 O ATOM 819 CB ALA A 53 -0.469 -3.019 4.625 1.00 43.31 C ATOM 0 H ALA A 53 0.257 -4.865 6.948 1.00 43.44 H new ATOM 0 HA ALA A 53 -2.050 -3.406 6.041 1.00 61.34 H new ATOM 0 HB1 ALA A 53 -1.134 -2.946 3.765 1.00 43.31 H new ATOM 0 HB2 ALA A 53 -0.275 -2.022 5.019 1.00 43.31 H new ATOM 0 HB3 ALA A 53 0.471 -3.477 4.318 1.00 43.31 H new ATOM 825 N LEU A 54 -2.388 -5.238 4.140 1.00 71.41 N ATOM 826 CA LEU A 54 -2.835 -6.458 3.458 1.00 73.15 C ATOM 827 C LEU A 54 -2.479 -6.407 1.965 1.00 61.12 C ATOM 828 O LEU A 54 -2.778 -5.430 1.280 1.00 0.22 O ATOM 829 CB LEU A 54 -4.353 -6.630 3.619 1.00 75.21 C ATOM 830 CG LEU A 54 -4.855 -6.773 5.065 1.00 51.41 C ATOM 831 CD1 LEU A 54 -6.379 -6.836 5.104 1.00 2.03 C ATOM 832 CD2 LEU A 54 -4.250 -8.008 5.726 1.00 4.24 C ATOM 0 H LEU A 54 -2.813 -4.384 3.778 1.00 71.41 H new ATOM 0 HA LEU A 54 -2.325 -7.307 3.912 1.00 73.15 H new ATOM 0 HB2 LEU A 54 -4.848 -5.772 3.165 1.00 75.21 H new ATOM 0 HB3 LEU A 54 -4.663 -7.511 3.057 1.00 75.21 H new ATOM 0 HG LEU A 54 -4.535 -5.894 5.624 1.00 51.41 H new ATOM 0 HD11 LEU A 54 -6.713 -6.937 6.137 1.00 2.03 H new ATOM 0 HD12 LEU A 54 -6.792 -5.922 4.677 1.00 2.03 H new ATOM 0 HD13 LEU A 54 -6.723 -7.694 4.526 1.00 2.03 H new ATOM 0 HD21 LEU A 54 -4.618 -8.091 6.749 1.00 4.24 H new ATOM 0 HD22 LEU A 54 -4.535 -8.898 5.165 1.00 4.24 H new ATOM 0 HD23 LEU A 54 -3.164 -7.919 5.738 1.00 4.24 H new ATOM 844 N ILE A 55 -1.856 -7.464 1.461 1.00 53.44 N ATOM 845 CA ILE A 55 -1.471 -7.539 0.049 1.00 63.23 C ATOM 846 C ILE A 55 -2.456 -8.415 -0.744 1.00 54.31 C ATOM 847 O ILE A 55 -2.823 -9.508 -0.310 1.00 53.44 O ATOM 848 CB ILE A 55 -0.029 -8.103 -0.106 1.00 75.33 C ATOM 849 CG1 ILE A 55 0.396 -8.142 -1.588 1.00 1.20 C ATOM 850 CG2 ILE A 55 0.088 -9.492 0.523 1.00 33.12 C ATOM 851 CD1 ILE A 55 0.458 -6.779 -2.252 1.00 54.11 C ATOM 0 H ILE A 55 -1.603 -8.287 2.008 1.00 53.44 H new ATOM 0 HA ILE A 55 -1.498 -6.526 -0.352 1.00 63.23 H new ATOM 0 HB ILE A 55 0.647 -7.431 0.423 1.00 75.33 H new ATOM 0 HG12 ILE A 55 1.375 -8.615 -1.661 1.00 1.20 H new ATOM 0 HG13 ILE A 55 -0.303 -8.771 -2.139 1.00 1.20 H new ATOM 0 HG21 ILE A 55 1.106 -9.862 0.400 1.00 33.12 H new ATOM 0 HG22 ILE A 55 -0.151 -9.432 1.585 1.00 33.12 H new ATOM 0 HG23 ILE A 55 -0.608 -10.173 0.033 1.00 33.12 H new ATOM 0 HD11 ILE A 55 0.764 -6.894 -3.292 1.00 54.11 H new ATOM 0 HD12 ILE A 55 -0.525 -6.310 -2.213 1.00 54.11 H new ATOM 0 HD13 ILE A 55 1.180 -6.152 -1.729 1.00 54.11 H new ATOM 863 N THR A 56 -2.906 -7.918 -1.893 1.00 12.22 N ATOM 864 CA THR A 56 -3.769 -8.708 -2.781 1.00 53.30 C ATOM 865 C THR A 56 -3.024 -9.926 -3.336 1.00 1.23 C ATOM 866 O THR A 56 -1.811 -9.883 -3.549 1.00 64.30 O ATOM 867 CB THR A 56 -4.305 -7.872 -3.967 1.00 41.20 C ATOM 868 OG1 THR A 56 -3.217 -7.242 -4.663 1.00 24.11 O ATOM 869 CG2 THR A 56 -5.301 -6.816 -3.495 1.00 73.22 C ATOM 0 H THR A 56 -2.692 -6.980 -2.233 1.00 12.22 H new ATOM 0 HA THR A 56 -4.612 -9.036 -2.173 1.00 53.30 H new ATOM 0 HB THR A 56 -4.823 -8.549 -4.646 1.00 41.20 H new ATOM 0 HG1 THR A 56 -2.867 -6.503 -4.123 1.00 24.11 H new ATOM 0 HG21 THR A 56 -5.659 -6.245 -4.352 1.00 73.22 H new ATOM 0 HG22 THR A 56 -6.144 -7.304 -3.006 1.00 73.22 H new ATOM 0 HG23 THR A 56 -4.812 -6.144 -2.790 1.00 73.22 H new ATOM 877 N ARG A 57 -3.759 -11.004 -3.591 1.00 31.41 N ATOM 878 CA ARG A 57 -3.165 -12.272 -4.044 1.00 1.54 C ATOM 879 C ARG A 57 -2.333 -12.091 -5.330 1.00 44.34 C ATOM 880 O ARG A 57 -1.292 -12.727 -5.507 1.00 64.10 O ATOM 881 CB ARG A 57 -4.286 -13.297 -4.273 1.00 44.41 C ATOM 882 CG ARG A 57 -3.807 -14.739 -4.426 1.00 35.11 C ATOM 883 CD ARG A 57 -4.980 -15.699 -4.606 1.00 51.22 C ATOM 884 NE ARG A 57 -4.572 -17.092 -4.483 1.00 62.23 N ATOM 885 CZ ARG A 57 -5.331 -18.111 -4.774 1.00 71.11 C ATOM 886 NH1 ARG A 57 -6.523 -17.942 -5.263 1.00 73.21 N ATOM 887 NH2 ARG A 57 -4.894 -19.305 -4.573 1.00 25.43 N ATOM 0 H ARG A 57 -4.774 -11.031 -3.493 1.00 31.41 H new ATOM 0 HA ARG A 57 -2.485 -12.629 -3.271 1.00 1.54 H new ATOM 0 HB2 ARG A 57 -4.983 -13.246 -3.437 1.00 44.41 H new ATOM 0 HB3 ARG A 57 -4.841 -13.015 -5.168 1.00 44.41 H new ATOM 0 HG2 ARG A 57 -3.139 -14.813 -5.284 1.00 35.11 H new ATOM 0 HG3 ARG A 57 -3.230 -15.028 -3.547 1.00 35.11 H new ATOM 0 HD2 ARG A 57 -5.745 -15.479 -3.862 1.00 51.22 H new ATOM 0 HD3 ARG A 57 -5.432 -15.539 -5.585 1.00 51.22 H new ATOM 0 HE ARG A 57 -3.628 -17.283 -4.146 1.00 62.23 H new ATOM 0 HH11 ARG A 57 -6.879 -17.000 -5.425 1.00 73.21 H new ATOM 0 HH12 ARG A 57 -7.103 -18.751 -5.485 1.00 73.21 H new ATOM 0 HH21 ARG A 57 -3.960 -19.448 -4.189 1.00 25.43 H new ATOM 0 HH22 ARG A 57 -5.482 -20.108 -4.798 1.00 25.43 H new ATOM 901 N ASP A 58 -2.783 -11.195 -6.207 1.00 20.24 N ATOM 902 CA ASP A 58 -2.088 -10.933 -7.473 1.00 24.32 C ATOM 903 C ASP A 58 -1.073 -9.783 -7.354 1.00 13.42 C ATOM 904 O ASP A 58 -0.406 -9.440 -8.330 1.00 44.33 O ATOM 905 CB ASP A 58 -3.110 -10.608 -8.565 1.00 73.33 C ATOM 906 CG ASP A 58 -4.087 -11.745 -8.777 1.00 5.31 C ATOM 907 OD1 ASP A 58 -3.718 -12.733 -9.451 1.00 62.34 O ATOM 908 OD2 ASP A 58 -5.222 -11.666 -8.261 1.00 50.24 O ATOM 0 H ASP A 58 -3.625 -10.637 -6.067 1.00 20.24 H new ATOM 0 HA ASP A 58 -1.533 -11.834 -7.734 1.00 24.32 H new ATOM 0 HB2 ASP A 58 -3.657 -9.705 -8.294 1.00 73.33 H new ATOM 0 HB3 ASP A 58 -2.589 -10.397 -9.499 1.00 73.33 H new ATOM 913 N ARG A 59 -0.949 -9.211 -6.150 1.00 4.04 N ATOM 914 CA ARG A 59 -0.058 -8.063 -5.913 1.00 22.24 C ATOM 915 C ARG A 59 -0.465 -6.847 -6.775 1.00 12.11 C ATOM 916 O ARG A 59 0.388 -6.112 -7.271 1.00 55.32 O ATOM 917 CB ARG A 59 1.416 -8.445 -6.173 1.00 71.10 C ATOM 918 CG ARG A 59 2.080 -9.233 -5.039 1.00 52.34 C ATOM 919 CD ARG A 59 1.424 -10.589 -4.800 1.00 34.32 C ATOM 920 NE ARG A 59 2.091 -11.330 -3.731 1.00 13.33 N ATOM 921 CZ ARG A 59 1.730 -12.514 -3.314 1.00 2.10 C ATOM 922 NH1 ARG A 59 0.710 -13.118 -3.834 1.00 3.15 N ATOM 923 NH2 ARG A 59 2.391 -13.093 -2.367 1.00 20.41 N ATOM 0 H ARG A 59 -1.455 -9.524 -5.321 1.00 4.04 H new ATOM 0 HA ARG A 59 -0.159 -7.780 -4.865 1.00 22.24 H new ATOM 0 HB2 ARG A 59 1.469 -9.036 -7.088 1.00 71.10 H new ATOM 0 HB3 ARG A 59 1.988 -7.534 -6.348 1.00 71.10 H new ATOM 0 HG2 ARG A 59 3.134 -9.381 -5.274 1.00 52.34 H new ATOM 0 HG3 ARG A 59 2.037 -8.647 -4.121 1.00 52.34 H new ATOM 0 HD2 ARG A 59 0.374 -10.446 -4.544 1.00 34.32 H new ATOM 0 HD3 ARG A 59 1.450 -11.174 -5.720 1.00 34.32 H new ATOM 0 HE ARG A 59 2.894 -10.892 -3.279 1.00 13.33 H new ATOM 0 HH11 ARG A 59 0.177 -12.669 -4.579 1.00 3.15 H new ATOM 0 HH12 ARG A 59 0.439 -14.042 -3.499 1.00 3.15 H new ATOM 0 HH21 ARG A 59 3.194 -12.626 -1.946 1.00 20.41 H new ATOM 0 HH22 ARG A 59 2.110 -14.018 -2.040 1.00 20.41 H new ATOM 937 N LYS A 60 -1.774 -6.635 -6.917 1.00 41.50 N ATOM 938 CA LYS A 60 -2.306 -5.514 -7.713 1.00 41.12 C ATOM 939 C LYS A 60 -2.639 -4.296 -6.823 1.00 14.51 C ATOM 940 O LYS A 60 -2.372 -3.152 -7.189 1.00 74.11 O ATOM 941 CB LYS A 60 -3.558 -5.961 -8.488 1.00 34.42 C ATOM 942 CG LYS A 60 -4.677 -6.514 -7.600 1.00 33.44 C ATOM 943 CD LYS A 60 -5.941 -6.849 -8.391 1.00 13.22 C ATOM 944 CE LYS A 60 -5.704 -7.943 -9.431 1.00 3.21 C ATOM 945 NZ LYS A 60 -6.952 -8.290 -10.163 1.00 13.44 N ATOM 0 H LYS A 60 -2.491 -7.223 -6.493 1.00 41.50 H new ATOM 0 HA LYS A 60 -1.534 -5.211 -8.420 1.00 41.12 H new ATOM 0 HB2 LYS A 60 -3.943 -5.114 -9.055 1.00 34.42 H new ATOM 0 HB3 LYS A 60 -3.272 -6.724 -9.211 1.00 34.42 H new ATOM 0 HG2 LYS A 60 -4.323 -7.410 -7.091 1.00 33.44 H new ATOM 0 HG3 LYS A 60 -4.918 -5.783 -6.828 1.00 33.44 H new ATOM 0 HD2 LYS A 60 -6.723 -7.169 -7.703 1.00 13.22 H new ATOM 0 HD3 LYS A 60 -6.304 -5.950 -8.889 1.00 13.22 H new ATOM 0 HE2 LYS A 60 -4.947 -7.611 -10.141 1.00 3.21 H new ATOM 0 HE3 LYS A 60 -5.312 -8.833 -8.939 1.00 3.21 H new ATOM 0 HZ1 LYS A 60 -6.750 -9.036 -10.859 1.00 13.44 H new ATOM 0 HZ2 LYS A 60 -7.667 -8.631 -9.489 1.00 13.44 H new ATOM 0 HZ3 LYS A 60 -7.313 -7.447 -10.653 1.00 13.44 H new ATOM 959 N GLN A 61 -3.229 -4.556 -5.658 1.00 33.31 N ATOM 960 CA GLN A 61 -3.585 -3.498 -4.700 1.00 3.40 C ATOM 961 C GLN A 61 -3.056 -3.837 -3.294 1.00 1.31 C ATOM 962 O GLN A 61 -2.778 -5.001 -2.987 1.00 33.13 O ATOM 963 CB GLN A 61 -5.114 -3.321 -4.641 1.00 2.04 C ATOM 964 CG GLN A 61 -5.778 -3.057 -5.993 1.00 63.33 C ATOM 965 CD GLN A 61 -5.413 -1.708 -6.597 1.00 25.20 C ATOM 966 OE1 GLN A 61 -5.145 -0.745 -5.888 1.00 54.31 O ATOM 967 NE2 GLN A 61 -5.420 -1.622 -7.914 1.00 50.01 N ATOM 0 H GLN A 61 -3.474 -5.496 -5.348 1.00 33.31 H new ATOM 0 HA GLN A 61 -3.126 -2.569 -5.038 1.00 3.40 H new ATOM 0 HB2 GLN A 61 -5.554 -4.218 -4.204 1.00 2.04 H new ATOM 0 HB3 GLN A 61 -5.345 -2.494 -3.970 1.00 2.04 H new ATOM 0 HG2 GLN A 61 -5.493 -3.846 -6.689 1.00 63.33 H new ATOM 0 HG3 GLN A 61 -6.860 -3.112 -5.874 1.00 63.33 H new ATOM 0 HE21 GLN A 61 -5.647 -2.441 -8.477 1.00 50.01 H new ATOM 0 HE22 GLN A 61 -5.198 -0.736 -8.368 1.00 50.01 H new ATOM 976 N VAL A 62 -2.916 -2.818 -2.448 1.00 42.54 N ATOM 977 CA VAL A 62 -2.495 -3.007 -1.050 1.00 40.22 C ATOM 978 C VAL A 62 -3.445 -2.276 -0.088 1.00 53.31 C ATOM 979 O VAL A 62 -3.616 -1.067 -0.184 1.00 21.23 O ATOM 980 CB VAL A 62 -1.050 -2.486 -0.813 1.00 43.31 C ATOM 981 CG1 VAL A 62 -0.616 -2.715 0.638 1.00 55.12 C ATOM 982 CG2 VAL A 62 -0.067 -3.140 -1.780 1.00 4.33 C ATOM 0 H VAL A 62 -3.088 -1.845 -2.703 1.00 42.54 H new ATOM 0 HA VAL A 62 -2.524 -4.079 -0.855 1.00 40.22 H new ATOM 0 HB VAL A 62 -1.047 -1.413 -1.002 1.00 43.31 H new ATOM 0 HG11 VAL A 62 0.399 -2.342 0.778 1.00 55.12 H new ATOM 0 HG12 VAL A 62 -1.293 -2.185 1.308 1.00 55.12 H new ATOM 0 HG13 VAL A 62 -0.644 -3.781 0.862 1.00 55.12 H new ATOM 0 HG21 VAL A 62 0.936 -2.758 -1.593 1.00 4.33 H new ATOM 0 HG22 VAL A 62 -0.077 -4.220 -1.634 1.00 4.33 H new ATOM 0 HG23 VAL A 62 -0.357 -2.910 -2.805 1.00 4.33 H new ATOM 992 N PHE A 63 -4.054 -3.007 0.839 1.00 43.14 N ATOM 993 CA PHE A 63 -4.948 -2.403 1.835 1.00 3.23 C ATOM 994 C PHE A 63 -4.195 -2.118 3.140 1.00 2.11 C ATOM 995 O PHE A 63 -3.115 -2.653 3.370 1.00 45.15 O ATOM 996 CB PHE A 63 -6.155 -3.314 2.097 1.00 25.23 C ATOM 997 CG PHE A 63 -7.069 -3.451 0.906 1.00 74.52 C ATOM 998 CD1 PHE A 63 -8.070 -2.518 0.673 1.00 55.20 C ATOM 999 CD2 PHE A 63 -6.926 -4.507 0.019 1.00 71.44 C ATOM 1000 CE1 PHE A 63 -8.909 -2.637 -0.418 1.00 63.44 C ATOM 1001 CE2 PHE A 63 -7.765 -4.630 -1.075 1.00 44.01 C ATOM 1002 CZ PHE A 63 -8.756 -3.695 -1.293 1.00 72.32 C ATOM 0 H PHE A 63 -3.949 -4.018 0.926 1.00 43.14 H new ATOM 0 HA PHE A 63 -5.311 -1.455 1.438 1.00 3.23 H new ATOM 0 HB2 PHE A 63 -5.799 -4.302 2.388 1.00 25.23 H new ATOM 0 HB3 PHE A 63 -6.724 -2.919 2.939 1.00 25.23 H new ATOM 0 HD1 PHE A 63 -8.194 -1.688 1.353 1.00 55.20 H new ATOM 0 HD2 PHE A 63 -6.152 -5.242 0.183 1.00 71.44 H new ATOM 0 HE1 PHE A 63 -9.684 -1.904 -0.587 1.00 63.44 H new ATOM 0 HE2 PHE A 63 -7.644 -5.458 -1.758 1.00 44.01 H new ATOM 0 HZ PHE A 63 -9.411 -3.790 -2.146 1.00 72.32 H new ATOM 1012 N ARG A 64 -4.769 -1.281 3.995 1.00 74.13 N ATOM 1013 CA ARG A 64 -4.086 -0.815 5.210 1.00 32.02 C ATOM 1014 C ARG A 64 -4.803 -1.279 6.492 1.00 73.23 C ATOM 1015 O ARG A 64 -6.028 -1.384 6.531 1.00 34.03 O ATOM 1016 CB ARG A 64 -3.986 0.718 5.162 1.00 33.40 C ATOM 1017 CG ARG A 64 -3.596 1.389 6.476 1.00 73.14 C ATOM 1018 CD ARG A 64 -3.642 2.909 6.348 1.00 60.01 C ATOM 1019 NE ARG A 64 -3.576 3.572 7.645 1.00 1.32 N ATOM 1020 CZ ARG A 64 -4.624 3.872 8.362 1.00 4.42 C ATOM 1021 NH1 ARG A 64 -5.817 3.590 7.942 1.00 44.40 N ATOM 1022 NH2 ARG A 64 -4.477 4.465 9.498 1.00 65.02 N ATOM 0 H ARG A 64 -5.710 -0.906 3.875 1.00 74.13 H new ATOM 0 HA ARG A 64 -3.088 -1.252 5.240 1.00 32.02 H new ATOM 0 HB2 ARG A 64 -3.255 0.994 4.402 1.00 33.40 H new ATOM 0 HB3 ARG A 64 -4.948 1.118 4.840 1.00 33.40 H new ATOM 0 HG2 ARG A 64 -4.272 1.066 7.268 1.00 73.14 H new ATOM 0 HG3 ARG A 64 -2.593 1.075 6.765 1.00 73.14 H new ATOM 0 HD2 ARG A 64 -2.812 3.245 5.727 1.00 60.01 H new ATOM 0 HD3 ARG A 64 -4.560 3.202 5.838 1.00 60.01 H new ATOM 0 HE ARG A 64 -2.657 3.816 8.013 1.00 1.32 H new ATOM 0 HH11 ARG A 64 -5.945 3.128 7.042 1.00 44.40 H new ATOM 0 HH12 ARG A 64 -6.628 3.830 8.512 1.00 44.40 H new ATOM 0 HH21 ARG A 64 -3.543 4.699 9.834 1.00 65.02 H new ATOM 0 HH22 ARG A 64 -5.295 4.700 10.060 1.00 65.02 H new ATOM 1036 N ILE A 65 -4.023 -1.567 7.535 1.00 12.44 N ATOM 1037 CA ILE A 65 -4.575 -1.988 8.828 1.00 14.11 C ATOM 1038 C ILE A 65 -4.293 -0.936 9.915 1.00 35.40 C ATOM 1039 O ILE A 65 -3.173 -0.441 10.031 1.00 53.23 O ATOM 1040 CB ILE A 65 -3.979 -3.349 9.281 1.00 4.14 C ATOM 1041 CG1 ILE A 65 -4.203 -4.425 8.205 1.00 15.42 C ATOM 1042 CG2 ILE A 65 -4.587 -3.788 10.615 1.00 72.13 C ATOM 1043 CD1 ILE A 65 -3.605 -5.775 8.554 1.00 53.15 C ATOM 0 H ILE A 65 -3.005 -1.517 7.511 1.00 12.44 H new ATOM 0 HA ILE A 65 -5.651 -2.096 8.694 1.00 14.11 H new ATOM 0 HB ILE A 65 -2.905 -3.221 9.419 1.00 4.14 H new ATOM 0 HG12 ILE A 65 -5.274 -4.544 8.041 1.00 15.42 H new ATOM 0 HG13 ILE A 65 -3.773 -4.080 7.265 1.00 15.42 H new ATOM 0 HG21 ILE A 65 -4.156 -4.743 10.914 1.00 72.13 H new ATOM 0 HG22 ILE A 65 -4.372 -3.039 11.377 1.00 72.13 H new ATOM 0 HG23 ILE A 65 -5.666 -3.895 10.505 1.00 72.13 H new ATOM 0 HD11 ILE A 65 -3.804 -6.481 7.747 1.00 53.15 H new ATOM 0 HD12 ILE A 65 -2.528 -5.672 8.689 1.00 53.15 H new ATOM 0 HD13 ILE A 65 -4.052 -6.143 9.477 1.00 53.15 H new ATOM 1055 N GLU A 66 -5.309 -0.600 10.708 1.00 4.31 N ATOM 1056 CA GLU A 66 -5.145 0.353 11.815 1.00 33.30 C ATOM 1057 C GLU A 66 -5.691 -0.224 13.133 1.00 64.04 C ATOM 1058 O GLU A 66 -6.830 -0.703 13.189 1.00 61.53 O ATOM 1059 CB GLU A 66 -5.836 1.687 11.484 1.00 32.41 C ATOM 1060 CG GLU A 66 -7.323 1.567 11.157 1.00 73.53 C ATOM 1061 CD GLU A 66 -7.964 2.913 10.859 1.00 40.51 C ATOM 1062 OE1 GLU A 66 -7.932 3.350 9.691 1.00 13.25 O ATOM 1063 OE2 GLU A 66 -8.486 3.555 11.799 1.00 51.02 O ATOM 0 H GLU A 66 -6.254 -0.970 10.609 1.00 4.31 H new ATOM 0 HA GLU A 66 -4.078 0.535 11.945 1.00 33.30 H new ATOM 0 HB2 GLU A 66 -5.717 2.363 12.331 1.00 32.41 H new ATOM 0 HB3 GLU A 66 -5.326 2.145 10.636 1.00 32.41 H new ATOM 0 HG2 GLU A 66 -7.451 0.909 10.297 1.00 73.53 H new ATOM 0 HG3 GLU A 66 -7.840 1.100 11.995 1.00 73.53 H new ATOM 1070 N ASP A 67 -4.851 -0.194 14.181 1.00 72.03 N ATOM 1071 CA ASP A 67 -5.197 -0.722 15.519 1.00 62.52 C ATOM 1072 C ASP A 67 -5.259 -2.262 15.541 1.00 32.54 C ATOM 1073 O ASP A 67 -4.636 -2.916 16.380 1.00 75.35 O ATOM 1074 CB ASP A 67 -6.535 -0.137 16.009 1.00 54.42 C ATOM 1075 CG ASP A 67 -6.951 -0.683 17.367 1.00 31.21 C ATOM 1076 OD1 ASP A 67 -6.347 -0.281 18.381 1.00 52.11 O ATOM 1077 OD2 ASP A 67 -7.872 -1.527 17.420 1.00 55.34 O ATOM 0 H ASP A 67 -3.910 0.197 14.128 1.00 72.03 H new ATOM 0 HA ASP A 67 -4.400 -0.412 16.195 1.00 62.52 H new ATOM 0 HB2 ASP A 67 -6.453 0.948 16.068 1.00 54.42 H new ATOM 0 HB3 ASP A 67 -7.313 -0.359 15.279 1.00 54.42 H new ATOM 1082 N SER A 68 -6.001 -2.818 14.594 1.00 70.35 N ATOM 1083 CA SER A 68 -6.320 -4.249 14.538 1.00 11.21 C ATOM 1084 C SER A 68 -7.322 -4.511 13.407 1.00 72.41 C ATOM 1085 O SER A 68 -7.408 -5.618 12.878 1.00 71.11 O ATOM 1086 CB SER A 68 -6.920 -4.734 15.869 1.00 53.11 C ATOM 1087 OG SER A 68 -7.294 -6.104 15.807 1.00 62.42 O ATOM 0 H SER A 68 -6.408 -2.283 13.827 1.00 70.35 H new ATOM 0 HA SER A 68 -5.396 -4.796 14.352 1.00 11.21 H new ATOM 0 HB2 SER A 68 -6.194 -4.590 16.669 1.00 53.11 H new ATOM 0 HB3 SER A 68 -7.792 -4.129 16.117 1.00 53.11 H new ATOM 0 HG SER A 68 -7.670 -6.380 16.669 1.00 62.42 H new ATOM 1093 N ILE A 69 -8.078 -3.468 13.047 1.00 40.24 N ATOM 1094 CA ILE A 69 -9.099 -3.559 12.001 1.00 24.44 C ATOM 1095 C ILE A 69 -8.475 -3.555 10.594 1.00 72.41 C ATOM 1096 O ILE A 69 -7.766 -2.614 10.226 1.00 31.30 O ATOM 1097 CB ILE A 69 -10.097 -2.377 12.101 1.00 73.25 C ATOM 1098 CG1 ILE A 69 -10.625 -2.233 13.537 1.00 42.14 C ATOM 1099 CG2 ILE A 69 -11.254 -2.557 11.115 1.00 64.24 C ATOM 1100 CD1 ILE A 69 -11.335 -3.461 14.068 1.00 54.22 C ATOM 0 H ILE A 69 -7.999 -2.543 13.470 1.00 40.24 H new ATOM 0 HA ILE A 69 -9.622 -4.503 12.155 1.00 24.44 H new ATOM 0 HB ILE A 69 -9.567 -1.462 11.838 1.00 73.25 H new ATOM 0 HG12 ILE A 69 -9.790 -1.997 14.196 1.00 42.14 H new ATOM 0 HG13 ILE A 69 -11.310 -1.386 13.576 1.00 42.14 H new ATOM 0 HG21 ILE A 69 -11.941 -1.716 11.203 1.00 64.24 H new ATOM 0 HG22 ILE A 69 -10.862 -2.601 10.099 1.00 64.24 H new ATOM 0 HG23 ILE A 69 -11.783 -3.483 11.340 1.00 64.24 H new ATOM 0 HD11 ILE A 69 -11.675 -3.273 15.086 1.00 54.22 H new ATOM 0 HD12 ILE A 69 -12.193 -3.687 13.435 1.00 54.22 H new ATOM 0 HD13 ILE A 69 -10.649 -4.308 14.065 1.00 54.22 H new ATOM 1112 N PRO A 70 -8.720 -4.610 9.792 1.00 33.55 N ATOM 1113 CA PRO A 70 -8.284 -4.649 8.390 1.00 45.42 C ATOM 1114 C PRO A 70 -9.200 -3.811 7.478 1.00 32.44 C ATOM 1115 O PRO A 70 -10.287 -4.250 7.086 1.00 33.11 O ATOM 1116 CB PRO A 70 -8.367 -6.142 8.047 1.00 30.30 C ATOM 1117 CG PRO A 70 -9.461 -6.669 8.920 1.00 23.15 C ATOM 1118 CD PRO A 70 -9.424 -5.847 10.189 1.00 64.54 C ATOM 0 HA PRO A 70 -7.290 -4.226 8.244 1.00 45.42 H new ATOM 0 HB2 PRO A 70 -8.594 -6.294 6.992 1.00 30.30 H new ATOM 0 HB3 PRO A 70 -7.422 -6.648 8.246 1.00 30.30 H new ATOM 0 HG2 PRO A 70 -10.429 -6.580 8.427 1.00 23.15 H new ATOM 0 HG3 PRO A 70 -9.310 -7.726 9.137 1.00 23.15 H new ATOM 0 HD2 PRO A 70 -10.428 -5.635 10.557 1.00 64.54 H new ATOM 0 HD3 PRO A 70 -8.896 -6.368 10.987 1.00 64.54 H new ATOM 1126 N VAL A 71 -8.769 -2.594 7.157 1.00 15.03 N ATOM 1127 CA VAL A 71 -9.588 -1.670 6.369 1.00 74.41 C ATOM 1128 C VAL A 71 -9.566 -2.036 4.874 1.00 23.10 C ATOM 1129 O VAL A 71 -8.597 -1.761 4.162 1.00 43.30 O ATOM 1130 CB VAL A 71 -9.118 -0.206 6.558 1.00 4.24 C ATOM 1131 CG1 VAL A 71 -10.083 0.766 5.881 1.00 61.52 C ATOM 1132 CG2 VAL A 71 -8.961 0.123 8.042 1.00 4.24 C ATOM 0 H VAL A 71 -7.859 -2.223 7.429 1.00 15.03 H new ATOM 0 HA VAL A 71 -10.612 -1.759 6.732 1.00 74.41 H new ATOM 0 HB VAL A 71 -8.143 -0.096 6.082 1.00 4.24 H new ATOM 0 HG11 VAL A 71 -9.732 1.788 6.027 1.00 61.52 H new ATOM 0 HG12 VAL A 71 -10.130 0.548 4.814 1.00 61.52 H new ATOM 0 HG13 VAL A 71 -11.076 0.657 6.318 1.00 61.52 H new ATOM 0 HG21 VAL A 71 -8.630 1.156 8.153 1.00 4.24 H new ATOM 0 HG22 VAL A 71 -9.918 -0.008 8.547 1.00 4.24 H new ATOM 0 HG23 VAL A 71 -8.222 -0.544 8.486 1.00 4.24 H new ATOM 1142 N LEU A 72 -10.644 -2.662 4.404 1.00 31.12 N ATOM 1143 CA LEU A 72 -10.738 -3.119 3.013 1.00 12.42 C ATOM 1144 C LEU A 72 -11.503 -2.121 2.127 1.00 51.32 C ATOM 1145 O LEU A 72 -12.058 -2.494 1.091 1.00 0.14 O ATOM 1146 CB LEU A 72 -11.422 -4.493 2.963 1.00 74.45 C ATOM 1147 CG LEU A 72 -10.721 -5.607 3.759 1.00 31.01 C ATOM 1148 CD1 LEU A 72 -11.499 -6.918 3.654 1.00 14.13 C ATOM 1149 CD2 LEU A 72 -9.283 -5.789 3.280 1.00 74.20 C ATOM 0 H LEU A 72 -11.470 -2.866 4.967 1.00 31.12 H new ATOM 0 HA LEU A 72 -9.724 -3.195 2.621 1.00 12.42 H new ATOM 0 HB2 LEU A 72 -12.440 -4.387 3.338 1.00 74.45 H new ATOM 0 HB3 LEU A 72 -11.497 -4.805 1.921 1.00 74.45 H new ATOM 0 HG LEU A 72 -10.694 -5.312 4.808 1.00 31.01 H new ATOM 0 HD11 LEU A 72 -10.986 -7.692 4.224 1.00 14.13 H new ATOM 0 HD12 LEU A 72 -12.503 -6.778 4.054 1.00 14.13 H new ATOM 0 HD13 LEU A 72 -11.564 -7.220 2.609 1.00 14.13 H new ATOM 0 HD21 LEU A 72 -8.805 -6.582 3.856 1.00 74.20 H new ATOM 0 HD22 LEU A 72 -9.283 -6.057 2.224 1.00 74.20 H new ATOM 0 HD23 LEU A 72 -8.733 -4.858 3.418 1.00 74.20 H new ATOM 1161 N LEU A 73 -11.514 -0.854 2.528 1.00 72.23 N ATOM 1162 CA LEU A 73 -12.171 0.198 1.743 1.00 55.32 C ATOM 1163 C LEU A 73 -11.383 0.502 0.455 1.00 71.24 C ATOM 1164 O LEU A 73 -10.155 0.572 0.478 1.00 4.44 O ATOM 1165 CB LEU A 73 -12.305 1.480 2.587 1.00 1.20 C ATOM 1166 CG LEU A 73 -13.164 1.347 3.857 1.00 75.54 C ATOM 1167 CD1 LEU A 73 -13.142 2.648 4.658 1.00 45.55 C ATOM 1168 CD2 LEU A 73 -14.597 0.952 3.503 1.00 34.05 C ATOM 0 H LEU A 73 -11.078 -0.526 3.390 1.00 72.23 H new ATOM 0 HA LEU A 73 -13.163 -0.158 1.463 1.00 55.32 H new ATOM 0 HB2 LEU A 73 -11.307 1.810 2.876 1.00 1.20 H new ATOM 0 HB3 LEU A 73 -12.731 2.264 1.961 1.00 1.20 H new ATOM 0 HG LEU A 73 -12.739 0.557 4.476 1.00 75.54 H new ATOM 0 HD11 LEU A 73 -13.755 2.535 5.552 1.00 45.55 H new ATOM 0 HD12 LEU A 73 -12.117 2.880 4.947 1.00 45.55 H new ATOM 0 HD13 LEU A 73 -13.539 3.459 4.046 1.00 45.55 H new ATOM 0 HD21 LEU A 73 -15.186 0.864 4.416 1.00 34.05 H new ATOM 0 HD22 LEU A 73 -15.036 1.715 2.860 1.00 34.05 H new ATOM 0 HD23 LEU A 73 -14.592 -0.005 2.980 1.00 34.05 H new ATOM 1180 N PRO A 74 -12.076 0.699 -0.686 1.00 44.12 N ATOM 1181 CA PRO A 74 -11.418 1.008 -1.970 1.00 41.40 C ATOM 1182 C PRO A 74 -10.466 2.215 -1.870 1.00 23.54 C ATOM 1183 O PRO A 74 -9.336 2.163 -2.350 1.00 23.51 O ATOM 1184 CB PRO A 74 -12.591 1.304 -2.928 1.00 51.12 C ATOM 1185 CG PRO A 74 -13.787 1.479 -2.048 1.00 3.20 C ATOM 1186 CD PRO A 74 -13.536 0.629 -0.832 1.00 61.23 C ATOM 0 HA PRO A 74 -10.787 0.186 -2.307 1.00 41.40 H new ATOM 0 HB2 PRO A 74 -12.401 2.202 -3.516 1.00 51.12 H new ATOM 0 HB3 PRO A 74 -12.738 0.486 -3.633 1.00 51.12 H new ATOM 0 HG2 PRO A 74 -13.919 2.525 -1.772 1.00 3.20 H new ATOM 0 HG3 PRO A 74 -14.697 1.168 -2.560 1.00 3.20 H new ATOM 0 HD2 PRO A 74 -14.050 1.018 0.047 1.00 61.23 H new ATOM 0 HD3 PRO A 74 -13.880 -0.395 -0.976 1.00 61.23 H new ATOM 1194 N GLU A 75 -10.925 3.287 -1.223 1.00 4.15 N ATOM 1195 CA GLU A 75 -10.103 4.492 -1.025 1.00 65.44 C ATOM 1196 C GLU A 75 -8.849 4.205 -0.174 1.00 1.41 C ATOM 1197 O GLU A 75 -7.876 4.958 -0.215 1.00 34.40 O ATOM 1198 CB GLU A 75 -10.934 5.595 -0.357 1.00 22.24 C ATOM 1199 CG GLU A 75 -11.498 5.198 1.005 1.00 54.21 C ATOM 1200 CD GLU A 75 -12.241 6.336 1.685 1.00 40.42 C ATOM 1201 OE1 GLU A 75 -13.448 6.510 1.425 1.00 31.11 O ATOM 1202 OE2 GLU A 75 -11.618 7.068 2.485 1.00 4.22 O ATOM 0 H GLU A 75 -11.862 3.350 -0.825 1.00 4.15 H new ATOM 0 HA GLU A 75 -9.771 4.822 -2.010 1.00 65.44 H new ATOM 0 HB2 GLU A 75 -10.314 6.484 -0.239 1.00 22.24 H new ATOM 0 HB3 GLU A 75 -11.758 5.867 -1.017 1.00 22.24 H new ATOM 0 HG2 GLU A 75 -12.173 4.351 0.882 1.00 54.21 H new ATOM 0 HG3 GLU A 75 -10.683 4.865 1.648 1.00 54.21 H new ATOM 1209 N GLU A 76 -8.890 3.117 0.594 1.00 55.03 N ATOM 1210 CA GLU A 76 -7.775 2.721 1.467 1.00 23.12 C ATOM 1211 C GLU A 76 -6.712 1.917 0.691 1.00 1.33 C ATOM 1212 O GLU A 76 -5.598 1.707 1.170 1.00 61.50 O ATOM 1213 CB GLU A 76 -8.319 1.882 2.644 1.00 64.53 C ATOM 1214 CG GLU A 76 -7.275 1.472 3.685 1.00 42.11 C ATOM 1215 CD GLU A 76 -6.803 2.629 4.556 1.00 32.24 C ATOM 1216 OE1 GLU A 76 -5.914 3.384 4.123 1.00 12.12 O ATOM 1217 OE2 GLU A 76 -7.317 2.785 5.684 1.00 4.44 O ATOM 0 H GLU A 76 -9.690 2.485 0.632 1.00 55.03 H new ATOM 0 HA GLU A 76 -7.297 3.624 1.847 1.00 23.12 H new ATOM 0 HB2 GLU A 76 -9.104 2.451 3.143 1.00 64.53 H new ATOM 0 HB3 GLU A 76 -8.784 0.981 2.244 1.00 64.53 H new ATOM 0 HG2 GLU A 76 -7.695 0.694 4.323 1.00 42.11 H new ATOM 0 HG3 GLU A 76 -6.416 1.037 3.175 1.00 42.11 H new ATOM 1224 N ALA A 77 -7.070 1.480 -0.515 1.00 40.12 N ATOM 1225 CA ALA A 77 -6.196 0.628 -1.328 1.00 63.21 C ATOM 1226 C ALA A 77 -5.119 1.427 -2.086 1.00 61.33 C ATOM 1227 O ALA A 77 -5.426 2.327 -2.871 1.00 14.51 O ATOM 1228 CB ALA A 77 -7.031 -0.188 -2.309 1.00 65.23 C ATOM 0 H ALA A 77 -7.963 1.702 -0.955 1.00 40.12 H new ATOM 0 HA ALA A 77 -5.672 -0.038 -0.643 1.00 63.21 H new ATOM 0 HB1 ALA A 77 -6.375 -0.818 -2.909 1.00 65.23 H new ATOM 0 HB2 ALA A 77 -7.731 -0.815 -1.757 1.00 65.23 H new ATOM 0 HB3 ALA A 77 -7.585 0.485 -2.963 1.00 65.23 H new ATOM 1234 N ILE A 78 -3.859 1.091 -1.826 1.00 32.42 N ATOM 1235 CA ILE A 78 -2.725 1.631 -2.581 1.00 64.20 C ATOM 1236 C ILE A 78 -2.483 0.802 -3.858 1.00 25.20 C ATOM 1237 O ILE A 78 -2.422 -0.428 -3.807 1.00 24.00 O ATOM 1238 CB ILE A 78 -1.420 1.633 -1.732 1.00 0.34 C ATOM 1239 CG1 ILE A 78 -1.540 2.581 -0.521 1.00 35.40 C ATOM 1240 CG2 ILE A 78 -0.210 2.013 -2.595 1.00 10.02 C ATOM 1241 CD1 ILE A 78 -2.464 2.086 0.579 1.00 4.21 C ATOM 0 H ILE A 78 -3.592 0.439 -1.089 1.00 32.42 H new ATOM 0 HA ILE A 78 -2.976 2.658 -2.845 1.00 64.20 H new ATOM 0 HB ILE A 78 -1.271 0.622 -1.353 1.00 0.34 H new ATOM 0 HG12 ILE A 78 -0.547 2.739 -0.100 1.00 35.40 H new ATOM 0 HG13 ILE A 78 -1.897 3.550 -0.869 1.00 35.40 H new ATOM 0 HG21 ILE A 78 0.691 2.008 -1.981 1.00 10.02 H new ATOM 0 HG22 ILE A 78 -0.101 1.293 -3.406 1.00 10.02 H new ATOM 0 HG23 ILE A 78 -0.359 3.009 -3.012 1.00 10.02 H new ATOM 0 HD11 ILE A 78 -2.488 2.814 1.389 1.00 4.21 H new ATOM 0 HD12 ILE A 78 -3.469 1.956 0.179 1.00 4.21 H new ATOM 0 HD13 ILE A 78 -2.099 1.132 0.959 1.00 4.21 H new ATOM 1253 N ALA A 79 -2.336 1.478 -4.997 1.00 31.42 N ATOM 1254 CA ALA A 79 -2.102 0.800 -6.277 1.00 34.03 C ATOM 1255 C ALA A 79 -0.615 0.437 -6.464 1.00 63.32 C ATOM 1256 O ALA A 79 0.239 1.319 -6.567 1.00 22.23 O ATOM 1257 CB ALA A 79 -2.581 1.683 -7.425 1.00 34.12 C ATOM 0 H ALA A 79 -2.374 2.495 -5.062 1.00 31.42 H new ATOM 0 HA ALA A 79 -2.669 -0.131 -6.275 1.00 34.03 H new ATOM 0 HB1 ALA A 79 -2.405 1.175 -8.373 1.00 34.12 H new ATOM 0 HB2 ALA A 79 -3.647 1.881 -7.312 1.00 34.12 H new ATOM 0 HB3 ALA A 79 -2.034 2.626 -7.412 1.00 34.12 H new ATOM 1263 N THR A 80 -0.314 -0.864 -6.531 1.00 13.41 N ATOM 1264 CA THR A 80 1.076 -1.333 -6.690 1.00 62.55 C ATOM 1265 C THR A 80 1.710 -0.819 -7.986 1.00 53.55 C ATOM 1266 O THR A 80 2.933 -0.716 -8.092 1.00 64.12 O ATOM 1267 CB THR A 80 1.174 -2.873 -6.691 1.00 23.11 C ATOM 1268 OG1 THR A 80 0.428 -3.407 -7.793 1.00 60.32 O ATOM 1269 CG2 THR A 80 0.655 -3.464 -5.382 1.00 14.41 C ATOM 0 H THR A 80 -1.006 -1.611 -6.478 1.00 13.41 H new ATOM 0 HA THR A 80 1.616 -0.933 -5.832 1.00 62.55 H new ATOM 0 HB THR A 80 2.225 -3.144 -6.793 1.00 23.11 H new ATOM 0 HG1 THR A 80 0.452 -4.386 -7.760 1.00 60.32 H new ATOM 0 HG21 THR A 80 0.738 -4.550 -5.415 1.00 14.41 H new ATOM 0 HG22 THR A 80 1.246 -3.080 -4.550 1.00 14.41 H new ATOM 0 HG23 THR A 80 -0.389 -3.184 -5.245 1.00 14.41 H new ATOM 1277 N ILE A 81 0.871 -0.474 -8.960 1.00 61.23 N ATOM 1278 CA ILE A 81 1.336 0.033 -10.254 1.00 11.24 C ATOM 1279 C ILE A 81 2.154 1.332 -10.094 1.00 1.44 C ATOM 1280 O ILE A 81 2.938 1.698 -10.967 1.00 31.21 O ATOM 1281 CB ILE A 81 0.131 0.284 -11.203 1.00 1.24 C ATOM 1282 CG1 ILE A 81 0.603 0.634 -12.626 1.00 21.21 C ATOM 1283 CG2 ILE A 81 -0.773 1.384 -10.652 1.00 4.21 C ATOM 1284 CD1 ILE A 81 1.392 -0.472 -13.295 1.00 72.24 C ATOM 0 H ILE A 81 -0.144 -0.536 -8.878 1.00 61.23 H new ATOM 0 HA ILE A 81 1.986 -0.726 -10.689 1.00 11.24 H new ATOM 0 HB ILE A 81 -0.445 -0.640 -11.258 1.00 1.24 H new ATOM 0 HG12 ILE A 81 -0.266 0.870 -13.240 1.00 21.21 H new ATOM 0 HG13 ILE A 81 1.218 1.533 -12.584 1.00 21.21 H new ATOM 0 HG21 ILE A 81 -1.609 1.542 -11.333 1.00 4.21 H new ATOM 0 HG22 ILE A 81 -1.152 1.088 -9.674 1.00 4.21 H new ATOM 0 HG23 ILE A 81 -0.204 2.308 -10.555 1.00 4.21 H new ATOM 0 HD11 ILE A 81 1.691 -0.153 -14.294 1.00 72.24 H new ATOM 0 HD12 ILE A 81 2.281 -0.694 -12.704 1.00 72.24 H new ATOM 0 HD13 ILE A 81 0.773 -1.366 -13.369 1.00 72.24 H new ATOM 1296 N GLN A 82 1.971 2.014 -8.964 1.00 51.03 N ATOM 1297 CA GLN A 82 2.683 3.270 -8.687 1.00 53.43 C ATOM 1298 C GLN A 82 3.948 3.041 -7.842 1.00 34.21 C ATOM 1299 O GLN A 82 4.811 3.918 -7.746 1.00 61.11 O ATOM 1300 CB GLN A 82 1.745 4.238 -7.960 1.00 51.02 C ATOM 1301 CG GLN A 82 0.460 4.538 -8.722 1.00 14.34 C ATOM 1302 CD GLN A 82 -0.505 5.398 -7.933 1.00 32.22 C ATOM 1303 OE1 GLN A 82 -0.533 5.352 -6.708 1.00 51.11 O ATOM 1304 NE2 GLN A 82 -1.301 6.189 -8.621 1.00 2.43 N ATOM 0 H GLN A 82 1.336 1.721 -8.222 1.00 51.03 H new ATOM 0 HA GLN A 82 2.996 3.694 -9.641 1.00 53.43 H new ATOM 0 HB2 GLN A 82 1.490 3.820 -6.986 1.00 51.02 H new ATOM 0 HB3 GLN A 82 2.274 5.173 -7.776 1.00 51.02 H new ATOM 0 HG2 GLN A 82 0.707 5.041 -9.657 1.00 14.34 H new ATOM 0 HG3 GLN A 82 -0.028 3.600 -8.985 1.00 14.34 H new ATOM 0 HE21 GLN A 82 -1.251 6.202 -9.640 1.00 2.43 H new ATOM 0 HE22 GLN A 82 -1.968 6.789 -8.135 1.00 2.43 H new ATOM 1313 N ILE A 83 4.063 1.861 -7.233 1.00 53.42 N ATOM 1314 CA ILE A 83 5.180 1.562 -6.337 1.00 74.50 C ATOM 1315 C ILE A 83 6.460 1.229 -7.123 1.00 43.40 C ATOM 1316 O ILE A 83 6.683 0.088 -7.530 1.00 14.21 O ATOM 1317 CB ILE A 83 4.839 0.389 -5.377 1.00 74.40 C ATOM 1318 CG1 ILE A 83 3.523 0.669 -4.627 1.00 60.33 C ATOM 1319 CG2 ILE A 83 5.978 0.148 -4.384 1.00 45.32 C ATOM 1320 CD1 ILE A 83 3.543 1.937 -3.795 1.00 13.31 C ATOM 0 H ILE A 83 3.397 1.097 -7.344 1.00 53.42 H new ATOM 0 HA ILE A 83 5.357 2.460 -5.745 1.00 74.50 H new ATOM 0 HB ILE A 83 4.712 -0.513 -5.976 1.00 74.40 H new ATOM 0 HG12 ILE A 83 2.711 0.735 -5.351 1.00 60.33 H new ATOM 0 HG13 ILE A 83 3.301 -0.177 -3.976 1.00 60.33 H new ATOM 0 HG21 ILE A 83 5.716 -0.678 -3.723 1.00 45.32 H new ATOM 0 HG22 ILE A 83 6.889 -0.099 -4.929 1.00 45.32 H new ATOM 0 HG23 ILE A 83 6.141 1.049 -3.792 1.00 45.32 H new ATOM 0 HD11 ILE A 83 2.580 2.062 -3.299 1.00 13.31 H new ATOM 0 HD12 ILE A 83 4.331 1.868 -3.045 1.00 13.31 H new ATOM 0 HD13 ILE A 83 3.732 2.794 -4.442 1.00 13.31 H new ATOM 1332 N ALA A 84 7.300 2.240 -7.339 1.00 44.13 N ATOM 1333 CA ALA A 84 8.562 2.063 -8.065 1.00 35.14 C ATOM 1334 C ALA A 84 9.532 1.113 -7.336 1.00 42.35 C ATOM 1335 O ALA A 84 10.477 0.594 -7.934 1.00 14.43 O ATOM 1336 CB ALA A 84 9.219 3.415 -8.290 1.00 4.31 C ATOM 0 H ALA A 84 7.131 3.194 -7.021 1.00 44.13 H new ATOM 0 HA ALA A 84 8.327 1.602 -9.024 1.00 35.14 H new ATOM 0 HB1 ALA A 84 10.156 3.279 -8.830 1.00 4.31 H new ATOM 0 HB2 ALA A 84 8.553 4.050 -8.874 1.00 4.31 H new ATOM 0 HB3 ALA A 84 9.419 3.887 -7.328 1.00 4.31 H new ATOM 1342 N ASN A 85 9.295 0.889 -6.044 1.00 32.24 N ATOM 1343 CA ASN A 85 10.147 0.001 -5.240 1.00 73.11 C ATOM 1344 C ASN A 85 9.655 -1.458 -5.270 1.00 41.42 C ATOM 1345 O ASN A 85 10.173 -2.309 -4.543 1.00 3.01 O ATOM 1346 CB ASN A 85 10.209 0.495 -3.789 1.00 64.52 C ATOM 1347 CG ASN A 85 10.809 1.883 -3.676 1.00 64.03 C ATOM 1348 OD1 ASN A 85 12.024 2.042 -3.604 1.00 45.43 O ATOM 1349 ND2 ASN A 85 9.971 2.898 -3.639 1.00 41.11 N ATOM 0 H ASN A 85 8.521 1.308 -5.528 1.00 32.24 H new ATOM 0 HA ASN A 85 11.144 0.026 -5.680 1.00 73.11 H new ATOM 0 HB2 ASN A 85 9.204 0.501 -3.367 1.00 64.52 H new ATOM 0 HB3 ASN A 85 10.800 -0.203 -3.195 1.00 64.52 H new ATOM 0 HD21 ASN A 85 10.326 3.850 -3.548 1.00 41.11 H new ATOM 0 HD22 ASN A 85 8.966 2.732 -3.701 1.00 41.11 H new ATOM 1356 N PHE A 86 8.666 -1.743 -6.118 1.00 54.34 N ATOM 1357 CA PHE A 86 8.104 -3.096 -6.220 1.00 44.42 C ATOM 1358 C PHE A 86 9.164 -4.084 -6.760 1.00 74.04 C ATOM 1359 O PHE A 86 9.925 -3.746 -7.668 1.00 33.41 O ATOM 1360 CB PHE A 86 6.845 -3.080 -7.114 1.00 72.12 C ATOM 1361 CG PHE A 86 5.728 -3.958 -6.602 1.00 5.05 C ATOM 1362 CD1 PHE A 86 5.182 -3.733 -5.345 1.00 50.02 C ATOM 1363 CD2 PHE A 86 5.226 -5.001 -7.369 1.00 62.44 C ATOM 1364 CE1 PHE A 86 4.160 -4.531 -4.865 1.00 41.42 C ATOM 1365 CE2 PHE A 86 4.203 -5.800 -6.893 1.00 0.34 C ATOM 1366 CZ PHE A 86 3.672 -5.566 -5.639 1.00 24.44 C ATOM 0 H PHE A 86 8.237 -1.060 -6.743 1.00 54.34 H new ATOM 0 HA PHE A 86 7.811 -3.435 -5.226 1.00 44.42 H new ATOM 0 HB2 PHE A 86 6.482 -2.056 -7.197 1.00 72.12 H new ATOM 0 HB3 PHE A 86 7.119 -3.403 -8.118 1.00 72.12 H new ATOM 0 HD1 PHE A 86 5.560 -2.926 -4.736 1.00 50.02 H new ATOM 0 HD2 PHE A 86 5.639 -5.190 -8.349 1.00 62.44 H new ATOM 0 HE1 PHE A 86 3.744 -4.345 -3.886 1.00 41.42 H new ATOM 0 HE2 PHE A 86 3.819 -6.606 -7.501 1.00 0.34 H new ATOM 0 HZ PHE A 86 2.876 -6.192 -5.264 1.00 24.44 H new