USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 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 Single : A 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0662) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -116:sc= 0.915 USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0343) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0355 K(o=-0.036,f=-1.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -170:sc= 0.581 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc=-0.00547 X(o=-0.0055,f=-0.36) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.684 X(o=-0.68,f=-0.62) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.29 USER MOD ----------------------------------------------------------------- ATOM 273 N ARG A 18 -7.094 -9.355 -1.225 1.00 62.21 N ATOM 274 CA ARG A 18 -6.521 -9.643 0.102 1.00 23.44 C ATOM 275 C ARG A 18 -6.233 -8.370 0.926 1.00 33.14 C ATOM 276 O ARG A 18 -5.788 -7.347 0.399 1.00 35.14 O ATOM 277 CB ARG A 18 -5.258 -10.505 -0.047 1.00 32.40 C ATOM 278 CG ARG A 18 -4.210 -9.908 -0.977 1.00 45.11 C ATOM 279 CD ARG A 18 -3.098 -10.898 -1.306 1.00 34.33 C ATOM 280 NE ARG A 18 -2.343 -11.313 -0.129 1.00 62.43 N ATOM 281 CZ ARG A 18 -1.117 -11.759 -0.170 1.00 65.03 C ATOM 282 NH1 ARG A 18 -0.471 -11.826 -1.293 1.00 12.13 N ATOM 283 NH2 ARG A 18 -0.530 -12.125 0.916 1.00 73.13 N ATOM 0 HA ARG A 18 -7.272 -10.199 0.663 1.00 23.44 H new ATOM 0 HB2 ARG A 18 -4.814 -10.654 0.937 1.00 32.40 H new ATOM 0 HB3 ARG A 18 -5.543 -11.489 -0.421 1.00 32.40 H new ATOM 0 HG2 ARG A 18 -4.689 -9.583 -1.900 1.00 45.11 H new ATOM 0 HG3 ARG A 18 -3.778 -9.021 -0.513 1.00 45.11 H new ATOM 0 HD2 ARG A 18 -3.530 -11.777 -1.783 1.00 34.33 H new ATOM 0 HD3 ARG A 18 -2.417 -10.446 -2.028 1.00 34.33 H new ATOM 0 HE ARG A 18 -2.800 -11.251 0.781 1.00 62.43 H new ATOM 0 HH11 ARG A 18 -0.921 -11.528 -2.159 1.00 12.13 H new ATOM 0 HH12 ARG A 18 0.487 -12.177 -1.310 1.00 12.13 H new ATOM 0 HH21 ARG A 18 -1.023 -12.066 1.807 1.00 73.13 H new ATOM 0 HH22 ARG A 18 0.428 -12.474 0.885 1.00 73.13 H new ATOM 297 N LYS A 19 -6.509 -8.448 2.227 1.00 63.31 N ATOM 298 CA LYS A 19 -6.390 -7.295 3.131 1.00 51.43 C ATOM 299 C LYS A 19 -5.056 -7.319 3.900 1.00 61.12 C ATOM 300 O LYS A 19 -4.653 -8.355 4.436 1.00 54.52 O ATOM 301 CB LYS A 19 -7.561 -7.296 4.129 1.00 53.22 C ATOM 302 CG LYS A 19 -8.941 -7.311 3.471 1.00 43.44 C ATOM 303 CD LYS A 19 -10.057 -7.472 4.504 1.00 14.30 C ATOM 304 CE LYS A 19 -11.447 -7.470 3.864 1.00 32.51 C ATOM 305 NZ LYS A 19 -11.639 -8.587 2.897 1.00 4.13 N ATOM 0 H LYS A 19 -6.820 -9.304 2.686 1.00 63.31 H new ATOM 0 HA LYS A 19 -6.417 -6.388 2.527 1.00 51.43 H new ATOM 0 HB2 LYS A 19 -7.470 -8.167 4.778 1.00 53.22 H new ATOM 0 HB3 LYS A 19 -7.483 -6.414 4.765 1.00 53.22 H new ATOM 0 HG2 LYS A 19 -9.090 -6.385 2.916 1.00 43.44 H new ATOM 0 HG3 LYS A 19 -8.992 -8.127 2.750 1.00 43.44 H new ATOM 0 HD2 LYS A 19 -9.912 -8.405 5.049 1.00 14.30 H new ATOM 0 HD3 LYS A 19 -9.994 -6.664 5.232 1.00 14.30 H new ATOM 0 HE2 LYS A 19 -12.202 -7.539 4.647 1.00 32.51 H new ATOM 0 HE3 LYS A 19 -11.605 -6.521 3.352 1.00 32.51 H new ATOM 0 HZ1 LYS A 19 -12.631 -8.609 2.584 1.00 4.13 H new ATOM 0 HZ2 LYS A 19 -11.019 -8.444 2.074 1.00 4.13 H new ATOM 0 HZ3 LYS A 19 -11.401 -9.489 3.357 1.00 4.13 H new ATOM 319 N VAL A 20 -4.377 -6.172 3.963 1.00 3.34 N ATOM 320 CA VAL A 20 -3.097 -6.067 4.678 1.00 70.42 C ATOM 321 C VAL A 20 -3.039 -4.823 5.587 1.00 50.24 C ATOM 322 O VAL A 20 -3.519 -3.750 5.225 1.00 41.24 O ATOM 323 CB VAL A 20 -1.893 -6.036 3.696 1.00 33.54 C ATOM 324 CG1 VAL A 20 -1.754 -7.367 2.962 1.00 64.15 C ATOM 325 CG2 VAL A 20 -2.025 -4.880 2.704 1.00 42.34 C ATOM 0 H VAL A 20 -4.689 -5.303 3.530 1.00 3.34 H new ATOM 0 HA VAL A 20 -3.028 -6.958 5.302 1.00 70.42 H new ATOM 0 HB VAL A 20 -0.987 -5.876 4.281 1.00 33.54 H new ATOM 0 HG11 VAL A 20 -0.904 -7.320 2.281 1.00 64.15 H new ATOM 0 HG12 VAL A 20 -1.595 -8.167 3.685 1.00 64.15 H new ATOM 0 HG13 VAL A 20 -2.663 -7.566 2.395 1.00 64.15 H new ATOM 0 HG21 VAL A 20 -1.170 -4.881 2.028 1.00 42.34 H new ATOM 0 HG22 VAL A 20 -2.943 -4.998 2.128 1.00 42.34 H new ATOM 0 HG23 VAL A 20 -2.057 -3.936 3.248 1.00 42.34 H new ATOM 335 N ARG A 21 -2.451 -4.975 6.771 1.00 63.33 N ATOM 336 CA ARG A 21 -2.296 -3.863 7.715 1.00 12.51 C ATOM 337 C ARG A 21 -0.893 -3.246 7.614 1.00 23.13 C ATOM 338 O ARG A 21 0.113 -3.952 7.717 1.00 1.13 O ATOM 339 CB ARG A 21 -2.541 -4.342 9.155 1.00 41.44 C ATOM 340 CG ARG A 21 -2.424 -3.231 10.198 1.00 45.42 C ATOM 341 CD ARG A 21 -2.528 -3.763 11.624 1.00 44.13 C ATOM 342 NE ARG A 21 -2.406 -2.691 12.614 1.00 51.03 N ATOM 343 CZ ARG A 21 -1.415 -2.573 13.460 1.00 11.10 C ATOM 344 NH1 ARG A 21 -0.462 -3.449 13.493 1.00 75.40 N ATOM 345 NH2 ARG A 21 -1.389 -1.579 14.287 1.00 12.41 N ATOM 0 H ARG A 21 -2.071 -5.861 7.104 1.00 63.33 H new ATOM 0 HA ARG A 21 -3.033 -3.103 7.456 1.00 12.51 H new ATOM 0 HB2 ARG A 21 -3.535 -4.784 9.218 1.00 41.44 H new ATOM 0 HB3 ARG A 21 -1.826 -5.130 9.394 1.00 41.44 H new ATOM 0 HG2 ARG A 21 -1.471 -2.717 10.073 1.00 45.42 H new ATOM 0 HG3 ARG A 21 -3.209 -2.493 10.030 1.00 45.42 H new ATOM 0 HD2 ARG A 21 -3.484 -4.271 11.754 1.00 44.13 H new ATOM 0 HD3 ARG A 21 -1.747 -4.505 11.793 1.00 44.13 H new ATOM 0 HE ARG A 21 -3.144 -1.988 12.646 1.00 51.03 H new ATOM 0 HH11 ARG A 21 -0.478 -4.244 12.854 1.00 75.40 H new ATOM 0 HH12 ARG A 21 0.304 -3.344 14.158 1.00 75.40 H new ATOM 0 HH21 ARG A 21 -2.140 -0.889 14.279 1.00 12.41 H new ATOM 0 HH22 ARG A 21 -0.617 -1.485 14.947 1.00 12.41 H new ATOM 359 N ALA A 22 -0.827 -1.933 7.416 1.00 24.54 N ATOM 360 CA ALA A 22 0.457 -1.234 7.358 1.00 54.33 C ATOM 361 C ALA A 22 1.017 -0.981 8.764 1.00 41.51 C ATOM 362 O ALA A 22 0.379 -0.324 9.588 1.00 43.03 O ATOM 363 CB ALA A 22 0.302 0.087 6.610 1.00 45.44 C ATOM 0 H ALA A 22 -1.642 -1.332 7.293 1.00 24.54 H new ATOM 0 HA ALA A 22 1.163 -1.869 6.823 1.00 54.33 H new ATOM 0 HB1 ALA A 22 1.264 0.599 6.573 1.00 45.44 H new ATOM 0 HB2 ALA A 22 -0.045 -0.108 5.595 1.00 45.44 H new ATOM 0 HB3 ALA A 22 -0.424 0.715 7.127 1.00 45.44 H new ATOM 369 N ILE A 23 2.213 -1.505 9.035 1.00 75.41 N ATOM 370 CA ILE A 23 2.878 -1.278 10.326 1.00 42.23 C ATOM 371 C ILE A 23 3.763 -0.023 10.281 1.00 35.11 C ATOM 372 O ILE A 23 4.153 0.510 11.322 1.00 70.14 O ATOM 373 CB ILE A 23 3.726 -2.501 10.765 1.00 0.42 C ATOM 374 CG1 ILE A 23 4.803 -2.831 9.716 1.00 72.01 C ATOM 375 CG2 ILE A 23 2.824 -3.710 11.016 1.00 62.33 C ATOM 376 CD1 ILE A 23 5.687 -4.003 10.088 1.00 53.53 C ATOM 0 H ILE A 23 2.741 -2.087 8.385 1.00 75.41 H new ATOM 0 HA ILE A 23 2.088 -1.130 11.062 1.00 42.23 H new ATOM 0 HB ILE A 23 4.234 -2.249 11.696 1.00 0.42 H new ATOM 0 HG12 ILE A 23 4.316 -3.044 8.765 1.00 72.01 H new ATOM 0 HG13 ILE A 23 5.428 -1.951 9.563 1.00 72.01 H new ATOM 0 HG21 ILE A 23 3.433 -4.560 11.323 1.00 62.33 H new ATOM 0 HG22 ILE A 23 2.108 -3.473 11.803 1.00 62.33 H new ATOM 0 HG23 ILE A 23 2.287 -3.960 10.101 1.00 62.33 H new ATOM 0 HD11 ILE A 23 6.419 -4.172 9.298 1.00 53.53 H new ATOM 0 HD12 ILE A 23 6.205 -3.786 11.022 1.00 53.53 H new ATOM 0 HD13 ILE A 23 5.074 -4.896 10.211 1.00 53.53 H new ATOM 388 N TYR A 24 4.080 0.431 9.068 1.00 4.52 N ATOM 389 CA TYR A 24 4.824 1.682 8.860 1.00 64.30 C ATOM 390 C TYR A 24 4.059 2.603 7.894 1.00 61.33 C ATOM 391 O TYR A 24 3.172 2.152 7.170 1.00 55.13 O ATOM 392 CB TYR A 24 6.226 1.397 8.300 1.00 43.20 C ATOM 393 CG TYR A 24 7.067 0.480 9.172 1.00 62.32 C ATOM 394 CD1 TYR A 24 7.333 0.799 10.503 1.00 33.32 C ATOM 395 CD2 TYR A 24 7.589 -0.706 8.668 1.00 52.21 C ATOM 396 CE1 TYR A 24 8.094 -0.036 11.298 1.00 54.52 C ATOM 397 CE2 TYR A 24 8.352 -1.546 9.461 1.00 24.44 C ATOM 398 CZ TYR A 24 8.600 -1.206 10.774 1.00 74.13 C ATOM 399 OH TYR A 24 9.358 -2.040 11.568 1.00 31.12 O ATOM 0 H TYR A 24 3.832 -0.052 8.204 1.00 4.52 H new ATOM 0 HA TYR A 24 4.927 2.178 9.825 1.00 64.30 H new ATOM 0 HB2 TYR A 24 6.127 0.950 7.311 1.00 43.20 H new ATOM 0 HB3 TYR A 24 6.753 2.342 8.171 1.00 43.20 H new ATOM 0 HD1 TYR A 24 6.938 1.714 10.919 1.00 33.32 H new ATOM 0 HD2 TYR A 24 7.396 -0.977 7.640 1.00 52.21 H new ATOM 0 HE1 TYR A 24 8.292 0.227 12.327 1.00 54.52 H new ATOM 0 HE2 TYR A 24 8.751 -2.463 9.053 1.00 24.44 H new ATOM 0 HH TYR A 24 9.637 -2.822 11.048 1.00 31.12 H new ATOM 409 N ASP A 25 4.403 3.888 7.884 1.00 25.32 N ATOM 410 CA ASP A 25 3.724 4.864 7.019 1.00 13.23 C ATOM 411 C ASP A 25 4.546 5.186 5.757 1.00 20.14 C ATOM 412 O ASP A 25 5.780 5.141 5.771 1.00 13.50 O ATOM 413 CB ASP A 25 3.418 6.145 7.812 1.00 73.41 C ATOM 414 CG ASP A 25 4.603 6.624 8.630 1.00 72.50 C ATOM 415 OD1 ASP A 25 5.584 7.112 8.036 1.00 33.42 O ATOM 416 OD2 ASP A 25 4.563 6.501 9.873 1.00 54.40 O ATOM 0 H ASP A 25 5.145 4.283 8.462 1.00 25.32 H new ATOM 0 HA ASP A 25 2.787 4.419 6.684 1.00 13.23 H new ATOM 0 HB2 ASP A 25 3.117 6.932 7.121 1.00 73.41 H new ATOM 0 HB3 ASP A 25 2.573 5.963 8.476 1.00 73.41 H new ATOM 421 N PHE A 26 3.856 5.524 4.669 1.00 22.43 N ATOM 422 CA PHE A 26 4.517 5.815 3.392 1.00 22.34 C ATOM 423 C PHE A 26 3.685 6.771 2.527 1.00 54.31 C ATOM 424 O PHE A 26 2.488 6.568 2.326 1.00 55.53 O ATOM 425 CB PHE A 26 4.777 4.510 2.626 1.00 72.13 C ATOM 426 CG PHE A 26 5.415 4.704 1.268 1.00 61.33 C ATOM 427 CD1 PHE A 26 6.787 4.861 1.146 1.00 61.15 C ATOM 428 CD2 PHE A 26 4.639 4.725 0.117 1.00 31.14 C ATOM 429 CE1 PHE A 26 7.372 5.040 -0.093 1.00 1.01 C ATOM 430 CE2 PHE A 26 5.219 4.904 -1.127 1.00 44.12 C ATOM 431 CZ PHE A 26 6.589 5.059 -1.231 1.00 3.43 C ATOM 0 H PHE A 26 2.839 5.604 4.643 1.00 22.43 H new ATOM 0 HA PHE A 26 5.465 6.305 3.613 1.00 22.34 H new ATOM 0 HB2 PHE A 26 5.421 3.870 3.229 1.00 72.13 H new ATOM 0 HB3 PHE A 26 3.832 3.982 2.499 1.00 72.13 H new ATOM 0 HD1 PHE A 26 7.406 4.843 2.031 1.00 61.15 H new ATOM 0 HD2 PHE A 26 3.569 4.600 0.193 1.00 31.14 H new ATOM 0 HE1 PHE A 26 8.442 5.165 -0.172 1.00 1.01 H new ATOM 0 HE2 PHE A 26 4.603 4.923 -2.014 1.00 44.12 H new ATOM 0 HZ PHE A 26 7.046 5.195 -2.200 1.00 3.43 H new ATOM 441 N GLU A 27 4.330 7.818 2.017 1.00 51.24 N ATOM 442 CA GLU A 27 3.690 8.751 1.083 1.00 31.22 C ATOM 443 C GLU A 27 4.215 8.538 -0.346 1.00 43.14 C ATOM 444 O GLU A 27 5.393 8.251 -0.545 1.00 33.12 O ATOM 445 CB GLU A 27 3.919 10.201 1.537 1.00 64.25 C ATOM 446 CG GLU A 27 3.261 10.524 2.877 1.00 63.30 C ATOM 447 CD GLU A 27 3.375 11.993 3.252 1.00 13.25 C ATOM 448 OE1 GLU A 27 2.879 12.848 2.487 1.00 54.33 O ATOM 449 OE2 GLU A 27 3.952 12.303 4.313 1.00 43.12 O ATOM 0 H GLU A 27 5.300 8.045 2.234 1.00 51.24 H new ATOM 0 HA GLU A 27 2.618 8.555 1.080 1.00 31.22 H new ATOM 0 HB2 GLU A 27 4.991 10.386 1.612 1.00 64.25 H new ATOM 0 HB3 GLU A 27 3.531 10.878 0.776 1.00 64.25 H new ATOM 0 HG2 GLU A 27 2.208 10.245 2.836 1.00 63.30 H new ATOM 0 HG3 GLU A 27 3.721 9.918 3.658 1.00 63.30 H new ATOM 456 N ALA A 28 3.329 8.684 -1.330 1.00 22.51 N ATOM 457 CA ALA A 28 3.664 8.424 -2.735 1.00 22.12 C ATOM 458 C ALA A 28 4.872 9.240 -3.219 1.00 2.42 C ATOM 459 O ALA A 28 4.775 10.454 -3.430 1.00 12.12 O ATOM 460 CB ALA A 28 2.454 8.702 -3.617 1.00 3.21 C ATOM 0 H ALA A 28 2.365 8.983 -1.181 1.00 22.51 H new ATOM 0 HA ALA A 28 3.943 7.373 -2.809 1.00 22.12 H new ATOM 0 HB1 ALA A 28 2.710 8.507 -4.658 1.00 3.21 H new ATOM 0 HB2 ALA A 28 1.630 8.054 -3.319 1.00 3.21 H new ATOM 0 HB3 ALA A 28 2.155 9.744 -3.506 1.00 3.21 H new ATOM 466 N ALA A 29 6.008 8.568 -3.394 1.00 13.22 N ATOM 467 CA ALA A 29 7.210 9.209 -3.931 1.00 23.53 C ATOM 468 C ALA A 29 7.138 9.291 -5.461 1.00 1.41 C ATOM 469 O ALA A 29 7.479 10.314 -6.058 1.00 3.34 O ATOM 470 CB ALA A 29 8.456 8.450 -3.490 1.00 1.22 C ATOM 0 H ALA A 29 6.123 7.579 -3.172 1.00 13.22 H new ATOM 0 HA ALA A 29 7.268 10.224 -3.538 1.00 23.53 H new ATOM 0 HB1 ALA A 29 9.342 8.938 -3.897 1.00 1.22 H new ATOM 0 HB2 ALA A 29 8.512 8.444 -2.401 1.00 1.22 H new ATOM 0 HB3 ALA A 29 8.406 7.425 -3.856 1.00 1.22 H new ATOM 476 N GLU A 30 6.682 8.208 -6.084 1.00 23.11 N ATOM 477 CA GLU A 30 6.495 8.155 -7.540 1.00 63.32 C ATOM 478 C GLU A 30 5.006 8.204 -7.928 1.00 2.24 C ATOM 479 O GLU A 30 4.125 7.908 -7.119 1.00 42.42 O ATOM 480 CB GLU A 30 7.149 6.890 -8.116 1.00 40.41 C ATOM 481 CG GLU A 30 8.676 6.906 -8.082 1.00 23.14 C ATOM 482 CD GLU A 30 9.275 8.004 -8.952 1.00 31.21 C ATOM 483 OE1 GLU A 30 8.844 8.143 -10.116 1.00 22.43 O ATOM 484 OE2 GLU A 30 10.187 8.721 -8.487 1.00 50.45 O ATOM 0 H GLU A 30 6.432 7.345 -5.602 1.00 23.11 H new ATOM 0 HA GLU A 30 6.978 9.035 -7.964 1.00 63.32 H new ATOM 0 HB2 GLU A 30 6.793 6.024 -7.558 1.00 40.41 H new ATOM 0 HB3 GLU A 30 6.821 6.762 -9.147 1.00 40.41 H new ATOM 0 HG2 GLU A 30 9.010 7.041 -7.053 1.00 23.14 H new ATOM 0 HG3 GLU A 30 9.052 5.939 -8.415 1.00 23.14 H new ATOM 491 N ASP A 31 4.748 8.554 -9.190 1.00 52.23 N ATOM 492 CA ASP A 31 3.384 8.766 -9.704 1.00 0.50 C ATOM 493 C ASP A 31 2.444 7.572 -9.429 1.00 24.30 C ATOM 494 O ASP A 31 1.280 7.753 -9.066 1.00 51.14 O ATOM 495 CB ASP A 31 3.453 9.026 -11.215 1.00 74.23 C ATOM 496 CG ASP A 31 4.435 10.130 -11.569 1.00 12.41 C ATOM 497 OD1 ASP A 31 5.655 9.861 -11.580 1.00 73.50 O ATOM 498 OD2 ASP A 31 3.997 11.266 -11.848 1.00 24.15 O ATOM 0 H ASP A 31 5.477 8.700 -9.889 1.00 52.23 H new ATOM 0 HA ASP A 31 2.968 9.625 -9.178 1.00 0.50 H new ATOM 0 HB2 ASP A 31 3.743 8.108 -11.726 1.00 74.23 H new ATOM 0 HB3 ASP A 31 2.462 9.294 -11.580 1.00 74.23 H new ATOM 503 N ASN A 32 2.963 6.355 -9.590 1.00 2.43 N ATOM 504 CA ASN A 32 2.142 5.138 -9.483 1.00 61.32 C ATOM 505 C ASN A 32 1.992 4.641 -8.033 1.00 22.44 C ATOM 506 O ASN A 32 1.366 3.611 -7.794 1.00 44.25 O ATOM 507 CB ASN A 32 2.756 4.023 -10.337 1.00 43.30 C ATOM 508 CG ASN A 32 2.923 4.431 -11.787 1.00 73.42 C ATOM 509 OD1 ASN A 32 3.958 4.960 -12.180 1.00 4.21 O ATOM 510 ND2 ASN A 32 1.909 4.201 -12.591 1.00 63.42 N ATOM 0 H ASN A 32 3.947 6.180 -9.795 1.00 2.43 H new ATOM 0 HA ASN A 32 1.146 5.396 -9.843 1.00 61.32 H new ATOM 0 HB2 ASN A 32 3.727 3.747 -9.926 1.00 43.30 H new ATOM 0 HB3 ASN A 32 2.123 3.137 -10.282 1.00 43.30 H new ATOM 0 HD21 ASN A 32 1.968 4.464 -13.575 1.00 63.42 H new ATOM 0 HD22 ASN A 32 1.063 3.759 -12.231 1.00 63.42 H new ATOM 517 N GLU A 33 2.548 5.370 -7.070 1.00 23.42 N ATOM 518 CA GLU A 33 2.558 4.913 -5.669 1.00 41.22 C ATOM 519 C GLU A 33 1.408 5.523 -4.841 1.00 52.24 C ATOM 520 O GLU A 33 0.785 6.505 -5.246 1.00 12.50 O ATOM 521 CB GLU A 33 3.923 5.214 -5.042 1.00 33.52 C ATOM 522 CG GLU A 33 5.077 4.577 -5.822 1.00 71.25 C ATOM 523 CD GLU A 33 6.449 4.826 -5.215 1.00 40.42 C ATOM 524 OE1 GLU A 33 6.608 5.799 -4.453 1.00 13.42 O ATOM 525 OE2 GLU A 33 7.383 4.055 -5.529 1.00 53.50 O ATOM 0 H GLU A 33 2.996 6.273 -7.224 1.00 23.42 H new ATOM 0 HA GLU A 33 2.392 3.836 -5.663 1.00 41.22 H new ATOM 0 HB2 GLU A 33 4.070 6.293 -4.998 1.00 33.52 H new ATOM 0 HB3 GLU A 33 3.937 4.849 -4.015 1.00 33.52 H new ATOM 0 HG2 GLU A 33 4.909 3.502 -5.885 1.00 71.25 H new ATOM 0 HG3 GLU A 33 5.068 4.961 -6.842 1.00 71.25 H new ATOM 532 N LEU A 34 1.125 4.915 -3.685 1.00 44.44 N ATOM 533 CA LEU A 34 -0.030 5.297 -2.851 1.00 44.04 C ATOM 534 C LEU A 34 0.417 6.026 -1.566 1.00 3.10 C ATOM 535 O LEU A 34 1.379 5.621 -0.912 1.00 3.25 O ATOM 536 CB LEU A 34 -0.830 4.026 -2.488 1.00 5.25 C ATOM 537 CG LEU A 34 -2.363 4.178 -2.375 1.00 4.52 C ATOM 538 CD1 LEU A 34 -3.009 2.834 -2.047 1.00 71.44 C ATOM 539 CD2 LEU A 34 -2.758 5.223 -1.336 1.00 43.20 C ATOM 0 H LEU A 34 1.681 4.151 -3.300 1.00 44.44 H new ATOM 0 HA LEU A 34 -0.657 5.985 -3.418 1.00 44.04 H new ATOM 0 HB2 LEU A 34 -0.618 3.265 -3.239 1.00 5.25 H new ATOM 0 HB3 LEU A 34 -0.455 3.648 -1.537 1.00 5.25 H new ATOM 0 HG LEU A 34 -2.728 4.523 -3.342 1.00 4.52 H new ATOM 0 HD11 LEU A 34 -4.089 2.958 -1.971 1.00 71.44 H new ATOM 0 HD12 LEU A 34 -2.781 2.118 -2.837 1.00 71.44 H new ATOM 0 HD13 LEU A 34 -2.619 2.464 -1.099 1.00 71.44 H new ATOM 0 HD21 LEU A 34 -3.844 5.297 -1.290 1.00 43.20 H new ATOM 0 HD22 LEU A 34 -2.372 4.929 -0.360 1.00 43.20 H new ATOM 0 HD23 LEU A 34 -2.340 6.190 -1.615 1.00 43.20 H new ATOM 551 N THR A 35 -0.294 7.100 -1.211 1.00 20.15 N ATOM 552 CA THR A 35 -0.027 7.844 0.033 1.00 52.31 C ATOM 553 C THR A 35 -0.956 7.393 1.174 1.00 14.41 C ATOM 554 O THR A 35 -2.171 7.585 1.107 1.00 64.22 O ATOM 555 CB THR A 35 -0.201 9.376 -0.173 1.00 34.21 C ATOM 556 OG1 THR A 35 0.766 9.869 -1.117 1.00 41.53 O ATOM 557 CG2 THR A 35 -0.050 10.135 1.143 1.00 12.24 C ATOM 0 H THR A 35 -1.062 7.478 -1.766 1.00 20.15 H new ATOM 0 HA THR A 35 1.007 7.628 0.304 1.00 52.31 H new ATOM 0 HB THR A 35 -1.207 9.541 -0.558 1.00 34.21 H new ATOM 0 HG1 THR A 35 1.367 10.500 -0.670 1.00 41.53 H new ATOM 0 HG21 THR A 35 -0.177 11.203 0.964 1.00 12.24 H new ATOM 0 HG22 THR A 35 -0.807 9.793 1.849 1.00 12.24 H new ATOM 0 HG23 THR A 35 0.942 9.952 1.557 1.00 12.24 H new ATOM 565 N PHE A 36 -0.389 6.788 2.221 1.00 42.14 N ATOM 566 CA PHE A 36 -1.171 6.391 3.402 1.00 24.13 C ATOM 567 C PHE A 36 -0.281 6.237 4.650 1.00 13.24 C ATOM 568 O PHE A 36 0.945 6.278 4.565 1.00 75.13 O ATOM 569 CB PHE A 36 -1.952 5.094 3.128 1.00 3.11 C ATOM 570 CG PHE A 36 -1.095 3.915 2.723 1.00 13.35 C ATOM 571 CD1 PHE A 36 -0.708 3.742 1.401 1.00 51.51 C ATOM 572 CD2 PHE A 36 -0.691 2.975 3.661 1.00 25.30 C ATOM 573 CE1 PHE A 36 0.065 2.661 1.025 1.00 24.43 C ATOM 574 CE2 PHE A 36 0.080 1.893 3.288 1.00 32.41 C ATOM 575 CZ PHE A 36 0.456 1.733 1.970 1.00 31.51 C ATOM 0 H PHE A 36 0.604 6.562 2.278 1.00 42.14 H new ATOM 0 HA PHE A 36 -1.885 7.189 3.605 1.00 24.13 H new ATOM 0 HB2 PHE A 36 -2.513 4.828 4.024 1.00 3.11 H new ATOM 0 HB3 PHE A 36 -2.681 5.284 2.340 1.00 3.11 H new ATOM 0 HD1 PHE A 36 -1.015 4.462 0.657 1.00 51.51 H new ATOM 0 HD2 PHE A 36 -0.983 3.092 4.694 1.00 25.30 H new ATOM 0 HE1 PHE A 36 0.363 2.542 -0.006 1.00 24.43 H new ATOM 0 HE2 PHE A 36 0.390 1.170 4.029 1.00 32.41 H new ATOM 0 HZ PHE A 36 1.055 0.883 1.678 1.00 31.51 H new ATOM 585 N LYS A 37 -0.909 6.056 5.811 1.00 1.32 N ATOM 586 CA LYS A 37 -0.177 6.016 7.087 1.00 72.44 C ATOM 587 C LYS A 37 -0.300 4.654 7.791 1.00 52.25 C ATOM 588 O LYS A 37 -1.072 3.789 7.379 1.00 72.11 O ATOM 589 CB LYS A 37 -0.675 7.144 8.008 1.00 10.33 C ATOM 590 CG LYS A 37 -0.552 8.540 7.392 1.00 2.54 C ATOM 591 CD LYS A 37 0.896 8.888 7.036 1.00 4.33 C ATOM 592 CE LYS A 37 1.000 10.225 6.310 1.00 1.11 C ATOM 593 NZ LYS A 37 0.539 11.360 7.154 1.00 63.24 N ATOM 0 H LYS A 37 -1.918 5.935 5.900 1.00 1.32 H new ATOM 0 HA LYS A 37 0.880 6.163 6.865 1.00 72.44 H new ATOM 0 HB2 LYS A 37 -1.719 6.959 8.262 1.00 10.33 H new ATOM 0 HB3 LYS A 37 -0.110 7.116 8.940 1.00 10.33 H new ATOM 0 HG2 LYS A 37 -1.169 8.595 6.495 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -0.940 9.280 8.092 1.00 2.54 H new ATOM 0 HD2 LYS A 37 1.495 8.922 7.946 1.00 4.33 H new ATOM 0 HD3 LYS A 37 1.314 8.101 6.408 1.00 4.33 H new ATOM 0 HE2 LYS A 37 2.034 10.394 6.010 1.00 1.11 H new ATOM 0 HE3 LYS A 37 0.405 10.188 5.397 1.00 1.11 H new ATOM 0 HZ1 LYS A 37 0.706 12.256 6.653 1.00 63.24 H new ATOM 0 HZ2 LYS A 37 -0.477 11.257 7.349 1.00 63.24 H new ATOM 0 HZ3 LYS A 37 1.065 11.362 8.051 1.00 63.24 H new ATOM 607 N ALA A 38 0.473 4.480 8.864 1.00 74.31 N ATOM 608 CA ALA A 38 0.491 3.227 9.629 1.00 72.43 C ATOM 609 C ALA A 38 -0.797 3.032 10.445 1.00 52.31 C ATOM 610 O ALA A 38 -1.389 3.996 10.935 1.00 14.31 O ATOM 611 CB ALA A 38 1.706 3.199 10.548 1.00 43.23 C ATOM 0 H ALA A 38 1.101 5.197 9.227 1.00 74.31 H new ATOM 0 HA ALA A 38 0.552 2.404 8.917 1.00 72.43 H new ATOM 0 HB1 ALA A 38 1.714 2.267 11.113 1.00 43.23 H new ATOM 0 HB2 ALA A 38 2.615 3.269 9.951 1.00 43.23 H new ATOM 0 HB3 ALA A 38 1.659 4.041 11.238 1.00 43.23 H new ATOM 617 N GLY A 39 -1.219 1.779 10.592 1.00 33.51 N ATOM 618 CA GLY A 39 -2.435 1.468 11.341 1.00 14.23 C ATOM 619 C GLY A 39 -3.658 1.302 10.448 1.00 73.43 C ATOM 620 O GLY A 39 -4.732 0.909 10.913 1.00 0.42 O ATOM 0 H GLY A 39 -0.740 0.966 10.205 1.00 33.51 H new ATOM 0 HA2 GLY A 39 -2.280 0.551 11.910 1.00 14.23 H new ATOM 0 HA3 GLY A 39 -2.624 2.263 12.063 1.00 14.23 H new ATOM 624 N GLU A 40 -3.497 1.596 9.163 1.00 22.30 N ATOM 625 CA GLU A 40 -4.595 1.484 8.198 1.00 22.12 C ATOM 626 C GLU A 40 -4.669 0.078 7.581 1.00 73.31 C ATOM 627 O GLU A 40 -3.651 -0.608 7.440 1.00 41.11 O ATOM 628 CB GLU A 40 -4.433 2.530 7.083 1.00 53.22 C ATOM 629 CG GLU A 40 -4.373 3.972 7.591 1.00 34.20 C ATOM 630 CD GLU A 40 -5.615 4.373 8.373 1.00 51.01 C ATOM 631 OE1 GLU A 40 -6.623 4.761 7.743 1.00 62.14 O ATOM 632 OE2 GLU A 40 -5.592 4.297 9.621 1.00 14.02 O ATOM 0 H GLU A 40 -2.616 1.915 8.760 1.00 22.30 H new ATOM 0 HA GLU A 40 -5.524 1.666 8.738 1.00 22.12 H new ATOM 0 HB2 GLU A 40 -3.522 2.314 6.524 1.00 53.22 H new ATOM 0 HB3 GLU A 40 -5.265 2.435 6.385 1.00 53.22 H new ATOM 0 HG2 GLU A 40 -3.495 4.093 8.225 1.00 34.20 H new ATOM 0 HG3 GLU A 40 -4.249 4.646 6.744 1.00 34.20 H new ATOM 639 N ILE A 41 -5.881 -0.352 7.228 1.00 44.45 N ATOM 640 CA ILE A 41 -6.088 -1.624 6.529 1.00 43.33 C ATOM 641 C ILE A 41 -6.178 -1.395 5.011 1.00 13.23 C ATOM 642 O ILE A 41 -7.188 -0.905 4.503 1.00 30.11 O ATOM 643 CB ILE A 41 -7.376 -2.337 7.020 1.00 62.53 C ATOM 644 CG1 ILE A 41 -7.332 -2.548 8.548 1.00 22.15 C ATOM 645 CG2 ILE A 41 -7.566 -3.672 6.295 1.00 43.14 C ATOM 646 CD1 ILE A 41 -6.165 -3.395 9.025 1.00 34.10 C ATOM 0 H ILE A 41 -6.740 0.165 7.416 1.00 44.45 H new ATOM 0 HA ILE A 41 -5.232 -2.262 6.751 1.00 43.33 H new ATOM 0 HB ILE A 41 -8.229 -1.699 6.787 1.00 62.53 H new ATOM 0 HG12 ILE A 41 -7.284 -1.575 9.037 1.00 22.15 H new ATOM 0 HG13 ILE A 41 -8.262 -3.019 8.866 1.00 22.15 H new ATOM 0 HG21 ILE A 41 -8.475 -4.155 6.654 1.00 43.14 H new ATOM 0 HG22 ILE A 41 -7.649 -3.495 5.223 1.00 43.14 H new ATOM 0 HG23 ILE A 41 -6.710 -4.318 6.491 1.00 43.14 H new ATOM 0 HD11 ILE A 41 -6.207 -3.495 10.110 1.00 34.10 H new ATOM 0 HD12 ILE A 41 -6.221 -4.383 8.567 1.00 34.10 H new ATOM 0 HD13 ILE A 41 -5.228 -2.916 8.741 1.00 34.10 H new ATOM 658 N ILE A 42 -5.113 -1.732 4.293 1.00 4.00 N ATOM 659 CA ILE A 42 -5.066 -1.537 2.841 1.00 53.42 C ATOM 660 C ILE A 42 -5.600 -2.769 2.097 1.00 12.35 C ATOM 661 O ILE A 42 -5.170 -3.897 2.346 1.00 11.42 O ATOM 662 CB ILE A 42 -3.623 -1.234 2.329 1.00 34.23 C ATOM 663 CG1 ILE A 42 -3.028 0.011 3.018 1.00 61.13 C ATOM 664 CG2 ILE A 42 -3.618 -1.055 0.808 1.00 33.24 C ATOM 665 CD1 ILE A 42 -2.585 -0.219 4.449 1.00 62.50 C ATOM 0 H ILE A 42 -4.267 -2.142 4.689 1.00 4.00 H new ATOM 0 HA ILE A 42 -5.699 -0.674 2.634 1.00 53.42 H new ATOM 0 HB ILE A 42 -2.996 -2.088 2.585 1.00 34.23 H new ATOM 0 HG12 ILE A 42 -2.174 0.360 2.437 1.00 61.13 H new ATOM 0 HG13 ILE A 42 -3.770 0.809 3.004 1.00 61.13 H new ATOM 0 HG21 ILE A 42 -2.603 -0.844 0.470 1.00 33.24 H new ATOM 0 HG22 ILE A 42 -3.977 -1.968 0.333 1.00 33.24 H new ATOM 0 HG23 ILE A 42 -4.270 -0.225 0.537 1.00 33.24 H new ATOM 0 HD11 ILE A 42 -2.179 0.707 4.858 1.00 62.50 H new ATOM 0 HD12 ILE A 42 -3.439 -0.536 5.048 1.00 62.50 H new ATOM 0 HD13 ILE A 42 -1.818 -0.993 4.472 1.00 62.50 H new ATOM 677 N THR A 43 -6.545 -2.547 1.192 1.00 2.12 N ATOM 678 CA THR A 43 -7.037 -3.617 0.322 1.00 72.40 C ATOM 679 C THR A 43 -6.227 -3.645 -0.981 1.00 13.11 C ATOM 680 O THR A 43 -6.362 -2.757 -1.826 1.00 70.22 O ATOM 681 CB THR A 43 -8.542 -3.427 -0.009 1.00 41.42 C ATOM 682 OG1 THR A 43 -9.316 -3.385 1.204 1.00 73.22 O ATOM 683 CG2 THR A 43 -9.060 -4.548 -0.908 1.00 34.13 C ATOM 0 H THR A 43 -6.987 -1.641 1.039 1.00 2.12 H new ATOM 0 HA THR A 43 -6.918 -4.562 0.852 1.00 72.40 H new ATOM 0 HB THR A 43 -8.648 -2.482 -0.543 1.00 41.42 H new ATOM 0 HG1 THR A 43 -10.263 -3.263 0.984 1.00 73.22 H new ATOM 0 HG21 THR A 43 -10.117 -4.385 -1.121 1.00 34.13 H new ATOM 0 HG22 THR A 43 -8.498 -4.554 -1.842 1.00 34.13 H new ATOM 0 HG23 THR A 43 -8.935 -5.506 -0.403 1.00 34.13 H new ATOM 691 N VAL A 44 -5.376 -4.659 -1.145 1.00 32.44 N ATOM 692 CA VAL A 44 -4.506 -4.744 -2.328 1.00 24.03 C ATOM 693 C VAL A 44 -5.190 -5.496 -3.481 1.00 21.14 C ATOM 694 O VAL A 44 -5.460 -6.695 -3.402 1.00 53.42 O ATOM 695 CB VAL A 44 -3.126 -5.381 -1.992 1.00 74.20 C ATOM 696 CG1 VAL A 44 -3.289 -6.720 -1.294 1.00 54.00 C ATOM 697 CG2 VAL A 44 -2.264 -5.521 -3.248 1.00 13.53 C ATOM 0 H VAL A 44 -5.268 -5.428 -0.483 1.00 32.44 H new ATOM 0 HA VAL A 44 -4.324 -3.721 -2.657 1.00 24.03 H new ATOM 0 HB VAL A 44 -2.613 -4.709 -1.304 1.00 74.20 H new ATOM 0 HG11 VAL A 44 -2.307 -7.137 -1.074 1.00 54.00 H new ATOM 0 HG12 VAL A 44 -3.841 -6.581 -0.364 1.00 54.00 H new ATOM 0 HG13 VAL A 44 -3.837 -7.404 -1.942 1.00 54.00 H new ATOM 0 HG21 VAL A 44 -1.306 -5.969 -2.984 1.00 13.53 H new ATOM 0 HG22 VAL A 44 -2.775 -6.157 -3.971 1.00 13.53 H new ATOM 0 HG23 VAL A 44 -2.096 -4.537 -3.686 1.00 13.53 H new ATOM 707 N LEU A 45 -5.470 -4.763 -4.556 1.00 31.43 N ATOM 708 CA LEU A 45 -6.205 -5.297 -5.709 1.00 75.14 C ATOM 709 C LEU A 45 -5.310 -6.168 -6.603 1.00 52.22 C ATOM 710 O LEU A 45 -5.747 -7.202 -7.118 1.00 72.21 O ATOM 711 CB LEU A 45 -6.786 -4.137 -6.532 1.00 22.31 C ATOM 712 CG LEU A 45 -7.669 -3.151 -5.744 1.00 33.44 C ATOM 713 CD1 LEU A 45 -8.092 -1.978 -6.626 1.00 33.45 C ATOM 714 CD2 LEU A 45 -8.894 -3.860 -5.168 1.00 14.42 C ATOM 0 H LEU A 45 -5.197 -3.785 -4.656 1.00 31.43 H new ATOM 0 HA LEU A 45 -7.010 -5.927 -5.330 1.00 75.14 H new ATOM 0 HB2 LEU A 45 -5.962 -3.583 -6.981 1.00 22.31 H new ATOM 0 HB3 LEU A 45 -7.374 -4.552 -7.350 1.00 22.31 H new ATOM 0 HG LEU A 45 -7.080 -2.759 -4.914 1.00 33.44 H new ATOM 0 HD11 LEU A 45 -8.715 -1.295 -6.049 1.00 33.45 H new ATOM 0 HD12 LEU A 45 -7.206 -1.451 -6.980 1.00 33.45 H new ATOM 0 HD13 LEU A 45 -8.658 -2.350 -7.480 1.00 33.45 H new ATOM 0 HD21 LEU A 45 -9.503 -3.144 -4.616 1.00 14.42 H new ATOM 0 HD22 LEU A 45 -9.483 -4.287 -5.980 1.00 14.42 H new ATOM 0 HD23 LEU A 45 -8.572 -4.656 -4.497 1.00 14.42 H new ATOM 726 N ASP A 46 -4.060 -5.743 -6.782 1.00 1.03 N ATOM 727 CA ASP A 46 -3.124 -6.446 -7.665 1.00 21.01 C ATOM 728 C ASP A 46 -1.752 -6.641 -6.996 1.00 20.54 C ATOM 729 O ASP A 46 -0.884 -5.771 -7.058 1.00 3.31 O ATOM 730 CB ASP A 46 -2.970 -5.667 -8.978 1.00 15.21 C ATOM 731 CG ASP A 46 -2.132 -6.404 -10.008 1.00 54.24 C ATOM 732 OD1 ASP A 46 -0.886 -6.295 -9.961 1.00 32.14 O ATOM 733 OD2 ASP A 46 -2.717 -7.082 -10.876 1.00 4.35 O ATOM 0 H ASP A 46 -3.670 -4.916 -6.329 1.00 1.03 H new ATOM 0 HA ASP A 46 -3.531 -7.436 -7.873 1.00 21.01 H new ATOM 0 HB2 ASP A 46 -3.957 -5.469 -9.395 1.00 15.21 H new ATOM 0 HB3 ASP A 46 -2.512 -4.700 -8.769 1.00 15.21 H new ATOM 738 N ASP A 47 -1.569 -7.778 -6.335 1.00 2.45 N ATOM 739 CA ASP A 47 -0.276 -8.136 -5.740 1.00 4.11 C ATOM 740 C ASP A 47 0.479 -9.128 -6.647 1.00 32.32 C ATOM 741 O ASP A 47 1.118 -10.072 -6.176 1.00 21.24 O ATOM 742 CB ASP A 47 -0.495 -8.715 -4.333 1.00 64.25 C ATOM 743 CG ASP A 47 -1.471 -9.883 -4.309 1.00 62.25 C ATOM 744 OD1 ASP A 47 -2.656 -9.682 -4.656 1.00 44.34 O ATOM 745 OD2 ASP A 47 -1.067 -10.996 -3.915 1.00 22.22 O ATOM 0 H ASP A 47 -2.301 -8.475 -6.194 1.00 2.45 H new ATOM 0 HA ASP A 47 0.339 -7.241 -5.650 1.00 4.11 H new ATOM 0 HB2 ASP A 47 0.463 -9.042 -3.929 1.00 64.25 H new ATOM 0 HB3 ASP A 47 -0.865 -7.927 -3.677 1.00 64.25 H new ATOM 750 N SER A 48 0.415 -8.877 -7.956 1.00 3.32 N ATOM 751 CA SER A 48 0.994 -9.771 -8.972 1.00 14.40 C ATOM 752 C SER A 48 2.513 -9.945 -8.815 1.00 54.21 C ATOM 753 O SER A 48 3.040 -11.045 -8.987 1.00 50.35 O ATOM 754 CB SER A 48 0.680 -9.240 -10.379 1.00 21.41 C ATOM 755 OG SER A 48 1.146 -10.128 -11.383 1.00 20.15 O ATOM 0 H SER A 48 -0.038 -8.050 -8.346 1.00 3.32 H new ATOM 0 HA SER A 48 0.538 -10.751 -8.828 1.00 14.40 H new ATOM 0 HB2 SER A 48 -0.396 -9.100 -10.485 1.00 21.41 H new ATOM 0 HB3 SER A 48 1.143 -8.262 -10.512 1.00 21.41 H new ATOM 0 HG SER A 48 0.931 -9.764 -12.267 1.00 20.15 H new ATOM 761 N ASP A 49 3.215 -8.862 -8.494 1.00 14.01 N ATOM 762 CA ASP A 49 4.672 -8.899 -8.339 1.00 61.31 C ATOM 763 C ASP A 49 5.070 -8.742 -6.860 1.00 40.30 C ATOM 764 O ASP A 49 4.525 -7.892 -6.155 1.00 22.01 O ATOM 765 CB ASP A 49 5.310 -7.792 -9.187 1.00 20.12 C ATOM 766 CG ASP A 49 5.090 -8.007 -10.678 1.00 3.41 C ATOM 767 OD1 ASP A 49 3.928 -7.968 -11.128 1.00 34.41 O ATOM 768 OD2 ASP A 49 6.079 -8.225 -11.411 1.00 23.32 O ATOM 0 H ASP A 49 2.800 -7.944 -8.335 1.00 14.01 H new ATOM 0 HA ASP A 49 5.036 -9.867 -8.683 1.00 61.31 H new ATOM 0 HB2 ASP A 49 4.893 -6.828 -8.896 1.00 20.12 H new ATOM 0 HB3 ASP A 49 6.380 -7.751 -8.982 1.00 20.12 H new ATOM 773 N PRO A 50 6.041 -9.546 -6.378 1.00 24.22 N ATOM 774 CA PRO A 50 6.439 -9.560 -4.952 1.00 60.34 C ATOM 775 C PRO A 50 6.805 -8.167 -4.406 1.00 13.21 C ATOM 776 O PRO A 50 6.439 -7.814 -3.284 1.00 14.10 O ATOM 777 CB PRO A 50 7.669 -10.495 -4.925 1.00 2.01 C ATOM 778 CG PRO A 50 8.092 -10.630 -6.353 1.00 5.31 C ATOM 779 CD PRO A 50 6.836 -10.501 -7.169 1.00 10.52 C ATOM 0 HA PRO A 50 5.618 -9.892 -4.317 1.00 60.34 H new ATOM 0 HB2 PRO A 50 8.469 -10.075 -4.316 1.00 2.01 H new ATOM 0 HB3 PRO A 50 7.417 -11.465 -4.496 1.00 2.01 H new ATOM 0 HG2 PRO A 50 8.813 -9.858 -6.621 1.00 5.31 H new ATOM 0 HG3 PRO A 50 8.575 -11.592 -6.528 1.00 5.31 H new ATOM 0 HD2 PRO A 50 7.040 -10.127 -8.172 1.00 10.52 H new ATOM 0 HD3 PRO A 50 6.326 -11.457 -7.283 1.00 10.52 H new ATOM 787 N ASN A 51 7.518 -7.383 -5.209 1.00 4.24 N ATOM 788 CA ASN A 51 7.955 -6.044 -4.798 1.00 34.20 C ATOM 789 C ASN A 51 6.981 -4.946 -5.254 1.00 45.23 C ATOM 790 O ASN A 51 7.225 -3.769 -5.014 1.00 12.05 O ATOM 791 CB ASN A 51 9.352 -5.752 -5.359 1.00 52.42 C ATOM 792 CG ASN A 51 10.444 -6.578 -4.707 1.00 62.11 C ATOM 793 OD1 ASN A 51 10.233 -7.714 -4.294 1.00 2.44 O ATOM 794 ND2 ASN A 51 11.623 -6.004 -4.596 1.00 45.34 N ATOM 0 H ASN A 51 7.808 -7.648 -6.150 1.00 4.24 H new ATOM 0 HA ASN A 51 7.979 -6.035 -3.708 1.00 34.20 H new ATOM 0 HB2 ASN A 51 9.353 -5.944 -6.432 1.00 52.42 H new ATOM 0 HB3 ASN A 51 9.576 -4.694 -5.224 1.00 52.42 H new ATOM 0 HD21 ASN A 51 12.395 -6.505 -4.156 1.00 45.34 H new ATOM 0 HD22 ASN A 51 11.765 -5.058 -4.950 1.00 45.34 H new ATOM 801 N TRP A 52 5.886 -5.314 -5.915 1.00 3.24 N ATOM 802 CA TRP A 52 4.945 -4.314 -6.445 1.00 50.11 C ATOM 803 C TRP A 52 3.480 -4.684 -6.174 1.00 30.22 C ATOM 804 O TRP A 52 2.817 -5.338 -6.986 1.00 44.52 O ATOM 805 CB TRP A 52 5.193 -4.091 -7.944 1.00 65.22 C ATOM 806 CG TRP A 52 6.546 -3.495 -8.215 1.00 24.24 C ATOM 807 CD1 TRP A 52 7.672 -4.148 -8.636 1.00 41.41 C ATOM 808 CD2 TRP A 52 6.919 -2.124 -8.045 1.00 33.41 C ATOM 809 NE1 TRP A 52 8.717 -3.263 -8.736 1.00 40.35 N ATOM 810 CE2 TRP A 52 8.280 -2.015 -8.379 1.00 23.32 C ATOM 811 CE3 TRP A 52 6.229 -0.978 -7.640 1.00 55.22 C ATOM 812 CZ2 TRP A 52 8.967 -0.805 -8.322 1.00 33.12 C ATOM 813 CZ3 TRP A 52 6.911 0.223 -7.586 1.00 13.33 C ATOM 814 CH2 TRP A 52 8.268 0.300 -7.922 1.00 2.15 C ATOM 0 H TRP A 52 5.625 -6.283 -6.098 1.00 3.24 H new ATOM 0 HA TRP A 52 5.130 -3.380 -5.915 1.00 50.11 H new ATOM 0 HB2 TRP A 52 5.105 -5.042 -8.470 1.00 65.22 H new ATOM 0 HB3 TRP A 52 4.422 -3.433 -8.344 1.00 65.22 H new ATOM 0 HD1 TRP A 52 7.730 -5.204 -8.857 1.00 41.41 H new ATOM 0 HE1 TRP A 52 9.666 -3.497 -9.029 1.00 40.35 H new ATOM 0 HE3 TRP A 52 5.183 -1.030 -7.374 1.00 55.22 H new ATOM 0 HZ2 TRP A 52 10.013 -0.742 -8.584 1.00 33.12 H new ATOM 0 HZ3 TRP A 52 6.388 1.117 -7.279 1.00 13.33 H new ATOM 0 HH2 TRP A 52 8.773 1.253 -7.864 1.00 2.15 H new ATOM 825 N TRP A 53 2.993 -4.262 -5.010 1.00 14.31 N ATOM 826 CA TRP A 53 1.604 -4.475 -4.607 1.00 33.21 C ATOM 827 C TRP A 53 0.746 -3.236 -4.914 1.00 5.54 C ATOM 828 O TRP A 53 1.056 -2.127 -4.474 1.00 14.43 O ATOM 829 CB TRP A 53 1.539 -4.795 -3.105 1.00 35.45 C ATOM 830 CG TRP A 53 2.091 -6.147 -2.739 1.00 44.10 C ATOM 831 CD1 TRP A 53 3.186 -6.772 -3.271 1.00 3.44 C ATOM 832 CD2 TRP A 53 1.571 -7.036 -1.742 1.00 64.41 C ATOM 833 NE1 TRP A 53 3.367 -7.994 -2.672 1.00 32.42 N ATOM 834 CE2 TRP A 53 2.392 -8.178 -1.730 1.00 3.21 C ATOM 835 CE3 TRP A 53 0.489 -6.977 -0.858 1.00 3.53 C ATOM 836 CZ2 TRP A 53 2.166 -9.251 -0.872 1.00 55.53 C ATOM 837 CZ3 TRP A 53 0.266 -8.042 -0.008 1.00 63.51 C ATOM 838 CH2 TRP A 53 1.102 -9.166 -0.019 1.00 25.23 C ATOM 0 H TRP A 53 3.551 -3.762 -4.318 1.00 14.31 H new ATOM 0 HA TRP A 53 1.208 -5.316 -5.175 1.00 33.21 H new ATOM 0 HB2 TRP A 53 2.089 -4.030 -2.558 1.00 35.45 H new ATOM 0 HB3 TRP A 53 0.501 -4.738 -2.777 1.00 35.45 H new ATOM 0 HD1 TRP A 53 3.815 -6.364 -4.048 1.00 3.44 H new ATOM 0 HE1 TRP A 53 4.109 -8.658 -2.894 1.00 32.42 H new ATOM 0 HE3 TRP A 53 -0.160 -6.114 -0.840 1.00 3.53 H new ATOM 0 HZ2 TRP A 53 2.808 -10.119 -0.880 1.00 55.53 H new ATOM 0 HZ3 TRP A 53 -0.568 -8.008 0.678 1.00 63.51 H new ATOM 0 HH2 TRP A 53 0.902 -9.981 0.660 1.00 25.23 H new ATOM 849 N LYS A 54 -0.324 -3.434 -5.679 1.00 41.15 N ATOM 850 CA LYS A 54 -1.238 -2.348 -6.048 1.00 34.14 C ATOM 851 C LYS A 54 -2.498 -2.384 -5.170 1.00 61.24 C ATOM 852 O LYS A 54 -3.288 -3.327 -5.241 1.00 74.15 O ATOM 853 CB LYS A 54 -1.616 -2.484 -7.528 1.00 50.50 C ATOM 854 CG LYS A 54 -2.333 -1.272 -8.114 1.00 12.45 C ATOM 855 CD LYS A 54 -2.652 -1.483 -9.593 1.00 2.40 C ATOM 856 CE LYS A 54 -3.244 -0.236 -10.237 1.00 51.24 C ATOM 857 NZ LYS A 54 -3.588 -0.459 -11.666 1.00 2.45 N ATOM 0 H LYS A 54 -0.584 -4.344 -6.060 1.00 41.15 H new ATOM 0 HA LYS A 54 -0.740 -1.391 -5.889 1.00 34.14 H new ATOM 0 HB2 LYS A 54 -0.710 -2.668 -8.105 1.00 50.50 H new ATOM 0 HB3 LYS A 54 -2.254 -3.360 -7.648 1.00 50.50 H new ATOM 0 HG2 LYS A 54 -3.255 -1.090 -7.562 1.00 12.45 H new ATOM 0 HG3 LYS A 54 -1.710 -0.385 -7.996 1.00 12.45 H new ATOM 0 HD2 LYS A 54 -1.742 -1.766 -10.122 1.00 2.40 H new ATOM 0 HD3 LYS A 54 -3.353 -2.311 -9.697 1.00 2.40 H new ATOM 0 HE2 LYS A 54 -4.138 0.065 -9.691 1.00 51.24 H new ATOM 0 HE3 LYS A 54 -2.532 0.586 -10.159 1.00 51.24 H new ATOM 0 HZ1 LYS A 54 -3.988 0.413 -12.067 1.00 2.45 H new ATOM 0 HZ2 LYS A 54 -2.730 -0.721 -12.193 1.00 2.45 H new ATOM 0 HZ3 LYS A 54 -4.287 -1.226 -11.739 1.00 2.45 H new ATOM 871 N GLY A 55 -2.696 -1.351 -4.355 1.00 61.55 N ATOM 872 CA GLY A 55 -3.797 -1.350 -3.396 1.00 44.22 C ATOM 873 C GLY A 55 -4.673 -0.105 -3.451 1.00 74.14 C ATOM 874 O GLY A 55 -4.371 0.855 -4.166 1.00 24.34 O ATOM 0 H GLY A 55 -2.115 -0.513 -4.339 1.00 61.55 H new ATOM 0 HA2 GLY A 55 -4.420 -2.227 -3.574 1.00 44.22 H new ATOM 0 HA3 GLY A 55 -3.388 -1.449 -2.390 1.00 44.22 H new ATOM 878 N GLU A 56 -5.759 -0.130 -2.684 1.00 10.44 N ATOM 879 CA GLU A 56 -6.695 0.994 -2.599 1.00 43.11 C ATOM 880 C GLU A 56 -6.936 1.407 -1.139 1.00 40.10 C ATOM 881 O GLU A 56 -7.155 0.560 -0.268 1.00 42.40 O ATOM 882 CB GLU A 56 -8.036 0.615 -3.244 1.00 21.12 C ATOM 883 CG GLU A 56 -9.110 1.693 -3.104 1.00 41.12 C ATOM 884 CD GLU A 56 -10.477 1.233 -3.577 1.00 60.31 C ATOM 885 OE1 GLU A 56 -11.237 0.674 -2.758 1.00 62.20 O ATOM 886 OE2 GLU A 56 -10.805 1.437 -4.766 1.00 4.33 O ATOM 0 H GLU A 56 -6.018 -0.928 -2.103 1.00 10.44 H new ATOM 0 HA GLU A 56 -6.253 1.836 -3.132 1.00 43.11 H new ATOM 0 HB2 GLU A 56 -7.875 0.410 -4.302 1.00 21.12 H new ATOM 0 HB3 GLU A 56 -8.399 -0.308 -2.792 1.00 21.12 H new ATOM 0 HG2 GLU A 56 -9.177 1.998 -2.060 1.00 41.12 H new ATOM 0 HG3 GLU A 56 -8.811 2.572 -3.675 1.00 41.12 H new ATOM 893 N THR A 57 -6.893 2.711 -0.882 1.00 42.21 N ATOM 894 CA THR A 57 -7.244 3.267 0.430 1.00 33.51 C ATOM 895 C THR A 57 -8.308 4.357 0.270 1.00 30.21 C ATOM 896 O THR A 57 -8.804 4.597 -0.831 1.00 0.02 O ATOM 897 CB THR A 57 -6.020 3.893 1.152 1.00 63.45 C ATOM 898 OG1 THR A 57 -5.602 5.091 0.475 1.00 22.15 O ATOM 899 CG2 THR A 57 -4.852 2.914 1.226 1.00 45.55 C ATOM 0 H THR A 57 -6.616 3.412 -1.569 1.00 42.21 H new ATOM 0 HA THR A 57 -7.619 2.438 1.031 1.00 33.51 H new ATOM 0 HB THR A 57 -6.327 4.136 2.169 1.00 63.45 H new ATOM 0 HG1 THR A 57 -4.742 5.389 0.839 1.00 22.15 H new ATOM 0 HG21 THR A 57 -4.013 3.386 1.738 1.00 45.55 H new ATOM 0 HG22 THR A 57 -5.158 2.024 1.776 1.00 45.55 H new ATOM 0 HG23 THR A 57 -4.549 2.632 0.218 1.00 45.55 H new ATOM 907 N HIS A 58 -8.660 5.021 1.366 1.00 53.10 N ATOM 908 CA HIS A 58 -9.553 6.183 1.306 1.00 63.04 C ATOM 909 C HIS A 58 -8.785 7.453 0.901 1.00 3.55 C ATOM 910 O HIS A 58 -9.359 8.537 0.794 1.00 13.40 O ATOM 911 CB HIS A 58 -10.260 6.380 2.653 1.00 13.53 C ATOM 912 CG HIS A 58 -11.275 5.318 2.945 1.00 61.31 C ATOM 913 ND1 HIS A 58 -10.992 4.178 3.662 1.00 12.13 N ATOM 914 CD2 HIS A 58 -12.580 5.222 2.596 1.00 20.32 C ATOM 915 CE1 HIS A 58 -12.070 3.428 3.735 1.00 34.04 C ATOM 916 NE2 HIS A 58 -13.047 4.038 3.101 1.00 2.30 N ATOM 0 H HIS A 58 -8.344 4.779 2.305 1.00 53.10 H new ATOM 0 HA HIS A 58 -10.307 5.995 0.542 1.00 63.04 H new ATOM 0 HB2 HIS A 58 -9.515 6.391 3.449 1.00 13.53 H new ATOM 0 HB3 HIS A 58 -10.749 7.354 2.661 1.00 13.53 H new ATOM 0 HD2 HIS A 58 -13.146 5.944 2.026 1.00 20.32 H new ATOM 0 HE1 HIS A 58 -12.141 2.472 4.232 1.00 34.04 H new ATOM 0 HE2 HIS A 58 -13.999 3.686 3.001 1.00 2.30 H new ATOM 925 N GLN A 59 -7.480 7.303 0.668 1.00 23.54 N ATOM 926 CA GLN A 59 -6.626 8.417 0.237 1.00 1.42 C ATOM 927 C GLN A 59 -6.299 8.320 -1.266 1.00 63.51 C ATOM 928 O GLN A 59 -5.767 9.262 -1.858 1.00 73.31 O ATOM 929 CB GLN A 59 -5.324 8.425 1.052 1.00 21.40 C ATOM 930 CG GLN A 59 -5.532 8.332 2.564 1.00 32.24 C ATOM 931 CD GLN A 59 -6.381 9.462 3.132 1.00 33.33 C ATOM 932 OE1 GLN A 59 -6.401 10.576 2.615 1.00 23.05 O ATOM 933 NE2 GLN A 59 -7.094 9.184 4.203 1.00 62.23 N ATOM 0 H GLN A 59 -6.987 6.416 0.771 1.00 23.54 H new ATOM 0 HA GLN A 59 -7.170 9.346 0.409 1.00 1.42 H new ATOM 0 HB2 GLN A 59 -4.701 7.590 0.730 1.00 21.40 H new ATOM 0 HB3 GLN A 59 -4.773 9.338 0.828 1.00 21.40 H new ATOM 0 HG2 GLN A 59 -6.006 7.379 2.800 1.00 32.24 H new ATOM 0 HG3 GLN A 59 -4.560 8.335 3.057 1.00 32.24 H new ATOM 0 HE21 GLN A 59 -7.058 8.250 4.611 1.00 62.23 H new ATOM 0 HE22 GLN A 59 -7.682 9.903 4.625 1.00 62.23 H new ATOM 942 N GLY A 60 -6.605 7.170 -1.870 1.00 63.44 N ATOM 943 CA GLY A 60 -6.345 6.970 -3.295 1.00 72.23 C ATOM 944 C GLY A 60 -5.958 5.533 -3.644 1.00 54.15 C ATOM 945 O GLY A 60 -6.007 4.639 -2.798 1.00 30.40 O ATOM 0 H GLY A 60 -7.029 6.371 -1.399 1.00 63.44 H new ATOM 0 HA2 GLY A 60 -7.234 7.247 -3.862 1.00 72.23 H new ATOM 0 HA3 GLY A 60 -5.545 7.641 -3.609 1.00 72.23 H new ATOM 949 N ILE A 61 -5.581 5.313 -4.906 1.00 23.42 N ATOM 950 CA ILE A 61 -5.151 3.991 -5.388 1.00 0.33 C ATOM 951 C ILE A 61 -3.719 4.063 -5.941 1.00 22.20 C ATOM 952 O ILE A 61 -3.374 5.003 -6.658 1.00 31.45 O ATOM 953 CB ILE A 61 -6.092 3.464 -6.508 1.00 53.25 C ATOM 954 CG1 ILE A 61 -7.551 3.426 -6.019 1.00 15.13 C ATOM 955 CG2 ILE A 61 -5.649 2.079 -6.992 1.00 71.04 C ATOM 956 CD1 ILE A 61 -8.542 2.981 -7.079 1.00 35.35 C ATOM 0 H ILE A 61 -5.564 6.040 -5.622 1.00 23.42 H new ATOM 0 HA ILE A 61 -5.190 3.308 -4.540 1.00 0.33 H new ATOM 0 HB ILE A 61 -6.029 4.152 -7.351 1.00 53.25 H new ATOM 0 HG12 ILE A 61 -7.620 2.753 -5.165 1.00 15.13 H new ATOM 0 HG13 ILE A 61 -7.832 4.418 -5.666 1.00 15.13 H new ATOM 0 HG21 ILE A 61 -6.324 1.734 -7.775 1.00 71.04 H new ATOM 0 HG22 ILE A 61 -4.635 2.139 -7.388 1.00 71.04 H new ATOM 0 HG23 ILE A 61 -5.672 1.378 -6.158 1.00 71.04 H new ATOM 0 HD11 ILE A 61 -9.548 2.980 -6.659 1.00 35.35 H new ATOM 0 HD12 ILE A 61 -8.503 3.667 -7.925 1.00 35.35 H new ATOM 0 HD13 ILE A 61 -8.288 1.976 -7.415 1.00 35.35 H new ATOM 968 N GLY A 62 -2.887 3.075 -5.612 1.00 54.35 N ATOM 969 CA GLY A 62 -1.508 3.079 -6.094 1.00 44.13 C ATOM 970 C GLY A 62 -0.681 1.894 -5.607 1.00 40.21 C ATOM 971 O GLY A 62 -1.219 0.899 -5.123 1.00 11.33 O ATOM 0 H GLY A 62 -3.137 2.278 -5.026 1.00 54.35 H new ATOM 0 HA2 GLY A 62 -1.514 3.082 -7.184 1.00 44.13 H new ATOM 0 HA3 GLY A 62 -1.025 4.003 -5.775 1.00 44.13 H new ATOM 975 N LEU A 63 0.637 2.008 -5.739 1.00 43.31 N ATOM 976 CA LEU A 63 1.572 0.940 -5.365 1.00 30.44 C ATOM 977 C LEU A 63 2.267 1.229 -4.022 1.00 42.12 C ATOM 978 O LEU A 63 2.488 2.385 -3.660 1.00 63.44 O ATOM 979 CB LEU A 63 2.639 0.792 -6.463 1.00 12.52 C ATOM 980 CG LEU A 63 2.104 0.420 -7.858 1.00 5.34 C ATOM 981 CD1 LEU A 63 3.188 0.575 -8.925 1.00 4.23 C ATOM 982 CD2 LEU A 63 1.556 -1.000 -7.857 1.00 30.41 C ATOM 0 H LEU A 63 1.092 2.843 -6.108 1.00 43.31 H new ATOM 0 HA LEU A 63 1.000 0.018 -5.257 1.00 30.44 H new ATOM 0 HB2 LEU A 63 3.188 1.730 -6.541 1.00 12.52 H new ATOM 0 HB3 LEU A 63 3.353 0.030 -6.151 1.00 12.52 H new ATOM 0 HG LEU A 63 1.293 1.107 -8.101 1.00 5.34 H new ATOM 0 HD11 LEU A 63 2.781 0.305 -9.899 1.00 4.23 H new ATOM 0 HD12 LEU A 63 3.530 1.610 -8.949 1.00 4.23 H new ATOM 0 HD13 LEU A 63 4.027 -0.079 -8.689 1.00 4.23 H new ATOM 0 HD21 LEU A 63 1.182 -1.246 -8.851 1.00 30.41 H new ATOM 0 HD22 LEU A 63 2.350 -1.696 -7.585 1.00 30.41 H new ATOM 0 HD23 LEU A 63 0.743 -1.076 -7.134 1.00 30.41 H new ATOM 994 N PHE A 64 2.601 0.168 -3.288 1.00 11.02 N ATOM 995 CA PHE A 64 3.435 0.280 -2.079 1.00 22.20 C ATOM 996 C PHE A 64 4.528 -0.813 -2.071 1.00 55.33 C ATOM 997 O PHE A 64 4.395 -1.858 -1.431 1.00 4.01 O ATOM 998 CB PHE A 64 2.575 0.235 -0.799 1.00 51.13 C ATOM 999 CG PHE A 64 1.593 -0.912 -0.722 1.00 64.50 C ATOM 1000 CD1 PHE A 64 0.424 -0.896 -1.475 1.00 23.03 C ATOM 1001 CD2 PHE A 64 1.829 -1.998 0.114 1.00 22.31 C ATOM 1002 CE1 PHE A 64 -0.486 -1.932 -1.390 1.00 1.15 C ATOM 1003 CE2 PHE A 64 0.921 -3.037 0.197 1.00 4.04 C ATOM 1004 CZ PHE A 64 -0.234 -3.006 -0.556 1.00 11.12 C ATOM 0 H PHE A 64 2.308 -0.785 -3.506 1.00 11.02 H new ATOM 0 HA PHE A 64 3.932 1.250 -2.096 1.00 22.20 H new ATOM 0 HB2 PHE A 64 3.239 0.182 0.064 1.00 51.13 H new ATOM 0 HB3 PHE A 64 2.022 1.171 -0.719 1.00 51.13 H new ATOM 0 HD1 PHE A 64 0.225 -0.064 -2.134 1.00 23.03 H new ATOM 0 HD2 PHE A 64 2.732 -2.030 0.705 1.00 22.31 H new ATOM 0 HE1 PHE A 64 -1.394 -1.903 -1.975 1.00 1.15 H new ATOM 0 HE2 PHE A 64 1.116 -3.873 0.852 1.00 4.04 H new ATOM 0 HZ PHE A 64 -0.941 -3.820 -0.494 1.00 11.12 H new ATOM 1014 N PRO A 65 5.637 -0.569 -2.800 1.00 32.13 N ATOM 1015 CA PRO A 65 6.663 -1.598 -3.071 1.00 61.42 C ATOM 1016 C PRO A 65 7.516 -1.993 -1.852 1.00 53.41 C ATOM 1017 O PRO A 65 8.090 -3.083 -1.814 1.00 15.33 O ATOM 1018 CB PRO A 65 7.534 -0.939 -4.151 1.00 62.34 C ATOM 1019 CG PRO A 65 7.378 0.527 -3.935 1.00 13.03 C ATOM 1020 CD PRO A 65 5.975 0.730 -3.426 1.00 10.22 C ATOM 0 HA PRO A 65 6.200 -2.540 -3.366 1.00 61.42 H new ATOM 0 HB2 PRO A 65 8.577 -1.243 -4.056 1.00 62.34 H new ATOM 0 HB3 PRO A 65 7.208 -1.227 -5.150 1.00 62.34 H new ATOM 0 HG2 PRO A 65 8.110 0.895 -3.216 1.00 13.03 H new ATOM 0 HG3 PRO A 65 7.539 1.076 -4.863 1.00 13.03 H new ATOM 0 HD2 PRO A 65 5.925 1.547 -2.706 1.00 10.22 H new ATOM 0 HD3 PRO A 65 5.287 0.976 -4.235 1.00 10.22 H new ATOM 1028 N SER A 66 7.590 -1.117 -0.854 1.00 41.25 N ATOM 1029 CA SER A 66 8.449 -1.346 0.324 1.00 12.05 C ATOM 1030 C SER A 66 8.039 -2.594 1.134 1.00 40.32 C ATOM 1031 O SER A 66 8.823 -3.082 1.946 1.00 54.44 O ATOM 1032 CB SER A 66 8.451 -0.109 1.233 1.00 70.03 C ATOM 1033 OG SER A 66 9.246 -0.309 2.397 1.00 23.05 O ATOM 0 H SER A 66 7.069 -0.240 -0.829 1.00 41.25 H new ATOM 0 HA SER A 66 9.455 -1.527 -0.055 1.00 12.05 H new ATOM 0 HB2 SER A 66 8.829 0.749 0.678 1.00 70.03 H new ATOM 0 HB3 SER A 66 7.428 0.127 1.527 1.00 70.03 H new ATOM 0 HG SER A 66 9.225 0.499 2.951 1.00 23.05 H new ATOM 1039 N ASN A 67 6.808 -3.089 0.933 1.00 43.44 N ATOM 1040 CA ASN A 67 6.330 -4.319 1.603 1.00 50.14 C ATOM 1041 C ASN A 67 6.304 -4.191 3.145 1.00 32.14 C ATOM 1042 O ASN A 67 6.543 -5.160 3.863 1.00 3.43 O ATOM 1043 CB ASN A 67 7.206 -5.517 1.197 1.00 43.15 C ATOM 1044 CG ASN A 67 7.122 -5.854 -0.284 1.00 3.40 C ATOM 1045 OD1 ASN A 67 8.108 -6.250 -0.894 1.00 62.23 O ATOM 1046 ND2 ASN A 67 5.944 -5.734 -0.867 1.00 31.23 N ATOM 0 H ASN A 67 6.122 -2.660 0.313 1.00 43.44 H new ATOM 0 HA ASN A 67 5.303 -4.478 1.275 1.00 50.14 H new ATOM 0 HB2 ASN A 67 8.243 -5.303 1.455 1.00 43.15 H new ATOM 0 HB3 ASN A 67 6.907 -6.389 1.778 1.00 43.15 H new ATOM 0 HD21 ASN A 67 5.836 -5.974 -1.852 1.00 31.23 H new ATOM 0 HD22 ASN A 67 5.142 -5.401 -0.332 1.00 31.23 H new ATOM 1053 N PHE A 68 5.967 -3.004 3.645 1.00 21.33 N ATOM 1054 CA PHE A 68 5.903 -2.748 5.097 1.00 31.33 C ATOM 1055 C PHE A 68 4.542 -3.157 5.704 1.00 40.25 C ATOM 1056 O PHE A 68 4.102 -2.592 6.710 1.00 12.14 O ATOM 1057 CB PHE A 68 6.166 -1.260 5.367 1.00 33.45 C ATOM 1058 CG PHE A 68 5.285 -0.336 4.561 1.00 12.34 C ATOM 1059 CD1 PHE A 68 3.960 -0.127 4.911 1.00 24.14 C ATOM 1060 CD2 PHE A 68 5.782 0.308 3.441 1.00 61.12 C ATOM 1061 CE1 PHE A 68 3.154 0.701 4.161 1.00 12.32 C ATOM 1062 CE2 PHE A 68 4.981 1.141 2.689 1.00 75.04 C ATOM 1063 CZ PHE A 68 3.664 1.337 3.049 1.00 43.15 C ATOM 0 H PHE A 68 5.732 -2.196 3.069 1.00 21.33 H new ATOM 0 HA PHE A 68 6.669 -3.359 5.575 1.00 31.33 H new ATOM 0 HB2 PHE A 68 6.015 -1.059 6.428 1.00 33.45 H new ATOM 0 HB3 PHE A 68 7.210 -1.038 5.146 1.00 33.45 H new ATOM 0 HD1 PHE A 68 3.555 -0.619 5.783 1.00 24.14 H new ATOM 0 HD2 PHE A 68 6.811 0.156 3.152 1.00 61.12 H new ATOM 0 HE1 PHE A 68 2.123 0.852 4.444 1.00 12.32 H new ATOM 0 HE2 PHE A 68 5.384 1.639 1.820 1.00 75.04 H new ATOM 0 HZ PHE A 68 3.033 1.987 2.461 1.00 43.15 H new ATOM 1073 N VAL A 69 3.888 -4.144 5.107 1.00 11.44 N ATOM 1074 CA VAL A 69 2.545 -4.553 5.539 1.00 11.34 C ATOM 1075 C VAL A 69 2.502 -6.025 5.978 1.00 72.14 C ATOM 1076 O VAL A 69 3.306 -6.847 5.535 1.00 73.12 O ATOM 1077 CB VAL A 69 1.501 -4.319 4.415 1.00 21.33 C ATOM 1078 CG1 VAL A 69 1.354 -2.829 4.105 1.00 24.11 C ATOM 1079 CG2 VAL A 69 1.870 -5.099 3.152 1.00 61.10 C ATOM 0 H VAL A 69 4.259 -4.680 4.323 1.00 11.44 H new ATOM 0 HA VAL A 69 2.294 -3.932 6.399 1.00 11.34 H new ATOM 0 HB VAL A 69 0.540 -4.688 4.772 1.00 21.33 H new ATOM 0 HG11 VAL A 69 0.616 -2.693 3.314 1.00 24.11 H new ATOM 0 HG12 VAL A 69 1.027 -2.302 5.001 1.00 24.11 H new ATOM 0 HG13 VAL A 69 2.314 -2.429 3.779 1.00 24.11 H new ATOM 0 HG21 VAL A 69 1.122 -4.917 2.380 1.00 61.10 H new ATOM 0 HG22 VAL A 69 2.847 -4.772 2.795 1.00 61.10 H new ATOM 0 HG23 VAL A 69 1.905 -6.164 3.380 1.00 61.10 H new ATOM 1089 N THR A 70 1.554 -6.343 6.859 1.00 3.23 N ATOM 1090 CA THR A 70 1.371 -7.714 7.358 1.00 54.30 C ATOM 1091 C THR A 70 -0.090 -8.169 7.222 1.00 21.01 C ATOM 1092 O THR A 70 -0.974 -7.369 6.920 1.00 24.31 O ATOM 1093 CB THR A 70 1.804 -7.844 8.839 1.00 62.34 C ATOM 1094 OG1 THR A 70 1.570 -9.185 9.310 1.00 24.12 O ATOM 1095 CG2 THR A 70 1.061 -6.844 9.722 1.00 63.31 C ATOM 0 H THR A 70 0.895 -5.668 7.247 1.00 3.23 H new ATOM 0 HA THR A 70 2.005 -8.354 6.745 1.00 54.30 H new ATOM 0 HB THR A 70 2.870 -7.623 8.898 1.00 62.34 H new ATOM 0 HG1 THR A 70 1.849 -9.256 10.247 1.00 24.12 H new ATOM 0 HG21 THR A 70 1.386 -6.960 10.756 1.00 63.31 H new ATOM 0 HG22 THR A 70 1.277 -5.830 9.385 1.00 63.31 H new ATOM 0 HG23 THR A 70 -0.011 -7.027 9.656 1.00 63.31 H new ATOM 1103 N ALA A 71 -0.340 -9.455 7.454 1.00 21.14 N ATOM 1104 CA ALA A 71 -1.685 -10.021 7.307 1.00 50.15 C ATOM 1105 C ALA A 71 -2.394 -10.174 8.665 1.00 11.00 C ATOM 1106 O ALA A 71 -2.101 -11.096 9.430 1.00 64.13 O ATOM 1107 CB ALA A 71 -1.608 -11.365 6.589 1.00 33.25 C ATOM 0 H ALA A 71 0.369 -10.128 7.745 1.00 21.14 H new ATOM 0 HA ALA A 71 -2.277 -9.327 6.710 1.00 50.15 H new ATOM 0 HB1 ALA A 71 -2.611 -11.779 6.484 1.00 33.25 H new ATOM 0 HB2 ALA A 71 -1.167 -11.225 5.602 1.00 33.25 H new ATOM 0 HB3 ALA A 71 -0.991 -12.052 7.168 1.00 33.25 H new