USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 356 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 51 SER OG : rot 73:sc= 1.5 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -172:sc= 0.447 (180deg=0) USER MOD Single : A 27 MET CE :methyl -161:sc= 0 (180deg=-0.178) USER MOD Single : A 31 ASN : amide:sc= -1.15 K(o=-1.2,f=-7.5!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0127 K(o=-0.013,f=-3!) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00215 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.357 28.879 -7.501 1.00 25.00 N ATOM 273 CA PRO A 21 30.349 29.217 -6.076 1.00 25.00 C ATOM 274 C PRO A 21 30.676 30.680 -5.835 1.00 25.00 C ATOM 275 O PRO A 21 30.216 31.259 -4.874 1.00 25.00 O ATOM 276 CB PRO A 21 31.456 28.327 -5.508 1.00 25.00 C ATOM 277 CG PRO A 21 32.316 28.044 -6.659 1.00 25.00 C ATOM 278 CD PRO A 21 31.421 27.911 -7.809 1.00 25.00 C ATOM 0 HA PRO A 21 29.372 29.061 -5.618 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.006 28.833 -4.715 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.050 27.411 -5.080 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.035 28.848 -6.815 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.889 27.130 -6.503 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.926 28.148 -8.745 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.032 26.897 -7.905 1.00 25.00 H new ATOM 286 N ALA A 22 31.456 31.284 -6.720 1.00 25.00 N ATOM 287 CA ALA A 22 31.818 32.687 -6.578 1.00 25.00 C ATOM 288 C ALA A 22 30.574 33.578 -6.659 1.00 25.00 C ATOM 289 O ALA A 22 30.414 34.498 -5.856 1.00 25.00 O ATOM 290 CB ALA A 22 32.831 33.072 -7.658 1.00 25.00 C ATOM 0 H ALA A 22 31.850 30.826 -7.542 1.00 25.00 H new ATOM 0 HA ALA A 22 32.273 32.836 -5.599 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.099 34.123 -7.548 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.725 32.457 -7.554 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.392 32.911 -8.643 1.00 25.00 H new ATOM 296 N LEU A 23 29.701 33.286 -7.616 1.00 25.00 N ATOM 297 CA LEU A 23 28.480 34.072 -7.808 1.00 25.00 C ATOM 298 C LEU A 23 27.489 33.776 -6.700 1.00 25.00 C ATOM 299 O LEU A 23 26.846 34.674 -6.181 1.00 25.00 O ATOM 300 CB LEU A 23 27.806 33.752 -9.151 1.00 25.00 C ATOM 301 CG LEU A 23 28.597 33.996 -10.446 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.715 33.645 -11.644 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.079 35.428 -10.580 1.00 25.00 C ATOM 0 H LEU A 23 29.812 32.513 -8.272 1.00 25.00 H new ATOM 0 HA LEU A 23 28.769 35.123 -7.795 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.515 32.702 -9.134 1.00 25.00 H new ATOM 0 HB3 LEU A 23 26.888 34.337 -9.208 1.00 25.00 H new ATOM 0 HG LEU A 23 29.482 33.361 -10.412 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.270 33.816 -12.567 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.422 32.597 -11.585 1.00 25.00 H new ATOM 0 HD13 LEU A 23 26.823 34.272 -11.635 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.631 35.540 -11.513 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.222 36.102 -10.582 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.731 35.672 -9.741 1.00 25.00 H new ATOM 315 N LEU A 24 27.371 32.508 -6.332 1.00 25.00 N ATOM 316 CA LEU A 24 26.434 32.118 -5.286 1.00 25.00 C ATOM 317 C LEU A 24 26.842 32.750 -3.960 1.00 25.00 C ATOM 318 O LEU A 24 26.007 33.289 -3.249 1.00 25.00 O ATOM 319 CB LEU A 24 26.375 30.590 -5.167 1.00 25.00 C ATOM 320 CG LEU A 24 25.386 30.008 -4.140 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.017 30.695 -4.164 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.207 28.522 -4.399 1.00 25.00 C ATOM 0 H LEU A 24 27.905 31.739 -6.736 1.00 25.00 H new ATOM 0 HA LEU A 24 25.439 32.477 -5.548 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.125 30.183 -6.147 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.373 30.230 -4.918 1.00 25.00 H new ATOM 0 HG LEU A 24 25.813 30.184 -3.153 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.368 30.238 -3.417 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.138 31.755 -3.940 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.570 30.581 -5.152 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.507 28.108 -3.673 1.00 25.00 H new ATOM 0 HD22 LEU A 24 24.816 28.373 -5.406 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.169 28.018 -4.304 1.00 25.00 H new ATOM 334 N ARG A 25 28.133 32.742 -3.663 1.00 25.00 N ATOM 335 CA ARG A 25 28.659 33.389 -2.465 1.00 25.00 C ATOM 336 C ARG A 25 28.308 34.868 -2.497 1.00 25.00 C ATOM 337 O ARG A 25 27.881 35.420 -1.502 1.00 25.00 O ATOM 338 CB ARG A 25 30.181 33.197 -2.427 1.00 25.00 C ATOM 339 CG ARG A 25 30.934 33.968 -1.336 1.00 25.00 C ATOM 340 CD ARG A 25 32.279 34.465 -1.859 1.00 25.00 C ATOM 341 NE ARG A 25 32.088 35.359 -3.017 1.00 25.00 N ATOM 342 CZ ARG A 25 32.804 36.442 -3.295 1.00 25.00 C ATOM 343 NH1 ARG A 25 33.816 36.825 -2.557 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.483 37.150 -4.337 1.00 25.00 N ATOM 0 H ARG A 25 28.843 32.291 -4.240 1.00 25.00 H new ATOM 0 HA ARG A 25 28.220 32.946 -1.571 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.389 32.134 -2.301 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.587 33.489 -3.395 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.333 34.814 -1.001 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.090 33.324 -0.470 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.810 34.994 -1.068 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.900 33.616 -2.146 1.00 25.00 H new ATOM 0 HE ARG A 25 31.336 35.123 -3.664 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.080 36.284 -1.733 1.00 25.00 H new ATOM 0 HH12 ARG A 25 34.340 37.664 -2.806 1.00 25.00 H new ATOM 0 HH21 ARG A 25 31.695 36.869 -4.921 1.00 25.00 H new ATOM 0 HH22 ARG A 25 33.019 37.986 -4.570 1.00 25.00 H new ATOM 358 N ASP A 26 28.484 35.507 -3.641 1.00 25.00 N ATOM 359 CA ASP A 26 28.218 36.941 -3.750 1.00 25.00 C ATOM 360 C ASP A 26 26.733 37.251 -3.539 1.00 25.00 C ATOM 361 O ASP A 26 26.378 38.149 -2.779 1.00 25.00 O ATOM 362 CB ASP A 26 28.677 37.447 -5.116 1.00 25.00 C ATOM 363 CG ASP A 26 29.090 38.899 -5.079 1.00 25.00 C ATOM 364 OD1 ASP A 26 28.296 39.772 -5.468 1.00 25.00 O ATOM 365 OD2 ASP A 26 30.246 39.156 -4.670 1.00 25.00 O ATOM 0 H ASP A 26 28.806 35.066 -4.502 1.00 25.00 H new ATOM 0 HA ASP A 26 28.777 37.454 -2.967 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.515 36.842 -5.463 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.871 37.319 -5.838 1.00 25.00 H new ATOM 370 N MET A 27 25.869 36.453 -4.152 1.00 25.00 N ATOM 371 CA MET A 27 24.422 36.617 -3.995 1.00 25.00 C ATOM 372 C MET A 27 24.020 36.415 -2.548 1.00 25.00 C ATOM 373 O MET A 27 23.214 37.158 -2.008 1.00 25.00 O ATOM 374 CB MET A 27 23.674 35.591 -4.849 1.00 25.00 C ATOM 375 CG MET A 27 22.158 35.776 -4.828 1.00 25.00 C ATOM 376 SD MET A 27 21.287 34.416 -5.631 1.00 25.00 S ATOM 377 CE MET A 27 21.258 33.172 -4.297 1.00 25.00 C ATOM 0 H MET A 27 26.141 35.684 -4.764 1.00 25.00 H new ATOM 0 HA MET A 27 24.164 37.627 -4.314 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.027 35.659 -5.878 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.915 34.589 -4.495 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.820 35.861 -3.795 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.902 36.712 -5.325 1.00 25.00 H new ATOM 0 HE1 MET A 27 21.069 32.187 -4.723 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.219 33.167 -3.783 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.469 33.418 -3.587 1.00 25.00 H new ATOM 387 N LEU A 28 24.575 35.390 -1.924 1.00 25.00 N ATOM 388 CA LEU A 28 24.253 35.065 -0.544 1.00 25.00 C ATOM 389 C LEU A 28 24.709 36.154 0.407 1.00 25.00 C ATOM 390 O LEU A 28 23.994 36.512 1.329 1.00 25.00 O ATOM 391 CB LEU A 28 24.914 33.767 -0.166 1.00 25.00 C ATOM 392 CG LEU A 28 24.078 32.552 -0.541 1.00 25.00 C ATOM 393 CD1 LEU A 28 24.980 31.378 -0.591 1.00 25.00 C ATOM 394 CD2 LEU A 28 22.971 32.341 0.474 1.00 25.00 C ATOM 0 H LEU A 28 25.256 34.764 -2.355 1.00 25.00 H new ATOM 0 HA LEU A 28 23.170 34.976 -0.464 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.884 33.701 -0.658 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.100 33.758 0.908 1.00 25.00 H new ATOM 0 HG LEU A 28 23.606 32.699 -1.513 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.407 30.490 -0.858 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.756 31.547 -1.337 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.441 31.232 0.386 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.381 31.469 0.193 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.407 32.182 1.460 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.328 33.221 0.499 1.00 25.00 H new ATOM 406 N LEU A 29 25.890 36.698 0.160 1.00 25.00 N ATOM 407 CA LEU A 29 26.426 37.782 0.992 1.00 25.00 C ATOM 408 C LEU A 29 25.508 38.994 0.910 1.00 25.00 C ATOM 409 O LEU A 29 25.283 39.691 1.898 1.00 25.00 O ATOM 410 CB LEU A 29 27.832 38.184 0.521 1.00 25.00 C ATOM 411 CG LEU A 29 28.995 37.273 0.946 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.230 37.574 0.096 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.326 37.442 2.428 1.00 25.00 C ATOM 0 H LEU A 29 26.500 36.413 -0.606 1.00 25.00 H new ATOM 0 HA LEU A 29 26.485 37.428 2.021 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.823 38.237 -0.568 1.00 25.00 H new ATOM 0 HB3 LEU A 29 28.038 39.190 0.887 1.00 25.00 H new ATOM 0 HG LEU A 29 28.688 36.239 0.788 1.00 25.00 H new ATOM 0 HD11 LEU A 29 31.050 36.925 0.403 1.00 25.00 H new ATOM 0 HD12 LEU A 29 30.001 37.397 -0.955 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.521 38.615 0.233 1.00 25.00 H new ATOM 0 HD21 LEU A 29 30.153 36.783 2.694 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.610 38.476 2.622 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.452 37.187 3.027 1.00 25.00 H new ATOM 425 N ALA A 30 24.975 39.228 -0.276 1.00 25.00 N ATOM 426 CA ALA A 30 24.085 40.357 -0.520 1.00 25.00 C ATOM 427 C ALA A 30 22.641 40.094 -0.059 1.00 25.00 C ATOM 428 O ALA A 30 21.830 41.020 -0.011 1.00 25.00 O ATOM 429 CB ALA A 30 24.100 40.694 -2.018 1.00 25.00 C ATOM 0 H ALA A 30 25.144 38.645 -1.096 1.00 25.00 H new ATOM 0 HA ALA A 30 24.454 41.197 0.069 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.436 41.538 -2.208 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.114 40.954 -2.322 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.760 39.830 -2.589 1.00 25.00 H new ATOM 435 N ASN A 31 22.300 38.844 0.231 1.00 25.00 N ATOM 436 CA ASN A 31 20.916 38.486 0.545 1.00 25.00 C ATOM 437 C ASN A 31 20.726 38.078 2.009 1.00 25.00 C ATOM 438 O ASN A 31 20.994 36.934 2.382 1.00 25.00 O ATOM 439 CB ASN A 31 20.463 37.346 -0.364 1.00 25.00 C ATOM 440 CG ASN A 31 18.973 37.191 -0.388 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.304 37.264 0.640 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.435 36.989 -1.557 1.00 25.00 N ATOM 0 H ASN A 31 22.956 38.063 0.256 1.00 25.00 H new ATOM 0 HA ASN A 31 20.309 39.375 0.376 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.823 37.528 -1.377 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.917 36.414 -0.027 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.424 36.885 -1.642 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.025 36.935 -2.387 1.00 25.00 H new ATOM 449 N PRO A 32 20.211 38.991 2.850 1.00 25.00 N ATOM 450 CA PRO A 32 20.081 38.636 4.269 1.00 25.00 C ATOM 451 C PRO A 32 19.092 37.503 4.573 1.00 25.00 C ATOM 452 O PRO A 32 19.231 36.814 5.576 1.00 25.00 O ATOM 453 CB PRO A 32 19.634 39.955 4.908 1.00 25.00 C ATOM 454 CG PRO A 32 18.936 40.675 3.808 1.00 25.00 C ATOM 455 CD PRO A 32 19.759 40.372 2.602 1.00 25.00 C ATOM 0 HA PRO A 32 21.017 38.234 4.657 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.970 39.782 5.755 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.485 40.526 5.281 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.910 40.326 3.690 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.888 41.747 4.000 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.175 40.447 1.685 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.598 41.060 2.502 1.00 25.00 H new ATOM 463 N HIS A 33 18.101 37.298 3.716 1.00 25.00 N ATOM 464 CA HIS A 33 17.137 36.218 3.921 1.00 25.00 C ATOM 465 C HIS A 33 17.741 34.864 3.558 1.00 25.00 C ATOM 466 O HIS A 33 17.553 33.869 4.256 1.00 25.00 O ATOM 467 CB HIS A 33 15.893 36.459 3.060 1.00 25.00 C ATOM 468 CG HIS A 33 14.825 35.429 3.250 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.846 35.495 4.211 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.587 34.262 2.585 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.080 34.414 4.099 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.485 33.627 3.124 1.00 25.00 N ATOM 0 H HIS A 33 17.941 37.858 2.879 1.00 25.00 H new ATOM 0 HA HIS A 33 16.864 36.208 4.976 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.484 37.442 3.294 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.186 36.477 2.010 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.174 33.889 1.759 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.229 34.207 4.731 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.074 32.741 2.830 1.00 25.00 H new ATOM 480 N GLU A 34 18.450 34.828 2.444 1.00 25.00 N ATOM 481 CA GLU A 34 18.987 33.577 1.914 1.00 25.00 C ATOM 482 C GLU A 34 20.167 33.139 2.767 1.00 25.00 C ATOM 483 O GLU A 34 20.304 31.981 3.115 1.00 25.00 O ATOM 484 CB GLU A 34 19.401 33.768 0.455 1.00 25.00 C ATOM 485 CG GLU A 34 18.411 33.207 -0.561 1.00 25.00 C ATOM 486 CD GLU A 34 18.404 31.678 -0.615 1.00 25.00 C ATOM 487 OE1 GLU A 34 19.373 31.043 -0.147 1.00 25.00 O ATOM 488 OE2 GLU A 34 17.411 31.114 -1.123 1.00 25.00 O ATOM 0 H GLU A 34 18.671 35.651 1.884 1.00 25.00 H new ATOM 0 HA GLU A 34 18.224 32.799 1.948 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.534 34.833 0.264 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.370 33.293 0.300 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.409 33.560 -0.316 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.654 33.598 -1.549 1.00 25.00 H new ATOM 495 N LEU A 35 20.971 34.091 3.201 1.00 25.00 N ATOM 496 CA LEU A 35 22.079 33.783 4.092 1.00 25.00 C ATOM 497 C LEU A 35 21.568 33.219 5.422 1.00 25.00 C ATOM 498 O LEU A 35 22.243 32.433 6.076 1.00 25.00 O ATOM 499 CB LEU A 35 22.968 34.998 4.241 1.00 25.00 C ATOM 500 CG LEU A 35 22.749 36.121 5.249 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.927 35.743 6.708 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.774 37.149 4.854 1.00 25.00 C ATOM 0 H LEU A 35 20.881 35.077 2.955 1.00 25.00 H new ATOM 0 HA LEU A 35 22.697 32.995 3.661 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.970 34.615 4.432 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.991 35.475 3.261 1.00 25.00 H new ATOM 0 HG LEU A 35 21.712 36.454 5.207 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.748 36.617 7.335 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.218 34.957 6.969 1.00 25.00 H new ATOM 0 HD13 LEU A 35 23.943 35.383 6.869 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.703 38.008 5.521 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.771 36.715 4.926 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.591 37.470 3.828 1.00 25.00 H new ATOM 514 N SER A 36 20.375 33.648 5.817 1.00 25.00 N ATOM 515 CA SER A 36 19.743 33.221 7.068 1.00 25.00 C ATOM 516 C SER A 36 19.205 31.798 6.957 1.00 25.00 C ATOM 517 O SER A 36 19.351 30.999 7.873 1.00 25.00 O ATOM 518 CB SER A 36 18.606 34.171 7.445 1.00 25.00 C ATOM 519 OG SER A 36 18.117 33.878 8.742 1.00 25.00 O ATOM 0 H SER A 36 19.812 34.306 5.278 1.00 25.00 H new ATOM 0 HA SER A 36 20.505 33.244 7.847 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.959 35.201 7.409 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.798 34.085 6.718 1.00 25.00 H new ATOM 0 HG SER A 36 17.391 34.497 8.966 1.00 25.00 H new ATOM 525 N LEU A 37 18.628 31.450 5.819 1.00 25.00 N ATOM 526 CA LEU A 37 18.164 30.080 5.624 1.00 25.00 C ATOM 527 C LEU A 37 19.346 29.193 5.528 1.00 25.00 C ATOM 528 O LEU A 37 19.321 28.059 5.942 1.00 25.00 O ATOM 529 CB LEU A 37 17.272 29.955 4.405 1.00 25.00 C ATOM 530 CG LEU A 37 17.687 29.969 2.929 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.357 28.697 2.470 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.413 30.190 2.110 1.00 25.00 C ATOM 0 H LEU A 37 18.470 32.078 5.031 1.00 25.00 H new ATOM 0 HA LEU A 37 17.553 29.782 6.476 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.734 29.017 4.541 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.542 30.758 4.503 1.00 25.00 H new ATOM 0 HG LEU A 37 18.424 30.760 2.791 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.620 28.784 1.416 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.260 28.529 3.057 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.675 27.857 2.605 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.661 30.207 1.049 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.710 29.380 2.305 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.959 31.140 2.392 1.00 25.00 H new ATOM 544 N LEU A 38 20.396 29.723 4.958 1.00 25.00 N ATOM 545 CA LEU A 38 21.599 28.969 4.773 1.00 25.00 C ATOM 546 C LEU A 38 22.236 28.559 6.084 1.00 25.00 C ATOM 547 O LEU A 38 22.627 27.423 6.241 1.00 25.00 O ATOM 548 CB LEU A 38 22.542 29.796 3.944 1.00 25.00 C ATOM 549 CG LEU A 38 23.802 29.030 3.521 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.435 27.911 2.585 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.819 29.939 2.882 1.00 25.00 C ATOM 0 H LEU A 38 20.438 30.682 4.613 1.00 25.00 H new ATOM 0 HA LEU A 38 21.359 28.038 4.260 1.00 25.00 H new ATOM 0 HB2 LEU A 38 22.021 30.147 3.053 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.835 30.680 4.511 1.00 25.00 H new ATOM 0 HG LEU A 38 24.257 28.612 4.419 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.336 27.373 2.290 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.751 27.226 3.087 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.951 28.322 1.699 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.697 29.359 2.596 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.386 30.403 1.996 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.111 30.714 3.591 1.00 25.00 H new ATOM 563 N LYS A 39 22.294 29.455 7.052 1.00 25.00 N ATOM 564 CA LYS A 39 22.811 29.076 8.380 1.00 25.00 C ATOM 565 C LYS A 39 21.884 28.117 9.114 1.00 25.00 C ATOM 566 O LYS A 39 22.347 27.341 9.937 1.00 25.00 O ATOM 567 CB LYS A 39 23.145 30.292 9.254 1.00 25.00 C ATOM 568 CG LYS A 39 22.100 31.393 9.256 1.00 25.00 C ATOM 569 CD LYS A 39 22.412 32.505 10.245 1.00 25.00 C ATOM 570 CE LYS A 39 23.590 33.356 9.766 1.00 25.00 C ATOM 571 NZ LYS A 39 23.855 34.501 10.699 1.00 25.00 N ATOM 0 H LYS A 39 22.001 30.428 6.962 1.00 25.00 H new ATOM 0 HA LYS A 39 23.745 28.548 8.190 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.294 29.953 10.279 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.092 30.713 8.917 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.024 31.816 8.254 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.127 30.963 9.496 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.533 33.136 10.376 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.643 32.075 11.219 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.482 32.734 9.689 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.381 33.740 8.767 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.659 35.058 10.346 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.012 35.107 10.753 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.078 34.133 11.646 1.00 25.00 H new ATOM 585 N GLU A 40 20.599 28.148 8.807 1.00 25.00 N ATOM 586 CA GLU A 40 19.653 27.220 9.425 1.00 25.00 C ATOM 587 C GLU A 40 19.739 25.837 8.762 1.00 25.00 C ATOM 588 O GLU A 40 19.905 24.825 9.432 1.00 25.00 O ATOM 589 CB GLU A 40 18.231 27.792 9.309 1.00 25.00 C ATOM 590 CG GLU A 40 17.172 27.063 10.152 1.00 25.00 C ATOM 591 CD GLU A 40 16.484 25.909 9.418 1.00 25.00 C ATOM 592 OE1 GLU A 40 16.179 26.052 8.207 1.00 25.00 O ATOM 593 OE2 GLU A 40 16.170 24.895 10.075 1.00 25.00 O ATOM 0 H GLU A 40 20.184 28.798 8.140 1.00 25.00 H new ATOM 0 HA GLU A 40 19.905 27.099 10.479 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.251 28.841 9.605 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.926 27.761 8.263 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.644 26.677 11.056 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.416 27.781 10.469 1.00 25.00 H new ATOM 600 N ARG A 41 19.641 25.805 7.439 1.00 25.00 N ATOM 601 CA ARG A 41 19.631 24.534 6.689 1.00 25.00 C ATOM 602 C ARG A 41 20.991 23.912 6.436 1.00 25.00 C ATOM 603 O ARG A 41 21.116 22.695 6.343 1.00 25.00 O ATOM 604 CB ARG A 41 18.962 24.752 5.334 1.00 25.00 C ATOM 605 CG ARG A 41 17.554 25.233 5.480 1.00 25.00 C ATOM 606 CD ARG A 41 16.858 25.373 4.158 1.00 25.00 C ATOM 607 NE ARG A 41 15.549 26.013 4.356 1.00 25.00 N ATOM 608 CZ ARG A 41 14.767 26.478 3.390 1.00 25.00 C ATOM 609 NH1 ARG A 41 15.094 26.405 2.122 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.632 27.034 3.711 1.00 25.00 N ATOM 0 H ARG A 41 19.567 26.638 6.855 1.00 25.00 H new ATOM 0 HA ARG A 41 19.086 23.839 7.328 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.536 25.478 4.758 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.971 23.819 4.770 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.998 24.537 6.108 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.553 26.195 5.992 1.00 25.00 H new ATOM 0 HD2 ARG A 41 17.466 25.968 3.477 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.729 24.393 3.698 1.00 25.00 H new ATOM 0 HE ARG A 41 15.215 26.107 5.315 1.00 25.00 H new ATOM 0 HH11 ARG A 41 15.979 25.978 1.847 1.00 25.00 H new ATOM 0 HH12 ARG A 41 14.464 26.775 1.411 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.358 27.106 4.691 1.00 25.00 H new ATOM 0 HH22 ARG A 41 13.018 27.397 2.982 1.00 25.00 H new ATOM 624 N ASN A 42 21.992 24.749 6.242 1.00 25.00 N ATOM 625 CA ASN A 42 23.345 24.289 5.909 1.00 25.00 C ATOM 626 C ASN A 42 24.440 25.040 6.668 1.00 25.00 C ATOM 627 O ASN A 42 25.246 25.762 6.059 1.00 25.00 O ATOM 628 CB ASN A 42 23.601 24.453 4.408 1.00 25.00 C ATOM 629 CG ASN A 42 24.641 23.501 3.897 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.245 22.760 4.651 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.854 23.505 2.615 1.00 25.00 N ATOM 0 H ASN A 42 21.901 25.763 6.308 1.00 25.00 H new ATOM 0 HA ASN A 42 23.390 23.241 6.204 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.670 24.295 3.864 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.919 25.476 4.206 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.546 22.874 2.211 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.329 24.140 2.013 1.00 25.00 H new ATOM 638 N PRO A 43 24.512 24.871 8.000 1.00 25.00 N ATOM 639 CA PRO A 43 25.556 25.628 8.705 1.00 25.00 C ATOM 640 C PRO A 43 27.015 25.498 8.203 1.00 25.00 C ATOM 641 O PRO A 43 27.727 26.502 8.209 1.00 25.00 O ATOM 642 CB PRO A 43 25.398 25.174 10.166 1.00 25.00 C ATOM 643 CG PRO A 43 24.609 23.905 10.107 1.00 25.00 C ATOM 644 CD PRO A 43 23.701 24.065 8.933 1.00 25.00 C ATOM 0 HA PRO A 43 25.402 26.693 8.531 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.369 25.011 10.633 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.882 25.930 10.758 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.262 23.040 9.985 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.042 23.750 11.025 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.425 23.103 8.501 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.774 24.571 9.204 1.00 25.00 H new ATOM 652 N PRO A 44 27.469 24.317 7.703 1.00 25.00 N ATOM 653 CA PRO A 44 28.855 24.410 7.215 1.00 25.00 C ATOM 654 C PRO A 44 29.071 25.266 5.946 1.00 25.00 C ATOM 655 O PRO A 44 30.135 25.859 5.786 1.00 25.00 O ATOM 656 CB PRO A 44 29.230 22.948 6.970 1.00 25.00 C ATOM 657 CG PRO A 44 27.962 22.297 6.642 1.00 25.00 C ATOM 658 CD PRO A 44 26.957 22.938 7.550 1.00 25.00 C ATOM 0 HA PRO A 44 29.478 24.931 7.942 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.948 22.853 6.155 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.689 22.502 7.853 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.700 22.446 5.594 1.00 25.00 H new ATOM 0 HG3 PRO A 44 28.015 21.221 6.808 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.957 22.926 7.116 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.895 22.423 8.509 1.00 25.00 H new ATOM 666 N LEU A 45 28.089 25.377 5.051 1.00 25.00 N ATOM 667 CA LEU A 45 28.260 26.273 3.899 1.00 25.00 C ATOM 668 C LEU A 45 28.092 27.694 4.391 1.00 25.00 C ATOM 669 O LEU A 45 28.734 28.624 3.915 1.00 25.00 O ATOM 670 CB LEU A 45 27.246 25.999 2.790 1.00 25.00 C ATOM 671 CG LEU A 45 27.495 26.759 1.467 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.898 26.502 0.890 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.454 26.340 0.439 1.00 25.00 C ATOM 0 H LEU A 45 27.199 24.881 5.092 1.00 25.00 H new ATOM 0 HA LEU A 45 29.250 26.106 3.474 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.241 24.929 2.580 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.252 26.256 3.157 1.00 25.00 H new ATOM 0 HG LEU A 45 27.419 27.823 1.689 1.00 25.00 H new ATOM 0 HD11 LEU A 45 29.017 27.060 -0.038 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.652 26.826 1.608 1.00 25.00 H new ATOM 0 HD13 LEU A 45 29.020 25.437 0.691 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.628 26.875 -0.494 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.529 25.267 0.262 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.458 26.577 0.812 1.00 25.00 H new ATOM 685 N ALA A 46 27.226 27.856 5.373 1.00 25.00 N ATOM 686 CA ALA A 46 27.009 29.171 5.943 1.00 25.00 C ATOM 687 C ALA A 46 28.273 29.742 6.577 1.00 25.00 C ATOM 688 O ALA A 46 28.611 30.871 6.297 1.00 25.00 O ATOM 689 CB ALA A 46 25.910 29.124 6.942 1.00 25.00 C ATOM 0 H ALA A 46 26.670 27.108 5.787 1.00 25.00 H new ATOM 0 HA ALA A 46 26.728 29.835 5.126 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.758 30.118 7.362 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.992 28.790 6.458 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.173 28.429 7.740 1.00 25.00 H new ATOM 695 N GLU A 47 28.969 28.988 7.422 1.00 25.00 N ATOM 696 CA GLU A 47 30.169 29.522 8.096 1.00 25.00 C ATOM 697 C GLU A 47 31.238 29.902 7.073 1.00 25.00 C ATOM 698 O GLU A 47 31.967 30.888 7.242 1.00 25.00 O ATOM 699 CB GLU A 47 30.733 28.540 9.130 1.00 25.00 C ATOM 700 CG GLU A 47 31.255 27.238 8.558 1.00 25.00 C ATOM 701 CD GLU A 47 32.043 26.451 9.576 1.00 25.00 C ATOM 702 OE1 GLU A 47 31.451 25.620 10.292 1.00 25.00 O ATOM 703 OE2 GLU A 47 33.276 26.683 9.661 1.00 25.00 O ATOM 0 H GLU A 47 28.737 28.023 7.660 1.00 25.00 H new ATOM 0 HA GLU A 47 29.865 30.420 8.635 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.541 29.031 9.672 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.953 28.313 9.857 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.418 26.636 8.203 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.886 27.448 7.694 1.00 25.00 H new ATOM 710 N ALA A 48 31.279 29.160 5.978 1.00 25.00 N ATOM 711 CA ALA A 48 32.137 29.451 4.871 1.00 25.00 C ATOM 712 C ALA A 48 31.846 30.822 4.284 1.00 25.00 C ATOM 713 O ALA A 48 32.759 31.607 4.021 1.00 25.00 O ATOM 714 CB ALA A 48 31.960 28.360 3.827 1.00 25.00 C ATOM 0 H ALA A 48 30.703 28.329 5.844 1.00 25.00 H new ATOM 0 HA ALA A 48 33.172 29.472 5.212 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.607 28.564 2.974 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.225 27.395 4.260 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.921 28.337 3.497 1.00 25.00 H new ATOM 720 N LEU A 49 30.569 31.119 4.129 1.00 25.00 N ATOM 721 CA LEU A 49 30.141 32.401 3.610 1.00 25.00 C ATOM 722 C LEU A 49 30.495 33.523 4.584 1.00 25.00 C ATOM 723 O LEU A 49 30.934 34.589 4.174 1.00 25.00 O ATOM 724 CB LEU A 49 28.622 32.381 3.419 1.00 25.00 C ATOM 725 CG LEU A 49 28.030 33.619 2.749 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.138 33.469 1.255 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.583 33.797 3.181 1.00 25.00 C ATOM 0 H LEU A 49 29.806 30.482 4.358 1.00 25.00 H new ATOM 0 HA LEU A 49 30.647 32.580 2.661 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.359 31.506 2.824 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.152 32.257 4.394 1.00 25.00 H new ATOM 0 HG LEU A 49 28.582 34.509 3.051 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.717 34.350 0.770 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.186 33.366 0.974 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.589 32.582 0.938 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.166 34.682 2.700 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.006 32.919 2.890 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.539 33.918 4.263 1.00 25.00 H new ATOM 739 N LEU A 50 30.302 33.273 5.877 1.00 25.00 N ATOM 740 CA LEU A 50 30.526 34.303 6.904 1.00 25.00 C ATOM 741 C LEU A 50 31.986 34.715 6.943 1.00 25.00 C ATOM 742 O LEU A 50 32.320 35.846 7.269 1.00 25.00 O ATOM 743 CB LEU A 50 30.155 33.801 8.311 1.00 25.00 C ATOM 744 CG LEU A 50 28.811 33.100 8.549 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.567 32.935 10.033 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.629 33.774 7.868 1.00 25.00 C ATOM 0 H LEU A 50 29.993 32.373 6.243 1.00 25.00 H new ATOM 0 HA LEU A 50 29.890 35.146 6.634 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.939 33.113 8.626 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.196 34.659 8.982 1.00 25.00 H new ATOM 0 HG LEU A 50 28.888 32.119 8.080 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.611 32.437 10.191 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.366 32.335 10.468 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.549 33.915 10.510 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.718 33.217 8.086 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.528 34.794 8.239 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.793 33.795 6.791 1.00 25.00 H new ATOM 758 N SER A 51 32.854 33.766 6.629 1.00 25.00 N ATOM 759 CA SER A 51 34.278 33.997 6.636 1.00 25.00 C ATOM 760 C SER A 51 34.717 34.845 5.444 1.00 25.00 C ATOM 761 O SER A 51 35.775 35.459 5.466 1.00 25.00 O ATOM 762 CB SER A 51 34.975 32.662 6.566 1.00 25.00 C ATOM 763 OG SER A 51 34.583 31.815 7.639 1.00 25.00 O ATOM 0 H SER A 51 32.586 32.818 6.364 1.00 25.00 H new ATOM 0 HA SER A 51 34.538 34.535 7.548 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.745 32.179 5.616 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.054 32.811 6.594 1.00 25.00 H new ATOM 0 HG SER A 51 33.667 31.500 7.489 1.00 25.00 H new ATOM 769 N GLY A 52 33.923 34.818 4.377 1.00 25.00 N ATOM 770 CA GLY A 52 34.242 35.561 3.165 1.00 25.00 C ATOM 771 C GLY A 52 35.196 34.809 2.255 1.00 25.00 C ATOM 772 O GLY A 52 35.397 35.182 1.097 1.00 25.00 O ATOM 0 H GLY A 52 33.053 34.288 4.329 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.322 35.777 2.622 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.684 36.520 3.436 1.00 25.00 H new ATOM 776 N ASP A 53 35.782 33.742 2.779 1.00 25.00 N ATOM 777 CA ASP A 53 36.743 32.935 2.032 1.00 25.00 C ATOM 778 C ASP A 53 36.058 32.153 0.919 1.00 25.00 C ATOM 779 O ASP A 53 35.302 31.212 1.180 1.00 25.00 O ATOM 780 CB ASP A 53 37.430 31.917 2.939 1.00 25.00 C ATOM 781 CG ASP A 53 38.509 31.166 2.223 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.973 31.647 1.169 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.833 30.049 2.662 1.00 25.00 O ATOM 0 H ASP A 53 35.608 33.411 3.728 1.00 25.00 H new ATOM 0 HA ASP A 53 37.472 33.631 1.617 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.856 32.429 3.802 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.690 31.213 3.320 1.00 25.00 H new ATOM 788 N LEU A 54 36.351 32.502 -0.324 1.00 25.00 N ATOM 789 CA LEU A 54 35.805 31.764 -1.452 1.00 25.00 C ATOM 790 C LEU A 54 36.324 30.331 -1.429 1.00 25.00 C ATOM 791 O LEU A 54 35.594 29.418 -1.747 1.00 25.00 O ATOM 792 CB LEU A 54 36.181 32.430 -2.775 1.00 25.00 C ATOM 793 CG LEU A 54 35.605 31.830 -4.079 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.495 30.737 -4.672 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.156 31.319 -3.958 1.00 25.00 C ATOM 0 H LEU A 54 36.957 33.283 -0.576 1.00 25.00 H new ATOM 0 HA LEU A 54 34.718 31.760 -1.367 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.872 33.474 -2.723 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.268 32.423 -2.856 1.00 25.00 H new ATOM 0 HG LEU A 54 35.587 32.677 -4.765 1.00 25.00 H new ATOM 0 HD11 LEU A 54 36.040 30.353 -5.585 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.476 31.152 -4.902 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.604 29.926 -3.952 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.831 30.915 -4.917 1.00 25.00 H new ATOM 0 HD22 LEU A 54 34.108 30.537 -3.200 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.502 32.143 -3.671 1.00 25.00 H new ATOM 807 N GLU A 55 37.572 30.122 -1.038 1.00 25.00 N ATOM 808 CA GLU A 55 38.125 28.763 -1.003 1.00 25.00 C ATOM 809 C GLU A 55 37.282 27.873 -0.122 1.00 25.00 C ATOM 810 O GLU A 55 36.823 26.823 -0.557 1.00 25.00 O ATOM 811 CB GLU A 55 39.535 28.745 -0.438 1.00 25.00 C ATOM 812 CG GLU A 55 40.585 29.162 -1.390 1.00 25.00 C ATOM 813 CD GLU A 55 41.063 27.998 -2.249 1.00 25.00 C ATOM 814 OE1 GLU A 55 41.624 27.023 -1.687 1.00 25.00 O ATOM 815 OE2 GLU A 55 40.826 28.025 -3.472 1.00 25.00 O ATOM 0 H GLU A 55 38.216 30.856 -0.744 1.00 25.00 H new ATOM 0 HA GLU A 55 38.133 28.404 -2.032 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.572 29.400 0.433 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.759 27.737 -0.089 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.200 29.954 -2.032 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.429 29.579 -0.841 1.00 25.00 H new ATOM 822 N LYS A 56 37.068 28.279 1.122 1.00 25.00 N ATOM 823 CA LYS A 56 36.269 27.454 2.030 1.00 25.00 C ATOM 824 C LYS A 56 34.834 27.362 1.531 1.00 25.00 C ATOM 825 O LYS A 56 34.261 26.289 1.562 1.00 25.00 O ATOM 826 CB LYS A 56 36.389 27.896 3.510 1.00 25.00 C ATOM 827 CG LYS A 56 35.501 28.920 4.011 1.00 25.00 C ATOM 828 CD LYS A 56 36.022 29.419 5.374 1.00 25.00 C ATOM 829 CE LYS A 56 35.382 28.659 6.551 1.00 25.00 C ATOM 830 NZ LYS A 56 35.871 29.105 7.900 1.00 25.00 N ATOM 0 H LYS A 56 37.423 29.148 1.521 1.00 25.00 H new ATOM 0 HA LYS A 56 36.678 26.444 2.021 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.252 27.010 4.130 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.411 28.241 3.668 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.445 29.748 3.304 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.491 28.523 4.117 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.105 29.302 5.413 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.813 30.484 5.474 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.300 28.785 6.507 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.584 27.594 6.436 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.503 28.464 8.632 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.911 29.088 7.915 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.538 30.072 8.088 1.00 25.00 H new ATOM 844 N PHE A 57 34.278 28.439 0.990 1.00 25.00 N ATOM 845 CA PHE A 57 32.930 28.375 0.425 1.00 25.00 C ATOM 846 C PHE A 57 32.833 27.357 -0.709 1.00 25.00 C ATOM 847 O PHE A 57 31.994 26.475 -0.664 1.00 25.00 O ATOM 848 CB PHE A 57 32.476 29.756 -0.046 1.00 25.00 C ATOM 849 CG PHE A 57 31.049 29.785 -0.519 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.003 30.033 0.391 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.735 29.547 -1.871 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.654 30.039 -0.042 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.388 29.545 -2.310 1.00 25.00 C ATOM 854 CZ PHE A 57 28.350 29.792 -1.397 1.00 25.00 C ATOM 0 H PHE A 57 34.727 29.353 0.929 1.00 25.00 H new ATOM 0 HA PHE A 57 32.261 28.040 1.218 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.595 30.468 0.771 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.126 30.088 -0.855 1.00 25.00 H new ATOM 0 HD1 PHE A 57 30.232 30.221 1.430 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.529 29.364 -2.580 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.860 30.232 0.664 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.159 29.353 -3.348 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.323 29.793 -1.731 1.00 25.00 H new ATOM 864 N SER A 58 33.704 27.458 -1.700 1.00 25.00 N ATOM 865 CA SER A 58 33.694 26.547 -2.840 1.00 25.00 C ATOM 866 C SER A 58 33.992 25.112 -2.435 1.00 25.00 C ATOM 867 O SER A 58 33.339 24.189 -2.885 1.00 25.00 O ATOM 868 CB SER A 58 34.740 27.003 -3.861 1.00 25.00 C ATOM 869 OG SER A 58 34.724 26.174 -5.007 1.00 25.00 O ATOM 0 H SER A 58 34.435 28.168 -1.740 1.00 25.00 H new ATOM 0 HA SER A 58 32.693 26.571 -3.270 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.544 28.035 -4.152 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.730 26.982 -3.406 1.00 25.00 H new ATOM 0 HG SER A 58 35.399 26.485 -5.645 1.00 25.00 H new ATOM 875 N ARG A 59 34.967 24.917 -1.568 1.00 25.00 N ATOM 876 CA ARG A 59 35.352 23.577 -1.139 1.00 25.00 C ATOM 877 C ARG A 59 34.208 22.867 -0.438 1.00 25.00 C ATOM 878 O ARG A 59 33.915 21.712 -0.714 1.00 25.00 O ATOM 879 CB ARG A 59 36.528 23.721 -0.195 1.00 25.00 C ATOM 880 CG ARG A 59 37.149 22.432 0.275 1.00 25.00 C ATOM 881 CD ARG A 59 38.072 22.736 1.440 1.00 25.00 C ATOM 882 NE ARG A 59 38.966 23.878 1.147 1.00 25.00 N ATOM 883 CZ ARG A 59 40.069 23.840 0.401 1.00 25.00 C ATOM 884 NH1 ARG A 59 40.521 22.735 -0.139 1.00 25.00 N ATOM 885 NH2 ARG A 59 40.713 24.949 0.185 1.00 25.00 N ATOM 0 H ARG A 59 35.511 25.668 -1.143 1.00 25.00 H new ATOM 0 HA ARG A 59 35.617 22.976 -2.009 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.297 24.314 -0.690 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.202 24.286 0.678 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.375 21.728 0.580 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.706 21.962 -0.536 1.00 25.00 H new ATOM 0 HD2 ARG A 59 37.478 22.957 2.327 1.00 25.00 H new ATOM 0 HD3 ARG A 59 38.671 21.855 1.669 1.00 25.00 H new ATOM 0 HE ARG A 59 38.714 24.779 1.554 1.00 25.00 H new ATOM 0 HH11 ARG A 59 40.023 21.856 0.005 1.00 25.00 H new ATOM 0 HH12 ARG A 59 41.370 22.753 -0.703 1.00 25.00 H new ATOM 0 HH21 ARG A 59 40.371 25.823 0.584 1.00 25.00 H new ATOM 0 HH22 ARG A 59 41.560 24.944 -0.383 1.00 25.00 H new ATOM 899 N VAL A 60 33.545 23.575 0.456 1.00 25.00 N ATOM 900 CA VAL A 60 32.420 23.022 1.186 1.00 25.00 C ATOM 901 C VAL A 60 31.252 22.816 0.221 1.00 25.00 C ATOM 902 O VAL A 60 30.508 21.838 0.327 1.00 25.00 O ATOM 903 CB VAL A 60 32.033 23.959 2.353 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.783 23.498 2.992 1.00 25.00 C ATOM 905 CG2 VAL A 60 33.156 23.990 3.404 1.00 25.00 C ATOM 0 H VAL A 60 33.768 24.541 0.696 1.00 25.00 H new ATOM 0 HA VAL A 60 32.690 22.057 1.615 1.00 25.00 H new ATOM 0 HB VAL A 60 31.883 24.961 1.951 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.525 24.169 3.812 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.978 23.496 2.257 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.923 22.489 3.379 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.872 24.653 4.221 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.318 22.985 3.793 1.00 25.00 H new ATOM 0 HG23 VAL A 60 34.075 24.354 2.944 1.00 25.00 H new ATOM 915 N LEU A 61 31.126 23.701 -0.757 1.00 25.00 N ATOM 916 CA LEU A 61 30.105 23.558 -1.785 1.00 25.00 C ATOM 917 C LEU A 61 30.288 22.233 -2.530 1.00 25.00 C ATOM 918 O LEU A 61 29.319 21.547 -2.787 1.00 25.00 O ATOM 919 CB LEU A 61 30.184 24.726 -2.773 1.00 25.00 C ATOM 920 CG LEU A 61 28.948 24.974 -3.639 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.128 26.074 -3.010 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.319 25.384 -5.055 1.00 25.00 C ATOM 0 H LEU A 61 31.718 24.525 -0.861 1.00 25.00 H new ATOM 0 HA LEU A 61 29.125 23.563 -1.307 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.394 25.635 -2.210 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.035 24.557 -3.433 1.00 25.00 H new ATOM 0 HG LEU A 61 28.382 24.044 -3.696 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.243 26.261 -3.618 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.823 25.773 -2.008 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.725 26.984 -2.949 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.411 25.550 -5.635 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.904 26.303 -5.026 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.908 24.593 -5.520 1.00 25.00 H new ATOM 934 N VAL A 62 31.526 21.854 -2.838 1.00 25.00 N ATOM 935 CA VAL A 62 31.798 20.565 -3.507 1.00 25.00 C ATOM 936 C VAL A 62 31.394 19.406 -2.608 1.00 25.00 C ATOM 937 O VAL A 62 30.759 18.451 -3.055 1.00 25.00 O ATOM 938 CB VAL A 62 33.313 20.383 -3.854 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.578 18.990 -4.469 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.768 21.451 -4.824 1.00 25.00 C ATOM 0 H VAL A 62 32.358 22.410 -2.641 1.00 25.00 H new ATOM 0 HA VAL A 62 31.216 20.571 -4.429 1.00 25.00 H new ATOM 0 HB VAL A 62 33.876 20.473 -2.925 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.638 18.890 -4.701 1.00 25.00 H new ATOM 0 HG12 VAL A 62 33.288 18.217 -3.757 1.00 25.00 H new ATOM 0 HG13 VAL A 62 32.995 18.879 -5.383 1.00 25.00 H new ATOM 0 HG21 VAL A 62 34.824 21.308 -5.053 1.00 25.00 H new ATOM 0 HG22 VAL A 62 33.184 21.381 -5.742 1.00 25.00 H new ATOM 0 HG23 VAL A 62 33.624 22.434 -4.376 1.00 25.00 H new ATOM 950 N GLU A 63 31.747 19.494 -1.338 1.00 25.00 N ATOM 951 CA GLU A 63 31.408 18.441 -0.374 1.00 25.00 C ATOM 952 C GLU A 63 29.890 18.229 -0.345 1.00 25.00 C ATOM 953 O GLU A 63 29.395 17.101 -0.421 1.00 25.00 O ATOM 954 CB GLU A 63 31.928 18.814 1.023 1.00 25.00 C ATOM 955 CG GLU A 63 33.448 18.769 1.154 1.00 25.00 C ATOM 956 CD GLU A 63 33.998 17.357 1.050 1.00 25.00 C ATOM 957 OE1 GLU A 63 34.319 16.919 -0.077 1.00 25.00 O ATOM 958 OE2 GLU A 63 34.099 16.681 2.092 1.00 25.00 O ATOM 0 H GLU A 63 32.267 20.278 -0.943 1.00 25.00 H new ATOM 0 HA GLU A 63 31.885 17.510 -0.681 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.582 19.817 1.272 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.491 18.135 1.755 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.895 19.388 0.376 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.740 19.200 2.112 1.00 25.00 H new