USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=4 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 81:sc= 1.6 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 180:sc= 1.18 (180deg=0.801) USER MOD Single : A 27 MET CE :methyl -170:sc= -0.294 (180deg=-0.463) USER MOD Single : A 31 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.9!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -25:sc= 0.653 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.21 K(o=-0.21,f=-5.7!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.340 28.877 -7.520 1.00 25.00 N ATOM 273 CA PRO A 21 30.428 29.271 -6.110 1.00 25.00 C ATOM 274 C PRO A 21 30.812 30.730 -5.933 1.00 25.00 C ATOM 275 O PRO A 21 30.377 31.365 -4.994 1.00 25.00 O ATOM 276 CB PRO A 21 31.540 28.364 -5.558 1.00 25.00 C ATOM 277 CG PRO A 21 32.281 27.930 -6.735 1.00 25.00 C ATOM 278 CD PRO A 21 31.301 27.807 -7.831 1.00 25.00 C ATOM 0 HA PRO A 21 29.470 29.164 -5.602 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.182 28.904 -4.862 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.125 27.514 -5.015 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.059 28.650 -6.990 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.777 26.977 -6.551 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.764 27.949 -8.807 1.00 25.00 H new ATOM 0 HD3 PRO A 21 30.826 26.826 -7.843 1.00 25.00 H new ATOM 286 N ALA A 22 31.607 31.269 -6.848 1.00 25.00 N ATOM 287 CA ALA A 22 32.034 32.659 -6.753 1.00 25.00 C ATOM 288 C ALA A 22 30.837 33.608 -6.790 1.00 25.00 C ATOM 289 O ALA A 22 30.747 34.525 -5.986 1.00 25.00 O ATOM 290 CB ALA A 22 33.015 32.979 -7.883 1.00 25.00 C ATOM 0 H ALA A 22 31.968 30.768 -7.660 1.00 25.00 H new ATOM 0 HA ALA A 22 32.537 32.802 -5.797 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.331 34.019 -7.807 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.886 32.329 -7.804 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.528 32.817 -8.845 1.00 25.00 H new ATOM 296 N LEU A 23 29.920 33.366 -7.717 1.00 25.00 N ATOM 297 CA LEU A 23 28.746 34.222 -7.871 1.00 25.00 C ATOM 298 C LEU A 23 27.743 33.954 -6.758 1.00 25.00 C ATOM 299 O LEU A 23 27.064 34.855 -6.292 1.00 25.00 O ATOM 300 CB LEU A 23 28.058 33.967 -9.217 1.00 25.00 C ATOM 301 CG LEU A 23 28.902 34.065 -10.502 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.002 33.792 -11.710 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.590 35.403 -10.684 1.00 25.00 C ATOM 0 H LEU A 23 29.964 32.587 -8.373 1.00 25.00 H new ATOM 0 HA LEU A 23 29.085 35.257 -7.825 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.621 32.969 -9.182 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.233 34.674 -9.307 1.00 25.00 H new ATOM 0 HG LEU A 23 29.694 33.321 -10.415 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.591 33.859 -12.625 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.574 32.793 -11.626 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.200 34.529 -11.740 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.164 35.394 -11.610 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.841 36.194 -10.729 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.260 35.585 -9.844 1.00 25.00 H new ATOM 315 N LEU A 24 27.639 32.702 -6.341 1.00 25.00 N ATOM 316 CA LEU A 24 26.683 32.331 -5.305 1.00 25.00 C ATOM 317 C LEU A 24 27.080 32.912 -3.955 1.00 25.00 C ATOM 318 O LEU A 24 26.234 33.344 -3.197 1.00 25.00 O ATOM 319 CB LEU A 24 26.585 30.807 -5.208 1.00 25.00 C ATOM 320 CG LEU A 24 25.545 30.256 -4.215 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.173 30.911 -4.368 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.407 28.755 -4.376 1.00 25.00 C ATOM 0 H LEU A 24 28.200 31.929 -6.700 1.00 25.00 H new ATOM 0 HA LEU A 24 25.711 32.741 -5.578 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.355 30.414 -6.198 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.564 30.417 -4.930 1.00 25.00 H new ATOM 0 HG LEU A 24 25.913 30.495 -3.217 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.482 30.482 -3.642 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.261 31.984 -4.196 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.796 30.735 -5.375 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.669 28.379 -3.668 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.085 28.526 -5.392 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.368 28.279 -4.184 1.00 25.00 H new ATOM 334 N ARG A 25 28.378 32.941 -3.689 1.00 25.00 N ATOM 335 CA ARG A 25 28.937 33.476 -2.448 1.00 25.00 C ATOM 336 C ARG A 25 28.543 34.930 -2.397 1.00 25.00 C ATOM 337 O ARG A 25 28.071 35.439 -1.400 1.00 25.00 O ATOM 338 CB ARG A 25 30.471 33.300 -2.518 1.00 25.00 C ATOM 339 CG ARG A 25 31.306 33.807 -1.348 1.00 25.00 C ATOM 340 CD ARG A 25 31.644 35.291 -1.447 1.00 25.00 C ATOM 341 NE ARG A 25 32.321 35.668 -2.700 1.00 25.00 N ATOM 342 CZ ARG A 25 33.620 35.887 -2.850 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.487 35.754 -1.876 1.00 25.00 N ATOM 344 NH2 ARG A 25 34.050 36.261 -4.022 1.00 25.00 N ATOM 0 H ARG A 25 29.085 32.590 -4.335 1.00 25.00 H new ATOM 0 HA ARG A 25 28.574 32.971 -1.553 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.679 32.237 -2.640 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.823 33.800 -3.420 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.765 33.626 -0.419 1.00 25.00 H new ATOM 0 HG3 ARG A 25 32.231 33.233 -1.295 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.725 35.870 -1.354 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.280 35.565 -0.605 1.00 25.00 H new ATOM 0 HE ARG A 25 31.736 35.770 -3.529 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.172 35.469 -0.948 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.476 35.935 -2.046 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.393 36.378 -4.793 1.00 25.00 H new ATOM 0 HH22 ARG A 25 35.044 36.437 -4.168 1.00 25.00 H new ATOM 358 N ASP A 26 28.725 35.574 -3.527 1.00 25.00 N ATOM 359 CA ASP A 26 28.426 36.984 -3.688 1.00 25.00 C ATOM 360 C ASP A 26 26.931 37.300 -3.493 1.00 25.00 C ATOM 361 O ASP A 26 26.565 38.195 -2.735 1.00 25.00 O ATOM 362 CB ASP A 26 28.871 37.364 -5.089 1.00 25.00 C ATOM 363 CG ASP A 26 29.980 38.390 -5.086 1.00 25.00 C ATOM 364 OD1 ASP A 26 31.032 38.109 -4.453 1.00 25.00 O ATOM 365 OD2 ASP A 26 29.852 39.428 -5.761 1.00 25.00 O ATOM 0 H ASP A 26 29.089 35.132 -4.371 1.00 25.00 H new ATOM 0 HA ASP A 26 28.951 37.559 -2.925 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.209 36.471 -5.614 1.00 25.00 H new ATOM 0 HB3 ASP A 26 28.019 37.757 -5.643 1.00 25.00 H new ATOM 370 N MET A 27 26.077 36.524 -4.146 1.00 25.00 N ATOM 371 CA MET A 27 24.621 36.684 -4.059 1.00 25.00 C ATOM 372 C MET A 27 24.154 36.492 -2.637 1.00 25.00 C ATOM 373 O MET A 27 23.404 37.290 -2.104 1.00 25.00 O ATOM 374 CB MET A 27 23.943 35.637 -4.949 1.00 25.00 C ATOM 375 CG MET A 27 22.428 35.790 -5.092 1.00 25.00 C ATOM 376 SD MET A 27 21.413 35.247 -3.674 1.00 25.00 S ATOM 377 CE MET A 27 21.606 33.458 -3.696 1.00 25.00 C ATOM 0 H MET A 27 26.370 35.760 -4.755 1.00 25.00 H new ATOM 0 HA MET A 27 24.358 37.689 -4.389 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.392 35.680 -5.941 1.00 25.00 H new ATOM 0 HB3 MET A 27 24.156 34.647 -4.546 1.00 25.00 H new ATOM 0 HG2 MET A 27 22.209 36.840 -5.286 1.00 25.00 H new ATOM 0 HG3 MET A 27 22.111 35.230 -5.972 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.900 33.007 -2.998 1.00 25.00 H new ATOM 0 HE2 MET A 27 21.412 33.083 -4.701 1.00 25.00 H new ATOM 0 HE3 MET A 27 22.623 33.198 -3.402 1.00 25.00 H new ATOM 387 N LEU A 28 24.609 35.411 -2.033 1.00 25.00 N ATOM 388 CA LEU A 28 24.236 35.062 -0.679 1.00 25.00 C ATOM 389 C LEU A 28 24.587 36.140 0.321 1.00 25.00 C ATOM 390 O LEU A 28 23.809 36.434 1.212 1.00 25.00 O ATOM 391 CB LEU A 28 24.941 33.798 -0.281 1.00 25.00 C ATOM 392 CG LEU A 28 24.100 32.561 -0.521 1.00 25.00 C ATOM 393 CD1 LEU A 28 24.989 31.379 -0.564 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.097 32.442 0.595 1.00 25.00 C ATOM 0 H LEU A 28 25.250 34.749 -2.471 1.00 25.00 H new ATOM 0 HA LEU A 28 23.153 34.935 -0.669 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.872 33.714 -0.841 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.208 33.852 0.774 1.00 25.00 H new ATOM 0 HG LEU A 28 23.567 32.628 -1.469 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.394 30.482 -0.736 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.711 31.496 -1.372 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.518 31.287 0.385 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.482 31.556 0.438 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.621 32.357 1.547 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.461 33.327 0.609 1.00 25.00 H new ATOM 406 N LEU A 29 25.759 36.735 0.164 1.00 25.00 N ATOM 407 CA LEU A 29 26.183 37.808 1.068 1.00 25.00 C ATOM 408 C LEU A 29 25.251 38.997 0.948 1.00 25.00 C ATOM 409 O LEU A 29 24.929 39.650 1.938 1.00 25.00 O ATOM 410 CB LEU A 29 27.607 38.257 0.742 1.00 25.00 C ATOM 411 CG LEU A 29 28.728 37.317 1.199 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.002 37.682 0.467 1.00 25.00 C ATOM 413 CD2 LEU A 29 28.949 37.377 2.709 1.00 25.00 C ATOM 0 H LEU A 29 26.430 36.502 -0.568 1.00 25.00 H new ATOM 0 HA LEU A 29 26.152 37.420 2.086 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.687 38.389 -0.337 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.772 39.234 1.196 1.00 25.00 H new ATOM 0 HG LEU A 29 28.436 36.294 0.962 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.807 37.019 0.785 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.848 37.577 -0.607 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.270 38.714 0.695 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.752 36.695 2.987 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.220 38.393 2.997 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.033 37.086 3.223 1.00 25.00 H new ATOM 425 N ALA A 30 24.806 39.260 -0.269 1.00 25.00 N ATOM 426 CA ALA A 30 23.906 40.379 -0.534 1.00 25.00 C ATOM 427 C ALA A 30 22.445 40.050 -0.182 1.00 25.00 C ATOM 428 O ALA A 30 21.589 40.939 -0.192 1.00 25.00 O ATOM 429 CB ALA A 30 24.012 40.775 -2.003 1.00 25.00 C ATOM 0 H ALA A 30 25.052 38.714 -1.095 1.00 25.00 H new ATOM 0 HA ALA A 30 24.210 41.209 0.103 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.341 41.610 -2.204 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.037 41.071 -2.227 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.734 39.927 -2.629 1.00 25.00 H new ATOM 435 N ASN A 31 22.157 38.782 0.081 1.00 25.00 N ATOM 436 CA ASN A 31 20.786 38.326 0.316 1.00 25.00 C ATOM 437 C ASN A 31 20.549 37.933 1.771 1.00 25.00 C ATOM 438 O ASN A 31 20.808 36.793 2.171 1.00 25.00 O ATOM 439 CB ASN A 31 20.495 37.137 -0.597 1.00 25.00 C ATOM 440 CG ASN A 31 19.037 36.865 -0.738 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.233 37.108 0.165 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.678 36.327 -1.864 1.00 25.00 N ATOM 0 H ASN A 31 22.858 38.043 0.138 1.00 25.00 H new ATOM 0 HA ASN A 31 20.112 39.153 0.093 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.922 37.327 -1.582 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.989 36.250 -0.201 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.699 36.089 -2.027 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.375 36.142 -2.586 1.00 25.00 H new ATOM 449 N PRO A 32 20.006 38.855 2.584 1.00 25.00 N ATOM 450 CA PRO A 32 19.866 38.532 4.008 1.00 25.00 C ATOM 451 C PRO A 32 18.943 37.351 4.320 1.00 25.00 C ATOM 452 O PRO A 32 19.143 36.652 5.307 1.00 25.00 O ATOM 453 CB PRO A 32 19.326 39.840 4.599 1.00 25.00 C ATOM 454 CG PRO A 32 18.650 40.512 3.450 1.00 25.00 C ATOM 455 CD PRO A 32 19.539 40.224 2.296 1.00 25.00 C ATOM 0 HA PRO A 32 20.815 38.199 4.429 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.629 39.650 5.415 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.130 40.456 5.003 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.647 40.117 3.290 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.548 41.584 3.618 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.004 40.279 1.348 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.367 40.931 2.236 1.00 25.00 H new ATOM 463 N HIS A 33 17.940 37.118 3.483 1.00 25.00 N ATOM 464 CA HIS A 33 17.005 36.011 3.699 1.00 25.00 C ATOM 465 C HIS A 33 17.612 34.669 3.331 1.00 25.00 C ATOM 466 O HIS A 33 17.378 33.666 3.994 1.00 25.00 O ATOM 467 CB HIS A 33 15.746 36.241 2.851 1.00 25.00 C ATOM 468 CG HIS A 33 14.659 35.236 3.088 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.693 35.356 4.093 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.341 34.083 2.441 1.00 25.00 C ATOM 471 CE1 HIS A 33 12.861 34.321 4.011 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.241 33.546 3.034 1.00 25.00 N ATOM 0 H HIS A 33 17.750 37.676 2.650 1.00 25.00 H new ATOM 0 HA HIS A 33 16.759 35.987 4.761 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.357 37.238 3.060 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.022 36.221 1.797 1.00 25.00 H new ATOM 0 HD2 HIS A 33 14.872 33.664 1.599 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.008 34.150 4.651 1.00 25.00 H new ATOM 0 HE2 HIS A 33 12.786 32.676 2.758 1.00 25.00 H new ATOM 480 N GLU A 34 18.382 34.641 2.260 1.00 25.00 N ATOM 481 CA GLU A 34 18.947 33.383 1.795 1.00 25.00 C ATOM 482 C GLU A 34 20.069 33.020 2.732 1.00 25.00 C ATOM 483 O GLU A 34 20.232 31.881 3.098 1.00 25.00 O ATOM 484 CB GLU A 34 19.460 33.510 0.370 1.00 25.00 C ATOM 485 CG GLU A 34 18.733 32.640 -0.630 1.00 25.00 C ATOM 486 CD GLU A 34 19.114 31.147 -0.536 1.00 25.00 C ATOM 487 OE1 GLU A 34 20.316 30.818 -0.645 1.00 25.00 O ATOM 488 OE2 GLU A 34 18.207 30.299 -0.392 1.00 25.00 O ATOM 0 H GLU A 34 18.629 35.458 1.702 1.00 25.00 H new ATOM 0 HA GLU A 34 18.183 32.605 1.791 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.377 34.551 0.057 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.520 33.256 0.353 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.659 32.743 -0.477 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.948 32.999 -1.636 1.00 25.00 H new ATOM 495 N LEU A 35 20.817 34.013 3.179 1.00 25.00 N ATOM 496 CA LEU A 35 21.911 33.753 4.094 1.00 25.00 C ATOM 497 C LEU A 35 21.420 33.276 5.461 1.00 25.00 C ATOM 498 O LEU A 35 22.090 32.482 6.109 1.00 25.00 O ATOM 499 CB LEU A 35 22.811 34.968 4.153 1.00 25.00 C ATOM 500 CG LEU A 35 22.675 36.133 5.133 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.824 35.780 6.602 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.773 37.064 4.708 1.00 25.00 C ATOM 0 H LEU A 35 20.689 34.993 2.927 1.00 25.00 H new ATOM 0 HA LEU A 35 22.508 32.921 3.719 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.821 34.582 4.291 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.773 35.412 3.158 1.00 25.00 H new ATOM 0 HG LEU A 35 21.667 36.544 5.085 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.710 36.680 7.206 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.059 35.056 6.882 1.00 25.00 H new ATOM 0 HD13 LEU A 35 23.811 35.350 6.775 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.771 37.946 5.349 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.734 36.556 4.793 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.613 37.367 3.673 1.00 25.00 H new ATOM 514 N SER A 36 20.250 33.743 5.887 1.00 25.00 N ATOM 515 CA SER A 36 19.696 33.385 7.195 1.00 25.00 C ATOM 516 C SER A 36 19.163 31.966 7.172 1.00 25.00 C ATOM 517 O SER A 36 19.358 31.207 8.100 1.00 25.00 O ATOM 518 CB SER A 36 18.589 34.355 7.631 1.00 25.00 C ATOM 519 OG SER A 36 17.483 34.329 6.750 1.00 25.00 O ATOM 0 H SER A 36 19.662 34.375 5.343 1.00 25.00 H new ATOM 0 HA SER A 36 20.505 33.455 7.922 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.257 34.097 8.637 1.00 25.00 H new ATOM 0 HB3 SER A 36 18.992 35.367 7.677 1.00 25.00 H new ATOM 0 HG SER A 36 17.777 34.027 5.865 1.00 25.00 H new ATOM 525 N LEU A 37 18.537 31.590 6.077 1.00 25.00 N ATOM 526 CA LEU A 37 18.035 30.238 5.936 1.00 25.00 C ATOM 527 C LEU A 37 19.170 29.307 5.758 1.00 25.00 C ATOM 528 O LEU A 37 19.130 28.177 6.167 1.00 25.00 O ATOM 529 CB LEU A 37 17.055 30.170 4.800 1.00 25.00 C ATOM 530 CG LEU A 37 17.338 30.209 3.303 1.00 25.00 C ATOM 531 CD1 LEU A 37 17.752 28.903 2.797 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.074 30.665 2.567 1.00 25.00 C ATOM 0 H LEU A 37 18.364 32.197 5.275 1.00 25.00 H new ATOM 0 HA LEU A 37 17.501 29.939 6.838 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.502 29.244 4.959 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.360 30.991 4.977 1.00 25.00 H new ATOM 0 HG LEU A 37 18.156 30.908 3.128 1.00 25.00 H new ATOM 0 HD11 LEU A 37 17.944 28.972 1.726 1.00 25.00 H new ATOM 0 HD12 LEU A 37 18.660 28.586 3.309 1.00 25.00 H new ATOM 0 HD13 LEU A 37 16.961 28.175 2.977 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.268 30.696 1.495 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.263 29.965 2.769 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.790 31.659 2.913 1.00 25.00 H new ATOM 544 N LEU A 38 20.193 29.786 5.099 1.00 25.00 N ATOM 545 CA LEU A 38 21.364 28.987 4.859 1.00 25.00 C ATOM 546 C LEU A 38 22.084 28.574 6.128 1.00 25.00 C ATOM 547 O LEU A 38 22.456 27.423 6.258 1.00 25.00 O ATOM 548 CB LEU A 38 22.276 29.750 3.949 1.00 25.00 C ATOM 549 CG LEU A 38 23.534 28.965 3.520 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.172 27.727 2.725 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.481 29.818 2.730 1.00 25.00 C ATOM 0 H LEU A 38 20.238 30.731 4.718 1.00 25.00 H new ATOM 0 HA LEU A 38 21.047 28.054 4.393 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.721 30.043 3.058 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.586 30.668 4.448 1.00 25.00 H new ATOM 0 HG LEU A 38 24.035 28.656 4.438 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.082 27.199 2.440 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.549 27.073 3.334 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.625 28.018 1.828 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.353 29.228 2.448 1.00 25.00 H new ATOM 0 HD22 LEU A 38 23.981 30.180 1.832 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.798 30.667 3.336 1.00 25.00 H new ATOM 563 N LYS A 39 22.241 29.476 7.085 1.00 25.00 N ATOM 564 CA LYS A 39 22.843 29.084 8.373 1.00 25.00 C ATOM 565 C LYS A 39 21.940 28.140 9.146 1.00 25.00 C ATOM 566 O LYS A 39 22.423 27.325 9.920 1.00 25.00 O ATOM 567 CB LYS A 39 23.235 30.295 9.235 1.00 25.00 C ATOM 568 CG LYS A 39 22.216 31.423 9.254 1.00 25.00 C ATOM 569 CD LYS A 39 22.521 32.490 10.290 1.00 25.00 C ATOM 570 CE LYS A 39 23.688 33.371 9.845 1.00 25.00 C ATOM 571 NZ LYS A 39 23.932 34.485 10.821 1.00 25.00 N ATOM 0 H LYS A 39 21.973 30.457 7.011 1.00 25.00 H new ATOM 0 HA LYS A 39 23.764 28.553 8.131 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.400 29.956 10.258 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.185 30.689 8.872 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.177 31.885 8.267 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.228 31.007 9.451 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.637 33.107 10.453 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.760 32.018 11.243 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.589 32.765 9.749 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.478 33.787 8.860 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.730 35.066 10.492 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.080 35.076 10.893 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.156 34.086 11.755 1.00 25.00 H new ATOM 585 N GLU A 40 20.645 28.217 8.901 1.00 25.00 N ATOM 586 CA GLU A 40 19.691 27.312 9.531 1.00 25.00 C ATOM 587 C GLU A 40 19.714 25.931 8.851 1.00 25.00 C ATOM 588 O GLU A 40 19.874 24.912 9.518 1.00 25.00 O ATOM 589 CB GLU A 40 18.295 27.938 9.458 1.00 25.00 C ATOM 590 CG GLU A 40 18.143 29.153 10.381 1.00 25.00 C ATOM 591 CD GLU A 40 16.944 30.027 10.023 1.00 25.00 C ATOM 592 OE1 GLU A 40 16.818 31.124 10.616 1.00 25.00 O ATOM 593 OE2 GLU A 40 16.142 29.637 9.145 1.00 25.00 O ATOM 0 H GLU A 40 20.225 28.898 8.269 1.00 25.00 H new ATOM 0 HA GLU A 40 19.965 27.162 10.575 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.089 28.239 8.431 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.550 27.188 9.725 1.00 25.00 H new ATOM 0 HG2 GLU A 40 18.041 28.810 11.411 1.00 25.00 H new ATOM 0 HG3 GLU A 40 19.051 29.754 10.334 1.00 25.00 H new ATOM 600 N ARG A 41 19.580 25.891 7.528 1.00 25.00 N ATOM 601 CA ARG A 41 19.578 24.597 6.799 1.00 25.00 C ATOM 602 C ARG A 41 20.935 23.911 6.682 1.00 25.00 C ATOM 603 O ARG A 41 21.038 22.689 6.682 1.00 25.00 O ATOM 604 CB ARG A 41 18.977 24.756 5.398 1.00 25.00 C ATOM 605 CG ARG A 41 19.834 25.436 4.345 1.00 25.00 C ATOM 606 CD ARG A 41 19.104 25.560 3.009 1.00 25.00 C ATOM 607 NE ARG A 41 19.830 26.447 2.073 1.00 25.00 N ATOM 608 CZ ARG A 41 19.356 26.900 0.912 1.00 25.00 C ATOM 609 NH1 ARG A 41 18.195 26.529 0.432 1.00 25.00 N ATOM 610 NH2 ARG A 41 20.052 27.773 0.239 1.00 25.00 N ATOM 0 H ARG A 41 19.473 26.715 6.936 1.00 25.00 H new ATOM 0 HA ARG A 41 18.960 23.947 7.418 1.00 25.00 H new ATOM 0 HB2 ARG A 41 18.714 23.765 5.030 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.048 25.318 5.491 1.00 25.00 H new ATOM 0 HG2 ARG A 41 20.121 26.428 4.695 1.00 25.00 H new ATOM 0 HG3 ARG A 41 20.754 24.869 4.205 1.00 25.00 H new ATOM 0 HD2 ARG A 41 18.991 24.572 2.562 1.00 25.00 H new ATOM 0 HD3 ARG A 41 18.100 25.950 3.177 1.00 25.00 H new ATOM 0 HE ARG A 41 20.772 26.736 2.338 1.00 25.00 H new ATOM 0 HH11 ARG A 41 17.616 25.869 0.951 1.00 25.00 H new ATOM 0 HH12 ARG A 41 17.870 26.900 -0.461 1.00 25.00 H new ATOM 0 HH21 ARG A 41 20.947 28.101 0.602 1.00 25.00 H new ATOM 0 HH22 ARG A 41 19.702 28.128 -0.651 1.00 25.00 H new ATOM 624 N ASN A 42 21.954 24.719 6.481 1.00 25.00 N ATOM 625 CA ASN A 42 23.321 24.245 6.203 1.00 25.00 C ATOM 626 C ASN A 42 24.420 25.003 6.958 1.00 25.00 C ATOM 627 O ASN A 42 25.182 25.769 6.351 1.00 25.00 O ATOM 628 CB ASN A 42 23.602 24.383 4.702 1.00 25.00 C ATOM 629 CG ASN A 42 24.744 23.527 4.248 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.511 23.018 5.035 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.859 23.361 2.971 1.00 25.00 N ATOM 0 H ASN A 42 21.871 25.735 6.503 1.00 25.00 H new ATOM 0 HA ASN A 42 23.353 23.210 6.543 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.706 24.114 4.142 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.820 25.426 4.472 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.614 22.786 2.597 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.195 23.805 2.337 1.00 25.00 H new ATOM 638 N PRO A 43 24.555 24.778 8.274 1.00 25.00 N ATOM 639 CA PRO A 43 25.629 25.518 8.954 1.00 25.00 C ATOM 640 C PRO A 43 27.077 25.381 8.403 1.00 25.00 C ATOM 641 O PRO A 43 27.783 26.390 8.358 1.00 25.00 O ATOM 642 CB PRO A 43 25.512 25.052 10.414 1.00 25.00 C ATOM 643 CG PRO A 43 24.728 23.780 10.370 1.00 25.00 C ATOM 644 CD PRO A 43 23.793 23.927 9.209 1.00 25.00 C ATOM 0 HA PRO A 43 25.480 26.586 8.795 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.496 24.890 10.854 1.00 25.00 H new ATOM 0 HB3 PRO A 43 25.009 25.801 11.025 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.384 22.919 10.239 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.179 23.625 11.299 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.545 22.962 8.766 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.853 24.393 9.504 1.00 25.00 H new ATOM 652 N PRO A 44 27.530 24.184 7.937 1.00 25.00 N ATOM 653 CA PRO A 44 28.907 24.270 7.420 1.00 25.00 C ATOM 654 C PRO A 44 29.089 25.070 6.117 1.00 25.00 C ATOM 655 O PRO A 44 30.128 25.697 5.929 1.00 25.00 O ATOM 656 CB PRO A 44 29.293 22.802 7.220 1.00 25.00 C ATOM 657 CG PRO A 44 28.031 22.128 6.932 1.00 25.00 C ATOM 658 CD PRO A 44 27.031 22.796 7.846 1.00 25.00 C ATOM 0 HA PRO A 44 29.535 24.824 8.117 1.00 25.00 H new ATOM 0 HB2 PRO A 44 30.001 22.686 6.399 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.768 22.392 8.111 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.750 22.241 5.885 1.00 25.00 H new ATOM 0 HG3 PRO A 44 28.098 21.058 7.130 1.00 25.00 H new ATOM 0 HD2 PRO A 44 26.022 22.757 7.436 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.996 22.316 8.824 1.00 25.00 H new ATOM 666 N LEU A 45 28.102 25.101 5.222 1.00 25.00 N ATOM 667 CA LEU A 45 28.245 25.938 4.024 1.00 25.00 C ATOM 668 C LEU A 45 28.073 27.390 4.434 1.00 25.00 C ATOM 669 O LEU A 45 28.672 28.296 3.860 1.00 25.00 O ATOM 670 CB LEU A 45 27.235 25.575 2.941 1.00 25.00 C ATOM 671 CG LEU A 45 27.378 26.337 1.605 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.780 26.206 0.982 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.337 25.814 0.618 1.00 25.00 C ATOM 0 H LEU A 45 27.228 24.581 5.293 1.00 25.00 H new ATOM 0 HA LEU A 45 29.234 25.770 3.598 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.316 24.507 2.739 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.233 25.750 3.332 1.00 25.00 H new ATOM 0 HG LEU A 45 27.222 27.394 1.819 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.816 26.763 0.046 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.523 26.606 1.671 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.995 25.155 0.787 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.432 26.348 -0.328 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.497 24.749 0.451 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.338 25.972 1.025 1.00 25.00 H new ATOM 685 N ALA A 46 27.261 27.610 5.450 1.00 25.00 N ATOM 686 CA ALA A 46 27.045 28.957 5.932 1.00 25.00 C ATOM 687 C ALA A 46 28.310 29.566 6.528 1.00 25.00 C ATOM 688 O ALA A 46 28.632 30.682 6.189 1.00 25.00 O ATOM 689 CB ALA A 46 25.947 28.979 6.930 1.00 25.00 C ATOM 0 H ALA A 46 26.748 26.884 5.950 1.00 25.00 H new ATOM 0 HA ALA A 46 26.764 29.565 5.072 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.797 29.999 7.283 1.00 25.00 H new ATOM 0 HB2 ALA A 46 25.029 28.616 6.469 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.208 28.338 7.772 1.00 25.00 H new ATOM 695 N GLU A 47 29.024 28.864 7.404 1.00 25.00 N ATOM 696 CA GLU A 47 30.224 29.451 8.034 1.00 25.00 C ATOM 697 C GLU A 47 31.265 29.835 6.979 1.00 25.00 C ATOM 698 O GLU A 47 31.962 30.842 7.105 1.00 25.00 O ATOM 699 CB GLU A 47 30.838 28.539 9.100 1.00 25.00 C ATOM 700 CG GLU A 47 31.288 27.187 8.615 1.00 25.00 C ATOM 701 CD GLU A 47 32.567 26.731 9.302 1.00 25.00 C ATOM 702 OE1 GLU A 47 33.642 27.323 9.013 1.00 25.00 O ATOM 703 OE2 GLU A 47 32.509 25.803 10.130 1.00 25.00 O ATOM 0 H GLU A 47 28.808 27.910 7.695 1.00 25.00 H new ATOM 0 HA GLU A 47 29.897 30.356 8.546 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.693 29.050 9.542 1.00 25.00 H new ATOM 0 HB3 GLU A 47 30.107 28.395 9.895 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.499 26.456 8.795 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.449 27.223 7.537 1.00 25.00 H new ATOM 710 N ALA A 48 31.292 29.071 5.900 1.00 25.00 N ATOM 711 CA ALA A 48 32.095 29.355 4.748 1.00 25.00 C ATOM 712 C ALA A 48 31.775 30.712 4.147 1.00 25.00 C ATOM 713 O ALA A 48 32.668 31.506 3.863 1.00 25.00 O ATOM 714 CB ALA A 48 31.889 28.236 3.732 1.00 25.00 C ATOM 0 H ALA A 48 30.739 28.219 5.810 1.00 25.00 H new ATOM 0 HA ALA A 48 33.143 29.399 5.046 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.492 28.433 2.846 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.190 27.285 4.172 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.837 28.189 3.451 1.00 25.00 H new ATOM 720 N LEU A 49 30.492 30.986 4.009 1.00 25.00 N ATOM 721 CA LEU A 49 30.036 32.264 3.503 1.00 25.00 C ATOM 722 C LEU A 49 30.381 33.386 4.481 1.00 25.00 C ATOM 723 O LEU A 49 30.814 34.457 4.074 1.00 25.00 O ATOM 724 CB LEU A 49 28.519 32.216 3.327 1.00 25.00 C ATOM 725 CG LEU A 49 27.901 33.467 2.711 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.108 33.442 1.215 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.432 33.526 3.065 1.00 25.00 C ATOM 0 H LEU A 49 29.743 30.334 4.243 1.00 25.00 H new ATOM 0 HA LEU A 49 30.529 32.460 2.551 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.268 31.359 2.701 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.061 32.045 4.301 1.00 25.00 H new ATOM 0 HG LEU A 49 28.382 34.362 3.106 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.667 34.335 0.772 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.175 33.417 0.996 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.631 32.556 0.796 1.00 25.00 H new ATOM 0 HD21 LEU A 49 25.988 34.419 2.626 1.00 25.00 H new ATOM 0 HD22 LEU A 49 25.928 32.641 2.676 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.320 33.560 4.149 1.00 25.00 H new ATOM 739 N LEU A 50 30.176 33.137 5.771 1.00 25.00 N ATOM 740 CA LEU A 50 30.371 34.167 6.802 1.00 25.00 C ATOM 741 C LEU A 50 31.821 34.613 6.860 1.00 25.00 C ATOM 742 O LEU A 50 32.123 35.749 7.197 1.00 25.00 O ATOM 743 CB LEU A 50 29.990 33.657 8.205 1.00 25.00 C ATOM 744 CG LEU A 50 28.656 32.933 8.433 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.399 32.778 9.915 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.470 33.575 7.733 1.00 25.00 C ATOM 0 H LEU A 50 29.875 32.232 6.134 1.00 25.00 H new ATOM 0 HA LEU A 50 29.723 34.998 6.523 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.782 32.982 8.528 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.009 34.516 8.876 1.00 25.00 H new ATOM 0 HG LEU A 50 28.757 31.950 7.973 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.450 32.263 10.068 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.204 32.197 10.365 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.357 33.762 10.382 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.568 33.002 7.946 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.344 34.596 8.093 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.646 33.588 6.657 1.00 25.00 H new ATOM 758 N SER A 51 32.716 33.689 6.549 1.00 25.00 N ATOM 759 CA SER A 51 34.134 33.953 6.572 1.00 25.00 C ATOM 760 C SER A 51 34.567 34.836 5.404 1.00 25.00 C ATOM 761 O SER A 51 35.624 35.452 5.445 1.00 25.00 O ATOM 762 CB SER A 51 34.864 32.637 6.481 1.00 25.00 C ATOM 763 OG SER A 51 34.508 31.772 7.551 1.00 25.00 O ATOM 0 H SER A 51 32.473 32.737 6.274 1.00 25.00 H new ATOM 0 HA SER A 51 34.371 34.478 7.497 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.634 32.156 5.530 1.00 25.00 H new ATOM 0 HB3 SER A 51 35.939 32.814 6.496 1.00 25.00 H new ATOM 0 HG SER A 51 33.656 31.333 7.347 1.00 25.00 H new ATOM 769 N GLY A 52 33.777 34.831 4.336 1.00 25.00 N ATOM 770 CA GLY A 52 34.097 35.600 3.142 1.00 25.00 C ATOM 771 C GLY A 52 35.019 34.845 2.204 1.00 25.00 C ATOM 772 O GLY A 52 35.095 35.148 1.009 1.00 25.00 O ATOM 0 H GLY A 52 32.908 34.301 4.274 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.176 35.853 2.617 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.567 36.540 3.432 1.00 25.00 H new ATOM 776 N ASP A 53 35.710 33.852 2.744 1.00 25.00 N ATOM 777 CA ASP A 53 36.650 33.037 1.981 1.00 25.00 C ATOM 778 C ASP A 53 35.948 32.270 0.867 1.00 25.00 C ATOM 779 O ASP A 53 35.162 31.354 1.128 1.00 25.00 O ATOM 780 CB ASP A 53 37.327 31.997 2.877 1.00 25.00 C ATOM 781 CG ASP A 53 38.417 31.262 2.161 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.769 30.158 2.606 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.870 31.746 1.107 1.00 25.00 O ATOM 0 H ASP A 53 35.636 33.586 3.726 1.00 25.00 H new ATOM 0 HA ASP A 53 37.383 33.728 1.564 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.740 32.491 3.757 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.582 31.285 3.232 1.00 25.00 H new ATOM 788 N LEU A 54 36.257 32.604 -0.377 1.00 25.00 N ATOM 789 CA LEU A 54 35.687 31.875 -1.498 1.00 25.00 C ATOM 790 C LEU A 54 36.192 30.442 -1.457 1.00 25.00 C ATOM 791 O LEU A 54 35.465 29.521 -1.774 1.00 25.00 O ATOM 792 CB LEU A 54 36.084 32.505 -2.836 1.00 25.00 C ATOM 793 CG LEU A 54 35.467 31.891 -4.117 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.316 30.758 -4.709 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.011 31.422 -3.936 1.00 25.00 C ATOM 0 H LEU A 54 36.889 33.363 -0.633 1.00 25.00 H new ATOM 0 HA LEU A 54 34.601 31.908 -1.414 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.817 33.561 -2.805 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.169 32.453 -2.925 1.00 25.00 H new ATOM 0 HG LEU A 54 35.459 32.716 -4.830 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.831 30.369 -5.604 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.303 31.140 -4.968 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.418 29.958 -3.975 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.644 31.003 -4.873 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.968 30.661 -3.157 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.389 32.270 -3.649 1.00 25.00 H new ATOM 807 N GLU A 55 37.442 30.248 -1.079 1.00 25.00 N ATOM 808 CA GLU A 55 38.030 28.913 -1.105 1.00 25.00 C ATOM 809 C GLU A 55 37.249 27.973 -0.221 1.00 25.00 C ATOM 810 O GLU A 55 36.789 26.933 -0.678 1.00 25.00 O ATOM 811 CB GLU A 55 39.474 28.946 -0.635 1.00 25.00 C ATOM 812 CG GLU A 55 40.318 29.929 -1.376 1.00 25.00 C ATOM 813 CD GLU A 55 40.378 29.632 -2.870 1.00 25.00 C ATOM 814 OE1 GLU A 55 40.770 28.505 -3.245 1.00 25.00 O ATOM 815 OE2 GLU A 55 39.980 30.512 -3.668 1.00 25.00 O ATOM 0 H GLU A 55 38.067 30.985 -0.753 1.00 25.00 H new ATOM 0 HA GLU A 55 37.996 28.559 -2.135 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.497 29.188 0.428 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.907 27.952 -0.745 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.921 30.933 -1.223 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.328 29.920 -0.965 1.00 25.00 H new ATOM 822 N LYS A 56 37.048 28.347 1.034 1.00 25.00 N ATOM 823 CA LYS A 56 36.266 27.504 1.937 1.00 25.00 C ATOM 824 C LYS A 56 34.830 27.403 1.440 1.00 25.00 C ATOM 825 O LYS A 56 34.261 26.327 1.469 1.00 25.00 O ATOM 826 CB LYS A 56 36.379 27.945 3.419 1.00 25.00 C ATOM 827 CG LYS A 56 35.467 28.937 3.922 1.00 25.00 C ATOM 828 CD LYS A 56 35.948 29.397 5.315 1.00 25.00 C ATOM 829 CE LYS A 56 35.251 28.613 6.437 1.00 25.00 C ATOM 830 NZ LYS A 56 35.660 28.981 7.828 1.00 25.00 N ATOM 0 H LYS A 56 37.405 29.209 1.447 1.00 25.00 H new ATOM 0 HA LYS A 56 36.690 26.500 1.922 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.270 27.054 4.037 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.391 28.319 3.575 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.420 29.786 3.240 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.460 28.525 3.988 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.027 29.263 5.391 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.750 30.462 5.436 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.175 28.757 6.343 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.444 27.551 6.289 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.135 28.398 8.510 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.680 28.816 7.945 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.450 29.985 7.997 1.00 25.00 H new ATOM 844 N PHE A 57 34.267 28.475 0.901 1.00 25.00 N ATOM 845 CA PHE A 57 32.915 28.403 0.342 1.00 25.00 C ATOM 846 C PHE A 57 32.809 27.379 -0.788 1.00 25.00 C ATOM 847 O PHE A 57 31.959 26.504 -0.739 1.00 25.00 O ATOM 848 CB PHE A 57 32.452 29.781 -0.126 1.00 25.00 C ATOM 849 CG PHE A 57 31.027 29.797 -0.596 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.720 29.677 -1.964 1.00 25.00 C ATOM 851 CD2 PHE A 57 29.976 29.913 0.332 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.374 29.680 -2.402 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.628 29.912 -0.095 1.00 25.00 C ATOM 854 CZ PHE A 57 28.331 29.791 -1.466 1.00 25.00 C ATOM 0 H PHE A 57 34.711 29.391 0.837 1.00 25.00 H new ATOM 0 HA PHE A 57 32.254 28.065 1.140 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.566 30.493 0.692 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.099 30.119 -0.936 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.518 29.582 -2.686 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.202 30.004 1.384 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.148 29.597 -3.455 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.830 30.004 0.627 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.303 29.783 -1.798 1.00 25.00 H new ATOM 864 N SER A 58 33.691 27.454 -1.772 1.00 25.00 N ATOM 865 CA SER A 58 33.704 26.507 -2.882 1.00 25.00 C ATOM 866 C SER A 58 34.045 25.087 -2.436 1.00 25.00 C ATOM 867 O SER A 58 33.444 24.121 -2.896 1.00 25.00 O ATOM 868 CB SER A 58 34.734 26.963 -3.917 1.00 25.00 C ATOM 869 OG SER A 58 34.728 26.119 -5.054 1.00 25.00 O ATOM 0 H SER A 58 34.416 28.169 -1.826 1.00 25.00 H new ATOM 0 HA SER A 58 32.701 26.488 -3.307 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.519 27.988 -4.221 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.727 26.965 -3.468 1.00 25.00 H new ATOM 0 HG SER A 58 35.395 26.435 -5.699 1.00 25.00 H new ATOM 875 N ARG A 59 34.991 24.961 -1.519 1.00 25.00 N ATOM 876 CA ARG A 59 35.429 23.653 -1.027 1.00 25.00 C ATOM 877 C ARG A 59 34.254 22.938 -0.389 1.00 25.00 C ATOM 878 O ARG A 59 34.008 21.760 -0.659 1.00 25.00 O ATOM 879 CB ARG A 59 36.576 23.853 -0.020 1.00 25.00 C ATOM 880 CG ARG A 59 37.212 22.579 0.539 1.00 25.00 C ATOM 881 CD ARG A 59 36.456 22.039 1.758 1.00 25.00 C ATOM 882 NE ARG A 59 37.196 20.980 2.460 1.00 25.00 N ATOM 883 CZ ARG A 59 37.284 19.714 2.069 1.00 25.00 C ATOM 884 NH1 ARG A 59 36.756 19.282 0.949 1.00 25.00 N ATOM 885 NH2 ARG A 59 37.928 18.864 2.818 1.00 25.00 N ATOM 0 H ARG A 59 35.477 25.751 -1.094 1.00 25.00 H new ATOM 0 HA ARG A 59 35.795 23.039 -1.850 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.356 24.443 -0.501 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.200 24.443 0.815 1.00 25.00 H new ATOM 0 HG2 ARG A 59 37.236 21.816 -0.239 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.246 22.783 0.817 1.00 25.00 H new ATOM 0 HD2 ARG A 59 36.258 22.858 2.450 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.489 21.650 1.438 1.00 25.00 H new ATOM 0 HE ARG A 59 37.682 21.239 3.318 1.00 25.00 H new ATOM 0 HH11 ARG A 59 36.254 19.928 0.340 1.00 25.00 H new ATOM 0 HH12 ARG A 59 36.848 18.300 0.687 1.00 25.00 H new ATOM 0 HH21 ARG A 59 38.355 19.175 3.690 1.00 25.00 H new ATOM 0 HH22 ARG A 59 38.005 17.888 2.532 1.00 25.00 H new ATOM 899 N VAL A 60 33.521 23.655 0.444 1.00 25.00 N ATOM 900 CA VAL A 60 32.363 23.089 1.115 1.00 25.00 C ATOM 901 C VAL A 60 31.238 22.885 0.104 1.00 25.00 C ATOM 902 O VAL A 60 30.504 21.915 0.194 1.00 25.00 O ATOM 903 CB VAL A 60 31.904 23.974 2.306 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.671 23.371 2.978 1.00 25.00 C ATOM 905 CG2 VAL A 60 33.037 24.087 3.350 1.00 25.00 C ATOM 0 H VAL A 60 33.707 24.632 0.673 1.00 25.00 H new ATOM 0 HA VAL A 60 32.639 22.121 1.534 1.00 25.00 H new ATOM 0 HB VAL A 60 31.658 24.963 1.919 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.364 24.004 3.810 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.859 23.303 2.254 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.910 22.375 3.350 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.705 24.709 4.181 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.292 23.094 3.720 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.915 24.538 2.887 1.00 25.00 H new ATOM 915 N LEU A 61 31.120 23.763 -0.887 1.00 25.00 N ATOM 916 CA LEU A 61 30.087 23.616 -1.919 1.00 25.00 C ATOM 917 C LEU A 61 30.175 22.235 -2.571 1.00 25.00 C ATOM 918 O LEU A 61 29.165 21.555 -2.721 1.00 25.00 O ATOM 919 CB LEU A 61 30.237 24.698 -3.002 1.00 25.00 C ATOM 920 CG LEU A 61 28.942 25.092 -3.726 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.249 26.174 -2.935 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.195 25.627 -5.126 1.00 25.00 C ATOM 0 H LEU A 61 31.720 24.580 -1.001 1.00 25.00 H new ATOM 0 HA LEU A 61 29.116 23.728 -1.436 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.662 25.591 -2.543 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.955 24.348 -3.743 1.00 25.00 H new ATOM 0 HG LEU A 61 28.332 24.192 -3.809 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.327 26.461 -3.441 1.00 25.00 H new ATOM 0 HD12 LEU A 61 28.014 25.802 -1.938 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.904 27.042 -2.854 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.245 25.890 -5.592 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.829 26.512 -5.068 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.693 24.863 -5.723 1.00 25.00 H new ATOM 934 N VAL A 62 31.383 21.800 -2.906 1.00 25.00 N ATOM 935 CA VAL A 62 31.584 20.469 -3.498 1.00 25.00 C ATOM 936 C VAL A 62 31.212 19.369 -2.508 1.00 25.00 C ATOM 937 O VAL A 62 30.557 18.400 -2.865 1.00 25.00 O ATOM 938 CB VAL A 62 33.061 20.246 -3.936 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.238 18.856 -4.585 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.481 21.323 -4.920 1.00 25.00 C ATOM 0 H VAL A 62 32.239 22.341 -2.782 1.00 25.00 H new ATOM 0 HA VAL A 62 30.937 20.422 -4.374 1.00 25.00 H new ATOM 0 HB VAL A 62 33.690 20.300 -3.048 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.278 18.723 -4.883 1.00 25.00 H new ATOM 0 HG12 VAL A 62 32.964 18.082 -3.868 1.00 25.00 H new ATOM 0 HG13 VAL A 62 32.597 18.780 -5.463 1.00 25.00 H new ATOM 0 HG21 VAL A 62 34.516 21.158 -5.220 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.837 21.284 -5.799 1.00 25.00 H new ATOM 0 HG23 VAL A 62 33.392 22.302 -4.448 1.00 25.00 H new ATOM 950 N GLU A 63 31.605 19.522 -1.255 1.00 25.00 N ATOM 951 CA GLU A 63 31.272 18.518 -0.231 1.00 25.00 C ATOM 952 C GLU A 63 29.756 18.394 -0.065 1.00 25.00 C ATOM 953 O GLU A 63 29.220 17.297 0.088 1.00 25.00 O ATOM 954 CB GLU A 63 31.901 18.880 1.113 1.00 25.00 C ATOM 955 CG GLU A 63 33.406 18.740 1.121 1.00 25.00 C ATOM 956 CD GLU A 63 34.011 19.073 2.475 1.00 25.00 C ATOM 957 OE1 GLU A 63 33.850 20.221 2.936 1.00 25.00 O ATOM 958 OE2 GLU A 63 34.722 18.210 3.035 1.00 25.00 O ATOM 0 H GLU A 63 32.148 20.316 -0.915 1.00 25.00 H new ATOM 0 HA GLU A 63 31.675 17.562 -0.565 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.636 19.907 1.366 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.479 18.241 1.889 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.675 17.720 0.847 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.833 19.397 0.363 1.00 25.00 H new