USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 608 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 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 58:sc= 1.09 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 78:sc= 0.957 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 39 SER OG : rot 78:sc= 1.29 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 142:sc= 1.2 (180deg=1.03) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0332) USER MOD Single : A 49 HIS : no HD1:sc=-0.00526 X(o=-0.0053,f=-0.0011) USER MOD Single : A 50 HIS : no HE2:sc= 0.285 K(o=0.28,f=-1.1) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -161:sc= -0.36 (180deg=-1.88) USER MOD Single : A 61 GLN : amide:sc= -0.868 K(o=-0.87,f=-8.3!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.828 X(o=-0.83,f=-0.84) USER MOD Single : A 77 TYR OH : rot 180:sc= 0.128 USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0107) USER MOD ----------------------------------------------------------------- ATOM 215 N GLU A 13 -16.575 11.240 -4.465 1.00 1.00 N ATOM 216 CA GLU A 13 -16.388 10.307 -5.576 1.00 1.00 C ATOM 217 C GLU A 13 -16.763 8.868 -5.225 1.00 1.00 C ATOM 218 O GLU A 13 -17.430 8.191 -6.005 1.00 1.00 O ATOM 219 CB GLU A 13 -14.941 10.352 -6.083 1.00 1.00 C ATOM 220 CG GLU A 13 -14.631 9.277 -7.118 1.00 1.00 C ATOM 221 CD GLU A 13 -13.353 9.550 -7.888 1.00 1.00 C ATOM 222 OE1 GLU A 13 -12.260 9.406 -7.303 1.00 1.00 O ATOM 223 OE2 GLU A 13 -13.443 9.924 -9.075 1.00 1.00 O ATOM 0 HA GLU A 13 -17.068 10.635 -6.362 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -14.746 11.332 -6.518 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -14.263 10.238 -5.237 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -14.549 8.312 -6.618 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -15.463 9.204 -7.819 1.00 1.00 H new ATOM 230 N PHE A 14 -16.355 8.391 -4.064 1.00 1.00 N ATOM 231 CA PHE A 14 -16.654 7.012 -3.708 1.00 1.00 C ATOM 232 C PHE A 14 -18.114 6.837 -3.246 1.00 1.00 C ATOM 233 O PHE A 14 -18.921 6.321 -4.013 1.00 1.00 O ATOM 234 CB PHE A 14 -15.606 6.499 -2.718 1.00 1.00 C ATOM 235 CG PHE A 14 -14.306 6.245 -3.435 1.00 1.00 C ATOM 236 CD1 PHE A 14 -14.044 5.008 -3.998 1.00 1.00 C ATOM 237 CD2 PHE A 14 -13.381 7.266 -3.610 1.00 1.00 C ATOM 238 CE1 PHE A 14 -12.878 4.785 -4.706 1.00 1.00 C ATOM 239 CE2 PHE A 14 -12.210 7.046 -4.311 1.00 1.00 C ATOM 240 CZ PHE A 14 -11.963 5.806 -4.868 1.00 1.00 C ATOM 0 H PHE A 14 -15.830 8.919 -3.367 1.00 1.00 H new ATOM 0 HA PHE A 14 -16.582 6.382 -4.595 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -15.456 7.229 -1.923 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -15.957 5.581 -2.246 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -14.759 4.207 -3.883 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -13.579 8.243 -3.194 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -12.683 3.812 -5.132 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -11.489 7.842 -4.423 1.00 1.00 H new ATOM 0 HZ PHE A 14 -11.056 5.636 -5.429 1.00 1.00 H new ATOM 358 N SER A 23 -17.286 3.998 2.879 1.00 1.00 N ATOM 359 CA SER A 23 -17.062 2.980 3.906 1.00 1.00 C ATOM 360 C SER A 23 -15.714 2.272 3.774 1.00 1.00 C ATOM 361 O SER A 23 -14.696 2.747 4.273 1.00 1.00 O ATOM 362 CB SER A 23 -18.234 1.978 3.896 1.00 1.00 C ATOM 363 OG SER A 23 -18.093 0.972 4.891 1.00 1.00 O ATOM 0 HA SER A 23 -17.024 3.487 4.870 1.00 1.00 H new ATOM 0 HB2 SER A 23 -19.169 2.515 4.055 1.00 1.00 H new ATOM 0 HB3 SER A 23 -18.299 1.508 2.915 1.00 1.00 H new ATOM 0 HG SER A 23 -18.858 0.361 4.849 1.00 1.00 H new ATOM 369 N THR A 24 -15.697 1.158 3.093 1.00 1.00 N ATOM 370 CA THR A 24 -14.480 0.388 2.939 1.00 1.00 C ATOM 371 C THR A 24 -13.711 0.795 1.684 1.00 1.00 C ATOM 372 O THR A 24 -12.497 1.007 1.724 1.00 1.00 O ATOM 373 CB THR A 24 -14.823 -1.106 2.907 1.00 1.00 C ATOM 374 OG1 THR A 24 -16.159 -1.287 2.403 1.00 1.00 O ATOM 375 CG2 THR A 24 -14.734 -1.689 4.310 1.00 1.00 C ATOM 0 H THR A 24 -16.514 0.757 2.632 1.00 1.00 H new ATOM 0 HA THR A 24 -13.832 0.592 3.791 1.00 1.00 H new ATOM 0 HB THR A 24 -14.114 -1.617 2.256 1.00 1.00 H new ATOM 0 HG1 THR A 24 -16.228 -0.889 1.510 1.00 1.00 H new ATOM 0 HG21 THR A 24 -14.979 -2.751 4.279 1.00 1.00 H new ATOM 0 HG22 THR A 24 -13.722 -1.561 4.694 1.00 1.00 H new ATOM 0 HG23 THR A 24 -15.437 -1.173 4.964 1.00 1.00 H new ATOM 383 N GLU A 25 -14.433 0.937 0.584 1.00 1.00 N ATOM 384 CA GLU A 25 -13.849 1.336 -0.697 1.00 1.00 C ATOM 385 C GLU A 25 -13.068 2.648 -0.561 1.00 1.00 C ATOM 386 O GLU A 25 -11.945 2.772 -1.049 1.00 1.00 O ATOM 387 CB GLU A 25 -14.954 1.525 -1.744 1.00 1.00 C ATOM 388 CG GLU A 25 -15.741 0.261 -2.074 1.00 1.00 C ATOM 389 CD GLU A 25 -16.910 0.004 -1.135 1.00 1.00 C ATOM 390 OE1 GLU A 25 -16.679 -0.385 0.027 1.00 1.00 O ATOM 391 OE2 GLU A 25 -18.070 0.170 -1.568 1.00 1.00 O ATOM 0 H GLU A 25 -15.440 0.780 0.549 1.00 1.00 H new ATOM 0 HA GLU A 25 -13.167 0.546 -1.012 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -15.648 2.286 -1.387 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -14.506 1.907 -2.661 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -16.116 0.334 -3.095 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -15.066 -0.595 -2.042 1.00 1.00 H new ATOM 398 N VAL A 26 -13.671 3.611 0.131 1.00 1.00 N ATOM 399 CA VAL A 26 -13.055 4.924 0.341 1.00 1.00 C ATOM 400 C VAL A 26 -11.733 4.819 1.118 1.00 1.00 C ATOM 401 O VAL A 26 -10.796 5.578 0.880 1.00 1.00 O ATOM 402 CB VAL A 26 -14.029 5.888 1.076 1.00 1.00 C ATOM 403 CG1 VAL A 26 -14.232 5.496 2.537 1.00 1.00 C ATOM 404 CG2 VAL A 26 -13.554 7.330 0.976 1.00 1.00 C ATOM 0 H VAL A 26 -14.591 3.508 0.559 1.00 1.00 H new ATOM 0 HA VAL A 26 -12.834 5.331 -0.646 1.00 1.00 H new ATOM 0 HB VAL A 26 -14.993 5.803 0.575 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -14.920 6.197 3.010 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -14.647 4.490 2.589 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -13.274 5.521 3.057 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -14.255 7.981 1.499 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -12.567 7.420 1.430 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -13.500 7.623 -0.072 1.00 1.00 H new ATOM 414 N GLN A 27 -11.636 3.831 1.993 1.00 1.00 N ATOM 415 CA GLN A 27 -10.446 3.652 2.813 1.00 1.00 C ATOM 416 C GLN A 27 -9.348 2.931 2.035 1.00 1.00 C ATOM 417 O GLN A 27 -8.164 3.233 2.173 1.00 1.00 O ATOM 418 CB GLN A 27 -10.810 2.894 4.078 1.00 1.00 C ATOM 419 CG GLN A 27 -9.682 2.828 5.084 1.00 1.00 C ATOM 420 CD GLN A 27 -10.029 1.972 6.280 1.00 1.00 C ATOM 421 OE1 GLN A 27 -10.622 2.434 7.243 1.00 1.00 O ATOM 422 NE2 GLN A 27 -9.651 0.712 6.231 1.00 1.00 N ATOM 0 H GLN A 27 -12.368 3.139 2.155 1.00 1.00 H new ATOM 0 HA GLN A 27 -10.056 4.632 3.090 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -11.674 3.370 4.542 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -11.110 1.880 3.812 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -8.790 2.429 4.601 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -9.438 3.836 5.420 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -9.158 0.359 5.411 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -9.852 0.089 7.013 1.00 1.00 H new ATOM 431 N VAL A 28 -9.745 1.970 1.219 1.00 1.00 N ATOM 432 CA VAL A 28 -8.801 1.267 0.372 1.00 1.00 C ATOM 433 C VAL A 28 -8.290 2.250 -0.682 1.00 1.00 C ATOM 434 O VAL A 28 -7.172 2.143 -1.189 1.00 1.00 O ATOM 435 CB VAL A 28 -9.450 0.037 -0.289 1.00 1.00 C ATOM 436 CG1 VAL A 28 -8.456 -0.733 -1.142 1.00 1.00 C ATOM 437 CG2 VAL A 28 -10.053 -0.875 0.768 1.00 1.00 C ATOM 0 H VAL A 28 -10.712 1.660 1.126 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.970 0.897 0.973 1.00 1.00 H new ATOM 0 HB VAL A 28 -10.242 0.396 -0.946 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -8.952 -1.593 -1.591 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -8.072 -0.084 -1.929 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -7.630 -1.075 -0.519 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -10.508 -1.740 0.286 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -9.271 -1.209 1.449 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -10.813 -0.330 1.328 1.00 1.00 H new ATOM 447 N ALA A 29 -9.133 3.228 -0.992 1.00 1.00 N ATOM 448 CA ALA A 29 -8.767 4.285 -1.913 1.00 1.00 C ATOM 449 C ALA A 29 -7.667 5.131 -1.287 1.00 1.00 C ATOM 450 O ALA A 29 -6.689 5.488 -1.940 1.00 1.00 O ATOM 451 CB ALA A 29 -9.966 5.153 -2.240 1.00 1.00 C ATOM 0 H ALA A 29 -10.077 3.306 -0.615 1.00 1.00 H new ATOM 0 HA ALA A 29 -8.409 3.840 -2.841 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -9.668 5.940 -2.933 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -10.744 4.542 -2.698 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -10.350 5.603 -1.324 1.00 1.00 H new ATOM 457 N LEU A 30 -7.814 5.430 -0.002 1.00 1.00 N ATOM 458 CA LEU A 30 -6.804 6.212 0.684 1.00 1.00 C ATOM 459 C LEU A 30 -5.565 5.344 0.983 1.00 1.00 C ATOM 460 O LEU A 30 -4.442 5.844 1.013 1.00 1.00 O ATOM 461 CB LEU A 30 -7.385 6.922 1.931 1.00 1.00 C ATOM 462 CG LEU A 30 -7.763 6.066 3.158 1.00 1.00 C ATOM 463 CD1 LEU A 30 -6.549 5.735 4.020 1.00 1.00 C ATOM 464 CD2 LEU A 30 -8.810 6.801 3.994 1.00 1.00 C ATOM 0 H LEU A 30 -8.608 5.148 0.573 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.469 7.015 0.027 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.658 7.666 2.257 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -8.277 7.464 1.618 1.00 1.00 H new ATOM 0 HG LEU A 30 -8.172 5.124 2.793 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -6.861 5.131 4.872 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -5.823 5.178 3.428 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -6.094 6.659 4.377 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -9.075 6.195 4.860 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -8.403 7.755 4.330 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -9.699 6.979 3.389 1.00 1.00 H new ATOM 476 N LEU A 31 -5.768 4.030 1.153 1.00 1.00 N ATOM 477 CA LEU A 31 -4.654 3.112 1.390 1.00 1.00 C ATOM 478 C LEU A 31 -3.802 3.039 0.108 1.00 1.00 C ATOM 479 O LEU A 31 -2.571 2.987 0.148 1.00 1.00 O ATOM 480 CB LEU A 31 -5.195 1.739 1.901 1.00 1.00 C ATOM 481 CG LEU A 31 -5.461 0.576 0.900 1.00 1.00 C ATOM 482 CD1 LEU A 31 -4.199 0.032 0.241 1.00 1.00 C ATOM 483 CD2 LEU A 31 -6.169 -0.564 1.628 1.00 1.00 C ATOM 0 H LEU A 31 -6.686 3.586 1.131 1.00 1.00 H new ATOM 0 HA LEU A 31 -3.995 3.467 2.182 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -4.487 1.370 2.643 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -6.131 1.936 2.423 1.00 1.00 H new ATOM 0 HG LEU A 31 -6.081 0.989 0.104 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -4.464 -0.775 -0.442 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -3.705 0.830 -0.314 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -3.524 -0.349 1.007 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -6.357 -1.380 0.930 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -5.540 -0.921 2.443 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -7.116 -0.206 2.031 1.00 1.00 H new ATOM 495 N THR A 32 -4.476 3.113 -1.031 1.00 1.00 N ATOM 496 CA THR A 32 -3.814 3.104 -2.332 1.00 1.00 C ATOM 497 C THR A 32 -3.108 4.446 -2.583 1.00 1.00 C ATOM 498 O THR A 32 -2.012 4.477 -3.134 1.00 1.00 O ATOM 499 CB THR A 32 -4.833 2.781 -3.439 1.00 1.00 C ATOM 500 OG1 THR A 32 -5.378 1.476 -3.188 1.00 1.00 O ATOM 501 CG2 THR A 32 -4.212 2.806 -4.827 1.00 1.00 C ATOM 0 H THR A 32 -5.492 3.181 -1.082 1.00 1.00 H new ATOM 0 HA THR A 32 -3.051 2.326 -2.342 1.00 1.00 H new ATOM 0 HB THR A 32 -5.609 3.547 -3.418 1.00 1.00 H new ATOM 0 HG1 THR A 32 -6.052 1.534 -2.479 1.00 1.00 H new ATOM 0 HG21 THR A 32 -4.974 2.572 -5.571 1.00 1.00 H new ATOM 0 HG22 THR A 32 -3.804 3.797 -5.025 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.412 2.067 -4.881 1.00 1.00 H new ATOM 509 N LEU A 33 -3.735 5.552 -2.164 1.00 1.00 N ATOM 510 CA LEU A 33 -3.122 6.886 -2.281 1.00 1.00 C ATOM 511 C LEU A 33 -1.818 6.878 -1.462 1.00 1.00 C ATOM 512 O LEU A 33 -0.782 7.388 -1.899 1.00 1.00 O ATOM 513 CB LEU A 33 -4.128 7.957 -1.786 1.00 1.00 C ATOM 514 CG LEU A 33 -3.758 9.456 -1.933 1.00 1.00 C ATOM 515 CD1 LEU A 33 -2.731 9.904 -0.901 1.00 1.00 C ATOM 516 CD2 LEU A 33 -3.277 9.782 -3.338 1.00 1.00 C ATOM 0 H LEU A 33 -4.664 5.553 -1.742 1.00 1.00 H new ATOM 0 HA LEU A 33 -2.879 7.131 -3.315 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -5.068 7.796 -2.314 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -4.319 7.767 -0.730 1.00 1.00 H new ATOM 0 HG LEU A 33 -4.675 10.015 -1.748 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -2.506 10.961 -1.047 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -3.133 9.753 0.101 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -1.819 9.319 -1.018 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -3.028 10.841 -3.401 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -2.393 9.187 -3.567 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.065 9.552 -4.055 1.00 1.00 H new ATOM 528 N ARG A 34 -1.886 6.259 -0.278 1.00 1.00 N ATOM 529 CA ARG A 34 -0.723 6.103 0.597 1.00 1.00 C ATOM 530 C ARG A 34 0.385 5.330 -0.138 1.00 1.00 C ATOM 531 O ARG A 34 1.503 5.820 -0.283 1.00 1.00 O ATOM 532 CB ARG A 34 -1.126 5.350 1.878 1.00 1.00 C ATOM 533 CG ARG A 34 0.014 5.133 2.867 1.00 1.00 C ATOM 534 CD ARG A 34 -0.450 4.396 4.129 1.00 1.00 C ATOM 535 NE ARG A 34 0.627 4.295 5.125 1.00 1.00 N ATOM 536 CZ ARG A 34 0.643 3.476 6.157 1.00 1.00 C ATOM 537 NH1 ARG A 34 -0.332 2.646 6.381 1.00 1.00 N ATOM 538 NH2 ARG A 34 1.658 3.501 6.968 1.00 1.00 N ATOM 0 H ARG A 34 -2.744 5.855 0.097 1.00 1.00 H new ATOM 0 HA ARG A 34 -0.348 7.090 0.869 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.922 5.905 2.376 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -1.539 4.380 1.600 1.00 1.00 H new ATOM 0 HG2 ARG A 34 0.808 4.562 2.385 1.00 1.00 H new ATOM 0 HG3 ARG A 34 0.440 6.097 3.146 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -1.301 4.920 4.565 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -0.794 3.397 3.862 1.00 1.00 H new ATOM 0 HE ARG A 34 1.431 4.912 5.007 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -1.133 2.619 5.751 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -0.296 2.022 7.187 1.00 1.00 H new ATOM 0 HH21 ARG A 34 2.428 4.149 6.801 1.00 1.00 H new ATOM 0 HH22 ARG A 34 1.685 2.873 7.771 1.00 1.00 H new ATOM 552 N ILE A 35 0.045 4.130 -0.625 1.00 1.00 N ATOM 553 CA ILE A 35 0.999 3.279 -1.358 1.00 1.00 C ATOM 554 C ILE A 35 1.555 3.988 -2.590 1.00 1.00 C ATOM 555 O ILE A 35 2.760 3.982 -2.830 1.00 1.00 O ATOM 556 CB ILE A 35 0.349 1.948 -1.836 1.00 1.00 C ATOM 557 CG1 ILE A 35 -0.085 1.103 -0.641 1.00 1.00 C ATOM 558 CG2 ILE A 35 1.308 1.155 -2.727 1.00 1.00 C ATOM 559 CD1 ILE A 35 -0.708 -0.229 -1.016 1.00 1.00 C ATOM 0 H ILE A 35 -0.885 3.723 -0.526 1.00 1.00 H new ATOM 0 HA ILE A 35 1.801 3.065 -0.652 1.00 1.00 H new ATOM 0 HB ILE A 35 -0.533 2.199 -2.425 1.00 1.00 H new ATOM 0 HG12 ILE A 35 0.781 0.920 -0.005 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -0.801 1.672 -0.048 1.00 1.00 H new ATOM 0 HG21 ILE A 35 0.827 0.230 -3.046 1.00 1.00 H new ATOM 0 HG22 ILE A 35 1.567 1.750 -3.603 1.00 1.00 H new ATOM 0 HG23 ILE A 35 2.213 0.919 -2.168 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -0.988 -0.767 -0.111 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -1.595 -0.057 -1.625 1.00 1.00 H new ATOM 0 HD13 ILE A 35 0.012 -0.821 -1.582 1.00 1.00 H new ATOM 571 N ASN A 36 0.673 4.628 -3.343 1.00 1.00 N ATOM 572 CA ASN A 36 1.063 5.295 -4.578 1.00 1.00 C ATOM 573 C ASN A 36 2.104 6.389 -4.363 1.00 1.00 C ATOM 574 O ASN A 36 3.150 6.369 -5.004 1.00 1.00 O ATOM 575 CB ASN A 36 -0.159 5.868 -5.297 1.00 1.00 C ATOM 576 CG ASN A 36 0.177 6.397 -6.678 1.00 1.00 C ATOM 577 OD1 ASN A 36 1.095 5.928 -7.335 1.00 1.00 O ATOM 578 ND2 ASN A 36 -0.572 7.380 -7.133 1.00 1.00 N ATOM 0 H ASN A 36 -0.320 4.700 -3.121 1.00 1.00 H new ATOM 0 HA ASN A 36 1.526 4.531 -5.203 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -0.922 5.094 -5.383 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -0.586 6.672 -4.697 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -0.393 7.771 -8.058 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -1.331 7.750 -6.561 1.00 1.00 H new ATOM 585 N ARG A 37 1.881 7.334 -3.453 1.00 1.00 N ATOM 586 CA ARG A 37 2.894 8.369 -3.309 1.00 1.00 C ATOM 587 C ARG A 37 4.091 7.883 -2.508 1.00 1.00 C ATOM 588 O ARG A 37 5.160 8.490 -2.531 1.00 1.00 O ATOM 589 CB ARG A 37 2.356 9.728 -2.861 1.00 1.00 C ATOM 590 CG ARG A 37 1.594 9.829 -1.548 1.00 1.00 C ATOM 591 CD ARG A 37 1.238 11.306 -1.336 1.00 1.00 C ATOM 592 NE ARG A 37 0.442 11.583 -0.139 1.00 1.00 N ATOM 593 CZ ARG A 37 0.368 12.770 0.420 1.00 1.00 C ATOM 594 NH1 ARG A 37 1.131 13.743 0.016 1.00 1.00 N ATOM 595 NH2 ARG A 37 -0.466 12.984 1.390 1.00 1.00 N ATOM 0 H ARG A 37 1.066 7.405 -2.843 1.00 1.00 H new ATOM 0 HA ARG A 37 3.258 8.567 -4.317 1.00 1.00 H new ATOM 0 HB2 ARG A 37 3.202 10.413 -2.803 1.00 1.00 H new ATOM 0 HB3 ARG A 37 1.701 10.098 -3.650 1.00 1.00 H new ATOM 0 HG2 ARG A 37 0.692 9.218 -1.580 1.00 1.00 H new ATOM 0 HG3 ARG A 37 2.201 9.458 -0.722 1.00 1.00 H new ATOM 0 HD2 ARG A 37 2.161 11.883 -1.282 1.00 1.00 H new ATOM 0 HD3 ARG A 37 0.690 11.662 -2.209 1.00 1.00 H new ATOM 0 HE ARG A 37 -0.082 10.816 0.282 1.00 1.00 H new ATOM 0 HH11 ARG A 37 1.796 13.589 -0.742 1.00 1.00 H new ATOM 0 HH12 ARG A 37 1.065 14.660 0.457 1.00 1.00 H new ATOM 0 HH21 ARG A 37 -1.067 12.230 1.721 1.00 1.00 H new ATOM 0 HH22 ARG A 37 -0.521 13.907 1.821 1.00 1.00 H new ATOM 609 N LEU A 38 3.920 6.764 -1.831 1.00 1.00 N ATOM 610 CA LEU A 38 5.024 6.143 -1.140 1.00 1.00 C ATOM 611 C LEU A 38 5.920 5.533 -2.209 1.00 1.00 C ATOM 612 O LEU A 38 7.139 5.566 -2.125 1.00 1.00 O ATOM 613 CB LEU A 38 4.533 5.061 -0.199 1.00 1.00 C ATOM 614 CG LEU A 38 5.641 4.298 0.518 1.00 1.00 C ATOM 615 CD1 LEU A 38 6.356 5.187 1.526 1.00 1.00 C ATOM 616 CD2 LEU A 38 5.071 3.068 1.190 1.00 1.00 C ATOM 0 H LEU A 38 3.031 6.271 -1.747 1.00 1.00 H new ATOM 0 HA LEU A 38 5.561 6.877 -0.539 1.00 1.00 H new ATOM 0 HB2 LEU A 38 3.880 5.514 0.547 1.00 1.00 H new ATOM 0 HB3 LEU A 38 3.928 4.352 -0.764 1.00 1.00 H new ATOM 0 HG LEU A 38 6.378 3.982 -0.221 1.00 1.00 H new ATOM 0 HD11 LEU A 38 7.141 4.616 2.022 1.00 1.00 H new ATOM 0 HD12 LEU A 38 6.798 6.039 1.010 1.00 1.00 H new ATOM 0 HD13 LEU A 38 5.642 5.543 2.268 1.00 1.00 H new ATOM 0 HD21 LEU A 38 5.869 2.529 1.700 1.00 1.00 H new ATOM 0 HD22 LEU A 38 4.315 3.367 1.915 1.00 1.00 H new ATOM 0 HD23 LEU A 38 4.618 2.420 0.439 1.00 1.00 H new ATOM 628 N SER A 39 5.278 4.988 -3.237 1.00 1.00 N ATOM 629 CA SER A 39 5.989 4.415 -4.368 1.00 1.00 C ATOM 630 C SER A 39 6.697 5.531 -5.145 1.00 1.00 C ATOM 631 O SER A 39 7.715 5.301 -5.781 1.00 1.00 O ATOM 632 CB SER A 39 5.023 3.651 -5.277 1.00 1.00 C ATOM 633 OG SER A 39 4.338 2.639 -4.553 1.00 1.00 O ATOM 0 H SER A 39 4.262 4.932 -3.308 1.00 1.00 H new ATOM 0 HA SER A 39 6.735 3.709 -4.003 1.00 1.00 H new ATOM 0 HB2 SER A 39 4.302 4.343 -5.712 1.00 1.00 H new ATOM 0 HB3 SER A 39 5.573 3.203 -6.104 1.00 1.00 H new ATOM 0 HG SER A 39 3.618 3.044 -4.026 1.00 1.00 H new ATOM 639 N GLU A 40 6.150 6.751 -5.076 1.00 1.00 N ATOM 640 CA GLU A 40 6.768 7.915 -5.728 1.00 1.00 C ATOM 641 C GLU A 40 8.030 8.292 -4.946 1.00 1.00 C ATOM 642 O GLU A 40 8.999 8.832 -5.475 1.00 1.00 O ATOM 643 CB GLU A 40 5.783 9.087 -5.768 1.00 1.00 C ATOM 644 CG GLU A 40 6.250 10.251 -6.626 1.00 1.00 C ATOM 645 CD GLU A 40 6.537 9.826 -8.057 1.00 1.00 C ATOM 646 OE1 GLU A 40 5.580 9.516 -8.804 1.00 1.00 O ATOM 647 OE2 GLU A 40 7.720 9.762 -8.433 1.00 1.00 O ATOM 0 H GLU A 40 5.284 6.959 -4.578 1.00 1.00 H new ATOM 0 HA GLU A 40 7.034 7.671 -6.757 1.00 1.00 H new ATOM 0 HB2 GLU A 40 4.824 8.731 -6.145 1.00 1.00 H new ATOM 0 HB3 GLU A 40 5.613 9.442 -4.751 1.00 1.00 H new ATOM 0 HG2 GLU A 40 5.488 11.030 -6.625 1.00 1.00 H new ATOM 0 HG3 GLU A 40 7.150 10.685 -6.190 1.00 1.00 H new ATOM 654 N HIS A 41 7.987 7.969 -3.665 1.00 1.00 N ATOM 655 CA HIS A 41 9.100 8.185 -2.766 1.00 1.00 C ATOM 656 C HIS A 41 10.134 7.063 -2.987 1.00 1.00 C ATOM 657 O HIS A 41 11.339 7.303 -2.996 1.00 1.00 O ATOM 658 CB HIS A 41 8.562 8.222 -1.332 1.00 1.00 C ATOM 659 CG HIS A 41 9.597 8.410 -0.265 1.00 1.00 C ATOM 660 ND1 HIS A 41 10.271 9.591 -0.044 1.00 1.00 N ATOM 661 CD2 HIS A 41 10.034 7.548 0.687 1.00 1.00 C ATOM 662 CE1 HIS A 41 11.072 9.416 1.014 1.00 1.00 C ATOM 663 NE2 HIS A 41 10.964 8.194 1.492 1.00 1.00 N ATOM 0 H HIS A 41 7.172 7.547 -3.220 1.00 1.00 H new ATOM 0 HA HIS A 41 9.601 9.134 -2.957 1.00 1.00 H new ATOM 0 HB2 HIS A 41 7.834 9.029 -1.255 1.00 1.00 H new ATOM 0 HB3 HIS A 41 8.028 7.292 -1.138 1.00 1.00 H new ATOM 0 HD2 HIS A 41 9.711 6.524 0.801 1.00 1.00 H new ATOM 0 HE1 HIS A 41 11.721 10.177 1.422 1.00 1.00 H new ATOM 0 HE2 HIS A 41 11.462 7.801 2.291 1.00 1.00 H new ATOM 671 N LEU A 42 9.638 5.834 -3.191 1.00 1.00 N ATOM 672 CA LEU A 42 10.497 4.675 -3.478 1.00 1.00 C ATOM 673 C LEU A 42 10.943 4.690 -4.954 1.00 1.00 C ATOM 674 O LEU A 42 11.680 3.824 -5.409 1.00 1.00 O ATOM 675 CB LEU A 42 9.767 3.361 -3.172 1.00 1.00 C ATOM 676 CG LEU A 42 9.871 2.843 -1.725 1.00 1.00 C ATOM 677 CD1 LEU A 42 9.296 3.838 -0.726 1.00 1.00 C ATOM 678 CD2 LEU A 42 9.159 1.503 -1.598 1.00 1.00 C ATOM 0 H LEU A 42 8.642 5.616 -3.162 1.00 1.00 H new ATOM 0 HA LEU A 42 11.376 4.742 -2.837 1.00 1.00 H new ATOM 0 HB2 LEU A 42 8.712 3.491 -3.414 1.00 1.00 H new ATOM 0 HB3 LEU A 42 10.154 2.591 -3.840 1.00 1.00 H new ATOM 0 HG LEU A 42 10.929 2.716 -1.493 1.00 1.00 H new ATOM 0 HD11 LEU A 42 9.388 3.435 0.283 1.00 1.00 H new ATOM 0 HD12 LEU A 42 9.843 4.778 -0.793 1.00 1.00 H new ATOM 0 HD13 LEU A 42 8.244 4.014 -0.952 1.00 1.00 H new ATOM 0 HD21 LEU A 42 9.238 1.145 -0.572 1.00 1.00 H new ATOM 0 HD22 LEU A 42 8.108 1.623 -1.861 1.00 1.00 H new ATOM 0 HD23 LEU A 42 9.621 0.780 -2.271 1.00 1.00 H new ATOM 690 N LYS A 43 10.436 5.664 -5.705 1.00 1.00 N ATOM 691 CA LYS A 43 10.832 5.868 -7.101 1.00 1.00 C ATOM 692 C LYS A 43 12.129 6.690 -7.088 1.00 1.00 C ATOM 693 O LYS A 43 12.742 7.007 -8.108 1.00 1.00 O ATOM 694 CB LYS A 43 9.693 6.565 -7.846 1.00 1.00 C ATOM 695 CG LYS A 43 9.858 6.622 -9.354 1.00 1.00 C ATOM 696 CD LYS A 43 8.681 7.336 -10.023 1.00 1.00 C ATOM 697 CE LYS A 43 7.350 6.613 -9.800 1.00 1.00 C ATOM 698 NZ LYS A 43 6.182 7.386 -10.328 1.00 1.00 N ATOM 0 H LYS A 43 9.743 6.332 -5.368 1.00 1.00 H new ATOM 0 HA LYS A 43 11.020 4.930 -7.623 1.00 1.00 H new ATOM 0 HB2 LYS A 43 8.760 6.051 -7.616 1.00 1.00 H new ATOM 0 HB3 LYS A 43 9.599 7.582 -7.466 1.00 1.00 H new ATOM 0 HG2 LYS A 43 10.785 7.139 -9.600 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.943 5.610 -9.750 1.00 1.00 H new ATOM 0 HD2 LYS A 43 8.608 8.352 -9.634 1.00 1.00 H new ATOM 0 HD3 LYS A 43 8.871 7.418 -11.093 1.00 1.00 H new ATOM 0 HE2 LYS A 43 7.385 5.637 -10.285 1.00 1.00 H new ATOM 0 HE3 LYS A 43 7.211 6.435 -8.734 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 5.494 6.730 -10.750 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 5.731 7.908 -9.550 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 6.509 8.058 -11.052 1.00 1.00 H new ATOM 712 N VAL A 44 12.504 7.008 -5.860 1.00 1.00 N ATOM 713 CA VAL A 44 13.725 7.712 -5.518 1.00 1.00 C ATOM 714 C VAL A 44 14.526 6.733 -4.665 1.00 1.00 C ATOM 715 O VAL A 44 15.621 6.292 -5.024 1.00 1.00 O ATOM 716 CB VAL A 44 13.427 8.995 -4.712 1.00 1.00 C ATOM 717 CG1 VAL A 44 14.708 9.727 -4.352 1.00 1.00 C ATOM 718 CG2 VAL A 44 12.487 9.910 -5.482 1.00 1.00 C ATOM 0 H VAL A 44 11.942 6.772 -5.042 1.00 1.00 H new ATOM 0 HA VAL A 44 14.264 8.025 -6.412 1.00 1.00 H new ATOM 0 HB VAL A 44 12.936 8.699 -3.785 1.00 1.00 H new ATOM 0 HG11 VAL A 44 14.466 10.626 -3.785 1.00 1.00 H new ATOM 0 HG12 VAL A 44 15.341 9.077 -3.749 1.00 1.00 H new ATOM 0 HG13 VAL A 44 15.237 10.004 -5.264 1.00 1.00 H new ATOM 0 HG21 VAL A 44 12.291 10.807 -4.895 1.00 1.00 H new ATOM 0 HG22 VAL A 44 12.947 10.190 -6.430 1.00 1.00 H new ATOM 0 HG23 VAL A 44 11.549 9.390 -5.673 1.00 1.00 H new ATOM 728 N HIS A 45 13.918 6.358 -3.546 1.00 1.00 N ATOM 729 CA HIS A 45 14.471 5.355 -2.648 1.00 1.00 C ATOM 730 C HIS A 45 14.088 3.991 -3.236 1.00 1.00 C ATOM 731 O HIS A 45 13.288 3.254 -2.665 1.00 1.00 O ATOM 732 CB HIS A 45 13.864 5.534 -1.251 1.00 1.00 C ATOM 733 CG HIS A 45 14.309 6.784 -0.549 1.00 1.00 C ATOM 734 ND1 HIS A 45 15.334 6.840 0.374 1.00 1.00 N ATOM 735 CD2 HIS A 45 13.831 8.051 -0.649 1.00 1.00 C ATOM 736 CE1 HIS A 45 15.440 8.109 0.794 1.00 1.00 C ATOM 737 NE2 HIS A 45 14.552 8.882 0.203 1.00 1.00 N ATOM 0 H HIS A 45 13.026 6.743 -3.236 1.00 1.00 H new ATOM 0 HA HIS A 45 15.553 5.443 -2.554 1.00 1.00 H new ATOM 0 HB2 HIS A 45 12.777 5.545 -1.337 1.00 1.00 H new ATOM 0 HB3 HIS A 45 14.127 4.672 -0.638 1.00 1.00 H new ATOM 0 HD2 HIS A 45 13.019 8.364 -1.289 1.00 1.00 H new ATOM 0 HE1 HIS A 45 16.160 8.453 1.522 1.00 1.00 H new ATOM 0 HE2 HIS A 45 14.420 9.884 0.341 1.00 1.00 H new ATOM 745 N LYS A 46 14.689 3.668 -4.384 1.00 1.00 N ATOM 746 CA LYS A 46 14.328 2.457 -5.137 1.00 1.00 C ATOM 747 C LYS A 46 14.550 1.151 -4.389 1.00 1.00 C ATOM 748 O LYS A 46 13.730 0.241 -4.468 1.00 1.00 O ATOM 749 CB LYS A 46 15.004 2.414 -6.527 1.00 1.00 C ATOM 750 CG LYS A 46 16.502 2.103 -6.563 1.00 1.00 C ATOM 751 CD LYS A 46 17.356 3.220 -5.991 1.00 1.00 C ATOM 752 CE LYS A 46 18.823 2.826 -6.000 1.00 1.00 C ATOM 753 NZ LYS A 46 19.696 3.897 -5.451 1.00 1.00 N ATOM 0 H LYS A 46 15.427 4.225 -4.815 1.00 1.00 H new ATOM 0 HA LYS A 46 13.250 2.539 -5.273 1.00 1.00 H new ATOM 0 HB2 LYS A 46 14.489 1.667 -7.131 1.00 1.00 H new ATOM 0 HB3 LYS A 46 14.847 3.378 -7.010 1.00 1.00 H new ATOM 0 HG2 LYS A 46 16.690 1.187 -6.003 1.00 1.00 H new ATOM 0 HG3 LYS A 46 16.803 1.915 -7.593 1.00 1.00 H new ATOM 0 HD2 LYS A 46 17.214 4.130 -6.575 1.00 1.00 H new ATOM 0 HD3 LYS A 46 17.039 3.442 -4.972 1.00 1.00 H new ATOM 0 HE2 LYS A 46 18.956 1.916 -5.415 1.00 1.00 H new ATOM 0 HE3 LYS A 46 19.130 2.597 -7.021 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 20.687 3.584 -5.477 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 19.590 4.759 -6.023 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 19.422 4.098 -4.468 1.00 1.00 H new ATOM 767 N LYS A 47 15.632 1.050 -3.658 1.00 1.00 N ATOM 768 CA LYS A 47 15.903 -0.171 -2.931 1.00 1.00 C ATOM 769 C LYS A 47 16.513 0.144 -1.589 1.00 1.00 C ATOM 770 O LYS A 47 17.697 -0.071 -1.343 1.00 1.00 O ATOM 771 CB LYS A 47 16.774 -1.149 -3.730 1.00 1.00 C ATOM 772 CG LYS A 47 15.990 -1.910 -4.796 1.00 1.00 C ATOM 773 CD LYS A 47 16.849 -2.934 -5.519 1.00 1.00 C ATOM 774 CE LYS A 47 16.015 -3.828 -6.431 1.00 1.00 C ATOM 775 NZ LYS A 47 15.273 -3.054 -7.471 1.00 1.00 N ATOM 0 H LYS A 47 16.331 1.784 -3.549 1.00 1.00 H new ATOM 0 HA LYS A 47 14.950 -0.675 -2.769 1.00 1.00 H new ATOM 0 HB2 LYS A 47 17.585 -0.599 -4.207 1.00 1.00 H new ATOM 0 HB3 LYS A 47 17.232 -1.862 -3.045 1.00 1.00 H new ATOM 0 HG2 LYS A 47 15.142 -2.413 -4.331 1.00 1.00 H new ATOM 0 HG3 LYS A 47 15.584 -1.203 -5.520 1.00 1.00 H new ATOM 0 HD2 LYS A 47 17.608 -2.420 -6.109 1.00 1.00 H new ATOM 0 HD3 LYS A 47 17.374 -3.549 -4.788 1.00 1.00 H new ATOM 0 HE2 LYS A 47 16.667 -4.553 -6.919 1.00 1.00 H new ATOM 0 HE3 LYS A 47 15.304 -4.394 -5.828 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 14.804 -3.713 -8.125 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 14.558 -2.454 -7.013 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 15.939 -2.456 -8.000 1.00 1.00 H new ATOM 789 N ASP A 48 15.692 0.755 -0.771 1.00 1.00 N ATOM 790 CA ASP A 48 16.059 1.067 0.590 1.00 1.00 C ATOM 791 C ASP A 48 15.384 0.017 1.474 1.00 1.00 C ATOM 792 O ASP A 48 16.001 -0.586 2.354 1.00 1.00 O ATOM 793 CB ASP A 48 15.596 2.471 0.961 1.00 1.00 C ATOM 794 CG ASP A 48 15.973 2.827 2.377 1.00 1.00 C ATOM 795 OD1 ASP A 48 17.167 3.093 2.620 1.00 1.00 O ATOM 796 OD2 ASP A 48 15.075 2.844 3.239 1.00 1.00 O ATOM 0 H ASP A 48 14.750 1.050 -1.029 1.00 1.00 H new ATOM 0 HA ASP A 48 17.141 1.047 0.721 1.00 1.00 H new ATOM 0 HB2 ASP A 48 16.038 3.193 0.274 1.00 1.00 H new ATOM 0 HB3 ASP A 48 14.515 2.540 0.844 1.00 1.00 H new ATOM 801 N HIS A 49 14.102 -0.218 1.161 1.00 1.00 N ATOM 802 CA HIS A 49 13.268 -1.209 1.852 1.00 1.00 C ATOM 803 C HIS A 49 13.198 -0.956 3.363 1.00 1.00 C ATOM 804 O HIS A 49 13.518 0.125 3.835 1.00 1.00 O ATOM 805 CB HIS A 49 13.802 -2.628 1.596 1.00 1.00 C ATOM 806 CG HIS A 49 13.877 -3.010 0.148 1.00 1.00 C ATOM 807 ND1 HIS A 49 15.055 -3.293 -0.508 1.00 1.00 N ATOM 808 CD2 HIS A 49 12.892 -3.168 -0.771 1.00 1.00 C ATOM 809 CE1 HIS A 49 14.756 -3.606 -1.774 1.00 1.00 C ATOM 810 NE2 HIS A 49 13.458 -3.545 -1.985 1.00 1.00 N ATOM 0 H HIS A 49 13.612 0.278 0.416 1.00 1.00 H new ATOM 0 HA HIS A 49 12.260 -1.113 1.449 1.00 1.00 H new ATOM 0 HB2 HIS A 49 14.797 -2.713 2.034 1.00 1.00 H new ATOM 0 HB3 HIS A 49 13.163 -3.343 2.115 1.00 1.00 H new ATOM 0 HD2 HIS A 49 11.837 -3.024 -0.590 1.00 1.00 H new ATOM 0 HE1 HIS A 49 15.485 -3.874 -2.525 1.00 1.00 H new ATOM 0 HE2 HIS A 49 12.968 -3.735 -2.859 1.00 1.00 H new ATOM 818 N HIS A 50 12.694 -1.950 4.098 1.00 1.00 N ATOM 819 CA HIS A 50 12.627 -1.892 5.571 1.00 1.00 C ATOM 820 C HIS A 50 11.797 -0.712 6.074 1.00 1.00 C ATOM 821 O HIS A 50 11.992 -0.212 7.179 1.00 1.00 O ATOM 822 CB HIS A 50 14.045 -1.814 6.143 1.00 1.00 C ATOM 823 CG HIS A 50 14.960 -2.879 5.618 1.00 1.00 C ATOM 824 ND1 HIS A 50 15.845 -2.689 4.578 1.00 1.00 N ATOM 825 CD2 HIS A 50 15.111 -4.171 6.004 1.00 1.00 C ATOM 826 CE1 HIS A 50 16.490 -3.844 4.370 1.00 1.00 C ATOM 827 NE2 HIS A 50 16.081 -4.774 5.209 1.00 1.00 N ATOM 0 H HIS A 50 12.323 -2.812 3.700 1.00 1.00 H new ATOM 0 HA HIS A 50 12.131 -2.800 5.913 1.00 1.00 H new ATOM 0 HB2 HIS A 50 14.468 -0.836 5.912 1.00 1.00 H new ATOM 0 HB3 HIS A 50 13.995 -1.892 7.229 1.00 1.00 H new ATOM 0 HD1 HIS A 50 15.984 -1.822 4.059 1.00 1.00 H new ATOM 0 HD2 HIS A 50 14.565 -4.654 6.801 1.00 1.00 H new ATOM 0 HE1 HIS A 50 17.246 -3.994 3.614 1.00 1.00 H new ATOM 835 N SER A 51 10.840 -0.311 5.276 1.00 1.00 N ATOM 836 CA SER A 51 10.000 0.822 5.612 1.00 1.00 C ATOM 837 C SER A 51 8.647 0.397 6.220 1.00 1.00 C ATOM 838 O SER A 51 8.066 1.133 7.020 1.00 1.00 O ATOM 839 CB SER A 51 9.790 1.641 4.340 1.00 1.00 C ATOM 840 OG SER A 51 9.432 0.800 3.246 1.00 1.00 O ATOM 0 H SER A 51 10.619 -0.752 4.383 1.00 1.00 H new ATOM 0 HA SER A 51 10.497 1.417 6.378 1.00 1.00 H new ATOM 0 HB2 SER A 51 9.008 2.382 4.505 1.00 1.00 H new ATOM 0 HB3 SER A 51 10.702 2.188 4.100 1.00 1.00 H new ATOM 0 HG SER A 51 9.301 1.346 2.443 1.00 1.00 H new ATOM 846 N HIS A 52 8.167 -0.790 5.820 1.00 1.00 N ATOM 847 CA HIS A 52 6.873 -1.379 6.268 1.00 1.00 C ATOM 848 C HIS A 52 5.643 -0.603 5.731 1.00 1.00 C ATOM 849 O HIS A 52 4.687 -1.215 5.251 1.00 1.00 O ATOM 850 CB HIS A 52 6.775 -1.504 7.808 1.00 1.00 C ATOM 851 CG HIS A 52 5.498 -2.161 8.277 1.00 1.00 C ATOM 852 ND1 HIS A 52 4.497 -1.511 8.972 1.00 1.00 N ATOM 853 CD2 HIS A 52 5.061 -3.438 8.114 1.00 1.00 C ATOM 854 CE1 HIS A 52 3.509 -2.390 9.197 1.00 1.00 C ATOM 855 NE2 HIS A 52 3.803 -3.571 8.696 1.00 1.00 N ATOM 0 H HIS A 52 8.669 -1.388 5.163 1.00 1.00 H new ATOM 0 HA HIS A 52 6.859 -2.381 5.840 1.00 1.00 H new ATOM 0 HB2 HIS A 52 7.626 -2.079 8.173 1.00 1.00 H new ATOM 0 HB3 HIS A 52 6.848 -0.511 8.251 1.00 1.00 H new ATOM 0 HD2 HIS A 52 5.604 -4.225 7.612 1.00 1.00 H new ATOM 0 HE1 HIS A 52 2.593 -2.159 9.720 1.00 1.00 H new ATOM 0 HE2 HIS A 52 3.227 -4.412 8.728 1.00 1.00 H new ATOM 863 N ARG A 53 5.736 0.736 5.780 1.00 1.00 N ATOM 864 CA ARG A 53 4.666 1.693 5.387 1.00 1.00 C ATOM 865 C ARG A 53 3.656 1.159 4.362 1.00 1.00 C ATOM 866 O ARG A 53 2.448 1.186 4.593 1.00 1.00 O ATOM 867 CB ARG A 53 5.287 2.985 4.832 1.00 1.00 C ATOM 868 CG ARG A 53 6.437 3.569 5.655 1.00 1.00 C ATOM 869 CD ARG A 53 6.020 3.998 7.065 1.00 1.00 C ATOM 870 NE ARG A 53 7.172 4.484 7.845 1.00 1.00 N ATOM 871 CZ ARG A 53 7.103 5.283 8.887 1.00 1.00 C ATOM 872 NH1 ARG A 53 5.961 5.736 9.308 1.00 1.00 N ATOM 873 NH2 ARG A 53 8.195 5.623 9.509 1.00 1.00 N ATOM 0 H ARG A 53 6.581 1.206 6.103 1.00 1.00 H new ATOM 0 HA ARG A 53 4.108 1.874 6.306 1.00 1.00 H new ATOM 0 HB2 ARG A 53 5.648 2.789 3.822 1.00 1.00 H new ATOM 0 HB3 ARG A 53 4.503 3.738 4.750 1.00 1.00 H new ATOM 0 HG2 ARG A 53 7.233 2.828 5.729 1.00 1.00 H new ATOM 0 HG3 ARG A 53 6.850 4.430 5.129 1.00 1.00 H new ATOM 0 HD2 ARG A 53 5.267 4.783 7.000 1.00 1.00 H new ATOM 0 HD3 ARG A 53 5.559 3.156 7.581 1.00 1.00 H new ATOM 0 HE ARG A 53 8.099 4.175 7.553 1.00 1.00 H new ATOM 0 HH11 ARG A 53 5.100 5.473 8.829 1.00 1.00 H new ATOM 0 HH12 ARG A 53 5.925 6.355 10.118 1.00 1.00 H new ATOM 0 HH21 ARG A 53 9.096 5.270 9.187 1.00 1.00 H new ATOM 0 HH22 ARG A 53 8.149 6.242 10.318 1.00 1.00 H new ATOM 887 N GLY A 54 4.154 0.722 3.227 1.00 1.00 N ATOM 888 CA GLY A 54 3.290 0.195 2.193 1.00 1.00 C ATOM 889 C GLY A 54 3.916 -0.998 1.531 1.00 1.00 C ATOM 890 O GLY A 54 3.873 -1.154 0.314 1.00 1.00 O ATOM 0 H GLY A 54 5.148 0.721 2.996 1.00 1.00 H new ATOM 0 HA2 GLY A 54 2.329 -0.085 2.624 1.00 1.00 H new ATOM 0 HA3 GLY A 54 3.093 0.967 1.449 1.00 1.00 H new ATOM 894 N LEU A 55 4.532 -1.835 2.343 1.00 1.00 N ATOM 895 CA LEU A 55 5.161 -3.031 1.830 1.00 1.00 C ATOM 896 C LEU A 55 4.149 -4.179 1.777 1.00 1.00 C ATOM 897 O LEU A 55 2.960 -3.988 2.041 1.00 1.00 O ATOM 898 CB LEU A 55 6.392 -3.419 2.664 1.00 1.00 C ATOM 899 CG LEU A 55 7.572 -2.433 2.619 1.00 1.00 C ATOM 900 CD1 LEU A 55 8.754 -3.001 3.388 1.00 1.00 C ATOM 901 CD2 LEU A 55 7.984 -2.122 1.185 1.00 1.00 C ATOM 0 H LEU A 55 4.609 -1.709 3.352 1.00 1.00 H new ATOM 0 HA LEU A 55 5.507 -2.826 0.817 1.00 1.00 H new ATOM 0 HB2 LEU A 55 6.081 -3.536 3.702 1.00 1.00 H new ATOM 0 HB3 LEU A 55 6.744 -4.393 2.325 1.00 1.00 H new ATOM 0 HG LEU A 55 7.249 -1.502 3.085 1.00 1.00 H new ATOM 0 HD11 LEU A 55 9.585 -2.296 3.351 1.00 1.00 H new ATOM 0 HD12 LEU A 55 8.466 -3.168 4.426 1.00 1.00 H new ATOM 0 HD13 LEU A 55 9.060 -3.946 2.939 1.00 1.00 H new ATOM 0 HD21 LEU A 55 8.820 -1.423 1.190 1.00 1.00 H new ATOM 0 HD22 LEU A 55 8.284 -3.043 0.685 1.00 1.00 H new ATOM 0 HD23 LEU A 55 7.143 -1.678 0.653 1.00 1.00 H new ATOM 913 N LEU A 56 4.649 -5.367 1.478 1.00 1.00 N ATOM 914 CA LEU A 56 3.834 -6.586 1.324 1.00 1.00 C ATOM 915 C LEU A 56 2.756 -6.753 2.411 1.00 1.00 C ATOM 916 O LEU A 56 1.652 -7.207 2.127 1.00 1.00 O ATOM 917 CB LEU A 56 4.745 -7.818 1.305 1.00 1.00 C ATOM 918 CG LEU A 56 5.756 -7.878 0.143 1.00 1.00 C ATOM 919 CD1 LEU A 56 7.026 -7.072 0.430 1.00 1.00 C ATOM 920 CD2 LEU A 56 6.113 -9.323 -0.168 1.00 1.00 C ATOM 0 H LEU A 56 5.646 -5.526 1.331 1.00 1.00 H new ATOM 0 HA LEU A 56 3.303 -6.484 0.377 1.00 1.00 H new ATOM 0 HB2 LEU A 56 5.296 -7.856 2.245 1.00 1.00 H new ATOM 0 HB3 LEU A 56 4.120 -8.710 1.266 1.00 1.00 H new ATOM 0 HG LEU A 56 5.276 -7.425 -0.724 1.00 1.00 H new ATOM 0 HD11 LEU A 56 7.705 -7.147 -0.420 1.00 1.00 H new ATOM 0 HD12 LEU A 56 6.764 -6.027 0.594 1.00 1.00 H new ATOM 0 HD13 LEU A 56 7.514 -7.467 1.321 1.00 1.00 H new ATOM 0 HD21 LEU A 56 6.828 -9.352 -0.990 1.00 1.00 H new ATOM 0 HD22 LEU A 56 6.555 -9.786 0.714 1.00 1.00 H new ATOM 0 HD23 LEU A 56 5.212 -9.868 -0.451 1.00 1.00 H new ATOM 932 N MET A 57 3.091 -6.410 3.650 1.00 1.00 N ATOM 933 CA MET A 57 2.140 -6.494 4.762 1.00 1.00 C ATOM 934 C MET A 57 0.889 -5.649 4.500 1.00 1.00 C ATOM 935 O MET A 57 -0.234 -6.144 4.524 1.00 1.00 O ATOM 936 CB MET A 57 2.787 -5.989 6.053 1.00 1.00 C ATOM 937 CG MET A 57 3.821 -6.927 6.647 1.00 1.00 C ATOM 938 SD MET A 57 3.127 -8.528 7.092 1.00 1.00 S ATOM 939 CE MET A 57 4.553 -9.319 7.832 1.00 1.00 C ATOM 0 H MET A 57 4.016 -6.070 3.914 1.00 1.00 H new ATOM 0 HA MET A 57 1.855 -7.542 4.858 1.00 1.00 H new ATOM 0 HB2 MET A 57 3.259 -5.026 5.856 1.00 1.00 H new ATOM 0 HB3 MET A 57 2.005 -5.815 6.792 1.00 1.00 H new ATOM 0 HG2 MET A 57 4.629 -7.072 5.930 1.00 1.00 H new ATOM 0 HG3 MET A 57 4.259 -6.466 7.532 1.00 1.00 H new ATOM 0 HE1 MET A 57 4.283 -10.323 8.160 1.00 1.00 H new ATOM 0 HE2 MET A 57 5.357 -9.381 7.098 1.00 1.00 H new ATOM 0 HE3 MET A 57 4.889 -8.736 8.689 1.00 1.00 H new ATOM 949 N MET A 58 1.103 -4.375 4.206 1.00 1.00 N ATOM 950 CA MET A 58 0.000 -3.447 3.980 1.00 1.00 C ATOM 951 C MET A 58 -0.642 -3.697 2.605 1.00 1.00 C ATOM 952 O MET A 58 -1.843 -3.502 2.424 1.00 1.00 O ATOM 953 CB MET A 58 0.504 -2.012 4.164 1.00 1.00 C ATOM 954 CG MET A 58 -0.519 -1.065 4.781 1.00 1.00 C ATOM 955 SD MET A 58 -1.702 -0.415 3.590 1.00 1.00 S ATOM 956 CE MET A 58 -0.649 0.680 2.646 1.00 1.00 C ATOM 0 H MET A 58 2.030 -3.958 4.118 1.00 1.00 H new ATOM 0 HA MET A 58 -0.790 -3.610 4.713 1.00 1.00 H new ATOM 0 HB2 MET A 58 1.393 -2.029 4.794 1.00 1.00 H new ATOM 0 HB3 MET A 58 0.808 -1.618 3.194 1.00 1.00 H new ATOM 0 HG2 MET A 58 -1.059 -1.589 5.569 1.00 1.00 H new ATOM 0 HG3 MET A 58 0.005 -0.233 5.252 1.00 1.00 H new ATOM 0 HE1 MET A 58 -1.264 1.399 2.105 1.00 1.00 H new ATOM 0 HE2 MET A 58 0.022 1.211 3.321 1.00 1.00 H new ATOM 0 HE3 MET A 58 -0.062 0.098 1.936 1.00 1.00 H new ATOM 966 N VAL A 59 0.161 -4.153 1.642 1.00 1.00 N ATOM 967 CA VAL A 59 -0.360 -4.523 0.323 1.00 1.00 C ATOM 968 C VAL A 59 -1.264 -5.743 0.504 1.00 1.00 C ATOM 969 O VAL A 59 -2.273 -5.919 -0.184 1.00 1.00 O ATOM 970 CB VAL A 59 0.777 -4.852 -0.672 1.00 1.00 C ATOM 971 CG1 VAL A 59 0.229 -5.356 -2.000 1.00 1.00 C ATOM 972 CG2 VAL A 59 1.651 -3.632 -0.896 1.00 1.00 C ATOM 0 H VAL A 59 1.168 -4.275 1.748 1.00 1.00 H new ATOM 0 HA VAL A 59 -0.914 -3.682 -0.093 1.00 1.00 H new ATOM 0 HB VAL A 59 1.380 -5.648 -0.235 1.00 1.00 H new ATOM 0 HG11 VAL A 59 1.056 -5.577 -2.674 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -0.355 -6.261 -1.833 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -0.407 -4.591 -2.445 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.447 -3.879 -1.599 1.00 1.00 H new ATOM 0 HG22 VAL A 59 1.047 -2.821 -1.303 1.00 1.00 H new ATOM 0 HG23 VAL A 59 2.088 -3.319 0.052 1.00 1.00 H new ATOM 982 N GLY A 60 -0.886 -6.575 1.466 1.00 1.00 N ATOM 983 CA GLY A 60 -1.673 -7.735 1.802 1.00 1.00 C ATOM 984 C GLY A 60 -2.944 -7.329 2.525 1.00 1.00 C ATOM 985 O GLY A 60 -3.963 -8.005 2.429 1.00 1.00 O ATOM 0 H GLY A 60 -0.039 -6.461 2.022 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -1.924 -8.285 0.895 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -1.089 -8.407 2.431 1.00 1.00 H new ATOM 989 N GLN A 61 -2.893 -6.200 3.239 1.00 1.00 N ATOM 990 CA GLN A 61 -4.071 -5.700 3.942 1.00 1.00 C ATOM 991 C GLN A 61 -5.076 -5.207 2.892 1.00 1.00 C ATOM 992 O GLN A 61 -6.291 -5.243 3.096 1.00 1.00 O ATOM 993 CB GLN A 61 -3.691 -4.607 4.952 1.00 1.00 C ATOM 994 CG GLN A 61 -4.841 -4.162 5.848 1.00 1.00 C ATOM 995 CD GLN A 61 -5.436 -5.296 6.669 1.00 1.00 C ATOM 996 OE1 GLN A 61 -4.764 -6.252 7.038 1.00 1.00 O ATOM 997 NE2 GLN A 61 -6.715 -5.196 6.967 1.00 1.00 N ATOM 0 H GLN A 61 -2.058 -5.624 3.343 1.00 1.00 H new ATOM 0 HA GLN A 61 -4.531 -6.496 4.528 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -2.877 -4.973 5.578 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -3.311 -3.741 4.409 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -4.487 -3.382 6.522 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -5.623 -3.720 5.231 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -7.252 -4.390 6.647 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -7.169 -5.925 7.517 1.00 1.00 H new ATOM 1006 N ARG A 62 -4.533 -4.776 1.749 1.00 1.00 N ATOM 1007 CA ARG A 62 -5.339 -4.359 0.610 1.00 1.00 C ATOM 1008 C ARG A 62 -6.082 -5.580 0.071 1.00 1.00 C ATOM 1009 O ARG A 62 -7.296 -5.565 -0.116 1.00 1.00 O ATOM 1010 CB ARG A 62 -4.444 -3.787 -0.502 1.00 1.00 C ATOM 1011 CG ARG A 62 -5.118 -3.746 -1.874 1.00 1.00 C ATOM 1012 CD ARG A 62 -4.152 -3.349 -3.000 1.00 1.00 C ATOM 1013 NE ARG A 62 -3.895 -1.903 -3.055 1.00 1.00 N ATOM 1014 CZ ARG A 62 -2.894 -1.341 -3.698 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -1.922 -2.056 -4.189 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -2.875 -0.053 -3.846 1.00 1.00 N ATOM 0 H ARG A 62 -3.527 -4.709 1.593 1.00 1.00 H new ATOM 0 HA ARG A 62 -6.041 -3.588 0.928 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -4.138 -2.778 -0.227 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -3.537 -4.387 -0.571 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -5.543 -4.725 -2.094 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -5.946 -3.038 -1.846 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -3.207 -3.875 -2.863 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -4.563 -3.676 -3.955 1.00 1.00 H new ATOM 0 HE ARG A 62 -4.541 -1.290 -2.558 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -1.928 -3.070 -4.078 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -1.155 -1.602 -4.684 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -3.632 0.515 -3.465 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -2.103 0.392 -4.343 1.00 1.00 H new ATOM 1030 N ARG A 63 -5.316 -6.644 -0.156 1.00 1.00 N ATOM 1031 CA ARG A 63 -5.853 -7.900 -0.664 1.00 1.00 C ATOM 1032 C ARG A 63 -6.852 -8.490 0.337 1.00 1.00 C ATOM 1033 O ARG A 63 -7.863 -9.081 -0.038 1.00 1.00 O ATOM 1034 CB ARG A 63 -4.694 -8.868 -0.917 1.00 1.00 C ATOM 1035 CG ARG A 63 -5.093 -10.173 -1.586 1.00 1.00 C ATOM 1036 CD ARG A 63 -5.638 -9.955 -2.999 1.00 1.00 C ATOM 1037 NE ARG A 63 -5.977 -11.226 -3.655 1.00 1.00 N ATOM 1038 CZ ARG A 63 -6.571 -11.342 -4.818 1.00 1.00 C ATOM 1039 NH1 ARG A 63 -6.889 -10.293 -5.517 1.00 1.00 N ATOM 1040 NH2 ARG A 63 -6.833 -12.527 -5.283 1.00 1.00 N ATOM 0 H ARG A 63 -4.309 -6.658 0.007 1.00 1.00 H new ATOM 0 HA ARG A 63 -6.383 -7.726 -1.600 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -3.950 -8.369 -1.539 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -4.213 -9.095 0.035 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -4.229 -10.836 -1.630 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -5.848 -10.674 -0.980 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -6.524 -9.322 -2.953 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -4.897 -9.424 -3.596 1.00 1.00 H new ATOM 0 HE ARG A 63 -5.730 -12.087 -3.166 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -6.677 -9.360 -5.163 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -7.351 -10.403 -6.420 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -6.577 -13.354 -4.744 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -7.295 -12.630 -6.187 1.00 1.00 H new ATOM 1054 N ARG A 64 -6.548 -8.304 1.612 1.00 1.00 N ATOM 1055 CA ARG A 64 -7.394 -8.767 2.703 1.00 1.00 C ATOM 1056 C ARG A 64 -8.725 -7.999 2.715 1.00 1.00 C ATOM 1057 O ARG A 64 -9.775 -8.578 2.988 1.00 1.00 O ATOM 1058 CB ARG A 64 -6.631 -8.587 4.011 1.00 1.00 C ATOM 1059 CG ARG A 64 -7.286 -9.188 5.239 1.00 1.00 C ATOM 1060 CD ARG A 64 -6.399 -8.959 6.460 1.00 1.00 C ATOM 1061 NE ARG A 64 -6.970 -9.490 7.704 1.00 1.00 N ATOM 1062 CZ ARG A 64 -6.619 -9.088 8.905 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -5.760 -8.121 9.056 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -7.146 -9.646 9.957 1.00 1.00 N ATOM 0 H ARG A 64 -5.703 -7.825 1.922 1.00 1.00 H new ATOM 0 HA ARG A 64 -7.637 -9.822 2.572 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -5.641 -9.028 3.897 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -6.487 -7.520 4.183 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -8.265 -8.736 5.399 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -7.448 -10.256 5.091 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -5.428 -9.424 6.287 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -6.224 -7.890 6.577 1.00 1.00 H new ATOM 0 HE ARG A 64 -7.683 -10.216 7.632 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -5.353 -7.668 8.238 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -5.494 -7.816 9.993 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -7.831 -10.394 9.848 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -6.874 -9.335 10.890 1.00 1.00 H new ATOM 1078 N LEU A 65 -8.680 -6.690 2.430 1.00 1.00 N ATOM 1079 CA LEU A 65 -9.912 -5.894 2.356 1.00 1.00 C ATOM 1080 C LEU A 65 -10.722 -6.351 1.141 1.00 1.00 C ATOM 1081 O LEU A 65 -11.944 -6.457 1.200 1.00 1.00 O ATOM 1082 CB LEU A 65 -9.632 -4.384 2.258 1.00 1.00 C ATOM 1083 CG LEU A 65 -9.748 -3.588 3.572 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -11.160 -3.656 4.139 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -8.747 -4.080 4.603 1.00 1.00 C ATOM 0 H LEU A 65 -7.822 -6.169 2.250 1.00 1.00 H new ATOM 0 HA LEU A 65 -10.473 -6.054 3.277 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -8.626 -4.246 1.861 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -10.323 -3.953 1.533 1.00 1.00 H new ATOM 0 HG LEU A 65 -9.521 -2.548 3.339 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -11.208 -3.084 5.066 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -11.862 -3.238 3.418 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -11.422 -4.695 4.340 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -8.853 -3.499 5.519 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -8.933 -5.133 4.817 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -7.736 -3.962 4.214 1.00 1.00 H new ATOM 1097 N LEU A 66 -10.029 -6.632 0.037 1.00 1.00 N ATOM 1098 CA LEU A 66 -10.692 -7.130 -1.164 1.00 1.00 C ATOM 1099 C LEU A 66 -11.412 -8.441 -0.826 1.00 1.00 C ATOM 1100 O LEU A 66 -12.583 -8.621 -1.142 1.00 1.00 O ATOM 1101 CB LEU A 66 -9.677 -7.356 -2.286 1.00 1.00 C ATOM 1102 CG LEU A 66 -8.968 -6.097 -2.792 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -7.937 -6.459 -3.846 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -9.974 -5.106 -3.356 1.00 1.00 C ATOM 0 H LEU A 66 -9.018 -6.524 -0.049 1.00 1.00 H new ATOM 0 HA LEU A 66 -11.416 -6.392 -1.510 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -8.923 -8.061 -1.935 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -10.188 -7.827 -3.126 1.00 1.00 H new ATOM 0 HG LEU A 66 -8.458 -5.628 -1.951 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -7.441 -5.554 -4.196 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -7.198 -7.134 -3.415 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -8.431 -6.950 -4.685 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -9.451 -4.218 -3.710 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -10.512 -5.566 -4.185 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -10.682 -4.823 -2.577 1.00 1.00 H new ATOM 1116 N ARG A 67 -10.685 -9.333 -0.149 1.00 1.00 N ATOM 1117 CA ARG A 67 -11.217 -10.622 0.310 1.00 1.00 C ATOM 1118 C ARG A 67 -12.456 -10.408 1.190 1.00 1.00 C ATOM 1119 O ARG A 67 -13.443 -11.141 1.099 1.00 1.00 O ATOM 1120 CB ARG A 67 -10.123 -11.336 1.120 1.00 1.00 C ATOM 1121 CG ARG A 67 -10.493 -12.711 1.662 1.00 1.00 C ATOM 1122 CD ARG A 67 -9.318 -13.311 2.444 1.00 1.00 C ATOM 1123 NE ARG A 67 -9.597 -14.652 2.990 1.00 1.00 N ATOM 1124 CZ ARG A 67 -8.677 -15.563 3.231 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -7.422 -15.323 2.983 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -9.021 -16.715 3.734 1.00 1.00 N ATOM 0 H ARG A 67 -9.707 -9.183 0.098 1.00 1.00 H new ATOM 0 HA ARG A 67 -11.508 -11.226 -0.550 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -9.240 -11.440 0.490 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -9.843 -10.698 1.959 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -11.366 -12.631 2.310 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -10.766 -13.372 0.839 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -8.448 -13.368 1.790 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -9.058 -12.641 3.263 1.00 1.00 H new ATOM 0 HE ARG A 67 -10.567 -14.890 3.195 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -7.142 -14.421 2.598 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -6.719 -16.037 3.174 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -10.001 -16.909 3.940 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -8.310 -17.422 3.922 1.00 1.00 H new ATOM 1140 N TYR A 68 -12.380 -9.385 2.031 1.00 1.00 N ATOM 1141 CA TYR A 68 -13.460 -9.033 2.946 1.00 1.00 C ATOM 1142 C TYR A 68 -14.717 -8.563 2.202 1.00 1.00 C ATOM 1143 O TYR A 68 -15.817 -9.001 2.510 1.00 1.00 O ATOM 1144 CB TYR A 68 -12.974 -7.945 3.914 1.00 1.00 C ATOM 1145 CG TYR A 68 -13.968 -7.585 4.996 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -14.019 -8.306 6.180 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -14.859 -6.532 4.829 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -14.928 -7.986 7.170 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -15.772 -6.207 5.813 1.00 1.00 C ATOM 1150 CZ TYR A 68 -15.805 -6.939 6.980 1.00 1.00 C ATOM 1151 OH TYR A 68 -16.714 -6.622 7.962 1.00 1.00 O ATOM 0 H TYR A 68 -11.566 -8.774 2.099 1.00 1.00 H new ATOM 0 HA TYR A 68 -13.735 -9.928 3.503 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -12.049 -8.280 4.384 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -12.735 -7.048 3.343 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -13.338 -9.130 6.330 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -14.837 -5.958 3.914 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -14.952 -8.553 8.089 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -16.456 -5.384 5.669 1.00 1.00 H new ATOM 0 HH TYR A 68 -17.257 -5.859 7.672 1.00 1.00 H new ATOM 1161 N LEU A 69 -14.563 -7.693 1.208 1.00 1.00 N ATOM 1162 CA LEU A 69 -15.737 -7.198 0.479 1.00 1.00 C ATOM 1163 C LEU A 69 -16.224 -8.187 -0.601 1.00 1.00 C ATOM 1164 O LEU A 69 -17.423 -8.395 -0.750 1.00 1.00 O ATOM 1165 CB LEU A 69 -15.479 -5.828 -0.185 1.00 1.00 C ATOM 1166 CG LEU A 69 -15.490 -4.581 0.727 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -16.731 -4.537 1.608 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -14.226 -4.497 1.569 1.00 1.00 C ATOM 0 H LEU A 69 -13.667 -7.322 0.892 1.00 1.00 H new ATOM 0 HA LEU A 69 -16.515 -7.090 1.235 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -14.510 -5.872 -0.683 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -16.230 -5.684 -0.962 1.00 1.00 H new ATOM 0 HG LEU A 69 -15.518 -3.709 0.074 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -16.701 -3.645 2.234 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -17.622 -4.510 0.981 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -16.760 -5.424 2.241 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -14.267 -3.608 2.199 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -14.148 -5.384 2.198 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -13.356 -4.439 0.915 1.00 1.00 H new ATOM 1180 N GLN A 70 -15.297 -8.830 -1.318 1.00 1.00 N ATOM 1181 CA GLN A 70 -15.662 -9.749 -2.421 1.00 1.00 C ATOM 1182 C GLN A 70 -16.562 -10.901 -1.986 1.00 1.00 C ATOM 1183 O GLN A 70 -17.424 -11.348 -2.739 1.00 1.00 O ATOM 1184 CB GLN A 70 -14.410 -10.369 -3.061 1.00 1.00 C ATOM 1185 CG GLN A 70 -13.645 -11.313 -2.139 1.00 1.00 C ATOM 1186 CD GLN A 70 -12.457 -11.970 -2.814 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -11.866 -11.428 -3.737 1.00 1.00 O ATOM 1188 NE2 GLN A 70 -12.095 -13.149 -2.351 1.00 1.00 N ATOM 0 H GLN A 70 -14.293 -8.738 -1.163 1.00 1.00 H new ATOM 0 HA GLN A 70 -16.207 -9.126 -3.130 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -14.705 -10.913 -3.958 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -13.743 -9.568 -3.379 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -13.299 -10.758 -1.267 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -14.323 -12.086 -1.777 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -12.609 -13.574 -1.579 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -11.300 -13.637 -2.764 1.00 1.00 H new ATOM 1197 N ARG A 71 -16.370 -11.348 -0.761 1.00 1.00 N ATOM 1198 CA ARG A 71 -17.092 -12.498 -0.237 1.00 1.00 C ATOM 1199 C ARG A 71 -18.570 -12.226 0.005 1.00 1.00 C ATOM 1200 O ARG A 71 -19.392 -13.133 -0.081 1.00 1.00 O ATOM 1201 CB ARG A 71 -16.448 -12.951 1.079 1.00 1.00 C ATOM 1202 CG ARG A 71 -16.669 -11.977 2.236 1.00 1.00 C ATOM 1203 CD ARG A 71 -15.971 -12.430 3.516 1.00 1.00 C ATOM 1204 NE ARG A 71 -16.336 -11.599 4.673 1.00 1.00 N ATOM 1205 CZ ARG A 71 -15.739 -11.640 5.838 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -14.614 -12.278 5.985 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -16.243 -10.989 6.842 1.00 1.00 N ATOM 0 H ARG A 71 -15.714 -10.930 -0.101 1.00 1.00 H new ATOM 0 HA ARG A 71 -17.028 -13.277 -0.997 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -16.851 -13.926 1.354 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -15.377 -13.081 0.924 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -16.300 -10.991 1.953 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -17.738 -11.876 2.424 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -16.230 -13.469 3.721 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -14.891 -12.394 3.371 1.00 1.00 H new ATOM 0 HE ARG A 71 -17.110 -10.944 4.560 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -14.189 -12.752 5.188 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -14.158 -12.304 6.897 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -17.100 -10.449 6.721 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -15.782 -11.018 7.751 1.00 1.00 H new ATOM 1221 N GLU A 72 -18.919 -10.986 0.270 1.00 1.00 N ATOM 1222 CA GLU A 72 -20.302 -10.677 0.594 1.00 1.00 C ATOM 1223 C GLU A 72 -20.953 -9.747 -0.438 1.00 1.00 C ATOM 1224 O GLU A 72 -22.048 -9.222 -0.241 1.00 1.00 O ATOM 1225 CB GLU A 72 -20.374 -10.155 2.031 1.00 1.00 C ATOM 1226 CG GLU A 72 -19.273 -9.174 2.418 1.00 1.00 C ATOM 1227 CD GLU A 72 -19.179 -8.982 3.922 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -18.508 -9.813 4.595 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -19.777 -8.014 4.433 1.00 1.00 O ATOM 0 H GLU A 72 -18.283 -10.188 0.269 1.00 1.00 H new ATOM 0 HA GLU A 72 -20.897 -11.588 0.540 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -21.339 -9.670 2.177 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -20.338 -11.005 2.712 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -18.317 -9.535 2.039 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -19.462 -8.212 1.942 1.00 1.00 H new ATOM 1236 N ASP A 73 -20.248 -9.605 -1.546 1.00 1.00 N ATOM 1237 CA ASP A 73 -20.672 -8.837 -2.715 1.00 1.00 C ATOM 1238 C ASP A 73 -19.580 -8.992 -3.771 1.00 1.00 C ATOM 1239 O ASP A 73 -18.532 -8.343 -3.707 1.00 1.00 O ATOM 1240 CB ASP A 73 -20.926 -7.353 -2.420 1.00 1.00 C ATOM 1241 CG ASP A 73 -21.560 -6.635 -3.601 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -20.976 -6.674 -4.703 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -22.621 -6.009 -3.419 1.00 1.00 O ATOM 0 H ASP A 73 -19.331 -10.035 -1.666 1.00 1.00 H new ATOM 0 HA ASP A 73 -21.631 -9.226 -3.058 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -21.576 -7.263 -1.550 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -19.984 -6.868 -2.165 1.00 1.00 H new ATOM 1248 N PRO A 74 -19.792 -9.882 -4.744 1.00 1.00 N ATOM 1249 CA PRO A 74 -18.800 -10.138 -5.790 1.00 1.00 C ATOM 1250 C PRO A 74 -18.668 -8.986 -6.787 1.00 1.00 C ATOM 1251 O PRO A 74 -17.626 -8.815 -7.426 1.00 1.00 O ATOM 1252 CB PRO A 74 -19.343 -11.387 -6.482 1.00 1.00 C ATOM 1253 CG PRO A 74 -20.817 -11.334 -6.262 1.00 1.00 C ATOM 1254 CD PRO A 74 -21.014 -10.692 -4.916 1.00 1.00 C ATOM 0 HA PRO A 74 -17.798 -10.255 -5.377 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -19.101 -11.387 -7.545 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -18.912 -12.294 -6.057 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -21.308 -10.756 -7.045 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -21.251 -12.334 -6.284 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -21.912 -10.075 -4.892 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -21.118 -11.436 -4.127 1.00 1.00 H new ATOM 1262 N GLU A 75 -19.706 -8.171 -6.887 1.00 1.00 N ATOM 1263 CA GLU A 75 -19.710 -7.048 -7.819 1.00 1.00 C ATOM 1264 C GLU A 75 -18.812 -5.951 -7.286 1.00 1.00 C ATOM 1265 O GLU A 75 -18.111 -5.258 -8.026 1.00 1.00 O ATOM 1266 CB GLU A 75 -21.125 -6.521 -7.996 1.00 1.00 C ATOM 1267 CG GLU A 75 -22.137 -7.595 -8.342 1.00 1.00 C ATOM 1268 CD GLU A 75 -23.491 -7.013 -8.682 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -24.239 -6.661 -7.748 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -23.802 -6.900 -9.887 1.00 1.00 O ATOM 0 H GLU A 75 -20.559 -8.264 -6.335 1.00 1.00 H new ATOM 0 HA GLU A 75 -19.339 -7.382 -8.788 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -21.436 -6.024 -7.077 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -21.126 -5.766 -8.782 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -21.771 -8.178 -9.187 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -22.239 -8.281 -7.501 1.00 1.00 H new ATOM 1277 N ARG A 76 -18.853 -5.820 -5.980 1.00 1.00 N ATOM 1278 CA ARG A 76 -18.045 -4.872 -5.256 1.00 1.00 C ATOM 1279 C ARG A 76 -16.567 -5.210 -5.435 1.00 1.00 C ATOM 1280 O ARG A 76 -15.718 -4.323 -5.479 1.00 1.00 O ATOM 1281 CB ARG A 76 -18.431 -4.949 -3.787 1.00 1.00 C ATOM 1282 CG ARG A 76 -17.925 -3.803 -2.938 1.00 1.00 C ATOM 1283 CD ARG A 76 -18.462 -2.455 -3.421 1.00 1.00 C ATOM 1284 NE ARG A 76 -19.923 -2.458 -3.631 1.00 1.00 N ATOM 1285 CZ ARG A 76 -20.703 -1.407 -3.482 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -20.257 -0.312 -2.943 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -21.958 -1.477 -3.825 1.00 1.00 N ATOM 0 H ARG A 76 -19.461 -6.380 -5.382 1.00 1.00 H new ATOM 0 HA ARG A 76 -18.212 -3.862 -5.632 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -19.518 -4.986 -3.713 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -18.051 -5.884 -3.374 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -18.221 -3.961 -1.901 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -16.835 -3.789 -2.960 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -18.207 -1.686 -2.692 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -17.967 -2.186 -4.354 1.00 1.00 H new ATOM 0 HE ARG A 76 -20.360 -3.336 -3.911 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -19.289 -0.257 -2.627 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -20.875 0.492 -2.836 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -22.334 -2.344 -4.208 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -22.564 -0.665 -3.711 1.00 1.00 H new ATOM 1301 N TYR A 77 -16.271 -6.503 -5.559 1.00 1.00 N ATOM 1302 CA TYR A 77 -14.894 -6.946 -5.767 1.00 1.00 C ATOM 1303 C TYR A 77 -14.412 -6.384 -7.087 1.00 1.00 C ATOM 1304 O TYR A 77 -13.386 -5.709 -7.174 1.00 1.00 O ATOM 1305 CB TYR A 77 -14.795 -8.480 -5.842 1.00 1.00 C ATOM 1306 CG TYR A 77 -13.381 -8.989 -6.087 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -12.307 -8.468 -5.373 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -13.115 -9.972 -7.039 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -11.018 -8.925 -5.580 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -11.825 -10.433 -7.249 1.00 1.00 C ATOM 1311 CZ TYR A 77 -10.780 -9.898 -6.526 1.00 1.00 C ATOM 1312 OH TYR A 77 -9.493 -10.352 -6.744 1.00 1.00 O ATOM 0 H TYR A 77 -16.959 -7.255 -5.520 1.00 1.00 H new ATOM 0 HA TYR A 77 -14.291 -6.599 -4.928 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -15.169 -8.906 -4.911 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -15.445 -8.839 -6.640 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -12.483 -7.692 -4.643 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -13.927 -10.381 -7.622 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -10.201 -8.520 -5.002 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -11.639 -11.209 -7.977 1.00 1.00 H new ATOM 0 HH TYR A 77 -9.502 -11.038 -7.443 1.00 1.00 H new ATOM 1322 N ARG A 78 -15.236 -6.640 -8.093 1.00 1.00 N ATOM 1323 CA ARG A 78 -14.977 -6.232 -9.456 1.00 1.00 C ATOM 1324 C ARG A 78 -14.845 -4.716 -9.586 1.00 1.00 C ATOM 1325 O ARG A 78 -13.936 -4.226 -10.245 1.00 1.00 O ATOM 1326 CB ARG A 78 -16.110 -6.729 -10.369 1.00 1.00 C ATOM 1327 CG ARG A 78 -15.920 -8.141 -10.937 1.00 1.00 C ATOM 1328 CD ARG A 78 -15.647 -9.184 -9.855 1.00 1.00 C ATOM 1329 NE ARG A 78 -15.537 -10.558 -10.388 1.00 1.00 N ATOM 1330 CZ ARG A 78 -14.405 -11.205 -10.580 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -13.265 -10.587 -10.517 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -14.424 -12.467 -10.903 1.00 1.00 N ATOM 0 H ARG A 78 -16.115 -7.145 -7.978 1.00 1.00 H new ATOM 0 HA ARG A 78 -14.028 -6.675 -9.758 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -17.044 -6.703 -9.808 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -16.217 -6.032 -11.200 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -16.813 -8.427 -11.493 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -15.092 -8.134 -11.645 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -14.724 -8.927 -9.336 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -16.448 -9.150 -9.116 1.00 1.00 H new ATOM 0 HE ARG A 78 -16.403 -11.042 -10.625 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -13.237 -9.587 -10.317 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.397 -11.101 -10.668 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -15.314 -12.953 -11.007 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -13.548 -12.969 -11.052 1.00 1.00 H new ATOM 1346 N ALA A 79 -15.718 -3.964 -8.935 1.00 1.00 N ATOM 1347 CA ALA A 79 -15.659 -2.515 -9.070 1.00 1.00 C ATOM 1348 C ALA A 79 -14.554 -1.882 -8.236 1.00 1.00 C ATOM 1349 O ALA A 79 -14.016 -0.842 -8.609 1.00 1.00 O ATOM 1350 CB ALA A 79 -17.002 -1.878 -8.783 1.00 1.00 C ATOM 0 H ALA A 79 -16.455 -4.317 -8.325 1.00 1.00 H new ATOM 0 HA ALA A 79 -15.406 -2.316 -10.111 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -16.923 -0.796 -8.893 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -17.743 -2.260 -9.485 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -17.308 -2.118 -7.765 1.00 1.00 H new ATOM 1356 N LEU A 80 -14.185 -2.484 -7.123 1.00 1.00 N ATOM 1357 CA LEU A 80 -13.112 -1.910 -6.345 1.00 1.00 C ATOM 1358 C LEU A 80 -11.776 -2.241 -7.003 1.00 1.00 C ATOM 1359 O LEU A 80 -10.806 -1.509 -6.857 1.00 1.00 O ATOM 1360 CB LEU A 80 -13.168 -2.369 -4.886 1.00 1.00 C ATOM 1361 CG LEU A 80 -12.119 -1.751 -3.946 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -12.208 -0.229 -3.937 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -12.300 -2.292 -2.536 1.00 1.00 C ATOM 0 H LEU A 80 -14.596 -3.339 -6.749 1.00 1.00 H new ATOM 0 HA LEU A 80 -13.226 -0.826 -6.325 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -14.159 -2.143 -4.492 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -13.055 -3.453 -4.862 1.00 1.00 H new ATOM 0 HG LEU A 80 -11.132 -2.028 -4.316 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -11.453 0.176 -3.263 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -12.037 0.151 -4.944 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -13.198 0.076 -3.598 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -11.553 -1.849 -1.878 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -13.297 -2.040 -2.175 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -12.180 -3.375 -2.544 1.00 1.00 H new ATOM 1375 N ILE A 81 -11.725 -3.306 -7.800 1.00 1.00 N ATOM 1376 CA ILE A 81 -10.474 -3.627 -8.458 1.00 1.00 C ATOM 1377 C ILE A 81 -10.357 -2.780 -9.713 1.00 1.00 C ATOM 1378 O ILE A 81 -9.268 -2.503 -10.217 1.00 1.00 O ATOM 1379 CB ILE A 81 -10.245 -5.143 -8.663 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -11.346 -5.865 -9.449 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -10.139 -5.759 -7.285 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -11.230 -5.739 -10.947 1.00 1.00 C ATOM 0 H ILE A 81 -12.504 -3.935 -7.997 1.00 1.00 H new ATOM 0 HA ILE A 81 -9.644 -3.366 -7.801 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.343 -5.259 -9.264 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -11.331 -6.922 -9.184 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -12.314 -5.472 -9.138 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -9.976 -6.833 -7.378 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.302 -5.310 -6.749 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -11.062 -5.578 -6.734 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -12.049 -6.279 -11.422 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -11.278 -4.687 -11.228 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -10.279 -6.159 -11.275 1.00 1.00 H new ATOM 1394 N GLU A 82 -11.510 -2.349 -10.187 1.00 1.00 N ATOM 1395 CA GLU A 82 -11.575 -1.408 -11.275 1.00 1.00 C ATOM 1396 C GLU A 82 -11.021 -0.072 -10.764 1.00 1.00 C ATOM 1397 O GLU A 82 -10.119 0.511 -11.354 1.00 1.00 O ATOM 1398 CB GLU A 82 -13.028 -1.213 -11.716 1.00 1.00 C ATOM 1399 CG GLU A 82 -13.195 -0.256 -12.885 1.00 1.00 C ATOM 1400 CD GLU A 82 -12.688 -0.847 -14.185 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -11.459 -0.837 -14.403 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -13.519 -1.353 -14.973 1.00 1.00 O ATOM 0 H GLU A 82 -12.419 -2.642 -9.828 1.00 1.00 H new ATOM 0 HA GLU A 82 -10.999 -1.774 -12.125 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -13.447 -2.181 -11.989 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -13.607 -0.842 -10.870 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -14.248 0.004 -12.992 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -12.658 0.669 -12.675 1.00 1.00 H new ATOM 1409 N LYS A 83 -11.512 0.360 -9.592 1.00 1.00 N ATOM 1410 CA LYS A 83 -11.087 1.643 -9.022 1.00 1.00 C ATOM 1411 C LYS A 83 -9.685 1.604 -8.395 1.00 1.00 C ATOM 1412 O LYS A 83 -9.088 2.651 -8.166 1.00 1.00 O ATOM 1413 CB LYS A 83 -12.133 2.201 -8.048 1.00 1.00 C ATOM 1414 CG LYS A 83 -13.428 2.617 -8.745 1.00 1.00 C ATOM 1415 CD LYS A 83 -13.169 3.638 -9.851 1.00 1.00 C ATOM 1416 CE LYS A 83 -14.448 4.056 -10.569 1.00 1.00 C ATOM 1417 NZ LYS A 83 -15.379 4.823 -9.690 1.00 1.00 N ATOM 0 H LYS A 83 -12.192 -0.152 -9.030 1.00 1.00 H new ATOM 0 HA LYS A 83 -11.011 2.332 -9.863 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.358 1.448 -7.293 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.714 3.061 -7.526 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -13.913 1.737 -9.168 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -14.116 3.040 -8.013 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -12.691 4.519 -9.423 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.471 3.217 -10.574 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -14.191 4.664 -11.436 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -14.957 3.167 -10.942 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -16.199 5.140 -10.246 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -15.702 4.214 -8.912 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -14.885 5.651 -9.299 1.00 1.00 H new ATOM 1431 N LEU A 84 -9.163 0.424 -8.077 1.00 1.00 N ATOM 1432 CA LEU A 84 -7.787 0.354 -7.581 1.00 1.00 C ATOM 1433 C LEU A 84 -6.826 0.353 -8.768 1.00 1.00 C ATOM 1434 O LEU A 84 -5.670 0.747 -8.656 1.00 1.00 O ATOM 1435 CB LEU A 84 -7.538 -0.886 -6.724 1.00 1.00 C ATOM 1436 CG LEU A 84 -8.321 -0.944 -5.415 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -7.893 -2.155 -4.606 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -8.138 0.337 -4.611 1.00 1.00 C ATOM 0 H LEU A 84 -9.649 -0.470 -8.149 1.00 1.00 H new ATOM 0 HA LEU A 84 -7.619 1.226 -6.948 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -7.782 -1.770 -7.314 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -6.474 -0.941 -6.494 1.00 1.00 H new ATOM 0 HG LEU A 84 -9.381 -1.038 -5.650 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -8.457 -2.188 -3.674 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -8.086 -3.062 -5.179 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -6.828 -2.086 -4.383 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -8.707 0.269 -3.684 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -7.082 0.474 -4.380 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -8.495 1.186 -5.194 1.00 1.00 H new ATOM 1450 N GLY A 85 -7.318 -0.102 -9.911 1.00 1.00 N ATOM 1451 CA GLY A 85 -6.494 -0.128 -11.103 1.00 1.00 C ATOM 1452 C GLY A 85 -5.905 -1.487 -11.361 1.00 1.00 C ATOM 1453 O GLY A 85 -4.780 -1.628 -11.813 1.00 1.00 O ATOM 0 H GLY A 85 -8.268 -0.452 -10.035 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -7.092 0.175 -11.962 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -5.690 0.601 -11.002 1.00 1.00 H new ATOM 1457 N ILE A 86 -6.676 -2.483 -11.046 1.00 1.00 N ATOM 1458 CA ILE A 86 -6.287 -3.855 -11.239 1.00 1.00 C ATOM 1459 C ILE A 86 -6.612 -4.274 -12.691 1.00 1.00 C ATOM 1460 O ILE A 86 -6.026 -5.184 -13.257 1.00 1.00 O ATOM 1461 CB ILE A 86 -7.052 -4.687 -10.217 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -6.576 -4.370 -8.784 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -6.980 -6.162 -10.528 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -5.099 -4.596 -8.520 1.00 1.00 C ATOM 0 H ILE A 86 -7.606 -2.369 -10.642 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.217 -4.003 -11.093 1.00 1.00 H new ATOM 0 HB ILE A 86 -8.104 -4.410 -10.281 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.811 -3.329 -8.564 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -7.149 -4.980 -8.086 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -7.538 -6.720 -9.776 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -7.411 -6.348 -11.512 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -5.939 -6.485 -10.521 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -4.872 -4.343 -7.484 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -4.853 -5.642 -8.700 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -4.510 -3.965 -9.185 1.00 1.00 H new ATOM 1476 N ARG A 87 -7.583 -3.569 -13.243 1.00 1.00 N ATOM 1477 CA ARG A 87 -7.936 -3.736 -14.607 1.00 1.00 C ATOM 1478 C ARG A 87 -7.218 -2.735 -15.381 1.00 1.00 C ATOM 1479 O ARG A 87 -7.341 -2.637 -16.603 1.00 1.00 O ATOM 1480 CB ARG A 87 -9.441 -3.522 -14.798 1.00 1.00 C ATOM 1481 CG ARG A 87 -10.249 -4.463 -13.938 1.00 1.00 C ATOM 1482 CD ARG A 87 -11.720 -4.376 -14.272 1.00 1.00 C ATOM 1483 NE ARG A 87 -12.021 -5.002 -15.562 1.00 1.00 N ATOM 1484 CZ ARG A 87 -13.171 -4.919 -16.177 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -14.074 -4.071 -15.783 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -13.387 -5.649 -17.234 1.00 1.00 N ATOM 0 H ARG A 87 -8.136 -2.872 -12.745 1.00 1.00 H new ATOM 0 HA ARG A 87 -7.680 -4.744 -14.932 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -9.697 -2.492 -14.551 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -9.700 -3.672 -15.846 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -9.899 -5.485 -14.084 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -10.097 -4.221 -12.886 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -12.301 -4.862 -13.488 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -12.027 -3.330 -14.295 1.00 1.00 H new ATOM 0 HE ARG A 87 -11.281 -5.541 -16.012 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -13.888 -3.462 -14.986 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -14.968 -4.015 -16.271 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -12.661 -6.279 -17.576 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -14.282 -5.590 -17.720 1.00 1.00 H new ATOM 1500 N GLY A 88 -6.503 -1.875 -14.737 1.00 1.00 N ATOM 1501 CA GLY A 88 -5.888 -0.983 -15.617 1.00 1.00 C ATOM 1502 C GLY A 88 -4.458 -1.248 -15.901 1.00 1.00 C ATOM 1503 O GLY A 88 -3.899 -2.213 -15.340 1.00 1.00 O ATOM 1504 OXT GLY A 88 -3.911 -0.455 -16.669 1.00 1.00 O ATOM 0 H GLY A 88 -6.348 -1.780 -13.733 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -6.435 -0.995 -16.559 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -5.978 0.023 -15.208 1.00 1.00 H new