USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 0 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 85 SER OG : rot -125:sc= 0.918 USER MOD Set 1.2: A 91 SER OG : rot -89:sc= 0.453 USER MOD Set 2.1: A 39 HIS : no HE2:sc= -8.58 K(o=-15,f=-20!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= -6.45! C(o=-15!,f=-20!) USER MOD Single : A 1 ASP N :NH3+ 169:sc= -0.109 (180deg=-0.185) USER MOD Single : A 2 LYS NZ :NH3+ 151:sc= -1.02 (180deg=-2.29!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -137:sc= 0.037 USER MOD Single : A 7 TYR OH : rot 176:sc= -2.07 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 13 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -4.65! K(o=-4.6!,f=-1.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -170:sc= -0.127 USER MOD Single : A 26 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.21) USER MOD Single : A 27 HIS : no HD1:sc= -0.379 K(o=-0.38,f=-1.3) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -140:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00394 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0142 K(o=-0.014,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 57 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.5) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0581 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -90:sc= -1.26 USER MOD Single : A 74 TYR OH : rot 15:sc= -0.367 USER MOD Single : A 80 HIS : no HD1:sc= -4.58! C(o=-4.6!,f=-9.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -136:sc= -0.216 (180deg=-1.43) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0648 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -2.142 -5.927 48.207 1.00 0.00 N ATOM 2 CA ASP A 1 -3.488 -5.286 48.177 1.00 0.00 C ATOM 3 C ASP A 1 -3.674 -4.555 46.846 1.00 0.00 C ATOM 4 O ASP A 1 -4.341 -3.539 46.776 1.00 0.00 O ATOM 5 CB ASP A 1 -3.602 -4.286 49.329 1.00 0.00 C ATOM 6 CG ASP A 1 -3.693 -5.043 50.655 1.00 0.00 C ATOM 7 OD1 ASP A 1 -4.796 -5.385 51.045 1.00 0.00 O ATOM 8 OD2 ASP A 1 -2.656 -5.267 51.259 1.00 0.00 O ATOM 0 H1 ASP A 1 -1.939 -6.263 49.170 1.00 0.00 H new ATOM 0 H2 ASP A 1 -2.126 -6.732 47.549 1.00 0.00 H new ATOM 0 H3 ASP A 1 -1.421 -5.234 47.923 1.00 0.00 H new ATOM 0 HA ASP A 1 -4.258 -6.050 48.282 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -2.737 -3.623 49.336 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -4.484 -3.659 49.195 1.00 0.00 H new ATOM 9 N LYS A 2 -3.091 -5.067 45.793 1.00 0.00 N ATOM 10 CA LYS A 2 -3.228 -4.409 44.460 1.00 0.00 C ATOM 11 C LYS A 2 -3.872 -5.385 43.473 1.00 0.00 C ATOM 12 O LYS A 2 -3.280 -6.381 43.099 1.00 0.00 O ATOM 13 CB LYS A 2 -1.845 -4.003 43.948 1.00 0.00 C ATOM 14 CG LYS A 2 -1.148 -3.130 44.992 1.00 0.00 C ATOM 15 CD LYS A 2 0.353 -3.088 44.703 1.00 0.00 C ATOM 16 CE LYS A 2 1.051 -4.222 45.456 1.00 0.00 C ATOM 17 NZ LYS A 2 0.829 -5.507 44.737 1.00 0.00 N ATOM 0 H LYS A 2 -2.524 -5.915 45.799 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.855 -3.522 44.555 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.247 -4.891 43.744 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.939 -3.459 43.008 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.561 -2.122 44.972 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.326 -3.528 45.991 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.530 -3.185 43.632 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.766 -2.127 45.008 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.119 -4.017 45.535 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.663 -4.290 46.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.632 -6.145 44.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.046 -5.951 45.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.745 -5.324 43.717 1.00 0.00 H new ATOM 18 N ASP A 3 -5.079 -5.107 43.051 1.00 0.00 N ATOM 19 CA ASP A 3 -5.768 -6.014 42.087 1.00 0.00 C ATOM 20 C ASP A 3 -7.113 -5.404 41.686 1.00 0.00 C ATOM 21 O ASP A 3 -7.618 -4.509 42.337 1.00 0.00 O ATOM 22 CB ASP A 3 -6.002 -7.374 42.746 1.00 0.00 C ATOM 23 CG ASP A 3 -6.482 -8.375 41.694 1.00 0.00 C ATOM 24 OD1 ASP A 3 -7.673 -8.396 41.426 1.00 0.00 O ATOM 25 OD2 ASP A 3 -5.653 -9.105 41.175 1.00 0.00 O ATOM 0 H ASP A 3 -5.618 -4.288 43.334 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.147 -6.141 41.200 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.081 -7.729 43.208 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.742 -7.282 43.541 1.00 0.00 H new ATOM 26 N VAL A 4 -7.694 -5.885 40.615 1.00 0.00 N ATOM 27 CA VAL A 4 -9.008 -5.342 40.159 1.00 0.00 C ATOM 28 C VAL A 4 -10.070 -5.615 41.235 1.00 0.00 C ATOM 29 O VAL A 4 -10.207 -6.723 41.722 1.00 0.00 O ATOM 30 CB VAL A 4 -9.400 -6.018 38.825 1.00 0.00 C ATOM 31 CG1 VAL A 4 -10.886 -5.796 38.503 1.00 0.00 C ATOM 32 CG2 VAL A 4 -8.567 -5.418 37.691 1.00 0.00 C ATOM 0 H VAL A 4 -7.312 -6.633 40.036 1.00 0.00 H new ATOM 0 HA VAL A 4 -8.937 -4.266 40.002 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.214 -7.088 38.922 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -11.131 -6.283 37.559 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.498 -6.220 39.299 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.085 -4.727 38.422 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.840 -5.892 36.748 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.758 -4.347 37.627 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.508 -5.587 37.888 1.00 0.00 H new ATOM 33 N LYS A 5 -10.838 -4.615 41.575 1.00 0.00 N ATOM 34 CA LYS A 5 -11.919 -4.799 42.582 1.00 0.00 C ATOM 35 C LYS A 5 -13.238 -4.961 41.826 1.00 0.00 C ATOM 36 O LYS A 5 -13.708 -4.041 41.188 1.00 0.00 O ATOM 37 CB LYS A 5 -11.993 -3.570 43.492 1.00 0.00 C ATOM 38 CG LYS A 5 -11.011 -3.735 44.654 1.00 0.00 C ATOM 39 CD LYS A 5 -11.312 -2.691 45.730 1.00 0.00 C ATOM 40 CE LYS A 5 -10.883 -1.307 45.238 1.00 0.00 C ATOM 41 NZ LYS A 5 -11.557 -0.258 46.054 1.00 0.00 N ATOM 0 H LYS A 5 -10.761 -3.672 41.194 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.721 -5.676 43.198 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.754 -2.670 42.925 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.007 -3.447 43.873 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.092 -4.738 45.073 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.987 -3.620 44.298 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.377 -2.691 45.963 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.784 -2.940 46.651 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.801 -1.202 45.314 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.142 -1.187 44.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.265 0.683 45.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.588 -0.354 45.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.288 -0.369 47.053 1.00 0.00 H new ATOM 42 N TYR A 6 -13.824 -6.130 41.873 1.00 0.00 N ATOM 43 CA TYR A 6 -15.099 -6.359 41.132 1.00 0.00 C ATOM 44 C TYR A 6 -16.272 -5.779 41.920 1.00 0.00 C ATOM 45 O TYR A 6 -16.267 -5.757 43.137 1.00 0.00 O ATOM 46 CB TYR A 6 -15.311 -7.858 40.923 1.00 0.00 C ATOM 47 CG TYR A 6 -14.089 -8.448 40.256 1.00 0.00 C ATOM 48 CD1 TYR A 6 -13.022 -8.917 41.035 1.00 0.00 C ATOM 49 CD2 TYR A 6 -14.019 -8.521 38.860 1.00 0.00 C ATOM 50 CE1 TYR A 6 -11.888 -9.457 40.416 1.00 0.00 C ATOM 51 CE2 TYR A 6 -12.885 -9.062 38.242 1.00 0.00 C ATOM 52 CZ TYR A 6 -11.819 -9.529 39.020 1.00 0.00 C ATOM 53 OH TYR A 6 -10.702 -10.061 38.411 1.00 0.00 O ATOM 0 H TYR A 6 -13.474 -6.935 42.393 1.00 0.00 H new ATOM 0 HA TYR A 6 -15.041 -5.864 40.163 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -15.489 -8.348 41.880 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -16.194 -8.030 40.307 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -13.075 -8.862 42.112 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -14.840 -8.160 38.259 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.066 -9.818 41.016 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -12.833 -9.119 37.165 1.00 0.00 H new ATOM 0 HH TYR A 6 -10.449 -9.502 37.647 1.00 0.00 H new ATOM 54 N TYR A 7 -17.271 -5.299 41.228 1.00 0.00 N ATOM 55 CA TYR A 7 -18.455 -4.702 41.919 1.00 0.00 C ATOM 56 C TYR A 7 -19.705 -5.504 41.550 1.00 0.00 C ATOM 57 O TYR A 7 -19.940 -5.803 40.393 1.00 0.00 O ATOM 58 CB TYR A 7 -18.642 -3.234 41.487 1.00 0.00 C ATOM 59 CG TYR A 7 -17.293 -2.555 41.342 1.00 0.00 C ATOM 60 CD1 TYR A 7 -16.540 -2.751 40.177 1.00 0.00 C ATOM 61 CD2 TYR A 7 -16.792 -1.746 42.368 1.00 0.00 C ATOM 62 CE1 TYR A 7 -15.291 -2.138 40.036 1.00 0.00 C ATOM 63 CE2 TYR A 7 -15.539 -1.133 42.227 1.00 0.00 C ATOM 64 CZ TYR A 7 -14.790 -1.330 41.061 1.00 0.00 C ATOM 65 OH TYR A 7 -13.556 -0.730 40.926 1.00 0.00 O ATOM 0 H TYR A 7 -17.319 -5.294 40.209 1.00 0.00 H new ATOM 0 HA TYR A 7 -18.295 -4.734 42.997 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -19.182 -3.192 40.541 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -19.247 -2.705 42.223 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -16.925 -3.377 39.386 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -17.370 -1.594 43.268 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -14.714 -2.289 39.136 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -15.152 -0.509 43.018 1.00 0.00 H new ATOM 0 HH TYR A 7 -13.387 -0.152 41.699 1.00 0.00 H new ATOM 66 N THR A 8 -20.503 -5.860 42.525 1.00 0.00 N ATOM 67 CA THR A 8 -21.737 -6.651 42.244 1.00 0.00 C ATOM 68 C THR A 8 -22.660 -5.875 41.300 1.00 0.00 C ATOM 69 O THR A 8 -22.575 -4.664 41.187 1.00 0.00 O ATOM 70 CB THR A 8 -22.474 -6.927 43.558 1.00 0.00 C ATOM 71 OG1 THR A 8 -22.490 -5.744 44.346 1.00 0.00 O ATOM 72 CG2 THR A 8 -21.759 -8.041 44.323 1.00 0.00 C ATOM 0 H THR A 8 -20.351 -5.635 43.508 1.00 0.00 H new ATOM 0 HA THR A 8 -21.455 -7.592 41.772 1.00 0.00 H new ATOM 0 HB THR A 8 -23.497 -7.237 43.343 1.00 0.00 H new ATOM 0 HG1 THR A 8 -22.963 -5.917 45.187 1.00 0.00 H new ATOM 0 HG21 THR A 8 -22.285 -8.236 45.258 1.00 0.00 H new ATOM 0 HG22 THR A 8 -21.746 -8.948 43.718 1.00 0.00 H new ATOM 0 HG23 THR A 8 -20.736 -7.735 44.540 1.00 0.00 H new ATOM 73 N LEU A 9 -23.544 -6.568 40.626 1.00 0.00 N ATOM 74 CA LEU A 9 -24.482 -5.885 39.687 1.00 0.00 C ATOM 75 C LEU A 9 -25.388 -4.939 40.479 1.00 0.00 C ATOM 76 O LEU A 9 -25.839 -3.933 39.968 1.00 0.00 O ATOM 77 CB LEU A 9 -25.347 -6.925 38.965 1.00 0.00 C ATOM 78 CG LEU A 9 -24.462 -7.976 38.288 1.00 0.00 C ATOM 79 CD1 LEU A 9 -25.345 -9.029 37.620 1.00 0.00 C ATOM 80 CD2 LEU A 9 -23.583 -7.309 37.226 1.00 0.00 C ATOM 0 H LEU A 9 -23.655 -7.580 40.687 1.00 0.00 H new ATOM 0 HA LEU A 9 -23.908 -5.321 38.952 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -26.017 -7.408 39.677 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -25.973 -6.433 38.221 1.00 0.00 H new ATOM 0 HG LEU A 9 -23.828 -8.448 39.039 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -24.717 -9.778 37.138 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -25.970 -9.510 38.372 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -25.979 -8.551 36.873 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -22.956 -8.061 36.748 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -24.216 -6.834 36.476 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -22.951 -6.556 37.697 1.00 0.00 H new ATOM 81 N GLU A 10 -25.656 -5.259 41.720 1.00 0.00 N ATOM 82 CA GLU A 10 -26.531 -4.384 42.553 1.00 0.00 C ATOM 83 C GLU A 10 -25.805 -3.070 42.843 1.00 0.00 C ATOM 84 O GLU A 10 -26.419 -2.025 42.956 1.00 0.00 O ATOM 85 CB GLU A 10 -26.855 -5.091 43.870 1.00 0.00 C ATOM 86 CG GLU A 10 -27.994 -6.087 43.650 1.00 0.00 C ATOM 87 CD GLU A 10 -28.558 -6.527 45.003 1.00 0.00 C ATOM 88 OE1 GLU A 10 -29.466 -5.871 45.485 1.00 0.00 O ATOM 89 OE2 GLU A 10 -28.071 -7.512 45.532 1.00 0.00 O ATOM 0 H GLU A 10 -25.304 -6.092 42.192 1.00 0.00 H new ATOM 0 HA GLU A 10 -27.457 -4.178 42.016 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.972 -5.610 44.243 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -27.139 -4.360 44.627 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -28.779 -5.630 43.048 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.632 -6.953 43.096 1.00 0.00 H new ATOM 90 N GLU A 11 -24.502 -3.116 42.960 1.00 0.00 N ATOM 91 CA GLU A 11 -23.724 -1.875 43.240 1.00 0.00 C ATOM 92 C GLU A 11 -23.890 -0.899 42.073 1.00 0.00 C ATOM 93 O GLU A 11 -24.219 0.257 42.262 1.00 0.00 O ATOM 94 CB GLU A 11 -22.243 -2.225 43.406 1.00 0.00 C ATOM 95 CG GLU A 11 -21.927 -2.421 44.889 1.00 0.00 C ATOM 96 CD GLU A 11 -20.504 -1.937 45.177 1.00 0.00 C ATOM 97 OE1 GLU A 11 -19.576 -2.667 44.862 1.00 0.00 O ATOM 98 OE2 GLU A 11 -20.365 -0.847 45.706 1.00 0.00 O ATOM 0 H GLU A 11 -23.943 -3.965 42.873 1.00 0.00 H new ATOM 0 HA GLU A 11 -24.091 -1.414 44.157 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.009 -3.133 42.851 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.622 -1.430 42.993 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -22.641 -1.868 45.500 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -22.026 -3.473 45.157 1.00 0.00 H new ATOM 99 N ILE A 12 -23.663 -1.360 40.870 1.00 0.00 N ATOM 100 CA ILE A 12 -23.805 -0.465 39.680 1.00 0.00 C ATOM 101 C ILE A 12 -25.291 -0.226 39.373 1.00 0.00 C ATOM 102 O ILE A 12 -25.636 0.686 38.645 1.00 0.00 O ATOM 103 CB ILE A 12 -23.133 -1.113 38.463 1.00 0.00 C ATOM 104 CG1 ILE A 12 -21.714 -1.590 38.835 1.00 0.00 C ATOM 105 CG2 ILE A 12 -23.050 -0.086 37.329 1.00 0.00 C ATOM 106 CD1 ILE A 12 -21.589 -3.094 38.578 1.00 0.00 C ATOM 0 H ILE A 12 -23.385 -2.318 40.659 1.00 0.00 H new ATOM 0 HA ILE A 12 -23.326 0.489 39.898 1.00 0.00 H new ATOM 0 HB ILE A 12 -23.721 -1.972 38.140 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -20.973 -1.048 38.247 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -21.510 -1.373 39.884 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -22.573 -0.541 36.461 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -24.054 0.242 37.061 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -22.463 0.772 37.657 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -20.585 -3.426 38.842 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -22.320 -3.629 39.185 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -21.773 -3.299 37.524 1.00 0.00 H new ATOM 107 N GLN A 13 -26.173 -1.038 39.913 1.00 0.00 N ATOM 108 CA GLN A 13 -27.631 -0.855 39.644 1.00 0.00 C ATOM 109 C GLN A 13 -28.144 0.370 40.404 1.00 0.00 C ATOM 110 O GLN A 13 -29.038 1.061 39.949 1.00 0.00 O ATOM 111 CB GLN A 13 -28.394 -2.097 40.108 1.00 0.00 C ATOM 112 CG GLN A 13 -28.502 -3.092 38.952 1.00 0.00 C ATOM 113 CD GLN A 13 -28.859 -4.475 39.499 1.00 0.00 C ATOM 114 OE1 GLN A 13 -29.456 -4.589 40.550 1.00 0.00 O ATOM 115 NE2 GLN A 13 -28.517 -5.539 38.824 1.00 0.00 N ATOM 0 H GLN A 13 -25.942 -1.818 40.528 1.00 0.00 H new ATOM 0 HA GLN A 13 -27.786 -0.709 38.575 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -27.880 -2.558 40.952 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -29.389 -1.817 40.455 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -29.263 -2.762 38.244 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -27.559 -3.137 38.408 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -28.015 -5.443 37.941 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -28.751 -6.466 39.180 1.00 0.00 H new ATOM 116 N LYS A 14 -27.585 0.644 41.554 1.00 0.00 N ATOM 117 CA LYS A 14 -28.033 1.824 42.350 1.00 0.00 C ATOM 118 C LYS A 14 -27.176 3.038 41.976 1.00 0.00 C ATOM 119 O LYS A 14 -26.626 3.714 42.825 1.00 0.00 O ATOM 120 CB LYS A 14 -27.878 1.520 43.844 1.00 0.00 C ATOM 121 CG LYS A 14 -28.974 2.243 44.628 1.00 0.00 C ATOM 122 CD LYS A 14 -30.317 1.549 44.389 1.00 0.00 C ATOM 123 CE LYS A 14 -30.497 0.419 45.403 1.00 0.00 C ATOM 124 NZ LYS A 14 -31.264 0.921 46.578 1.00 0.00 N ATOM 0 H LYS A 14 -26.834 0.098 41.977 1.00 0.00 H new ATOM 0 HA LYS A 14 -29.080 2.039 42.135 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -27.942 0.446 44.016 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -26.896 1.841 44.191 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -28.736 2.241 45.692 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -29.031 3.286 44.316 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -31.131 2.268 44.482 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -30.357 1.151 43.375 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -31.024 -0.417 44.942 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -29.524 0.045 45.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -31.386 0.152 47.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -30.745 1.705 47.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -32.197 1.257 46.266 1.00 0.00 H new ATOM 125 N HIS A 15 -27.058 3.310 40.701 1.00 0.00 N ATOM 126 CA HIS A 15 -26.238 4.469 40.249 1.00 0.00 C ATOM 127 C HIS A 15 -26.913 5.127 39.040 1.00 0.00 C ATOM 128 O HIS A 15 -28.050 4.833 38.726 1.00 0.00 O ATOM 129 CB HIS A 15 -24.841 3.969 39.870 1.00 0.00 C ATOM 130 CG HIS A 15 -23.965 3.980 41.092 1.00 0.00 C ATOM 131 ND1 HIS A 15 -22.906 4.861 41.236 1.00 0.00 N ATOM 132 CD2 HIS A 15 -23.987 3.227 42.240 1.00 0.00 C ATOM 133 CE1 HIS A 15 -22.338 4.619 42.431 1.00 0.00 C ATOM 134 NE2 HIS A 15 -22.959 3.633 43.084 1.00 0.00 N ATOM 0 H HIS A 15 -27.497 2.775 39.952 1.00 0.00 H new ATOM 0 HA HIS A 15 -26.152 5.205 41.048 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -24.901 2.961 39.460 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -24.412 4.604 39.094 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -24.695 2.440 42.455 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -21.484 5.156 42.816 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -22.729 3.258 44.004 1.00 0.00 H new ATOM 135 N LYS A 16 -26.228 6.022 38.365 1.00 0.00 N ATOM 136 CA LYS A 16 -26.827 6.714 37.179 1.00 0.00 C ATOM 137 C LYS A 16 -27.920 7.669 37.654 1.00 0.00 C ATOM 138 O LYS A 16 -28.942 7.830 37.013 1.00 0.00 O ATOM 139 CB LYS A 16 -27.425 5.691 36.202 1.00 0.00 C ATOM 140 CG LYS A 16 -27.507 6.306 34.804 1.00 0.00 C ATOM 141 CD LYS A 16 -28.477 5.493 33.944 1.00 0.00 C ATOM 142 CE LYS A 16 -29.164 6.417 32.937 1.00 0.00 C ATOM 143 NZ LYS A 16 -28.202 6.773 31.853 1.00 0.00 N ATOM 0 H LYS A 16 -25.273 6.304 38.587 1.00 0.00 H new ATOM 0 HA LYS A 16 -26.046 7.271 36.662 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -26.810 4.792 36.179 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -28.418 5.390 36.537 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -27.843 7.341 34.870 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -26.519 6.320 34.343 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -27.940 4.702 33.420 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -29.221 5.009 34.576 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -30.040 5.925 32.514 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -29.516 7.320 33.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -28.668 7.401 31.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -27.380 7.259 32.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -27.887 5.907 31.370 1.00 0.00 H new ATOM 144 N ASP A 17 -27.705 8.307 38.778 1.00 0.00 N ATOM 145 CA ASP A 17 -28.719 9.261 39.311 1.00 0.00 C ATOM 146 C ASP A 17 -28.283 10.693 38.985 1.00 0.00 C ATOM 147 O ASP A 17 -27.799 11.415 39.836 1.00 0.00 O ATOM 148 CB ASP A 17 -28.834 9.089 40.828 1.00 0.00 C ATOM 149 CG ASP A 17 -29.661 7.839 41.138 1.00 0.00 C ATOM 150 OD1 ASP A 17 -29.469 6.842 40.460 1.00 0.00 O ATOM 151 OD2 ASP A 17 -30.470 7.899 42.050 1.00 0.00 O ATOM 0 H ASP A 17 -26.866 8.206 39.350 1.00 0.00 H new ATOM 0 HA ASP A 17 -29.688 9.062 38.853 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -27.842 9.001 41.271 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -29.304 9.968 41.270 1.00 0.00 H new ATOM 152 N SER A 18 -28.454 11.105 37.754 1.00 0.00 N ATOM 153 CA SER A 18 -28.056 12.488 37.350 1.00 0.00 C ATOM 154 C SER A 18 -26.548 12.676 37.553 1.00 0.00 C ATOM 155 O SER A 18 -26.093 12.985 38.637 1.00 0.00 O ATOM 156 CB SER A 18 -28.816 13.513 38.198 1.00 0.00 C ATOM 157 OG SER A 18 -28.786 14.775 37.544 1.00 0.00 O ATOM 0 H SER A 18 -28.855 10.539 37.007 1.00 0.00 H new ATOM 0 HA SER A 18 -28.299 12.635 36.298 1.00 0.00 H new ATOM 0 HB2 SER A 18 -29.847 13.190 38.343 1.00 0.00 H new ATOM 0 HB3 SER A 18 -28.364 13.592 39.187 1.00 0.00 H new ATOM 0 HG SER A 18 -29.273 15.434 38.082 1.00 0.00 H new ATOM 158 N LYS A 19 -25.777 12.501 36.509 1.00 0.00 N ATOM 159 CA LYS A 19 -24.296 12.677 36.614 1.00 0.00 C ATOM 160 C LYS A 19 -23.719 11.696 37.638 1.00 0.00 C ATOM 161 O LYS A 19 -24.437 11.104 38.423 1.00 0.00 O ATOM 162 CB LYS A 19 -23.982 14.112 37.051 1.00 0.00 C ATOM 163 CG LYS A 19 -22.634 14.542 36.470 1.00 0.00 C ATOM 164 CD LYS A 19 -22.454 16.048 36.657 1.00 0.00 C ATOM 165 CE LYS A 19 -22.037 16.338 38.100 1.00 0.00 C ATOM 166 NZ LYS A 19 -22.502 17.699 38.489 1.00 0.00 N ATOM 0 H LYS A 19 -26.113 12.242 35.581 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.846 12.481 35.641 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -24.768 14.787 36.711 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -23.957 14.174 38.139 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -21.825 14.004 36.965 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.585 14.288 35.411 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.698 16.423 35.967 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -23.384 16.568 36.425 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -22.464 15.591 38.770 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.953 16.271 38.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.218 17.896 39.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -22.075 18.406 37.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -23.538 17.747 38.412 1.00 0.00 H new ATOM 167 N SER A 20 -22.421 11.526 37.633 1.00 0.00 N ATOM 168 CA SER A 20 -21.763 10.593 38.598 1.00 0.00 C ATOM 169 C SER A 20 -22.296 9.171 38.399 1.00 0.00 C ATOM 170 O SER A 20 -23.245 8.764 39.042 1.00 0.00 O ATOM 171 CB SER A 20 -22.051 11.049 40.030 1.00 0.00 C ATOM 172 OG SER A 20 -20.999 11.898 40.473 1.00 0.00 O ATOM 0 H SER A 20 -21.782 11.999 36.994 1.00 0.00 H new ATOM 0 HA SER A 20 -20.687 10.600 38.421 1.00 0.00 H new ATOM 0 HB2 SER A 20 -23.003 11.578 40.071 1.00 0.00 H new ATOM 0 HB3 SER A 20 -22.138 10.185 40.689 1.00 0.00 H new ATOM 0 HG SER A 20 -21.181 12.193 41.389 1.00 0.00 H new ATOM 173 N THR A 21 -21.690 8.415 37.516 1.00 0.00 N ATOM 174 CA THR A 21 -22.158 7.021 37.279 1.00 0.00 C ATOM 175 C THR A 21 -21.068 6.209 36.562 1.00 0.00 C ATOM 176 O THR A 21 -20.033 6.734 36.172 1.00 0.00 O ATOM 177 CB THR A 21 -23.439 7.060 36.434 1.00 0.00 C ATOM 178 OG1 THR A 21 -23.995 5.756 36.355 1.00 0.00 O ATOM 179 CG2 THR A 21 -23.139 7.577 35.021 1.00 0.00 C ATOM 0 H THR A 21 -20.892 8.706 36.951 1.00 0.00 H new ATOM 0 HA THR A 21 -22.368 6.539 38.234 1.00 0.00 H new ATOM 0 HB THR A 21 -24.150 7.736 36.909 1.00 0.00 H new ATOM 0 HG1 THR A 21 -24.717 5.748 35.693 1.00 0.00 H new ATOM 0 HG21 THR A 21 -24.060 7.597 34.438 1.00 0.00 H new ATOM 0 HG22 THR A 21 -22.726 8.584 35.082 1.00 0.00 H new ATOM 0 HG23 THR A 21 -22.418 6.918 34.538 1.00 0.00 H new ATOM 180 N TRP A 22 -21.300 4.931 36.382 1.00 0.00 N ATOM 181 CA TRP A 22 -20.291 4.078 35.686 1.00 0.00 C ATOM 182 C TRP A 22 -20.965 3.327 34.534 1.00 0.00 C ATOM 183 O TRP A 22 -22.169 3.155 34.511 1.00 0.00 O ATOM 184 CB TRP A 22 -19.658 3.037 36.641 1.00 0.00 C ATOM 185 CG TRP A 22 -19.586 3.530 38.059 1.00 0.00 C ATOM 186 CD1 TRP A 22 -19.249 4.783 38.446 1.00 0.00 C ATOM 187 CD2 TRP A 22 -19.837 2.783 39.287 1.00 0.00 C ATOM 188 NE1 TRP A 22 -19.282 4.852 39.826 1.00 0.00 N ATOM 189 CE2 TRP A 22 -19.639 3.646 40.390 1.00 0.00 C ATOM 190 CE3 TRP A 22 -20.215 1.453 39.546 1.00 0.00 C ATOM 191 CZ2 TRP A 22 -19.809 3.206 41.703 1.00 0.00 C ATOM 192 CZ3 TRP A 22 -20.388 1.008 40.867 1.00 0.00 C ATOM 193 CH2 TRP A 22 -20.185 1.882 41.943 1.00 0.00 C ATOM 0 H TRP A 22 -22.143 4.444 36.687 1.00 0.00 H new ATOM 0 HA TRP A 22 -19.504 4.737 35.318 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -20.241 2.116 36.608 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -18.655 2.792 36.293 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -18.995 5.597 37.783 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -19.068 5.693 40.362 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -20.373 0.770 38.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -19.651 3.884 42.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -20.679 -0.015 41.055 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -20.319 1.533 42.956 1.00 0.00 H new ATOM 194 N VAL A 23 -20.187 2.867 33.586 1.00 0.00 N ATOM 195 CA VAL A 23 -20.757 2.108 32.433 1.00 0.00 C ATOM 196 C VAL A 23 -20.065 0.744 32.357 1.00 0.00 C ATOM 197 O VAL A 23 -19.023 0.541 32.951 1.00 0.00 O ATOM 198 CB VAL A 23 -20.516 2.883 31.134 1.00 0.00 C ATOM 199 CG1 VAL A 23 -21.171 2.147 29.963 1.00 0.00 C ATOM 200 CG2 VAL A 23 -21.127 4.280 31.256 1.00 0.00 C ATOM 0 H VAL A 23 -19.174 2.986 33.562 1.00 0.00 H new ATOM 0 HA VAL A 23 -21.830 1.974 32.569 1.00 0.00 H new ATOM 0 HB VAL A 23 -19.443 2.963 30.957 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -20.997 2.702 29.041 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -20.740 1.150 29.873 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -22.243 2.064 30.139 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -20.957 4.834 30.333 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -22.199 4.194 31.435 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -20.662 4.809 32.087 1.00 0.00 H new ATOM 201 N ILE A 24 -20.633 -0.192 31.640 1.00 0.00 N ATOM 202 CA ILE A 24 -20.001 -1.542 31.543 1.00 0.00 C ATOM 203 C ILE A 24 -19.519 -1.797 30.111 1.00 0.00 C ATOM 204 O ILE A 24 -20.245 -1.600 29.156 1.00 0.00 O ATOM 205 CB ILE A 24 -21.020 -2.614 31.935 1.00 0.00 C ATOM 206 CG1 ILE A 24 -21.612 -2.279 33.306 1.00 0.00 C ATOM 207 CG2 ILE A 24 -20.327 -3.976 31.999 1.00 0.00 C ATOM 208 CD1 ILE A 24 -22.917 -1.502 33.125 1.00 0.00 C ATOM 0 H ILE A 24 -21.503 -0.081 31.120 1.00 0.00 H new ATOM 0 HA ILE A 24 -19.147 -1.582 32.219 1.00 0.00 H new ATOM 0 HB ILE A 24 -21.818 -2.646 31.193 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -21.797 -3.195 33.867 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -20.902 -1.688 33.885 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -21.052 -4.740 32.278 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -19.905 -4.216 31.023 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -19.530 -3.944 32.741 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -23.337 -1.264 34.102 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -22.718 -0.579 32.581 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -23.627 -2.109 32.563 1.00 0.00 H new ATOM 209 N LEU A 25 -18.300 -2.252 29.965 1.00 0.00 N ATOM 210 CA LEU A 25 -17.756 -2.548 28.604 1.00 0.00 C ATOM 211 C LEU A 25 -17.425 -4.042 28.526 1.00 0.00 C ATOM 212 O LEU A 25 -16.299 -4.431 28.280 1.00 0.00 O ATOM 213 CB LEU A 25 -16.479 -1.724 28.359 1.00 0.00 C ATOM 214 CG LEU A 25 -16.815 -0.280 27.943 1.00 0.00 C ATOM 215 CD1 LEU A 25 -17.444 -0.273 26.546 1.00 0.00 C ATOM 216 CD2 LEU A 25 -17.782 0.360 28.951 1.00 0.00 C ATOM 0 H LEU A 25 -17.655 -2.432 30.734 1.00 0.00 H new ATOM 0 HA LEU A 25 -18.494 -2.286 27.846 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.872 -1.712 29.265 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.881 -2.199 27.581 1.00 0.00 H new ATOM 0 HG LEU A 25 -15.892 0.300 27.927 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.679 0.752 26.258 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.743 -0.700 25.829 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -18.358 -0.866 26.556 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.008 1.380 28.641 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -18.704 -0.220 28.990 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -17.321 0.375 29.939 1.00 0.00 H new ATOM 217 N HIS A 26 -18.408 -4.880 28.742 1.00 0.00 N ATOM 218 CA HIS A 26 -18.182 -6.358 28.693 1.00 0.00 C ATOM 219 C HIS A 26 -17.235 -6.780 29.822 1.00 0.00 C ATOM 220 O HIS A 26 -16.033 -6.848 29.645 1.00 0.00 O ATOM 221 CB HIS A 26 -17.581 -6.762 27.339 1.00 0.00 C ATOM 222 CG HIS A 26 -18.414 -6.189 26.225 1.00 0.00 C ATOM 223 ND1 HIS A 26 -19.272 -6.973 25.466 1.00 0.00 N ATOM 224 CD2 HIS A 26 -18.535 -4.914 25.729 1.00 0.00 C ATOM 225 CE1 HIS A 26 -19.863 -6.169 24.563 1.00 0.00 C ATOM 226 NE2 HIS A 26 -19.449 -4.904 24.680 1.00 0.00 N ATOM 0 H HIS A 26 -19.366 -4.601 28.952 1.00 0.00 H new ATOM 0 HA HIS A 26 -19.141 -6.860 28.819 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -16.556 -6.400 27.263 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -17.543 -7.848 27.256 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -18.002 -4.050 26.097 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -20.584 -6.505 23.833 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -19.741 -4.103 24.120 1.00 0.00 H new ATOM 227 N HIS A 27 -17.776 -7.079 30.977 1.00 0.00 N ATOM 228 CA HIS A 27 -16.933 -7.519 32.133 1.00 0.00 C ATOM 229 C HIS A 27 -15.965 -6.405 32.557 1.00 0.00 C ATOM 230 O HIS A 27 -14.800 -6.650 32.812 1.00 0.00 O ATOM 231 CB HIS A 27 -16.136 -8.768 31.739 1.00 0.00 C ATOM 232 CG HIS A 27 -15.590 -9.427 32.978 1.00 0.00 C ATOM 233 ND1 HIS A 27 -14.234 -9.456 33.262 1.00 0.00 N ATOM 234 CD2 HIS A 27 -16.206 -10.083 34.014 1.00 0.00 C ATOM 235 CE1 HIS A 27 -14.079 -10.111 34.428 1.00 0.00 C ATOM 236 NE2 HIS A 27 -15.250 -10.514 34.929 1.00 0.00 N ATOM 0 H HIS A 27 -18.777 -7.037 31.171 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.588 -7.748 32.974 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -16.775 -9.464 31.196 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.320 -8.496 31.070 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -17.270 -10.241 34.105 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.124 -10.289 34.901 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -15.409 -11.027 35.796 1.00 0.00 H new ATOM 237 N LYS A 28 -16.442 -5.188 32.654 1.00 0.00 N ATOM 238 CA LYS A 28 -15.554 -4.061 33.079 1.00 0.00 C ATOM 239 C LYS A 28 -16.408 -2.928 33.656 1.00 0.00 C ATOM 240 O LYS A 28 -17.538 -2.729 33.252 1.00 0.00 O ATOM 241 CB LYS A 28 -14.765 -3.539 31.876 1.00 0.00 C ATOM 242 CG LYS A 28 -13.668 -4.536 31.501 1.00 0.00 C ATOM 243 CD LYS A 28 -12.720 -3.896 30.485 1.00 0.00 C ATOM 244 CE LYS A 28 -11.770 -4.959 29.931 1.00 0.00 C ATOM 245 NZ LYS A 28 -10.643 -4.292 29.220 1.00 0.00 N ATOM 0 H LYS A 28 -17.408 -4.926 32.457 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.859 -4.420 33.838 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.434 -3.386 31.030 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.323 -2.571 32.112 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.115 -4.836 32.391 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.111 -5.439 31.082 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.291 -3.445 29.673 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.151 -3.095 30.957 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.387 -5.579 30.742 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.304 -5.620 29.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.996 -5.013 28.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.017 -3.719 28.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.129 -3.678 29.884 1.00 0.00 H new ATOM 246 N VAL A 29 -15.874 -2.177 34.591 1.00 0.00 N ATOM 247 CA VAL A 29 -16.648 -1.049 35.193 1.00 0.00 C ATOM 248 C VAL A 29 -15.909 0.253 34.888 1.00 0.00 C ATOM 249 O VAL A 29 -14.697 0.303 34.934 1.00 0.00 O ATOM 250 CB VAL A 29 -16.761 -1.246 36.708 1.00 0.00 C ATOM 251 CG1 VAL A 29 -17.790 -0.266 37.272 1.00 0.00 C ATOM 252 CG2 VAL A 29 -17.210 -2.680 37.012 1.00 0.00 C ATOM 0 H VAL A 29 -14.932 -2.299 34.963 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.654 -1.015 34.774 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.789 -1.065 37.167 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.872 -0.405 38.350 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.474 0.755 37.061 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.759 -0.449 36.808 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -17.289 -2.816 38.091 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.181 -2.863 36.551 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.480 -3.383 36.611 1.00 0.00 H new ATOM 253 N TYR A 30 -16.623 1.297 34.553 1.00 0.00 N ATOM 254 CA TYR A 30 -15.941 2.582 34.213 1.00 0.00 C ATOM 255 C TYR A 30 -16.459 3.724 35.077 1.00 0.00 C ATOM 256 O TYR A 30 -17.473 4.315 34.775 1.00 0.00 O ATOM 257 CB TYR A 30 -16.223 2.932 32.754 1.00 0.00 C ATOM 258 CG TYR A 30 -15.441 2.020 31.858 1.00 0.00 C ATOM 259 CD1 TYR A 30 -15.720 0.654 31.844 1.00 0.00 C ATOM 260 CD2 TYR A 30 -14.433 2.543 31.048 1.00 0.00 C ATOM 261 CE1 TYR A 30 -14.988 -0.195 31.015 1.00 0.00 C ATOM 262 CE2 TYR A 30 -13.700 1.693 30.219 1.00 0.00 C ATOM 263 CZ TYR A 30 -13.974 0.322 30.201 1.00 0.00 C ATOM 264 OH TYR A 30 -13.249 -0.519 29.381 1.00 0.00 O ATOM 0 H TYR A 30 -17.641 1.316 34.500 1.00 0.00 H new ATOM 0 HA TYR A 30 -14.873 2.452 34.388 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -17.289 2.837 32.546 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -15.952 3.970 32.559 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -16.501 0.255 32.474 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -14.221 3.602 31.062 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -15.204 -1.253 31.001 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.919 2.095 29.590 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.306 -0.252 29.390 1.00 0.00 H new ATOM 265 N ASP A 31 -15.746 4.077 36.110 1.00 0.00 N ATOM 266 CA ASP A 31 -16.181 5.227 36.950 1.00 0.00 C ATOM 267 C ASP A 31 -15.709 6.483 36.237 1.00 0.00 C ATOM 268 O ASP A 31 -14.547 6.842 36.312 1.00 0.00 O ATOM 269 CB ASP A 31 -15.548 5.139 38.338 1.00 0.00 C ATOM 270 CG ASP A 31 -16.321 6.035 39.307 1.00 0.00 C ATOM 271 OD1 ASP A 31 -16.458 7.210 39.017 1.00 0.00 O ATOM 272 OD2 ASP A 31 -16.764 5.527 40.326 1.00 0.00 O ATOM 0 H ASP A 31 -14.884 3.621 36.408 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.263 5.230 37.083 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.560 4.108 38.691 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.504 5.448 38.294 1.00 0.00 H new ATOM 273 N LEU A 32 -16.578 7.129 35.500 1.00 0.00 N ATOM 274 CA LEU A 32 -16.136 8.334 34.731 1.00 0.00 C ATOM 275 C LEU A 32 -16.996 9.544 35.104 1.00 0.00 C ATOM 276 O LEU A 32 -17.670 10.125 34.272 1.00 0.00 O ATOM 277 CB LEU A 32 -16.221 8.080 33.204 1.00 0.00 C ATOM 278 CG LEU A 32 -16.177 6.575 32.865 1.00 0.00 C ATOM 279 CD1 LEU A 32 -17.602 6.064 32.646 1.00 0.00 C ATOM 280 CD2 LEU A 32 -15.361 6.356 31.586 1.00 0.00 C ATOM 0 H LEU A 32 -17.562 6.879 35.398 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.097 8.538 34.990 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.143 8.512 32.815 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.396 8.588 32.705 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.712 6.033 33.689 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.575 5.001 32.406 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.187 6.216 33.553 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -18.062 6.610 31.822 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.332 5.292 31.350 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.824 6.898 30.762 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.345 6.722 31.735 1.00 0.00 H new ATOM 281 N THR A 33 -16.961 9.939 36.350 1.00 0.00 N ATOM 282 CA THR A 33 -17.755 11.123 36.787 1.00 0.00 C ATOM 283 C THR A 33 -17.175 12.382 36.134 1.00 0.00 C ATOM 284 O THR A 33 -17.873 13.355 35.917 1.00 0.00 O ATOM 285 CB THR A 33 -17.679 11.257 38.311 1.00 0.00 C ATOM 286 OG1 THR A 33 -16.351 11.589 38.690 1.00 0.00 O ATOM 287 CG2 THR A 33 -18.084 9.936 38.975 1.00 0.00 C ATOM 0 H THR A 33 -16.415 9.490 37.085 1.00 0.00 H new ATOM 0 HA THR A 33 -18.796 10.998 36.488 1.00 0.00 H new ATOM 0 HB THR A 33 -18.361 12.043 38.635 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.301 11.677 39.665 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.027 10.041 40.058 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.105 9.683 38.688 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.409 9.144 38.651 1.00 0.00 H new ATOM 288 N LYS A 34 -15.900 12.368 35.819 1.00 0.00 N ATOM 289 CA LYS A 34 -15.266 13.556 35.176 1.00 0.00 C ATOM 290 C LYS A 34 -15.375 13.445 33.650 1.00 0.00 C ATOM 291 O LYS A 34 -15.298 14.434 32.949 1.00 0.00 O ATOM 292 CB LYS A 34 -13.792 13.624 35.578 1.00 0.00 C ATOM 293 CG LYS A 34 -13.641 14.499 36.825 1.00 0.00 C ATOM 294 CD LYS A 34 -13.755 13.628 38.077 1.00 0.00 C ATOM 295 CE LYS A 34 -12.864 14.202 39.179 1.00 0.00 C ATOM 296 NZ LYS A 34 -12.336 13.090 40.020 1.00 0.00 N ATOM 0 H LYS A 34 -15.273 11.580 35.982 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.779 14.459 35.506 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.412 12.622 35.776 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.200 14.034 34.760 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.677 15.008 36.810 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.410 15.272 36.835 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.791 13.591 38.414 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.457 12.605 37.850 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.039 14.763 38.739 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.432 14.900 39.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.730 13.480 40.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.129 12.573 40.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.780 12.441 39.428 1.00 0.00 H new ATOM 297 N PHE A 35 -15.552 12.252 33.134 1.00 0.00 N ATOM 298 CA PHE A 35 -15.666 12.081 31.654 1.00 0.00 C ATOM 299 C PHE A 35 -16.935 12.784 31.155 1.00 0.00 C ATOM 300 O PHE A 35 -17.019 13.175 30.006 1.00 0.00 O ATOM 301 CB PHE A 35 -15.725 10.585 31.324 1.00 0.00 C ATOM 302 CG PHE A 35 -15.830 10.378 29.830 1.00 0.00 C ATOM 303 CD1 PHE A 35 -14.717 10.602 29.011 1.00 0.00 C ATOM 304 CD2 PHE A 35 -17.040 9.957 29.266 1.00 0.00 C ATOM 305 CE1 PHE A 35 -14.814 10.407 27.628 1.00 0.00 C ATOM 306 CE2 PHE A 35 -17.138 9.761 27.883 1.00 0.00 C ATOM 307 CZ PHE A 35 -16.025 9.985 27.064 1.00 0.00 C ATOM 0 H PHE A 35 -15.622 11.390 33.675 1.00 0.00 H new ATOM 0 HA PHE A 35 -14.800 12.523 31.161 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -14.833 10.087 31.705 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -16.581 10.130 31.822 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -13.783 10.925 29.446 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -17.898 9.783 29.898 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -13.956 10.582 26.996 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -18.072 9.437 27.448 1.00 0.00 H new ATOM 0 HZ PHE A 35 -16.100 9.833 25.997 1.00 0.00 H new ATOM 308 N LEU A 36 -17.916 12.960 32.009 1.00 0.00 N ATOM 309 CA LEU A 36 -19.174 13.649 31.585 1.00 0.00 C ATOM 310 C LEU A 36 -18.829 15.057 31.089 1.00 0.00 C ATOM 311 O LEU A 36 -19.462 15.587 30.196 1.00 0.00 O ATOM 312 CB LEU A 36 -20.129 13.748 32.776 1.00 0.00 C ATOM 313 CG LEU A 36 -20.469 12.342 33.273 1.00 0.00 C ATOM 314 CD1 LEU A 36 -21.142 12.435 34.643 1.00 0.00 C ATOM 315 CD2 LEU A 36 -21.423 11.669 32.283 1.00 0.00 C ATOM 0 H LEU A 36 -17.898 12.655 32.982 1.00 0.00 H new ATOM 0 HA LEU A 36 -19.652 13.083 30.786 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -19.670 14.328 33.577 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -21.039 14.272 32.484 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.555 11.754 33.355 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -21.385 11.433 34.998 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -20.465 12.916 35.349 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -22.057 13.022 34.560 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -21.666 10.667 32.636 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -22.337 12.257 32.202 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -20.946 11.603 31.305 1.00 0.00 H new ATOM 316 N GLU A 37 -17.813 15.653 31.659 1.00 0.00 N ATOM 317 CA GLU A 37 -17.393 17.018 31.230 1.00 0.00 C ATOM 318 C GLU A 37 -15.992 16.966 30.595 1.00 0.00 C ATOM 319 O GLU A 37 -15.462 17.981 30.183 1.00 0.00 O ATOM 320 CB GLU A 37 -17.367 17.946 32.447 1.00 0.00 C ATOM 321 CG GLU A 37 -18.798 18.224 32.909 1.00 0.00 C ATOM 322 CD GLU A 37 -18.819 19.488 33.770 1.00 0.00 C ATOM 323 OE1 GLU A 37 -18.116 19.514 34.768 1.00 0.00 O ATOM 324 OE2 GLU A 37 -19.537 20.410 33.419 1.00 0.00 O ATOM 0 H GLU A 37 -17.253 15.248 32.409 1.00 0.00 H new ATOM 0 HA GLU A 37 -18.103 17.395 30.493 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -16.796 17.488 33.254 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -16.867 18.881 32.194 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -19.453 18.348 32.046 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -19.179 17.376 33.479 1.00 0.00 H new ATOM 325 N GLU A 38 -15.385 15.799 30.510 1.00 0.00 N ATOM 326 CA GLU A 38 -14.025 15.702 29.899 1.00 0.00 C ATOM 327 C GLU A 38 -14.161 15.709 28.376 1.00 0.00 C ATOM 328 O GLU A 38 -13.306 16.210 27.670 1.00 0.00 O ATOM 329 CB GLU A 38 -13.346 14.402 30.350 1.00 0.00 C ATOM 330 CG GLU A 38 -11.826 14.590 30.333 1.00 0.00 C ATOM 331 CD GLU A 38 -11.335 14.940 31.740 1.00 0.00 C ATOM 332 OE1 GLU A 38 -11.845 14.361 32.685 1.00 0.00 O ATOM 333 OE2 GLU A 38 -10.458 15.781 31.848 1.00 0.00 O ATOM 0 H GLU A 38 -15.776 14.916 30.838 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.418 16.549 30.218 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.679 14.134 31.353 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.630 13.582 29.690 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.341 13.678 29.984 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.555 15.382 29.635 1.00 0.00 H new ATOM 334 N HIS A 39 -15.235 15.160 27.869 1.00 0.00 N ATOM 335 CA HIS A 39 -15.446 15.131 26.390 1.00 0.00 C ATOM 336 C HIS A 39 -16.960 15.139 26.098 1.00 0.00 C ATOM 337 O HIS A 39 -17.498 14.159 25.617 1.00 0.00 O ATOM 338 CB HIS A 39 -14.810 13.866 25.801 1.00 0.00 C ATOM 339 CG HIS A 39 -13.374 13.766 26.243 1.00 0.00 C ATOM 340 ND1 HIS A 39 -12.995 13.054 27.368 1.00 0.00 N ATOM 341 CD2 HIS A 39 -12.214 14.284 25.719 1.00 0.00 C ATOM 342 CE1 HIS A 39 -11.661 13.161 27.487 1.00 0.00 C ATOM 343 NE2 HIS A 39 -11.133 13.899 26.508 1.00 0.00 N ATOM 0 H HIS A 39 -15.978 14.729 28.418 1.00 0.00 H new ATOM 0 HA HIS A 39 -14.981 16.005 25.935 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -15.363 12.985 26.126 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -14.864 13.893 24.713 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -13.616 12.541 27.994 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -12.150 14.896 24.831 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.085 12.705 28.279 1.00 0.00 H new ATOM 344 N PRO A 40 -17.615 16.244 26.403 1.00 0.00 N ATOM 345 CA PRO A 40 -19.086 16.407 26.188 1.00 0.00 C ATOM 346 C PRO A 40 -19.380 16.820 24.743 1.00 0.00 C ATOM 347 O PRO A 40 -19.118 17.939 24.342 1.00 0.00 O ATOM 348 CB PRO A 40 -19.464 17.522 27.155 1.00 0.00 C ATOM 349 CG PRO A 40 -18.204 18.337 27.416 1.00 0.00 C ATOM 350 CD PRO A 40 -17.003 17.485 26.997 1.00 0.00 C ATOM 0 HA PRO A 40 -19.646 15.487 26.358 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -20.248 18.150 26.731 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -19.855 17.109 28.085 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -18.227 19.269 26.851 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -18.134 18.605 28.470 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.379 18.007 26.272 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -16.368 17.246 27.850 1.00 0.00 H new ATOM 351 N GLY A 41 -19.927 15.922 23.962 1.00 0.00 N ATOM 352 CA GLY A 41 -20.248 16.252 22.542 1.00 0.00 C ATOM 353 C GLY A 41 -19.103 15.796 21.635 1.00 0.00 C ATOM 354 O GLY A 41 -17.954 16.125 21.862 1.00 0.00 O ATOM 0 H GLY A 41 -20.165 14.973 24.249 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -21.176 15.763 22.246 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -20.405 17.325 22.434 1.00 0.00 H new ATOM 355 N GLY A 42 -19.414 15.046 20.608 1.00 0.00 N ATOM 356 CA GLY A 42 -18.350 14.567 19.676 1.00 0.00 C ATOM 357 C GLY A 42 -18.368 13.036 19.576 1.00 0.00 C ATOM 358 O GLY A 42 -17.690 12.462 18.744 1.00 0.00 O ATOM 0 H GLY A 42 -20.360 14.745 20.375 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -18.501 15.003 18.688 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -17.374 14.902 20.027 1.00 0.00 H new ATOM 359 N GLU A 43 -19.130 12.370 20.410 1.00 0.00 N ATOM 360 CA GLU A 43 -19.180 10.878 20.354 1.00 0.00 C ATOM 361 C GLU A 43 -20.305 10.369 21.259 1.00 0.00 C ATOM 362 O GLU A 43 -21.091 11.136 21.781 1.00 0.00 O ATOM 363 CB GLU A 43 -17.840 10.307 20.831 1.00 0.00 C ATOM 364 CG GLU A 43 -16.967 9.965 19.620 1.00 0.00 C ATOM 365 CD GLU A 43 -16.110 8.739 19.939 1.00 0.00 C ATOM 366 OE1 GLU A 43 -15.693 8.613 21.080 1.00 0.00 O ATOM 367 OE2 GLU A 43 -15.885 7.948 19.039 1.00 0.00 O ATOM 0 H GLU A 43 -19.718 12.796 21.126 1.00 0.00 H new ATOM 0 HA GLU A 43 -19.369 10.558 19.329 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -17.330 11.031 21.467 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -18.008 9.415 21.435 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -17.594 9.767 18.751 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -16.329 10.812 19.367 1.00 0.00 H new ATOM 368 N GLU A 44 -20.382 9.075 21.445 1.00 0.00 N ATOM 369 CA GLU A 44 -21.440 8.490 22.304 1.00 0.00 C ATOM 370 C GLU A 44 -20.929 8.400 23.747 1.00 0.00 C ATOM 371 O GLU A 44 -20.936 7.346 24.357 1.00 0.00 O ATOM 372 CB GLU A 44 -21.762 7.095 21.777 1.00 0.00 C ATOM 373 CG GLU A 44 -22.855 7.190 20.711 1.00 0.00 C ATOM 374 CD GLU A 44 -23.772 5.969 20.805 1.00 0.00 C ATOM 375 OE1 GLU A 44 -23.269 4.864 20.687 1.00 0.00 O ATOM 376 OE2 GLU A 44 -24.962 6.160 20.995 1.00 0.00 O ATOM 0 H GLU A 44 -19.745 8.395 21.030 1.00 0.00 H new ATOM 0 HA GLU A 44 -22.336 9.110 22.286 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.867 6.639 21.355 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -22.091 6.453 22.594 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -23.434 8.103 20.850 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -22.406 7.245 19.719 1.00 0.00 H new ATOM 377 N VAL A 45 -20.483 9.501 24.291 1.00 0.00 N ATOM 378 CA VAL A 45 -19.961 9.504 25.694 1.00 0.00 C ATOM 379 C VAL A 45 -21.052 9.025 26.658 1.00 0.00 C ATOM 380 O VAL A 45 -22.115 8.603 26.245 1.00 0.00 O ATOM 381 CB VAL A 45 -19.530 10.925 26.073 1.00 0.00 C ATOM 382 CG1 VAL A 45 -18.278 11.306 25.284 1.00 0.00 C ATOM 383 CG2 VAL A 45 -20.657 11.909 25.746 1.00 0.00 C ATOM 0 H VAL A 45 -20.457 10.406 23.822 1.00 0.00 H new ATOM 0 HA VAL A 45 -19.106 8.832 25.761 1.00 0.00 H new ATOM 0 HB VAL A 45 -19.314 10.964 27.141 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -17.972 12.317 25.554 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.474 10.608 25.518 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -18.494 11.265 24.216 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -20.348 12.919 26.016 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -20.876 11.870 24.679 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -21.550 11.640 26.310 1.00 0.00 H new ATOM 384 N LEU A 46 -20.790 9.087 27.939 1.00 0.00 N ATOM 385 CA LEU A 46 -21.799 8.634 28.947 1.00 0.00 C ATOM 386 C LEU A 46 -23.082 9.461 28.797 1.00 0.00 C ATOM 387 O LEU A 46 -24.172 8.976 29.037 1.00 0.00 O ATOM 388 CB LEU A 46 -21.221 8.825 30.357 1.00 0.00 C ATOM 389 CG LEU A 46 -21.434 7.554 31.186 1.00 0.00 C ATOM 390 CD1 LEU A 46 -20.239 7.349 32.120 1.00 0.00 C ATOM 391 CD2 LEU A 46 -22.711 7.694 32.017 1.00 0.00 C ATOM 0 H LEU A 46 -19.916 9.434 28.333 1.00 0.00 H new ATOM 0 HA LEU A 46 -22.032 7.581 28.787 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -20.157 9.055 30.295 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -21.702 9.673 30.845 1.00 0.00 H new ATOM 0 HG LEU A 46 -21.527 6.697 30.519 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -20.389 6.445 32.710 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -19.328 7.249 31.529 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -20.147 8.206 32.787 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -22.862 6.790 32.607 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -22.619 8.551 32.684 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -23.563 7.841 31.353 1.00 0.00 H new ATOM 392 N ARG A 47 -22.956 10.703 28.405 1.00 0.00 N ATOM 393 CA ARG A 47 -24.161 11.568 28.239 1.00 0.00 C ATOM 394 C ARG A 47 -25.053 10.993 27.136 1.00 0.00 C ATOM 395 O ARG A 47 -26.224 10.737 27.346 1.00 0.00 O ATOM 396 CB ARG A 47 -23.724 12.983 27.855 1.00 0.00 C ATOM 397 CG ARG A 47 -24.701 13.999 28.451 1.00 0.00 C ATOM 398 CD ARG A 47 -24.039 15.376 28.504 1.00 0.00 C ATOM 399 NE ARG A 47 -24.517 16.110 29.710 1.00 0.00 N ATOM 400 CZ ARG A 47 -25.719 16.620 29.729 1.00 0.00 C ATOM 401 NH1 ARG A 47 -26.003 17.652 28.982 1.00 0.00 N ATOM 402 NH2 ARG A 47 -26.636 16.097 30.497 1.00 0.00 N ATOM 0 H ARG A 47 -22.067 11.156 28.192 1.00 0.00 H new ATOM 0 HA ARG A 47 -24.717 11.601 29.176 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -22.715 13.175 28.220 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -23.695 13.084 26.770 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -25.608 14.043 27.848 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.999 13.688 29.453 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -22.955 15.269 28.536 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -24.277 15.941 27.603 1.00 0.00 H new ATOM 0 HE ARG A 47 -23.906 16.214 30.520 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -25.286 18.061 28.383 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -26.942 18.050 28.997 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -26.413 15.291 31.081 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -27.575 16.494 30.513 1.00 0.00 H new ATOM 403 N GLU A 48 -24.506 10.790 25.964 1.00 0.00 N ATOM 404 CA GLU A 48 -25.315 10.231 24.841 1.00 0.00 C ATOM 405 C GLU A 48 -25.637 8.763 25.126 1.00 0.00 C ATOM 406 O GLU A 48 -24.879 7.875 24.784 1.00 0.00 O ATOM 407 CB GLU A 48 -24.520 10.335 23.538 1.00 0.00 C ATOM 408 CG GLU A 48 -25.479 10.579 22.372 1.00 0.00 C ATOM 409 CD GLU A 48 -24.801 11.471 21.329 1.00 0.00 C ATOM 410 OE1 GLU A 48 -24.125 10.932 20.468 1.00 0.00 O ATOM 411 OE2 GLU A 48 -24.969 12.675 21.410 1.00 0.00 O ATOM 0 H GLU A 48 -23.532 10.988 25.737 1.00 0.00 H new ATOM 0 HA GLU A 48 -26.243 10.795 24.746 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -23.798 11.148 23.605 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -23.954 9.419 23.371 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -25.768 9.630 21.921 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -26.392 11.052 22.732 1.00 0.00 H new ATOM 412 N GLN A 49 -26.760 8.503 25.749 1.00 0.00 N ATOM 413 CA GLN A 49 -27.141 7.095 26.061 1.00 0.00 C ATOM 414 C GLN A 49 -28.262 6.651 25.119 1.00 0.00 C ATOM 415 O GLN A 49 -29.346 7.205 25.127 1.00 0.00 O ATOM 416 CB GLN A 49 -27.627 7.007 27.510 1.00 0.00 C ATOM 417 CG GLN A 49 -27.555 5.555 27.984 1.00 0.00 C ATOM 418 CD GLN A 49 -26.205 5.305 28.659 1.00 0.00 C ATOM 419 OE1 GLN A 49 -25.220 5.934 28.327 1.00 0.00 O ATOM 420 NE2 GLN A 49 -26.117 4.404 29.600 1.00 0.00 N ATOM 0 H GLN A 49 -27.430 9.209 26.055 1.00 0.00 H new ATOM 0 HA GLN A 49 -26.276 6.446 25.928 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -27.013 7.641 28.150 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -28.650 7.375 27.585 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -28.366 5.348 28.682 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -27.682 4.879 27.139 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -26.944 3.876 29.879 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -25.222 4.229 30.056 1.00 0.00 H new ATOM 421 N ALA A 50 -28.009 5.653 24.312 1.00 0.00 N ATOM 422 CA ALA A 50 -29.054 5.164 23.365 1.00 0.00 C ATOM 423 C ALA A 50 -28.595 3.847 22.735 1.00 0.00 C ATOM 424 O ALA A 50 -29.275 2.841 22.819 1.00 0.00 O ATOM 425 CB ALA A 50 -29.274 6.204 22.265 1.00 0.00 C ATOM 0 H ALA A 50 -27.120 5.154 24.268 1.00 0.00 H new ATOM 0 HA ALA A 50 -29.987 5.004 23.906 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -30.037 5.847 21.574 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -29.601 7.143 22.712 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -28.341 6.365 21.724 1.00 0.00 H new ATOM 426 N GLY A 51 -27.447 3.848 22.107 1.00 0.00 N ATOM 427 CA GLY A 51 -26.935 2.600 21.468 1.00 0.00 C ATOM 428 C GLY A 51 -27.214 2.643 19.965 1.00 0.00 C ATOM 429 O GLY A 51 -27.133 3.684 19.340 1.00 0.00 O ATOM 0 H GLY A 51 -26.841 4.663 22.009 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -25.864 2.500 21.647 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -27.415 1.728 21.913 1.00 0.00 H new ATOM 430 N GLY A 52 -27.545 1.518 19.382 1.00 0.00 N ATOM 431 CA GLY A 52 -27.832 1.484 17.917 1.00 0.00 C ATOM 432 C GLY A 52 -26.782 0.629 17.210 1.00 0.00 C ATOM 433 O GLY A 52 -27.057 -0.007 16.208 1.00 0.00 O ATOM 0 H GLY A 52 -27.629 0.620 19.859 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -28.827 1.076 17.740 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -27.826 2.496 17.511 1.00 0.00 H new ATOM 434 N ASP A 53 -25.577 0.608 17.722 1.00 0.00 N ATOM 435 CA ASP A 53 -24.499 -0.204 17.085 1.00 0.00 C ATOM 436 C ASP A 53 -24.213 -1.438 17.945 1.00 0.00 C ATOM 437 O ASP A 53 -24.886 -1.687 18.928 1.00 0.00 O ATOM 438 CB ASP A 53 -23.229 0.639 16.966 1.00 0.00 C ATOM 439 CG ASP A 53 -22.478 0.254 15.690 1.00 0.00 C ATOM 440 OD1 ASP A 53 -23.102 0.236 14.642 1.00 0.00 O ATOM 441 OD2 ASP A 53 -21.291 -0.014 15.781 1.00 0.00 O ATOM 0 H ASP A 53 -25.294 1.121 18.557 1.00 0.00 H new ATOM 0 HA ASP A 53 -24.821 -0.519 16.092 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -23.484 1.699 16.945 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -22.592 0.482 17.837 1.00 0.00 H new ATOM 442 N ALA A 54 -23.220 -2.208 17.581 1.00 0.00 N ATOM 443 CA ALA A 54 -22.881 -3.429 18.371 1.00 0.00 C ATOM 444 C ALA A 54 -22.443 -3.019 19.778 1.00 0.00 C ATOM 445 O ALA A 54 -22.902 -3.566 20.763 1.00 0.00 O ATOM 446 CB ALA A 54 -21.743 -4.184 17.681 1.00 0.00 C ATOM 0 H ALA A 54 -22.627 -2.043 16.767 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.757 -4.075 18.437 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -21.495 -5.075 18.258 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -22.055 -4.476 16.678 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -20.866 -3.540 17.615 1.00 0.00 H new ATOM 447 N THR A 55 -21.556 -2.061 19.877 1.00 0.00 N ATOM 448 CA THR A 55 -21.081 -1.608 21.217 1.00 0.00 C ATOM 449 C THR A 55 -22.254 -1.012 22.000 1.00 0.00 C ATOM 450 O THR A 55 -23.232 -0.570 21.425 1.00 0.00 O ATOM 451 CB THR A 55 -19.994 -0.545 21.041 1.00 0.00 C ATOM 452 OG1 THR A 55 -20.407 0.395 20.057 1.00 0.00 O ATOM 453 CG2 THR A 55 -18.691 -1.212 20.598 1.00 0.00 C ATOM 0 H THR A 55 -21.140 -1.573 19.084 1.00 0.00 H new ATOM 0 HA THR A 55 -20.673 -2.458 21.764 1.00 0.00 H new ATOM 0 HB THR A 55 -19.831 -0.031 21.989 1.00 0.00 H new ATOM 0 HG1 THR A 55 -19.713 1.077 19.945 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.918 -0.454 20.473 1.00 0.00 H new ATOM 0 HG22 THR A 55 -18.375 -1.931 21.354 1.00 0.00 H new ATOM 0 HG23 THR A 55 -18.850 -1.727 19.651 1.00 0.00 H new ATOM 454 N GLU A 56 -22.161 -1.000 23.305 1.00 0.00 N ATOM 455 CA GLU A 56 -23.267 -0.435 24.134 1.00 0.00 C ATOM 456 C GLU A 56 -23.419 1.057 23.833 1.00 0.00 C ATOM 457 O GLU A 56 -24.517 1.582 23.798 1.00 0.00 O ATOM 458 CB GLU A 56 -22.941 -0.625 25.617 1.00 0.00 C ATOM 459 CG GLU A 56 -23.498 -1.968 26.093 1.00 0.00 C ATOM 460 CD GLU A 56 -22.872 -2.330 27.441 1.00 0.00 C ATOM 461 OE1 GLU A 56 -22.848 -1.473 28.309 1.00 0.00 O ATOM 462 OE2 GLU A 56 -22.431 -3.458 27.583 1.00 0.00 O ATOM 0 H GLU A 56 -21.365 -1.358 23.833 1.00 0.00 H new ATOM 0 HA GLU A 56 -24.198 -0.950 23.897 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -21.862 -0.591 25.771 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -23.372 0.188 26.202 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -24.582 -1.911 26.187 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -23.282 -2.744 25.359 1.00 0.00 H new ATOM 463 N ASN A 57 -22.324 1.742 23.619 1.00 0.00 N ATOM 464 CA ASN A 57 -22.395 3.203 23.319 1.00 0.00 C ATOM 465 C ASN A 57 -20.987 3.737 23.042 1.00 0.00 C ATOM 466 O ASN A 57 -20.790 4.560 22.169 1.00 0.00 O ATOM 467 CB ASN A 57 -22.993 3.943 24.518 1.00 0.00 C ATOM 468 CG ASN A 57 -22.202 3.592 25.781 1.00 0.00 C ATOM 469 OD1 ASN A 57 -21.176 4.183 26.052 1.00 0.00 O ATOM 470 ND2 ASN A 57 -22.641 2.649 26.570 1.00 0.00 N ATOM 0 H ASN A 57 -21.382 1.351 23.639 1.00 0.00 H new ATOM 0 HA ASN A 57 -23.024 3.362 22.443 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -22.965 5.019 24.346 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -24.040 3.668 24.644 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -22.122 2.408 27.415 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -23.503 2.153 26.342 1.00 0.00 H new ATOM 471 N PHE A 58 -20.012 3.274 23.780 1.00 0.00 N ATOM 472 CA PHE A 58 -18.613 3.749 23.568 1.00 0.00 C ATOM 473 C PHE A 58 -18.150 3.375 22.158 1.00 0.00 C ATOM 474 O PHE A 58 -18.216 2.228 21.759 1.00 0.00 O ATOM 475 CB PHE A 58 -17.689 3.091 24.597 1.00 0.00 C ATOM 476 CG PHE A 58 -17.822 3.805 25.921 1.00 0.00 C ATOM 477 CD1 PHE A 58 -17.215 5.051 26.109 1.00 0.00 C ATOM 478 CD2 PHE A 58 -18.554 3.219 26.963 1.00 0.00 C ATOM 479 CE1 PHE A 58 -17.337 5.712 27.338 1.00 0.00 C ATOM 480 CE2 PHE A 58 -18.675 3.880 28.191 1.00 0.00 C ATOM 481 CZ PHE A 58 -18.067 5.126 28.378 1.00 0.00 C ATOM 0 H PHE A 58 -20.125 2.585 24.523 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.579 4.832 23.685 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.946 2.038 24.712 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.656 3.131 24.252 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -16.652 5.504 25.306 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -19.025 2.258 26.818 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -16.868 6.674 27.483 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -19.238 3.428 28.994 1.00 0.00 H new ATOM 0 HZ PHE A 58 -18.161 5.636 29.325 1.00 0.00 H new ATOM 482 N GLU A 59 -17.685 4.338 21.405 1.00 0.00 N ATOM 483 CA GLU A 59 -17.215 4.051 20.017 1.00 0.00 C ATOM 484 C GLU A 59 -15.826 3.416 20.071 1.00 0.00 C ATOM 485 O GLU A 59 -15.316 3.104 21.131 1.00 0.00 O ATOM 486 CB GLU A 59 -17.149 5.357 19.222 1.00 0.00 C ATOM 487 CG GLU A 59 -18.460 5.558 18.460 1.00 0.00 C ATOM 488 CD GLU A 59 -18.179 6.275 17.138 1.00 0.00 C ATOM 489 OE1 GLU A 59 -18.178 7.495 17.136 1.00 0.00 O ATOM 490 OE2 GLU A 59 -17.970 5.590 16.149 1.00 0.00 O ATOM 0 H GLU A 59 -17.610 5.314 21.693 1.00 0.00 H new ATOM 0 HA GLU A 59 -17.909 3.365 19.532 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -16.975 6.196 19.895 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.312 5.329 18.525 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -18.933 4.595 18.270 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -19.156 6.142 19.062 1.00 0.00 H new ATOM 491 N ASP A 60 -15.209 3.222 18.932 1.00 0.00 N ATOM 492 CA ASP A 60 -13.850 2.606 18.904 1.00 0.00 C ATOM 493 C ASP A 60 -12.798 3.694 18.673 1.00 0.00 C ATOM 494 O ASP A 60 -11.672 3.583 19.120 1.00 0.00 O ATOM 495 CB ASP A 60 -13.778 1.579 17.772 1.00 0.00 C ATOM 496 CG ASP A 60 -12.547 0.693 17.963 1.00 0.00 C ATOM 497 OD1 ASP A 60 -11.447 1.208 17.850 1.00 0.00 O ATOM 498 OD2 ASP A 60 -12.724 -0.487 18.220 1.00 0.00 O ATOM 0 H ASP A 60 -15.591 3.465 18.018 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.657 2.112 19.856 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.681 0.968 17.763 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.727 2.087 16.809 1.00 0.00 H new ATOM 499 N VAL A 61 -13.160 4.744 17.978 1.00 0.00 N ATOM 500 CA VAL A 61 -12.187 5.843 17.713 1.00 0.00 C ATOM 501 C VAL A 61 -12.448 6.999 18.695 1.00 0.00 C ATOM 502 O VAL A 61 -13.438 7.005 19.404 1.00 0.00 O ATOM 503 CB VAL A 61 -12.339 6.307 16.247 1.00 0.00 C ATOM 504 CG1 VAL A 61 -13.637 7.099 16.056 1.00 0.00 C ATOM 505 CG2 VAL A 61 -11.148 7.185 15.856 1.00 0.00 C ATOM 0 H VAL A 61 -14.090 4.886 17.583 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.165 5.494 17.861 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.372 5.423 15.611 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -13.721 7.415 15.016 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.489 6.470 16.314 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.626 7.977 16.702 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.260 7.510 14.822 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.110 8.058 16.508 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.225 6.614 15.959 1.00 0.00 H new ATOM 506 N GLY A 62 -11.571 7.968 18.740 1.00 0.00 N ATOM 507 CA GLY A 62 -11.764 9.120 19.671 1.00 0.00 C ATOM 508 C GLY A 62 -10.551 10.048 19.592 1.00 0.00 C ATOM 509 O GLY A 62 -9.943 10.199 18.548 1.00 0.00 O ATOM 0 H GLY A 62 -10.726 8.011 18.170 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.670 9.666 19.409 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.893 8.759 20.691 1.00 0.00 H new ATOM 510 N HIS A 63 -10.196 10.671 20.688 1.00 0.00 N ATOM 511 CA HIS A 63 -9.019 11.590 20.684 1.00 0.00 C ATOM 512 C HIS A 63 -7.812 10.875 21.294 1.00 0.00 C ATOM 513 O HIS A 63 -7.793 10.567 22.471 1.00 0.00 O ATOM 514 CB HIS A 63 -9.346 12.847 21.500 1.00 0.00 C ATOM 515 CG HIS A 63 -9.766 12.460 22.894 1.00 0.00 C ATOM 516 ND1 HIS A 63 -8.867 12.406 23.947 1.00 0.00 N ATOM 517 CD2 HIS A 63 -10.984 12.111 23.423 1.00 0.00 C ATOM 518 CE1 HIS A 63 -9.550 12.037 25.045 1.00 0.00 C ATOM 519 NE2 HIS A 63 -10.844 11.843 24.783 1.00 0.00 N ATOM 0 H HIS A 63 -10.672 10.582 21.586 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.786 11.879 19.659 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -8.475 13.501 21.542 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -10.143 13.409 21.014 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.869 12.609 23.898 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -11.909 12.053 22.869 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -9.105 11.913 26.021 1.00 0.00 H new ATOM 520 N SER A 64 -6.805 10.608 20.500 1.00 0.00 N ATOM 521 CA SER A 64 -5.594 9.911 21.025 1.00 0.00 C ATOM 522 C SER A 64 -4.558 9.780 19.907 1.00 0.00 C ATOM 523 O SER A 64 -4.661 10.418 18.875 1.00 0.00 O ATOM 524 CB SER A 64 -5.982 8.520 21.527 1.00 0.00 C ATOM 525 OG SER A 64 -5.173 8.181 22.644 1.00 0.00 O ATOM 0 H SER A 64 -6.771 10.844 19.508 1.00 0.00 H new ATOM 0 HA SER A 64 -5.171 10.487 21.848 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.035 8.503 21.808 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.852 7.785 20.733 1.00 0.00 H new ATOM 0 HG SER A 64 -5.421 7.290 22.969 1.00 0.00 H new ATOM 526 N THR A 65 -3.560 8.956 20.106 1.00 0.00 N ATOM 527 CA THR A 65 -2.510 8.774 19.062 1.00 0.00 C ATOM 528 C THR A 65 -1.680 7.532 19.392 1.00 0.00 C ATOM 529 O THR A 65 -1.371 6.733 18.528 1.00 0.00 O ATOM 530 CB THR A 65 -1.600 10.006 19.027 1.00 0.00 C ATOM 531 OG1 THR A 65 -0.495 9.751 18.171 1.00 0.00 O ATOM 532 CG2 THR A 65 -1.093 10.315 20.439 1.00 0.00 C ATOM 0 H THR A 65 -3.428 8.400 20.951 1.00 0.00 H new ATOM 0 HA THR A 65 -2.982 8.649 18.088 1.00 0.00 H new ATOM 0 HB THR A 65 -2.163 10.861 18.653 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.088 10.538 18.146 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.446 11.192 20.410 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.941 10.511 21.095 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.531 9.462 20.818 1.00 0.00 H new ATOM 533 N ASP A 66 -1.321 7.365 20.640 1.00 0.00 N ATOM 534 CA ASP A 66 -0.514 6.176 21.041 1.00 0.00 C ATOM 535 C ASP A 66 -1.449 5.078 21.551 1.00 0.00 C ATOM 536 O ASP A 66 -1.311 3.922 21.202 1.00 0.00 O ATOM 537 CB ASP A 66 0.464 6.572 22.149 1.00 0.00 C ATOM 538 CG ASP A 66 1.717 7.190 21.530 1.00 0.00 C ATOM 539 OD1 ASP A 66 1.712 8.386 21.298 1.00 0.00 O ATOM 540 OD2 ASP A 66 2.663 6.453 21.297 1.00 0.00 O ATOM 0 H ASP A 66 -1.554 8.004 21.400 1.00 0.00 H new ATOM 0 HA ASP A 66 0.045 5.808 20.181 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.008 7.283 22.827 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.732 5.697 22.741 1.00 0.00 H new ATOM 541 N ALA A 67 -2.401 5.438 22.374 1.00 0.00 N ATOM 542 CA ALA A 67 -3.355 4.425 22.914 1.00 0.00 C ATOM 543 C ALA A 67 -4.560 4.314 21.977 1.00 0.00 C ATOM 544 O ALA A 67 -4.527 4.782 20.855 1.00 0.00 O ATOM 545 CB ALA A 67 -3.824 4.858 24.305 1.00 0.00 C ATOM 0 H ALA A 67 -2.558 6.393 22.696 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.860 3.457 22.985 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.521 4.119 24.700 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.964 4.938 24.970 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.321 5.825 24.236 1.00 0.00 H new ATOM 546 N ARG A 68 -5.624 3.699 22.432 1.00 0.00 N ATOM 547 CA ARG A 68 -6.836 3.555 21.572 1.00 0.00 C ATOM 548 C ARG A 68 -8.093 3.676 22.435 1.00 0.00 C ATOM 549 O ARG A 68 -8.255 2.971 23.412 1.00 0.00 O ATOM 550 CB ARG A 68 -6.817 2.186 20.889 1.00 0.00 C ATOM 551 CG ARG A 68 -5.499 2.010 20.132 1.00 0.00 C ATOM 552 CD ARG A 68 -5.468 0.630 19.474 1.00 0.00 C ATOM 553 NE ARG A 68 -4.280 0.533 18.579 1.00 0.00 N ATOM 554 CZ ARG A 68 -3.304 -0.281 18.877 1.00 0.00 C ATOM 555 NH1 ARG A 68 -2.384 0.088 19.726 1.00 0.00 N ATOM 556 NH2 ARG A 68 -3.248 -1.462 18.326 1.00 0.00 N ATOM 0 H ARG A 68 -5.704 3.291 23.363 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.839 4.339 20.815 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.930 1.396 21.631 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.658 2.100 20.201 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.396 2.788 19.375 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.657 2.117 20.816 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.426 -0.148 20.237 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.382 0.467 18.902 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.230 1.102 17.734 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.428 1.012 20.156 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.621 -0.547 19.959 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.967 -1.750 17.662 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.485 -2.098 18.559 1.00 0.00 H new ATOM 557 N GLU A 69 -8.988 4.565 22.075 1.00 0.00 N ATOM 558 CA GLU A 69 -10.249 4.748 22.861 1.00 0.00 C ATOM 559 C GLU A 69 -9.915 5.254 24.266 1.00 0.00 C ATOM 560 O GLU A 69 -8.936 4.854 24.866 1.00 0.00 O ATOM 561 CB GLU A 69 -11.003 3.412 22.960 1.00 0.00 C ATOM 562 CG GLU A 69 -12.417 3.651 23.503 1.00 0.00 C ATOM 563 CD GLU A 69 -13.209 4.513 22.517 1.00 0.00 C ATOM 564 OE1 GLU A 69 -12.991 4.368 21.326 1.00 0.00 O ATOM 565 OE2 GLU A 69 -14.019 5.304 22.972 1.00 0.00 O ATOM 0 H GLU A 69 -8.898 5.176 21.264 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.880 5.479 22.355 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.056 2.940 21.979 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.463 2.727 23.614 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.924 2.698 23.657 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.366 4.145 24.473 1.00 0.00 H new ATOM 566 N LEU A 70 -10.732 6.130 24.795 1.00 0.00 N ATOM 567 CA LEU A 70 -10.488 6.669 26.166 1.00 0.00 C ATOM 568 C LEU A 70 -11.204 5.774 27.181 1.00 0.00 C ATOM 569 O LEU A 70 -11.984 6.237 27.996 1.00 0.00 O ATOM 570 CB LEU A 70 -11.037 8.097 26.248 1.00 0.00 C ATOM 571 CG LEU A 70 -10.532 8.775 27.521 1.00 0.00 C ATOM 572 CD1 LEU A 70 -9.058 9.150 27.355 1.00 0.00 C ATOM 573 CD2 LEU A 70 -11.352 10.042 27.773 1.00 0.00 C ATOM 0 H LEU A 70 -11.563 6.497 24.332 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.420 6.684 26.384 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.724 8.667 25.373 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.127 8.078 26.243 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.637 8.092 28.364 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.701 9.633 28.264 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.472 8.250 27.168 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.949 9.834 26.514 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.997 10.531 28.680 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.241 10.721 26.928 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.403 9.778 27.891 1.00 0.00 H new ATOM 574 N SER A 71 -10.958 4.491 27.123 1.00 0.00 N ATOM 575 CA SER A 71 -11.631 3.546 28.059 1.00 0.00 C ATOM 576 C SER A 71 -10.687 3.164 29.206 1.00 0.00 C ATOM 577 O SER A 71 -11.090 3.099 30.352 1.00 0.00 O ATOM 578 CB SER A 71 -12.034 2.283 27.292 1.00 0.00 C ATOM 579 OG SER A 71 -11.122 2.066 26.224 1.00 0.00 O ATOM 0 H SER A 71 -10.315 4.056 26.462 1.00 0.00 H new ATOM 0 HA SER A 71 -12.514 4.029 28.477 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.037 1.423 27.962 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.047 2.388 26.904 1.00 0.00 H new ATOM 0 HG SER A 71 -11.379 1.257 25.734 1.00 0.00 H new ATOM 580 N LYS A 72 -9.444 2.895 28.904 1.00 0.00 N ATOM 581 CA LYS A 72 -8.474 2.493 29.970 1.00 0.00 C ATOM 582 C LYS A 72 -8.083 3.685 30.858 1.00 0.00 C ATOM 583 O LYS A 72 -7.334 3.525 31.805 1.00 0.00 O ATOM 584 CB LYS A 72 -7.215 1.923 29.313 1.00 0.00 C ATOM 585 CG LYS A 72 -7.422 0.439 29.010 1.00 0.00 C ATOM 586 CD LYS A 72 -6.605 0.049 27.776 1.00 0.00 C ATOM 587 CE LYS A 72 -6.605 -1.473 27.622 1.00 0.00 C ATOM 588 NZ LYS A 72 -5.314 -1.911 27.022 1.00 0.00 N ATOM 0 H LYS A 72 -9.056 2.936 27.962 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.953 1.743 30.600 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.995 2.465 28.393 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.357 2.054 29.973 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.117 -0.163 29.866 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.479 0.236 28.838 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.027 0.515 26.886 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.583 0.415 27.873 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.747 -1.948 28.593 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.437 -1.785 26.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.313 -2.946 26.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.197 -1.468 26.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.529 -1.625 27.641 1.00 0.00 H new ATOM 589 N THR A 73 -8.559 4.873 30.566 1.00 0.00 N ATOM 590 CA THR A 73 -8.186 6.051 31.394 1.00 0.00 C ATOM 591 C THR A 73 -9.299 6.399 32.399 1.00 0.00 C ATOM 592 O THR A 73 -9.193 7.381 33.111 1.00 0.00 O ATOM 593 CB THR A 73 -7.947 7.248 30.470 1.00 0.00 C ATOM 594 OG1 THR A 73 -8.701 7.097 29.272 1.00 0.00 O ATOM 595 CG2 THR A 73 -6.459 7.345 30.134 1.00 0.00 C ATOM 0 H THR A 73 -9.189 5.072 29.789 1.00 0.00 H new ATOM 0 HA THR A 73 -7.282 5.812 31.955 1.00 0.00 H new ATOM 0 HB THR A 73 -8.265 8.159 30.976 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.164 6.620 28.605 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.289 8.197 29.476 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.886 7.476 31.052 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.139 6.431 29.634 1.00 0.00 H new ATOM 596 N TYR A 74 -10.361 5.625 32.468 1.00 0.00 N ATOM 597 CA TYR A 74 -11.458 5.951 33.434 1.00 0.00 C ATOM 598 C TYR A 74 -12.074 4.660 33.987 1.00 0.00 C ATOM 599 O TYR A 74 -13.266 4.591 34.225 1.00 0.00 O ATOM 600 CB TYR A 74 -12.549 6.770 32.726 1.00 0.00 C ATOM 601 CG TYR A 74 -12.006 8.130 32.331 1.00 0.00 C ATOM 602 CD1 TYR A 74 -11.245 8.272 31.162 1.00 0.00 C ATOM 603 CD2 TYR A 74 -12.257 9.250 33.138 1.00 0.00 C ATOM 604 CE1 TYR A 74 -10.737 9.526 30.804 1.00 0.00 C ATOM 605 CE2 TYR A 74 -11.749 10.503 32.777 1.00 0.00 C ATOM 606 CZ TYR A 74 -10.988 10.642 31.611 1.00 0.00 C ATOM 607 OH TYR A 74 -10.484 11.879 31.260 1.00 0.00 O ATOM 0 H TYR A 74 -10.513 4.790 31.902 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.040 6.532 34.256 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -12.897 6.238 31.841 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -13.409 6.890 33.385 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.051 7.413 30.537 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.843 9.145 34.039 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.150 9.633 29.904 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.945 11.364 33.399 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.188 11.859 30.326 1.00 0.00 H new ATOM 608 N ILE A 75 -11.278 3.638 34.194 1.00 0.00 N ATOM 609 CA ILE A 75 -11.831 2.354 34.734 1.00 0.00 C ATOM 610 C ILE A 75 -11.536 2.256 36.233 1.00 0.00 C ATOM 611 O ILE A 75 -10.546 2.771 36.718 1.00 0.00 O ATOM 612 CB ILE A 75 -11.200 1.146 34.024 1.00 0.00 C ATOM 613 CG1 ILE A 75 -11.099 1.414 32.514 1.00 0.00 C ATOM 614 CG2 ILE A 75 -12.076 -0.087 34.270 1.00 0.00 C ATOM 615 CD1 ILE A 75 -10.475 0.208 31.805 1.00 0.00 C ATOM 0 H ILE A 75 -10.274 3.636 34.014 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.907 2.347 34.560 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.198 0.976 34.418 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.090 1.613 32.105 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.495 2.304 32.334 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.637 -0.951 33.770 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.139 -0.281 35.341 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.076 0.092 33.874 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.408 0.409 30.736 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.476 0.028 32.203 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.096 -0.673 31.971 1.00 0.00 H new ATOM 616 N ILE A 76 -12.393 1.593 36.965 1.00 0.00 N ATOM 617 CA ILE A 76 -12.181 1.443 38.440 1.00 0.00 C ATOM 618 C ILE A 76 -11.886 -0.021 38.773 1.00 0.00 C ATOM 619 O ILE A 76 -11.063 -0.320 39.618 1.00 0.00 O ATOM 620 CB ILE A 76 -13.428 1.885 39.228 1.00 0.00 C ATOM 621 CG1 ILE A 76 -14.720 1.574 38.449 1.00 0.00 C ATOM 622 CG2 ILE A 76 -13.347 3.386 39.497 1.00 0.00 C ATOM 623 CD1 ILE A 76 -15.865 1.302 39.425 1.00 0.00 C ATOM 0 H ILE A 76 -13.236 1.146 36.605 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.339 2.075 38.723 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.455 1.333 40.168 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -14.975 2.413 37.801 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.567 0.708 37.805 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -14.228 3.704 40.055 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.451 3.604 40.079 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.304 3.924 38.550 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -16.775 1.083 38.866 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.612 0.449 40.055 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -16.026 2.180 40.051 1.00 0.00 H new ATOM 624 N GLY A 77 -12.556 -0.930 38.116 1.00 0.00 N ATOM 625 CA GLY A 77 -12.330 -2.381 38.389 1.00 0.00 C ATOM 626 C GLY A 77 -12.995 -3.209 37.288 1.00 0.00 C ATOM 627 O GLY A 77 -13.156 -2.752 36.172 1.00 0.00 O ATOM 0 H GLY A 77 -13.253 -0.730 37.399 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.262 -2.594 38.426 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.743 -2.649 39.362 1.00 0.00 H new ATOM 628 N GLU A 78 -13.387 -4.421 37.596 1.00 0.00 N ATOM 629 CA GLU A 78 -14.049 -5.276 36.567 1.00 0.00 C ATOM 630 C GLU A 78 -15.410 -5.746 37.087 1.00 0.00 C ATOM 631 O GLU A 78 -15.849 -5.347 38.152 1.00 0.00 O ATOM 632 CB GLU A 78 -13.173 -6.495 36.262 1.00 0.00 C ATOM 633 CG GLU A 78 -12.114 -6.116 35.224 1.00 0.00 C ATOM 634 CD GLU A 78 -11.002 -7.165 35.224 1.00 0.00 C ATOM 635 OE1 GLU A 78 -10.688 -7.668 36.289 1.00 0.00 O ATOM 636 OE2 GLU A 78 -10.481 -7.448 34.157 1.00 0.00 O ATOM 0 H GLU A 78 -13.277 -4.853 38.514 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.188 -4.694 35.656 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.693 -6.849 37.174 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.788 -7.313 35.888 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.566 -6.050 34.235 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.701 -5.133 35.452 1.00 0.00 H new ATOM 637 N LEU A 79 -16.079 -6.591 36.345 1.00 0.00 N ATOM 638 CA LEU A 79 -17.413 -7.097 36.787 1.00 0.00 C ATOM 639 C LEU A 79 -17.225 -8.401 37.563 1.00 0.00 C ATOM 640 O LEU A 79 -16.473 -9.269 37.162 1.00 0.00 O ATOM 641 CB LEU A 79 -18.290 -7.367 35.554 1.00 0.00 C ATOM 642 CG LEU A 79 -19.778 -7.144 35.880 1.00 0.00 C ATOM 643 CD1 LEU A 79 -20.225 -8.075 37.010 1.00 0.00 C ATOM 644 CD2 LEU A 79 -20.002 -5.688 36.299 1.00 0.00 C ATOM 0 H LEU A 79 -15.757 -6.954 35.448 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.893 -6.354 37.424 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -17.990 -6.710 34.738 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -18.138 -8.391 35.211 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.366 -7.364 34.989 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -21.279 -7.904 37.227 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.081 -9.112 36.706 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.633 -7.874 37.903 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -21.056 -5.534 36.529 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.402 -5.467 37.182 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.708 -5.026 35.485 1.00 0.00 H new ATOM 645 N HIS A 80 -17.914 -8.550 38.666 1.00 0.00 N ATOM 646 CA HIS A 80 -17.803 -9.803 39.479 1.00 0.00 C ATOM 647 C HIS A 80 -18.052 -11.028 38.568 1.00 0.00 C ATOM 648 O HIS A 80 -18.896 -10.964 37.696 1.00 0.00 O ATOM 649 CB HIS A 80 -18.862 -9.752 40.589 1.00 0.00 C ATOM 650 CG HIS A 80 -18.491 -10.696 41.697 1.00 0.00 C ATOM 651 ND1 HIS A 80 -19.180 -11.877 41.920 1.00 0.00 N ATOM 652 CD2 HIS A 80 -17.500 -10.653 42.649 1.00 0.00 C ATOM 653 CE1 HIS A 80 -18.603 -12.494 42.964 1.00 0.00 C ATOM 654 NE2 HIS A 80 -17.577 -11.790 43.445 1.00 0.00 N ATOM 0 H HIS A 80 -18.555 -7.852 39.043 1.00 0.00 H new ATOM 0 HA HIS A 80 -16.809 -9.887 39.918 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -18.945 -8.737 40.977 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.838 -10.019 40.184 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.775 -9.860 42.761 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -18.929 -13.442 43.364 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.975 -12.035 44.232 1.00 0.00 H new ATOM 655 N PRO A 81 -17.311 -12.104 38.769 1.00 0.00 N ATOM 656 CA PRO A 81 -17.448 -13.343 37.935 1.00 0.00 C ATOM 657 C PRO A 81 -18.743 -14.096 38.267 1.00 0.00 C ATOM 658 O PRO A 81 -19.204 -14.912 37.493 1.00 0.00 O ATOM 659 CB PRO A 81 -16.217 -14.165 38.297 1.00 0.00 C ATOM 660 CG PRO A 81 -15.758 -13.696 39.665 1.00 0.00 C ATOM 661 CD PRO A 81 -16.258 -12.260 39.836 1.00 0.00 C ATOM 0 HA PRO A 81 -17.506 -13.127 36.868 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.455 -15.229 38.314 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.429 -14.026 37.557 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.159 -14.340 40.448 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.672 -13.738 39.743 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -16.673 -12.099 40.831 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.451 -11.539 39.707 1.00 0.00 H new ATOM 662 N ASP A 82 -19.336 -13.821 39.404 1.00 0.00 N ATOM 663 CA ASP A 82 -20.606 -14.512 39.776 1.00 0.00 C ATOM 664 C ASP A 82 -21.681 -14.222 38.720 1.00 0.00 C ATOM 665 O ASP A 82 -22.586 -15.010 38.516 1.00 0.00 O ATOM 666 CB ASP A 82 -21.081 -14.005 41.139 1.00 0.00 C ATOM 667 CG ASP A 82 -22.180 -14.926 41.673 1.00 0.00 C ATOM 668 OD1 ASP A 82 -23.251 -14.935 41.092 1.00 0.00 O ATOM 669 OD2 ASP A 82 -21.930 -15.606 42.655 1.00 0.00 O ATOM 0 H ASP A 82 -18.994 -13.147 40.089 1.00 0.00 H new ATOM 0 HA ASP A 82 -20.431 -15.587 39.827 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -20.246 -13.975 41.839 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -21.458 -12.986 41.048 1.00 0.00 H new ATOM 670 N ASP A 83 -21.585 -13.099 38.047 1.00 0.00 N ATOM 671 CA ASP A 83 -22.598 -12.759 37.003 1.00 0.00 C ATOM 672 C ASP A 83 -22.216 -13.431 35.683 1.00 0.00 C ATOM 673 O ASP A 83 -23.065 -13.768 34.880 1.00 0.00 O ATOM 674 CB ASP A 83 -22.642 -11.242 36.809 1.00 0.00 C ATOM 675 CG ASP A 83 -22.826 -10.555 38.162 1.00 0.00 C ATOM 676 OD1 ASP A 83 -23.766 -10.903 38.859 1.00 0.00 O ATOM 677 OD2 ASP A 83 -22.023 -9.694 38.483 1.00 0.00 O ATOM 0 H ASP A 83 -20.849 -12.405 38.177 1.00 0.00 H new ATOM 0 HA ASP A 83 -23.579 -13.113 37.320 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -21.721 -10.899 36.338 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -23.460 -10.975 36.140 1.00 0.00 H new ATOM 678 N ARG A 84 -20.940 -13.626 35.455 1.00 0.00 N ATOM 679 CA ARG A 84 -20.489 -14.275 34.189 1.00 0.00 C ATOM 680 C ARG A 84 -21.044 -15.701 34.117 1.00 0.00 C ATOM 681 O ARG A 84 -21.948 -16.060 34.849 1.00 0.00 O ATOM 682 CB ARG A 84 -18.958 -14.315 34.158 1.00 0.00 C ATOM 683 CG ARG A 84 -18.465 -14.079 32.729 1.00 0.00 C ATOM 684 CD ARG A 84 -17.193 -14.892 32.485 1.00 0.00 C ATOM 685 NE ARG A 84 -16.382 -14.239 31.420 1.00 0.00 N ATOM 686 CZ ARG A 84 -15.102 -14.479 31.335 1.00 0.00 C ATOM 687 NH1 ARG A 84 -14.656 -15.697 31.463 1.00 0.00 N ATOM 688 NH2 ARG A 84 -14.269 -13.497 31.120 1.00 0.00 N ATOM 0 H ARG A 84 -20.191 -13.362 36.095 1.00 0.00 H new ATOM 0 HA ARG A 84 -20.855 -13.704 33.335 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.551 -13.554 34.824 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.602 -15.279 34.521 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.236 -14.368 32.015 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -18.267 -13.019 32.572 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -16.613 -14.965 33.405 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -17.450 -15.909 32.189 1.00 0.00 H new ATOM 0 HE ARG A 84 -16.827 -13.604 30.757 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -15.308 -16.464 31.630 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.655 -15.883 31.396 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -14.619 -12.544 31.019 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.268 -13.683 31.053 1.00 0.00 H new ATOM 689 N SER A 85 -20.508 -16.515 33.243 1.00 0.00 N ATOM 690 CA SER A 85 -20.998 -17.920 33.116 1.00 0.00 C ATOM 691 C SER A 85 -20.756 -18.666 34.430 1.00 0.00 C ATOM 692 O SER A 85 -19.635 -18.798 34.882 1.00 0.00 O ATOM 693 CB SER A 85 -20.245 -18.621 31.986 1.00 0.00 C ATOM 694 OG SER A 85 -19.930 -17.675 30.973 1.00 0.00 O ATOM 0 H SER A 85 -19.749 -16.265 32.609 1.00 0.00 H new ATOM 0 HA SER A 85 -22.065 -17.914 32.893 1.00 0.00 H new ATOM 0 HB2 SER A 85 -19.333 -19.077 32.370 1.00 0.00 H new ATOM 0 HB3 SER A 85 -20.854 -19.425 31.572 1.00 0.00 H new ATOM 0 HG SER A 85 -20.284 -17.986 30.114 1.00 0.00 H new ATOM 695 N LYS A 86 -21.804 -19.156 35.043 1.00 0.00 N ATOM 696 CA LYS A 86 -21.650 -19.899 36.328 1.00 0.00 C ATOM 697 C LYS A 86 -23.013 -20.428 36.777 1.00 0.00 C ATOM 698 O LYS A 86 -23.236 -21.623 36.832 1.00 0.00 O ATOM 699 CB LYS A 86 -21.091 -18.957 37.398 1.00 0.00 C ATOM 700 CG LYS A 86 -20.372 -19.774 38.473 1.00 0.00 C ATOM 701 CD LYS A 86 -21.396 -20.307 39.479 1.00 0.00 C ATOM 702 CE LYS A 86 -20.726 -20.479 40.844 1.00 0.00 C ATOM 703 NZ LYS A 86 -19.975 -21.765 40.870 1.00 0.00 N ATOM 0 H LYS A 86 -22.763 -19.072 34.706 1.00 0.00 H new ATOM 0 HA LYS A 86 -20.965 -20.734 36.185 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -20.401 -18.245 36.946 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -21.899 -18.378 37.846 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.831 -20.602 38.015 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -19.634 -19.155 38.983 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -22.237 -19.618 39.559 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -21.797 -21.261 39.136 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.049 -19.646 41.036 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.477 -20.468 41.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -19.519 -21.882 41.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -20.632 -22.554 40.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.248 -21.758 40.126 1.00 0.00 H new ATOM 704 N ILE A 87 -23.925 -19.545 37.095 1.00 0.00 N ATOM 705 CA ILE A 87 -25.279 -19.985 37.540 1.00 0.00 C ATOM 706 C ILE A 87 -26.137 -20.314 36.316 1.00 0.00 C ATOM 707 O ILE A 87 -26.864 -21.288 36.300 1.00 0.00 O ATOM 708 CB ILE A 87 -25.946 -18.864 38.343 1.00 0.00 C ATOM 709 CG1 ILE A 87 -25.001 -18.398 39.460 1.00 0.00 C ATOM 710 CG2 ILE A 87 -27.248 -19.383 38.956 1.00 0.00 C ATOM 711 CD1 ILE A 87 -24.274 -17.119 39.028 1.00 0.00 C ATOM 0 H ILE A 87 -23.788 -18.535 37.065 1.00 0.00 H new ATOM 0 HA ILE A 87 -25.183 -20.872 38.167 1.00 0.00 H new ATOM 0 HB ILE A 87 -26.164 -18.025 37.683 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -25.566 -18.215 40.374 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -24.276 -19.180 39.685 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -27.724 -18.586 39.528 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -27.919 -19.710 38.162 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -27.030 -20.223 39.616 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -23.605 -16.794 39.825 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -23.695 -17.317 38.126 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -25.005 -16.336 38.825 1.00 0.00 H new ATOM 712 N ALA A 88 -26.056 -19.502 35.292 1.00 0.00 N ATOM 713 CA ALA A 88 -26.862 -19.756 34.062 1.00 0.00 C ATOM 714 C ALA A 88 -26.064 -20.637 33.099 1.00 0.00 C ATOM 715 O ALA A 88 -24.855 -20.737 33.193 1.00 0.00 O ATOM 716 CB ALA A 88 -27.187 -18.424 33.383 1.00 0.00 C ATOM 0 H ALA A 88 -25.464 -18.672 35.256 1.00 0.00 H new ATOM 0 HA ALA A 88 -27.788 -20.263 34.334 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -27.776 -18.608 32.484 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -27.757 -17.796 34.068 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -26.260 -17.918 33.112 1.00 0.00 H new ATOM 717 N LYS A 89 -26.735 -21.278 32.176 1.00 0.00 N ATOM 718 CA LYS A 89 -26.027 -22.158 31.199 1.00 0.00 C ATOM 719 C LYS A 89 -25.388 -21.300 30.090 1.00 0.00 C ATOM 720 O LYS A 89 -24.206 -21.426 29.838 1.00 0.00 O ATOM 721 CB LYS A 89 -27.023 -23.150 30.585 1.00 0.00 C ATOM 722 CG LYS A 89 -26.838 -24.532 31.219 1.00 0.00 C ATOM 723 CD LYS A 89 -28.155 -25.307 31.151 1.00 0.00 C ATOM 724 CE LYS A 89 -28.354 -25.854 29.737 1.00 0.00 C ATOM 725 NZ LYS A 89 -29.015 -24.820 28.892 1.00 0.00 N ATOM 0 H LYS A 89 -27.747 -21.229 32.057 1.00 0.00 H new ATOM 0 HA LYS A 89 -25.242 -22.711 31.715 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -28.043 -22.801 30.744 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -26.872 -23.211 29.507 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -26.054 -25.081 30.697 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -26.518 -24.428 32.256 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -28.145 -26.126 31.871 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -28.987 -24.656 31.421 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -27.393 -26.132 29.305 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -28.963 -26.757 29.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -29.766 -25.263 28.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -29.429 -24.086 29.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -28.312 -24.388 28.259 1.00 0.00 H new ATOM 726 N PRO A 90 -26.172 -20.448 29.451 1.00 0.00 N ATOM 727 CA PRO A 90 -25.676 -19.556 28.355 1.00 0.00 C ATOM 728 C PRO A 90 -24.964 -18.334 28.942 1.00 0.00 C ATOM 729 O PRO A 90 -25.487 -17.659 29.810 1.00 0.00 O ATOM 730 CB PRO A 90 -26.946 -19.144 27.624 1.00 0.00 C ATOM 731 CG PRO A 90 -28.093 -19.279 28.610 1.00 0.00 C ATOM 732 CD PRO A 90 -27.642 -20.239 29.714 1.00 0.00 C ATOM 0 HA PRO A 90 -24.954 -20.044 27.700 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -26.867 -18.119 27.263 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -27.111 -19.777 26.752 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -28.354 -18.307 29.030 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -28.984 -19.660 28.111 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -27.812 -19.815 30.704 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -28.191 -21.180 29.672 1.00 0.00 H new ATOM 733 N SER A 91 -23.777 -18.048 28.472 1.00 0.00 N ATOM 734 CA SER A 91 -23.021 -16.871 28.995 1.00 0.00 C ATOM 735 C SER A 91 -21.712 -16.719 28.219 1.00 0.00 C ATOM 736 O SER A 91 -20.846 -17.573 28.272 1.00 0.00 O ATOM 737 CB SER A 91 -22.714 -17.082 30.478 1.00 0.00 C ATOM 738 OG SER A 91 -21.828 -16.061 30.923 1.00 0.00 O ATOM 0 H SER A 91 -23.298 -18.581 27.746 1.00 0.00 H new ATOM 0 HA SER A 91 -23.621 -15.969 28.873 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.636 -17.059 31.059 1.00 0.00 H new ATOM 0 HB3 SER A 91 -22.264 -18.063 30.633 1.00 0.00 H new ATOM 0 HG SER A 91 -20.901 -16.348 30.783 1.00 0.00 H new ATOM 739 N GLU A 92 -21.562 -15.635 27.498 1.00 0.00 N ATOM 740 CA GLU A 92 -20.310 -15.412 26.709 1.00 0.00 C ATOM 741 C GLU A 92 -20.141 -16.537 25.683 1.00 0.00 C ATOM 742 O GLU A 92 -20.762 -17.578 25.783 1.00 0.00 O ATOM 743 CB GLU A 92 -19.102 -15.394 27.652 1.00 0.00 C ATOM 744 CG GLU A 92 -18.076 -14.377 27.150 1.00 0.00 C ATOM 745 CD GLU A 92 -18.303 -13.033 27.843 1.00 0.00 C ATOM 746 OE1 GLU A 92 -18.044 -12.953 29.034 1.00 0.00 O ATOM 747 OE2 GLU A 92 -18.732 -12.109 27.174 1.00 0.00 O ATOM 0 H GLU A 92 -22.256 -14.892 27.422 1.00 0.00 H new ATOM 0 HA GLU A 92 -20.378 -14.456 26.190 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.420 -15.137 28.662 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -18.652 -16.386 27.702 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -17.066 -14.735 27.351 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -18.164 -14.260 26.070 1.00 0.00 H new ATOM 748 N THR A 93 -19.305 -16.330 24.699 1.00 0.00 N ATOM 749 CA THR A 93 -19.085 -17.378 23.660 1.00 0.00 C ATOM 750 C THR A 93 -18.020 -18.364 24.145 1.00 0.00 C ATOM 751 O THR A 93 -17.207 -18.042 24.992 1.00 0.00 O ATOM 752 CB THR A 93 -18.618 -16.721 22.359 1.00 0.00 C ATOM 753 OG1 THR A 93 -17.743 -15.644 22.665 1.00 0.00 O ATOM 754 CG2 THR A 93 -19.829 -16.195 21.587 1.00 0.00 C ATOM 0 H THR A 93 -18.763 -15.476 24.570 1.00 0.00 H new ATOM 0 HA THR A 93 -20.019 -17.911 23.481 1.00 0.00 H new ATOM 0 HB THR A 93 -18.093 -17.455 21.747 1.00 0.00 H new ATOM 0 HG1 THR A 93 -17.441 -15.222 21.834 1.00 0.00 H new ATOM 0 HG21 THR A 93 -19.495 -15.727 20.661 1.00 0.00 H new ATOM 0 HG22 THR A 93 -20.500 -17.022 21.355 1.00 0.00 H new ATOM 0 HG23 THR A 93 -20.357 -15.460 22.195 1.00 0.00 H new ATOM 755 N LEU A 94 -18.020 -19.560 23.614 1.00 0.00 N ATOM 756 CA LEU A 94 -17.011 -20.574 24.041 1.00 0.00 C ATOM 757 C LEU A 94 -15.680 -20.303 23.332 1.00 0.00 C ATOM 758 O LEU A 94 -14.652 -20.651 23.890 1.00 0.00 O ATOM 759 CB LEU A 94 -17.514 -21.981 23.687 1.00 0.00 C ATOM 760 CG LEU A 94 -17.745 -22.095 22.172 1.00 0.00 C ATOM 761 CD1 LEU A 94 -16.572 -22.834 21.526 1.00 0.00 C ATOM 762 CD2 LEU A 94 -19.039 -22.871 21.907 1.00 0.00 C ATOM 763 OXT LEU A 94 -15.712 -19.753 22.243 1.00 0.00 O ATOM 0 H LEU A 94 -18.677 -19.878 22.902 1.00 0.00 H new ATOM 0 HA LEU A 94 -16.863 -20.508 25.119 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -16.787 -22.727 24.009 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -18.441 -22.189 24.221 1.00 0.00 H new ATOM 0 HG LEU A 94 -17.824 -21.095 21.745 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -16.739 -22.913 20.452 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -15.649 -22.284 21.710 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -16.491 -23.833 21.955 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -19.202 -22.951 20.832 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -18.959 -23.869 22.337 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -19.878 -22.346 22.363 1.00 0.00 H new TER 764 LEU A 94