USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 563 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 47 THR OG1 : rot -160:sc= 0 USER MOD Set 1.2: A 72 GLN : amide:sc= 0.0108 X(o=0.011,f=0.084) USER MOD Set 2.1: A 16 SER OG : rot 34:sc= 0.0368 USER MOD Set 2.2: A 30 SER OG : rot 130:sc= -2.04! USER MOD Set 2.3: A 37 GLN :FLIP amide:sc= -0.158 F(o=-3.2,f=-2.2) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0173 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -51:sc= 0.444 USER MOD Single : A 5 SER OG : rot 43:sc= 0.562 USER MOD Single : A 6 SER OG : rot 24:sc= 0.462 USER MOD Single : A 8 LYS NZ :NH3+ 155:sc= -0.0935 (180deg=-0.486) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HE2:sc= -2.78! C(o=-2.8!,f=-3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00389) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.387) USER MOD Single : A 46 GLN : amide:sc= -0.0357 X(o=-0.036,f=-0.036) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 139:sc= -2.09 (180deg=-5.19!) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.964 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -0.404 X(o=-0.4,f=-0.38) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.490 -5.666 -45.472 1.00 0.00 N ATOM 2 CA GLY A 1 -27.086 -6.014 -45.591 1.00 0.00 C ATOM 3 C GLY A 1 -26.468 -6.388 -44.258 1.00 0.00 C ATOM 4 O GLY A 1 -27.124 -6.991 -43.409 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.012 -6.045 -46.288 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.875 -6.072 -44.596 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.590 -4.631 -45.447 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.979 -6.848 -46.285 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.541 -5.172 -46.018 1.00 0.00 H new ATOM 8 N SER A 2 -25.200 -6.032 -44.075 1.00 0.00 N ATOM 9 CA SER A 2 -24.491 -6.339 -42.839 1.00 0.00 C ATOM 10 C SER A 2 -23.674 -5.139 -42.369 1.00 0.00 C ATOM 11 O SER A 2 -23.131 -4.388 -43.180 1.00 0.00 O ATOM 12 CB SER A 2 -23.574 -7.548 -43.038 1.00 0.00 C ATOM 13 OG SER A 2 -22.408 -7.190 -43.760 1.00 0.00 O ATOM 0 H SER A 2 -24.643 -5.531 -44.767 1.00 0.00 H new ATOM 0 HA SER A 2 -25.231 -6.575 -42.074 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.293 -7.959 -42.068 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.111 -8.331 -43.573 1.00 0.00 H new ATOM 0 HG SER A 2 -21.838 -7.979 -43.873 1.00 0.00 H new ATOM 19 N SER A 3 -23.591 -4.965 -41.054 1.00 0.00 N ATOM 20 CA SER A 3 -22.844 -3.855 -40.475 1.00 0.00 C ATOM 21 C SER A 3 -21.694 -4.365 -39.613 1.00 0.00 C ATOM 22 O SER A 3 -21.441 -3.849 -38.525 1.00 0.00 O ATOM 23 CB SER A 3 -23.771 -2.971 -39.638 1.00 0.00 C ATOM 24 OG SER A 3 -23.108 -1.791 -39.218 1.00 0.00 O ATOM 0 H SER A 3 -24.032 -5.579 -40.369 1.00 0.00 H new ATOM 0 HA SER A 3 -22.428 -3.264 -41.291 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.653 -2.708 -40.222 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.119 -3.526 -38.767 1.00 0.00 H new ATOM 0 HG SER A 3 -22.253 -2.027 -38.802 1.00 0.00 H new ATOM 30 N GLY A 4 -20.999 -5.385 -40.108 1.00 0.00 N ATOM 31 CA GLY A 4 -19.883 -5.950 -39.371 1.00 0.00 C ATOM 32 C GLY A 4 -20.164 -6.055 -37.885 1.00 0.00 C ATOM 33 O GLY A 4 -19.282 -5.812 -37.061 1.00 0.00 O ATOM 0 H GLY A 4 -21.189 -5.830 -41.006 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.655 -6.940 -39.765 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.998 -5.333 -39.528 1.00 0.00 H new ATOM 37 N SER A 5 -21.396 -6.416 -37.541 1.00 0.00 N ATOM 38 CA SER A 5 -21.792 -6.547 -36.144 1.00 0.00 C ATOM 39 C SER A 5 -21.117 -7.754 -35.499 1.00 0.00 C ATOM 40 O SER A 5 -21.533 -8.894 -35.705 1.00 0.00 O ATOM 41 CB SER A 5 -23.312 -6.678 -36.033 1.00 0.00 C ATOM 42 OG SER A 5 -23.791 -7.751 -36.824 1.00 0.00 O ATOM 0 H SER A 5 -22.137 -6.623 -38.211 1.00 0.00 H new ATOM 0 HA SER A 5 -21.473 -5.649 -35.615 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.591 -6.837 -34.991 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.784 -5.749 -36.351 1.00 0.00 H new ATOM 0 HG SER A 5 -23.202 -8.527 -36.714 1.00 0.00 H new ATOM 48 N SER A 6 -20.074 -7.494 -34.717 1.00 0.00 N ATOM 49 CA SER A 6 -19.339 -8.558 -34.044 1.00 0.00 C ATOM 50 C SER A 6 -18.662 -8.036 -32.780 1.00 0.00 C ATOM 51 O SER A 6 -17.792 -7.169 -32.842 1.00 0.00 O ATOM 52 CB SER A 6 -18.293 -9.158 -34.986 1.00 0.00 C ATOM 53 OG SER A 6 -18.870 -10.139 -35.830 1.00 0.00 O ATOM 0 H SER A 6 -19.719 -6.555 -34.534 1.00 0.00 H new ATOM 0 HA SER A 6 -20.050 -9.334 -33.760 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.849 -8.368 -35.592 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.487 -9.604 -34.403 1.00 0.00 H new ATOM 0 HG SER A 6 -19.831 -9.970 -35.918 1.00 0.00 H new ATOM 59 N GLY A 7 -19.070 -8.572 -31.634 1.00 0.00 N ATOM 60 CA GLY A 7 -18.494 -8.149 -30.371 1.00 0.00 C ATOM 61 C GLY A 7 -18.383 -9.286 -29.374 1.00 0.00 C ATOM 62 O GLY A 7 -18.651 -10.441 -29.706 1.00 0.00 O ATOM 0 H GLY A 7 -19.789 -9.291 -31.558 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.504 -7.728 -30.549 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.106 -7.354 -29.944 1.00 0.00 H new ATOM 66 N LYS A 8 -17.985 -8.960 -28.149 1.00 0.00 N ATOM 67 CA LYS A 8 -17.839 -9.961 -27.100 1.00 0.00 C ATOM 68 C LYS A 8 -17.646 -9.300 -25.739 1.00 0.00 C ATOM 69 O LYS A 8 -16.619 -8.678 -25.464 1.00 0.00 O ATOM 70 CB LYS A 8 -16.653 -10.880 -27.405 1.00 0.00 C ATOM 71 CG LYS A 8 -15.390 -10.132 -27.796 1.00 0.00 C ATOM 72 CD LYS A 8 -14.214 -11.078 -27.970 1.00 0.00 C ATOM 73 CE LYS A 8 -12.896 -10.396 -27.636 1.00 0.00 C ATOM 74 NZ LYS A 8 -12.795 -10.063 -26.188 1.00 0.00 N ATOM 0 H LYS A 8 -17.758 -8.009 -27.858 1.00 0.00 H new ATOM 0 HA LYS A 8 -18.753 -10.554 -27.069 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.445 -11.494 -26.529 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -16.928 -11.559 -28.212 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.561 -9.588 -28.725 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.153 -9.392 -27.032 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.348 -11.948 -27.328 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.187 -11.441 -28.997 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.069 -11.047 -27.917 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.799 -9.485 -28.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.793 -10.005 -25.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.256 -9.148 -26.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.265 -10.803 -25.628 1.00 0.00 H new ATOM 88 N PRO A 9 -18.654 -9.436 -24.865 1.00 0.00 N ATOM 89 CA PRO A 9 -18.618 -8.860 -23.518 1.00 0.00 C ATOM 90 C PRO A 9 -17.610 -9.562 -22.614 1.00 0.00 C ATOM 91 O PRO A 9 -16.900 -10.470 -23.049 1.00 0.00 O ATOM 92 CB PRO A 9 -20.042 -9.077 -23.001 1.00 0.00 C ATOM 93 CG PRO A 9 -20.549 -10.249 -23.768 1.00 0.00 C ATOM 94 CD PRO A 9 -19.908 -10.164 -25.125 1.00 0.00 C ATOM 0 HA PRO A 9 -18.309 -7.815 -23.530 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -20.048 -9.273 -21.929 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -20.662 -8.196 -23.168 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -20.288 -11.183 -23.271 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -21.636 -10.223 -23.847 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -19.719 -11.153 -25.543 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -20.541 -9.633 -25.836 1.00 0.00 H new ATOM 102 N ILE A 10 -17.554 -9.137 -21.357 1.00 0.00 N ATOM 103 CA ILE A 10 -16.634 -9.727 -20.392 1.00 0.00 C ATOM 104 C ILE A 10 -17.323 -9.974 -19.054 1.00 0.00 C ATOM 105 O ILE A 10 -18.267 -9.272 -18.691 1.00 0.00 O ATOM 106 CB ILE A 10 -15.403 -8.829 -20.165 1.00 0.00 C ATOM 107 CG1 ILE A 10 -14.376 -9.546 -19.288 1.00 0.00 C ATOM 108 CG2 ILE A 10 -15.820 -7.510 -19.531 1.00 0.00 C ATOM 109 CD1 ILE A 10 -12.987 -8.953 -19.376 1.00 0.00 C ATOM 0 H ILE A 10 -18.134 -8.387 -20.982 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.307 -10.679 -20.810 1.00 0.00 H new ATOM 0 HB ILE A 10 -14.943 -8.617 -21.130 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.711 -9.515 -18.251 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.333 -10.596 -19.577 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.940 -6.886 -19.377 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -16.519 -6.995 -20.190 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.300 -7.703 -18.572 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -12.311 -9.511 -18.728 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.632 -9.009 -20.405 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.016 -7.911 -19.058 1.00 0.00 H new ATOM 121 N LYS A 11 -16.843 -10.975 -18.324 1.00 0.00 N ATOM 122 CA LYS A 11 -17.410 -11.313 -17.024 1.00 0.00 C ATOM 123 C LYS A 11 -16.555 -10.749 -15.894 1.00 0.00 C ATOM 124 O LYS A 11 -15.701 -11.444 -15.343 1.00 0.00 O ATOM 125 CB LYS A 11 -17.531 -12.832 -16.877 1.00 0.00 C ATOM 126 CG LYS A 11 -18.670 -13.267 -15.970 1.00 0.00 C ATOM 127 CD LYS A 11 -20.019 -13.087 -16.645 1.00 0.00 C ATOM 128 CE LYS A 11 -21.163 -13.252 -15.656 1.00 0.00 C ATOM 129 NZ LYS A 11 -21.318 -14.666 -15.217 1.00 0.00 N ATOM 0 H LYS A 11 -16.063 -11.566 -18.611 1.00 0.00 H new ATOM 0 HA LYS A 11 -18.403 -10.867 -16.962 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -17.674 -13.274 -17.863 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.594 -13.226 -16.484 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.537 -14.313 -15.693 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.643 -12.687 -15.047 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -20.070 -12.098 -17.101 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.124 -13.815 -17.450 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -20.985 -12.619 -14.786 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -22.091 -12.910 -16.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -22.108 -14.736 -14.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -21.513 -15.267 -16.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.442 -14.985 -14.757 1.00 0.00 H new ATOM 143 N ILE A 12 -16.792 -9.487 -15.552 1.00 0.00 N ATOM 144 CA ILE A 12 -16.044 -8.832 -14.486 1.00 0.00 C ATOM 145 C ILE A 12 -16.886 -8.709 -13.220 1.00 0.00 C ATOM 146 O ILE A 12 -17.924 -8.048 -13.214 1.00 0.00 O ATOM 147 CB ILE A 12 -15.570 -7.429 -14.911 1.00 0.00 C ATOM 148 CG1 ILE A 12 -14.604 -7.530 -16.093 1.00 0.00 C ATOM 149 CG2 ILE A 12 -14.909 -6.717 -13.740 1.00 0.00 C ATOM 150 CD1 ILE A 12 -13.332 -8.283 -15.772 1.00 0.00 C ATOM 0 H ILE A 12 -17.496 -8.898 -15.997 1.00 0.00 H new ATOM 0 HA ILE A 12 -15.173 -9.455 -14.282 1.00 0.00 H new ATOM 0 HB ILE A 12 -16.437 -6.847 -15.223 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -15.109 -8.024 -16.923 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -14.347 -6.525 -16.428 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -14.579 -5.727 -14.055 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -15.624 -6.618 -12.924 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -14.049 -7.295 -13.401 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.695 -8.315 -16.656 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -12.804 -7.778 -14.963 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -13.578 -9.300 -15.465 1.00 0.00 H new ATOM 162 N ARG A 13 -16.429 -9.350 -12.149 1.00 0.00 N ATOM 163 CA ARG A 13 -17.140 -9.312 -10.876 1.00 0.00 C ATOM 164 C ARG A 13 -16.379 -8.473 -9.853 1.00 0.00 C ATOM 165 O ARG A 13 -16.979 -7.747 -9.061 1.00 0.00 O ATOM 166 CB ARG A 13 -17.342 -10.730 -10.338 1.00 0.00 C ATOM 167 CG ARG A 13 -16.044 -11.495 -10.135 1.00 0.00 C ATOM 168 CD ARG A 13 -16.265 -12.758 -9.318 1.00 0.00 C ATOM 169 NE ARG A 13 -17.124 -13.715 -10.010 1.00 0.00 N ATOM 170 CZ ARG A 13 -16.684 -14.565 -10.931 1.00 0.00 C ATOM 171 NH1 ARG A 13 -15.402 -14.578 -11.268 1.00 0.00 N ATOM 172 NH2 ARG A 13 -17.527 -15.406 -11.517 1.00 0.00 N ATOM 0 H ARG A 13 -15.571 -9.901 -12.137 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.114 -8.852 -11.046 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -17.875 -10.677 -9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -17.977 -11.285 -11.029 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.619 -11.757 -11.104 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -15.319 -10.856 -9.631 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.303 -13.224 -9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -16.713 -12.496 -8.360 1.00 0.00 H new ATOM 0 HE ARG A 13 -18.116 -13.732 -9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.750 -13.934 -10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.067 -15.232 -11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -18.514 -15.400 -11.260 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -17.188 -16.058 -12.224 1.00 0.00 H new ATOM 186 N GLY A 14 -15.054 -8.578 -9.877 1.00 0.00 N ATOM 187 CA GLY A 14 -14.233 -7.824 -8.947 1.00 0.00 C ATOM 188 C GLY A 14 -13.871 -8.625 -7.712 1.00 0.00 C ATOM 189 O GLY A 14 -14.300 -8.319 -6.600 1.00 0.00 O ATOM 0 H GLY A 14 -14.534 -9.172 -10.524 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.320 -7.505 -9.450 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.765 -6.921 -8.648 1.00 0.00 H new ATOM 193 N PRO A 15 -13.063 -9.679 -7.902 1.00 0.00 N ATOM 194 CA PRO A 15 -12.627 -10.549 -6.806 1.00 0.00 C ATOM 195 C PRO A 15 -11.654 -9.849 -5.863 1.00 0.00 C ATOM 196 O PRO A 15 -11.029 -8.853 -6.227 1.00 0.00 O ATOM 197 CB PRO A 15 -11.933 -11.707 -7.528 1.00 0.00 C ATOM 198 CG PRO A 15 -11.483 -11.130 -8.825 1.00 0.00 C ATOM 199 CD PRO A 15 -12.514 -10.102 -9.201 1.00 0.00 C ATOM 0 HA PRO A 15 -13.460 -10.860 -6.175 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -11.090 -12.086 -6.950 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.615 -12.543 -7.682 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.497 -10.676 -8.729 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.405 -11.903 -9.590 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -12.070 -9.266 -9.741 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.286 -10.524 -9.845 1.00 0.00 H new ATOM 207 N SER A 16 -11.529 -10.377 -4.650 1.00 0.00 N ATOM 208 CA SER A 16 -10.634 -9.801 -3.653 1.00 0.00 C ATOM 209 C SER A 16 -9.251 -10.441 -3.730 1.00 0.00 C ATOM 210 O SER A 16 -9.121 -11.665 -3.757 1.00 0.00 O ATOM 211 CB SER A 16 -11.215 -9.983 -2.250 1.00 0.00 C ATOM 212 OG SER A 16 -11.568 -11.335 -2.015 1.00 0.00 O ATOM 0 H SER A 16 -12.036 -11.203 -4.334 1.00 0.00 H new ATOM 0 HA SER A 16 -10.534 -8.736 -3.862 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.486 -9.660 -1.507 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.094 -9.349 -2.132 1.00 0.00 H new ATOM 0 HG SER A 16 -10.943 -11.923 -2.488 1.00 0.00 H new ATOM 218 N HIS A 17 -8.220 -9.603 -3.767 1.00 0.00 N ATOM 219 CA HIS A 17 -6.845 -10.085 -3.840 1.00 0.00 C ATOM 220 C HIS A 17 -6.005 -9.505 -2.707 1.00 0.00 C ATOM 221 O HIS A 17 -6.223 -8.373 -2.274 1.00 0.00 O ATOM 222 CB HIS A 17 -6.226 -9.719 -5.189 1.00 0.00 C ATOM 223 CG HIS A 17 -7.126 -9.989 -6.355 1.00 0.00 C ATOM 224 ND1 HIS A 17 -7.905 -9.016 -6.945 1.00 0.00 N ATOM 225 CD2 HIS A 17 -7.368 -11.130 -7.042 1.00 0.00 C ATOM 226 CE1 HIS A 17 -8.589 -9.547 -7.943 1.00 0.00 C ATOM 227 NE2 HIS A 17 -8.280 -10.829 -8.023 1.00 0.00 N ATOM 0 H HIS A 17 -8.310 -8.587 -3.748 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.860 -11.170 -3.738 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.961 -8.662 -5.183 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.300 -10.279 -5.318 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -7.947 -8.039 -6.656 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.926 -12.097 -6.853 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -9.282 -9.023 -8.584 1.00 0.00 H new ATOM 236 N CYS A 18 -5.044 -10.289 -2.229 1.00 0.00 N ATOM 237 CA CYS A 18 -4.171 -9.855 -1.145 1.00 0.00 C ATOM 238 C CYS A 18 -3.439 -8.568 -1.518 1.00 0.00 C ATOM 239 O CYS A 18 -2.855 -8.465 -2.596 1.00 0.00 O ATOM 240 CB CYS A 18 -3.158 -10.951 -0.808 1.00 0.00 C ATOM 241 SG CYS A 18 -2.033 -10.528 0.561 1.00 0.00 S ATOM 0 H CYS A 18 -4.850 -11.229 -2.576 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.790 -9.660 -0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.697 -11.863 -0.552 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.566 -11.169 -1.697 1.00 0.00 H new ATOM 246 N ALA A 19 -3.477 -7.591 -0.618 1.00 0.00 N ATOM 247 CA ALA A 19 -2.816 -6.313 -0.850 1.00 0.00 C ATOM 248 C ALA A 19 -1.326 -6.400 -0.537 1.00 0.00 C ATOM 249 O ALA A 19 -0.655 -5.381 -0.376 1.00 0.00 O ATOM 250 CB ALA A 19 -3.470 -5.221 -0.017 1.00 0.00 C ATOM 0 H ALA A 19 -3.959 -7.660 0.278 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.924 -6.063 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.966 -4.272 -0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.521 -5.133 -0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.393 -5.474 1.040 1.00 0.00 H new ATOM 256 N GLY A 20 -0.815 -7.624 -0.450 1.00 0.00 N ATOM 257 CA GLY A 20 0.593 -7.821 -0.155 1.00 0.00 C ATOM 258 C GLY A 20 1.296 -8.650 -1.211 1.00 0.00 C ATOM 259 O GLY A 20 2.425 -8.347 -1.599 1.00 0.00 O ATOM 0 H GLY A 20 -1.350 -8.483 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.083 -6.851 -0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.693 -8.311 0.813 1.00 0.00 H new ATOM 263 N CYS A 21 0.630 -9.701 -1.677 1.00 0.00 N ATOM 264 CA CYS A 21 1.198 -10.579 -2.693 1.00 0.00 C ATOM 265 C CYS A 21 0.332 -10.589 -3.949 1.00 0.00 C ATOM 266 O CYS A 21 0.646 -11.266 -4.928 1.00 0.00 O ATOM 267 CB CYS A 21 1.340 -12.001 -2.147 1.00 0.00 C ATOM 268 SG CYS A 21 -0.231 -12.755 -1.617 1.00 0.00 S ATOM 0 H CYS A 21 -0.305 -9.966 -1.367 1.00 0.00 H new ATOM 0 HA CYS A 21 2.185 -10.198 -2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.792 -12.630 -2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.027 -11.987 -1.301 1.00 0.00 H new ATOM 273 N LYS A 22 -0.760 -9.833 -3.914 1.00 0.00 N ATOM 274 CA LYS A 22 -1.672 -9.752 -5.049 1.00 0.00 C ATOM 275 C LYS A 22 -2.183 -11.136 -5.436 1.00 0.00 C ATOM 276 O LYS A 22 -2.149 -11.515 -6.606 1.00 0.00 O ATOM 277 CB LYS A 22 -0.974 -9.101 -6.245 1.00 0.00 C ATOM 278 CG LYS A 22 -0.958 -7.584 -6.188 1.00 0.00 C ATOM 279 CD LYS A 22 0.173 -7.071 -5.312 1.00 0.00 C ATOM 280 CE LYS A 22 1.455 -6.884 -6.110 1.00 0.00 C ATOM 281 NZ LYS A 22 2.580 -6.421 -5.251 1.00 0.00 N ATOM 0 H LYS A 22 -1.035 -9.267 -3.111 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.524 -9.139 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.052 -9.465 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.472 -9.417 -7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.850 -7.182 -7.195 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.911 -7.223 -5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.117 -6.123 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.350 -7.772 -4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.726 -7.826 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.285 -6.160 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.435 -6.305 -5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.332 -5.510 -4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.760 -7.124 -4.506 1.00 0.00 H new ATOM 295 N GLU A 23 -2.657 -11.886 -4.446 1.00 0.00 N ATOM 296 CA GLU A 23 -3.175 -13.228 -4.684 1.00 0.00 C ATOM 297 C GLU A 23 -4.596 -13.366 -4.147 1.00 0.00 C ATOM 298 O GLU A 23 -4.881 -12.981 -3.013 1.00 0.00 O ATOM 299 CB GLU A 23 -2.267 -14.273 -4.032 1.00 0.00 C ATOM 300 CG GLU A 23 -0.946 -14.469 -4.757 1.00 0.00 C ATOM 301 CD GLU A 23 -1.114 -14.564 -6.261 1.00 0.00 C ATOM 302 OE1 GLU A 23 -1.792 -15.505 -6.723 1.00 0.00 O ATOM 303 OE2 GLU A 23 -0.568 -13.698 -6.975 1.00 0.00 O ATOM 0 H GLU A 23 -2.693 -11.587 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.194 -13.396 -5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.066 -13.976 -3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.795 -15.226 -3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.280 -13.639 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.466 -15.377 -4.391 1.00 0.00 H new ATOM 310 N GLU A 24 -5.483 -13.918 -4.969 1.00 0.00 N ATOM 311 CA GLU A 24 -6.874 -14.105 -4.577 1.00 0.00 C ATOM 312 C GLU A 24 -6.968 -14.752 -3.197 1.00 0.00 C ATOM 313 O GLU A 24 -6.356 -15.789 -2.944 1.00 0.00 O ATOM 314 CB GLU A 24 -7.606 -14.968 -5.607 1.00 0.00 C ATOM 315 CG GLU A 24 -9.114 -14.996 -5.416 1.00 0.00 C ATOM 316 CD GLU A 24 -9.793 -16.030 -6.293 1.00 0.00 C ATOM 317 OE1 GLU A 24 -9.194 -16.427 -7.315 1.00 0.00 O ATOM 318 OE2 GLU A 24 -10.923 -16.443 -5.958 1.00 0.00 O ATOM 0 H GLU A 24 -5.263 -14.243 -5.910 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.347 -13.124 -4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.382 -14.595 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.222 -15.987 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.340 -15.206 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.523 -14.011 -5.639 1.00 0.00 H new ATOM 325 N ILE A 25 -7.738 -14.130 -2.311 1.00 0.00 N ATOM 326 CA ILE A 25 -7.913 -14.644 -0.958 1.00 0.00 C ATOM 327 C ILE A 25 -9.180 -15.485 -0.849 1.00 0.00 C ATOM 328 O ILE A 25 -9.272 -16.386 -0.014 1.00 0.00 O ATOM 329 CB ILE A 25 -7.976 -13.503 0.074 1.00 0.00 C ATOM 330 CG1 ILE A 25 -6.846 -12.501 -0.170 1.00 0.00 C ATOM 331 CG2 ILE A 25 -7.899 -14.062 1.487 1.00 0.00 C ATOM 332 CD1 ILE A 25 -7.096 -11.145 0.451 1.00 0.00 C ATOM 0 H ILE A 25 -8.251 -13.270 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.046 -15.269 -0.743 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.927 -12.983 -0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.917 -12.909 0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.705 -12.379 -1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.945 -13.243 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.735 -14.740 1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.962 -14.604 1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.254 -10.486 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.007 -10.716 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.207 -11.254 1.530 1.00 0.00 H new ATOM 344 N LYS A 26 -10.157 -15.185 -1.698 1.00 0.00 N ATOM 345 CA LYS A 26 -11.420 -15.914 -1.701 1.00 0.00 C ATOM 346 C LYS A 26 -11.200 -17.385 -1.361 1.00 0.00 C ATOM 347 O LYS A 26 -10.182 -17.972 -1.730 1.00 0.00 O ATOM 348 CB LYS A 26 -12.101 -15.792 -3.066 1.00 0.00 C ATOM 349 CG LYS A 26 -13.532 -16.300 -3.080 1.00 0.00 C ATOM 350 CD LYS A 26 -13.980 -16.665 -4.485 1.00 0.00 C ATOM 351 CE LYS A 26 -14.605 -15.475 -5.198 1.00 0.00 C ATOM 352 NZ LYS A 26 -15.165 -15.855 -6.524 1.00 0.00 N ATOM 0 H LYS A 26 -10.098 -14.441 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.065 -15.475 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.093 -14.747 -3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.520 -16.347 -3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.616 -17.173 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.194 -15.536 -2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.126 -17.026 -5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.700 -17.482 -4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.396 -15.054 -4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.854 -14.696 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.582 -15.017 -6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.406 -16.233 -7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.899 -16.580 -6.396 1.00 0.00 H new ATOM 366 N HIS A 27 -12.161 -17.975 -0.657 1.00 0.00 N ATOM 367 CA HIS A 27 -12.072 -19.379 -0.269 1.00 0.00 C ATOM 368 C HIS A 27 -10.897 -19.608 0.676 1.00 0.00 C ATOM 369 O HIS A 27 -10.189 -20.609 0.571 1.00 0.00 O ATOM 370 CB HIS A 27 -11.926 -20.264 -1.508 1.00 0.00 C ATOM 371 CG HIS A 27 -13.234 -20.737 -2.063 1.00 0.00 C ATOM 372 ND1 HIS A 27 -13.755 -21.986 -1.800 1.00 0.00 N ATOM 373 CD2 HIS A 27 -14.128 -20.120 -2.871 1.00 0.00 C ATOM 374 CE1 HIS A 27 -14.913 -22.118 -2.423 1.00 0.00 C ATOM 375 NE2 HIS A 27 -15.162 -21.000 -3.080 1.00 0.00 N ATOM 0 H HIS A 27 -13.010 -17.504 -0.344 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.991 -19.646 0.252 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -11.392 -19.709 -2.280 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.313 -21.130 -1.256 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.044 -19.122 -3.276 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.548 -22.992 -2.399 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -15.988 -20.819 -3.650 1.00 0.00 H new ATOM 384 N GLY A 28 -10.694 -18.673 1.599 1.00 0.00 N ATOM 385 CA GLY A 28 -9.603 -18.792 2.549 1.00 0.00 C ATOM 386 C GLY A 28 -9.791 -17.904 3.762 1.00 0.00 C ATOM 387 O GLY A 28 -10.743 -18.076 4.523 1.00 0.00 O ATOM 0 H GLY A 28 -11.266 -17.835 1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.518 -19.830 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.666 -18.534 2.056 1.00 0.00 H new ATOM 391 N GLN A 29 -8.881 -16.952 3.944 1.00 0.00 N ATOM 392 CA GLN A 29 -8.951 -16.035 5.076 1.00 0.00 C ATOM 393 C GLN A 29 -8.350 -14.681 4.717 1.00 0.00 C ATOM 394 O GLN A 29 -7.327 -14.606 4.036 1.00 0.00 O ATOM 395 CB GLN A 29 -8.222 -16.627 6.284 1.00 0.00 C ATOM 396 CG GLN A 29 -8.924 -17.832 6.888 1.00 0.00 C ATOM 397 CD GLN A 29 -8.152 -18.438 8.044 1.00 0.00 C ATOM 398 OE1 GLN A 29 -8.069 -17.853 9.124 1.00 0.00 O ATOM 399 NE2 GLN A 29 -7.582 -19.617 7.822 1.00 0.00 N ATOM 0 H GLN A 29 -8.087 -16.796 3.323 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.001 -15.889 5.330 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.215 -16.916 5.984 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.118 -15.857 7.048 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.914 -17.535 7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.068 -18.588 6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.677 -20.066 6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.050 -20.074 8.563 1.00 0.00 H new ATOM 408 N SER A 30 -8.991 -13.613 5.179 1.00 0.00 N ATOM 409 CA SER A 30 -8.522 -12.260 4.903 1.00 0.00 C ATOM 410 C SER A 30 -8.264 -11.499 6.200 1.00 0.00 C ATOM 411 O SER A 30 -8.671 -11.932 7.279 1.00 0.00 O ATOM 412 CB SER A 30 -9.545 -11.506 4.051 1.00 0.00 C ATOM 413 OG SER A 30 -9.241 -11.618 2.672 1.00 0.00 O ATOM 0 H SER A 30 -9.837 -13.658 5.747 1.00 0.00 H new ATOM 0 HA SER A 30 -7.584 -12.333 4.352 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.543 -11.902 4.240 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.559 -10.455 4.339 1.00 0.00 H new ATOM 0 HG SER A 30 -10.042 -11.898 2.182 1.00 0.00 H new ATOM 419 N LEU A 31 -7.585 -10.363 6.087 1.00 0.00 N ATOM 420 CA LEU A 31 -7.272 -9.540 7.250 1.00 0.00 C ATOM 421 C LEU A 31 -7.646 -8.082 7.002 1.00 0.00 C ATOM 422 O LEU A 31 -7.003 -7.391 6.209 1.00 0.00 O ATOM 423 CB LEU A 31 -5.784 -9.646 7.589 1.00 0.00 C ATOM 424 CG LEU A 31 -5.395 -9.284 9.023 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.135 -10.027 9.438 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.199 -7.781 9.159 1.00 0.00 C ATOM 0 H LEU A 31 -7.241 -9.991 5.202 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.857 -9.908 8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.459 -10.668 7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.230 -8.999 6.909 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.205 -9.586 9.686 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.874 -9.757 10.461 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.310 -11.101 9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.317 -9.756 8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.923 -7.542 10.186 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.407 -7.455 8.485 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.127 -7.269 8.904 1.00 0.00 H new ATOM 438 N LEU A 32 -8.686 -7.618 7.685 1.00 0.00 N ATOM 439 CA LEU A 32 -9.144 -6.241 7.541 1.00 0.00 C ATOM 440 C LEU A 32 -8.108 -5.263 8.085 1.00 0.00 C ATOM 441 O LEU A 32 -7.821 -5.250 9.282 1.00 0.00 O ATOM 442 CB LEU A 32 -10.477 -6.047 8.267 1.00 0.00 C ATOM 443 CG LEU A 32 -11.733 -6.399 7.470 1.00 0.00 C ATOM 444 CD1 LEU A 32 -11.884 -5.471 6.275 1.00 0.00 C ATOM 445 CD2 LEU A 32 -11.688 -7.851 7.018 1.00 0.00 C ATOM 0 H LEU A 32 -9.229 -8.176 8.345 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.284 -6.040 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.465 -6.652 9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.549 -5.005 8.579 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.600 -6.268 8.118 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.783 -5.737 5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.963 -4.441 6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.014 -5.570 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.590 -8.084 6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.813 -8.009 6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.629 -8.502 7.890 1.00 0.00 H new ATOM 457 N ALA A 33 -7.553 -4.443 7.198 1.00 0.00 N ATOM 458 CA ALA A 33 -6.552 -3.458 7.591 1.00 0.00 C ATOM 459 C ALA A 33 -6.352 -2.414 6.498 1.00 0.00 C ATOM 460 O ALA A 33 -6.030 -2.748 5.356 1.00 0.00 O ATOM 461 CB ALA A 33 -5.234 -4.146 7.914 1.00 0.00 C ATOM 0 H ALA A 33 -7.779 -4.441 6.203 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.911 -2.947 8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.496 -3.399 8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.382 -4.849 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.879 -4.683 7.034 1.00 0.00 H new ATOM 467 N LEU A 34 -6.545 -1.149 6.853 1.00 0.00 N ATOM 468 CA LEU A 34 -6.386 -0.054 5.902 1.00 0.00 C ATOM 469 C LEU A 34 -7.383 -0.181 4.754 1.00 0.00 C ATOM 470 O LEU A 34 -7.027 -0.015 3.588 1.00 0.00 O ATOM 471 CB LEU A 34 -4.959 -0.033 5.352 1.00 0.00 C ATOM 472 CG LEU A 34 -3.861 0.336 6.350 1.00 0.00 C ATOM 473 CD1 LEU A 34 -3.680 -0.770 7.378 1.00 0.00 C ATOM 474 CD2 LEU A 34 -2.551 0.611 5.624 1.00 0.00 C ATOM 0 H LEU A 34 -6.812 -0.856 7.793 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.581 0.881 6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.734 -1.018 4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.921 0.673 4.523 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.162 1.244 6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.894 -0.490 8.080 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.614 -0.920 7.920 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.402 -1.695 6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.781 0.872 6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.245 -0.280 5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.688 1.438 4.927 1.00 0.00 H new ATOM 486 N ASP A 35 -8.634 -0.474 5.094 1.00 0.00 N ATOM 487 CA ASP A 35 -9.684 -0.620 4.093 1.00 0.00 C ATOM 488 C ASP A 35 -9.244 -1.562 2.977 1.00 0.00 C ATOM 489 O ASP A 35 -9.703 -1.452 1.839 1.00 0.00 O ATOM 490 CB ASP A 35 -10.055 0.745 3.509 1.00 0.00 C ATOM 491 CG ASP A 35 -10.816 1.609 4.495 1.00 0.00 C ATOM 492 OD1 ASP A 35 -10.300 1.831 5.611 1.00 0.00 O ATOM 493 OD2 ASP A 35 -11.926 2.064 4.151 1.00 0.00 O ATOM 0 H ASP A 35 -8.945 -0.615 6.055 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.560 -1.048 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.147 1.264 3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.660 0.602 2.614 1.00 0.00 H new ATOM 498 N LYS A 36 -8.350 -2.487 3.309 1.00 0.00 N ATOM 499 CA LYS A 36 -7.847 -3.450 2.336 1.00 0.00 C ATOM 500 C LYS A 36 -7.931 -4.871 2.883 1.00 0.00 C ATOM 501 O LYS A 36 -8.341 -5.083 4.024 1.00 0.00 O ATOM 502 CB LYS A 36 -6.400 -3.120 1.963 1.00 0.00 C ATOM 503 CG LYS A 36 -6.275 -2.210 0.754 1.00 0.00 C ATOM 504 CD LYS A 36 -5.022 -1.354 0.827 1.00 0.00 C ATOM 505 CE LYS A 36 -4.994 -0.311 -0.280 1.00 0.00 C ATOM 506 NZ LYS A 36 -5.906 0.830 0.011 1.00 0.00 N ATOM 0 H LYS A 36 -7.958 -2.590 4.245 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.470 -3.386 1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.913 -2.646 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.864 -4.048 1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.253 -2.812 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.153 -1.567 0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.975 -0.858 1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.140 -1.990 0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.977 0.060 -0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.282 -0.775 -1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.846 1.527 -0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.883 0.482 0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.626 1.278 0.907 1.00 0.00 H new ATOM 520 N GLN A 37 -7.540 -5.840 2.062 1.00 0.00 N ATOM 521 CA GLN A 37 -7.571 -7.241 2.465 1.00 0.00 C ATOM 522 C GLN A 37 -6.200 -7.888 2.292 1.00 0.00 C ATOM 523 O GLN A 37 -5.691 -7.997 1.176 1.00 0.00 O ATOM 524 CB GLN A 37 -8.615 -8.005 1.649 1.00 0.00 C ATOM 525 CG GLN A 37 -10.046 -7.590 1.952 1.00 0.00 C ATOM 526 CD GLN A 37 -11.039 -8.145 0.949 1.00 0.00 C ATOM 527 OE1 GLN A 37 -11.098 -9.467 0.843 1.00 0.00 O flip ATOM 528 NE2 GLN A 37 -11.745 -7.393 0.277 1.00 0.00 N flip ATOM 0 H GLN A 37 -7.198 -5.681 1.114 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.842 -7.284 3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.418 -7.852 0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.506 -9.072 1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.315 -7.931 2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.111 -6.502 1.958 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.667 -6.382 0.391 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.408 -7.780 -0.394 1.00 0.00 H new ATOM 537 N TRP A 38 -5.609 -8.314 3.402 1.00 0.00 N ATOM 538 CA TRP A 38 -4.297 -8.950 3.372 1.00 0.00 C ATOM 539 C TRP A 38 -4.348 -10.335 4.007 1.00 0.00 C ATOM 540 O TRP A 38 -5.195 -10.608 4.859 1.00 0.00 O ATOM 541 CB TRP A 38 -3.269 -8.081 4.099 1.00 0.00 C ATOM 542 CG TRP A 38 -3.477 -6.612 3.885 1.00 0.00 C ATOM 543 CD1 TRP A 38 -4.589 -5.886 4.204 1.00 0.00 C ATOM 544 CD2 TRP A 38 -2.548 -5.691 3.302 1.00 0.00 C ATOM 545 NE1 TRP A 38 -4.407 -4.569 3.855 1.00 0.00 N ATOM 546 CE2 TRP A 38 -3.162 -4.424 3.301 1.00 0.00 C ATOM 547 CE3 TRP A 38 -1.256 -5.814 2.784 1.00 0.00 C ATOM 548 CZ2 TRP A 38 -2.529 -3.290 2.800 1.00 0.00 C ATOM 549 CZ3 TRP A 38 -0.628 -4.687 2.286 1.00 0.00 C ATOM 550 CH2 TRP A 38 -1.264 -3.439 2.298 1.00 0.00 C ATOM 0 H TRP A 38 -6.017 -8.231 4.333 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.999 -9.059 2.329 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.313 -8.295 5.167 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -2.269 -8.353 3.760 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.480 -6.288 4.663 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.088 -3.821 3.987 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.757 -6.772 2.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.018 -2.327 2.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.370 -4.771 1.881 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.746 -2.577 1.903 1.00 0.00 H new ATOM 561 N HIS A 39 -3.438 -11.208 3.588 1.00 0.00 N ATOM 562 CA HIS A 39 -3.380 -12.566 4.117 1.00 0.00 C ATOM 563 C HIS A 39 -2.957 -12.561 5.583 1.00 0.00 C ATOM 564 O HIS A 39 -2.458 -11.557 6.092 1.00 0.00 O ATOM 565 CB HIS A 39 -2.408 -13.415 3.297 1.00 0.00 C ATOM 566 CG HIS A 39 -2.939 -13.800 1.950 1.00 0.00 C ATOM 567 ND1 HIS A 39 -2.126 -14.049 0.864 1.00 0.00 N ATOM 568 CD2 HIS A 39 -4.209 -13.979 1.517 1.00 0.00 C ATOM 569 CE1 HIS A 39 -2.874 -14.363 -0.179 1.00 0.00 C ATOM 570 NE2 HIS A 39 -4.141 -14.329 0.190 1.00 0.00 N ATOM 0 H HIS A 39 -2.730 -10.999 2.884 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.378 -12.999 4.046 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.477 -12.863 3.167 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.168 -14.319 3.856 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.108 -13.868 2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.510 -14.606 -1.166 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -4.940 -14.530 -0.412 1.00 0.00 H new ATOM 578 N VAL A 40 -3.160 -13.688 6.257 1.00 0.00 N ATOM 579 CA VAL A 40 -2.799 -13.813 7.664 1.00 0.00 C ATOM 580 C VAL A 40 -1.287 -13.902 7.838 1.00 0.00 C ATOM 581 O VAL A 40 -0.775 -13.829 8.955 1.00 0.00 O ATOM 582 CB VAL A 40 -3.451 -15.054 8.303 1.00 0.00 C ATOM 583 CG1 VAL A 40 -3.143 -15.113 9.791 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.953 -15.050 8.060 1.00 0.00 C ATOM 0 H VAL A 40 -3.573 -14.528 5.851 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.168 -12.918 8.165 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.032 -15.945 7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.612 -15.996 10.225 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.064 -15.166 9.937 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.532 -14.219 10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.398 -15.933 8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.390 -14.154 8.500 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.148 -15.060 6.988 1.00 0.00 H new ATOM 594 N SER A 41 -0.577 -14.058 6.725 1.00 0.00 N ATOM 595 CA SER A 41 0.878 -14.160 6.754 1.00 0.00 C ATOM 596 C SER A 41 1.512 -13.142 5.811 1.00 0.00 C ATOM 597 O SER A 41 2.655 -13.303 5.383 1.00 0.00 O ATOM 598 CB SER A 41 1.319 -15.573 6.368 1.00 0.00 C ATOM 599 OG SER A 41 0.736 -15.972 5.140 1.00 0.00 O ATOM 0 H SER A 41 -0.985 -14.117 5.792 1.00 0.00 H new ATOM 0 HA SER A 41 1.213 -13.947 7.769 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.405 -15.609 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.035 -16.273 7.153 1.00 0.00 H new ATOM 0 HG SER A 41 1.035 -16.878 4.915 1.00 0.00 H new ATOM 605 N CYS A 42 0.762 -12.093 5.492 1.00 0.00 N ATOM 606 CA CYS A 42 1.248 -11.047 4.600 1.00 0.00 C ATOM 607 C CYS A 42 1.163 -9.678 5.270 1.00 0.00 C ATOM 608 O CYS A 42 1.969 -8.789 4.993 1.00 0.00 O ATOM 609 CB CYS A 42 0.442 -11.041 3.300 1.00 0.00 C ATOM 610 SG CYS A 42 0.860 -12.400 2.161 1.00 0.00 S ATOM 0 H CYS A 42 -0.186 -11.944 5.838 1.00 0.00 H new ATOM 0 HA CYS A 42 2.293 -11.256 4.371 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.619 -11.098 3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.602 -10.091 2.790 1.00 0.00 H new ATOM 615 N PHE A 43 0.183 -9.517 6.152 1.00 0.00 N ATOM 616 CA PHE A 43 -0.008 -8.257 6.861 1.00 0.00 C ATOM 617 C PHE A 43 1.075 -8.058 7.918 1.00 0.00 C ATOM 618 O PHE A 43 0.974 -8.573 9.032 1.00 0.00 O ATOM 619 CB PHE A 43 -1.389 -8.221 7.518 1.00 0.00 C ATOM 620 CG PHE A 43 -1.765 -6.867 8.050 1.00 0.00 C ATOM 621 CD1 PHE A 43 -1.871 -5.779 7.199 1.00 0.00 C ATOM 622 CD2 PHE A 43 -2.012 -6.683 9.401 1.00 0.00 C ATOM 623 CE1 PHE A 43 -2.218 -4.532 7.685 1.00 0.00 C ATOM 624 CE2 PHE A 43 -2.358 -5.439 9.892 1.00 0.00 C ATOM 625 CZ PHE A 43 -2.460 -4.362 9.034 1.00 0.00 C ATOM 0 H PHE A 43 -0.492 -10.243 6.393 1.00 0.00 H new ATOM 0 HA PHE A 43 0.063 -7.447 6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.137 -8.537 6.791 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.413 -8.943 8.334 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.680 -5.906 6.144 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.933 -7.521 10.077 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.300 -3.692 7.011 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.549 -5.309 10.947 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.729 -3.389 9.417 1.00 0.00 H new ATOM 635 N LYS A 44 2.112 -7.308 7.560 1.00 0.00 N ATOM 636 CA LYS A 44 3.214 -7.039 8.475 1.00 0.00 C ATOM 637 C LYS A 44 3.763 -5.631 8.267 1.00 0.00 C ATOM 638 O LYS A 44 3.409 -4.952 7.303 1.00 0.00 O ATOM 639 CB LYS A 44 4.330 -8.067 8.278 1.00 0.00 C ATOM 640 CG LYS A 44 4.610 -8.389 6.821 1.00 0.00 C ATOM 641 CD LYS A 44 5.758 -9.374 6.678 1.00 0.00 C ATOM 642 CE LYS A 44 5.790 -9.996 5.290 1.00 0.00 C ATOM 643 NZ LYS A 44 4.885 -11.174 5.188 1.00 0.00 N ATOM 0 H LYS A 44 2.212 -6.876 6.642 1.00 0.00 H new ATOM 0 HA LYS A 44 2.834 -7.115 9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.243 -7.693 8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.062 -8.986 8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.714 -8.804 6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.848 -7.471 6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.702 -8.865 6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.660 -10.159 7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.499 -9.250 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.809 -10.300 5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.697 -11.381 4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.337 -11.998 5.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.989 -10.966 5.673 1.00 0.00 H new ATOM 657 N CYS A 45 4.631 -5.199 9.175 1.00 0.00 N ATOM 658 CA CYS A 45 5.231 -3.873 9.091 1.00 0.00 C ATOM 659 C CYS A 45 5.850 -3.642 7.715 1.00 0.00 C ATOM 660 O CYS A 45 6.004 -4.576 6.930 1.00 0.00 O ATOM 661 CB CYS A 45 6.295 -3.701 10.177 1.00 0.00 C ATOM 662 SG CYS A 45 6.813 -1.975 10.444 1.00 0.00 S ATOM 0 H CYS A 45 4.935 -5.749 9.979 1.00 0.00 H new ATOM 0 HA CYS A 45 4.443 -3.135 9.244 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.910 -4.103 11.114 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.170 -4.295 9.911 1.00 0.00 H new ATOM 667 N GLN A 46 6.202 -2.392 7.433 1.00 0.00 N ATOM 668 CA GLN A 46 6.803 -2.039 6.153 1.00 0.00 C ATOM 669 C GLN A 46 8.288 -1.732 6.315 1.00 0.00 C ATOM 670 O GLN A 46 9.043 -1.728 5.342 1.00 0.00 O ATOM 671 CB GLN A 46 6.085 -0.833 5.543 1.00 0.00 C ATOM 672 CG GLN A 46 6.691 -0.365 4.230 1.00 0.00 C ATOM 673 CD GLN A 46 6.716 -1.454 3.177 1.00 0.00 C ATOM 674 OE1 GLN A 46 7.778 -1.831 2.681 1.00 0.00 O ATOM 675 NE2 GLN A 46 5.542 -1.968 2.828 1.00 0.00 N ATOM 0 H GLN A 46 6.081 -1.607 8.073 1.00 0.00 H new ATOM 0 HA GLN A 46 6.698 -2.893 5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.038 -1.088 5.380 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.105 -0.009 6.257 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.122 0.485 3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.707 -0.014 4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.686 -1.626 3.264 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.497 -2.704 2.124 1.00 0.00 H new ATOM 684 N THR A 47 8.702 -1.473 7.552 1.00 0.00 N ATOM 685 CA THR A 47 10.097 -1.164 7.842 1.00 0.00 C ATOM 686 C THR A 47 10.841 -2.396 8.342 1.00 0.00 C ATOM 687 O THR A 47 11.978 -2.652 7.944 1.00 0.00 O ATOM 688 CB THR A 47 10.217 -0.044 8.893 1.00 0.00 C ATOM 689 OG1 THR A 47 9.578 1.146 8.416 1.00 0.00 O ATOM 690 CG2 THR A 47 11.676 0.249 9.208 1.00 0.00 C ATOM 0 H THR A 47 8.091 -1.471 8.369 1.00 0.00 H new ATOM 0 HA THR A 47 10.546 -0.826 6.908 1.00 0.00 H new ATOM 0 HB THR A 47 9.725 -0.379 9.806 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.916 1.920 8.913 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.735 1.043 9.952 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.152 -0.651 9.598 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.188 0.565 8.299 1.00 0.00 H new ATOM 698 N CYS A 48 10.194 -3.158 9.218 1.00 0.00 N ATOM 699 CA CYS A 48 10.794 -4.365 9.773 1.00 0.00 C ATOM 700 C CYS A 48 10.173 -5.615 9.156 1.00 0.00 C ATOM 701 O CYS A 48 10.766 -6.693 9.183 1.00 0.00 O ATOM 702 CB CYS A 48 10.620 -4.393 11.293 1.00 0.00 C ATOM 703 SG CYS A 48 8.891 -4.559 11.841 1.00 0.00 S ATOM 0 H CYS A 48 9.253 -2.960 9.559 1.00 0.00 H new ATOM 0 HA CYS A 48 11.858 -4.354 9.535 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.200 -5.222 11.699 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.036 -3.477 11.712 1.00 0.00 H new ATOM 708 N SER A 49 8.976 -5.461 8.599 1.00 0.00 N ATOM 709 CA SER A 49 8.272 -6.577 7.978 1.00 0.00 C ATOM 710 C SER A 49 7.921 -7.641 9.013 1.00 0.00 C ATOM 711 O SER A 49 8.194 -8.826 8.820 1.00 0.00 O ATOM 712 CB SER A 49 9.127 -7.192 6.868 1.00 0.00 C ATOM 713 OG SER A 49 8.868 -6.569 5.622 1.00 0.00 O ATOM 0 H SER A 49 8.473 -4.574 8.565 1.00 0.00 H new ATOM 0 HA SER A 49 7.347 -6.196 7.546 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.183 -7.088 7.118 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.920 -8.260 6.794 1.00 0.00 H new ATOM 0 HG SER A 49 9.427 -6.978 4.929 1.00 0.00 H new ATOM 719 N VAL A 50 7.314 -7.210 10.114 1.00 0.00 N ATOM 720 CA VAL A 50 6.923 -8.124 11.180 1.00 0.00 C ATOM 721 C VAL A 50 5.416 -8.357 11.181 1.00 0.00 C ATOM 722 O VAL A 50 4.633 -7.419 11.030 1.00 0.00 O ATOM 723 CB VAL A 50 7.350 -7.591 12.561 1.00 0.00 C ATOM 724 CG1 VAL A 50 6.521 -6.374 12.943 1.00 0.00 C ATOM 725 CG2 VAL A 50 7.226 -8.682 13.614 1.00 0.00 C ATOM 0 H VAL A 50 7.082 -6.233 10.291 1.00 0.00 H new ATOM 0 HA VAL A 50 7.433 -9.068 10.989 1.00 0.00 H new ATOM 0 HB VAL A 50 8.395 -7.287 12.507 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.837 -6.011 13.921 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.665 -5.588 12.201 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.467 -6.649 12.981 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.532 -8.288 14.583 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.191 -9.019 13.669 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.867 -9.522 13.345 1.00 0.00 H new ATOM 735 N ILE A 51 5.017 -9.613 11.352 1.00 0.00 N ATOM 736 CA ILE A 51 3.604 -9.968 11.373 1.00 0.00 C ATOM 737 C ILE A 51 2.859 -9.195 12.456 1.00 0.00 C ATOM 738 O ILE A 51 3.207 -9.264 13.635 1.00 0.00 O ATOM 739 CB ILE A 51 3.407 -11.477 11.609 1.00 0.00 C ATOM 740 CG1 ILE A 51 4.076 -12.282 10.492 1.00 0.00 C ATOM 741 CG2 ILE A 51 1.925 -11.811 11.694 1.00 0.00 C ATOM 742 CD1 ILE A 51 3.448 -12.067 9.133 1.00 0.00 C ATOM 0 H ILE A 51 5.652 -10.401 11.478 1.00 0.00 H new ATOM 0 HA ILE A 51 3.198 -9.704 10.397 1.00 0.00 H new ATOM 0 HB ILE A 51 3.875 -11.745 12.556 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.131 -12.012 10.443 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.029 -13.342 10.741 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.802 -12.881 11.861 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.475 -11.261 12.520 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.435 -11.531 10.762 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.973 -12.668 8.391 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.400 -12.364 9.166 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.518 -11.014 8.862 1.00 0.00 H new ATOM 754 N LEU A 52 1.831 -8.459 12.047 1.00 0.00 N ATOM 755 CA LEU A 52 1.034 -7.672 12.983 1.00 0.00 C ATOM 756 C LEU A 52 -0.340 -8.302 13.191 1.00 0.00 C ATOM 757 O LEU A 52 -1.191 -8.268 12.302 1.00 0.00 O ATOM 758 CB LEU A 52 0.879 -6.239 12.471 1.00 0.00 C ATOM 759 CG LEU A 52 2.177 -5.486 12.180 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.933 -4.370 11.176 1.00 0.00 C ATOM 761 CD2 LEU A 52 2.772 -4.930 13.465 1.00 0.00 C ATOM 0 H LEU A 52 1.530 -8.391 11.075 1.00 0.00 H new ATOM 0 HA LEU A 52 1.554 -7.655 13.941 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.284 -6.263 11.558 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.310 -5.671 13.207 1.00 0.00 H new ATOM 0 HG LEU A 52 2.891 -6.186 11.747 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.868 -3.845 10.981 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.554 -4.794 10.246 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.202 -3.670 11.580 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.695 -4.397 13.238 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.062 -4.244 13.928 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.985 -5.749 14.151 1.00 0.00 H new ATOM 773 N THR A 53 -0.550 -8.874 14.372 1.00 0.00 N ATOM 774 CA THR A 53 -1.821 -9.510 14.697 1.00 0.00 C ATOM 775 C THR A 53 -2.458 -8.869 15.924 1.00 0.00 C ATOM 776 O THR A 53 -3.677 -8.724 15.998 1.00 0.00 O ATOM 777 CB THR A 53 -1.644 -11.019 14.954 1.00 0.00 C ATOM 778 OG1 THR A 53 -0.632 -11.232 15.944 1.00 0.00 O ATOM 779 CG2 THR A 53 -1.267 -11.745 13.672 1.00 0.00 C ATOM 0 H THR A 53 0.143 -8.910 15.119 1.00 0.00 H new ATOM 0 HA THR A 53 -2.475 -9.369 13.836 1.00 0.00 H new ATOM 0 HB THR A 53 -2.593 -11.418 15.313 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.527 -12.193 16.103 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.147 -12.809 13.878 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.053 -11.605 12.930 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.330 -11.342 13.288 1.00 0.00 H new ATOM 787 N GLY A 54 -1.625 -8.485 16.887 1.00 0.00 N ATOM 788 CA GLY A 54 -2.126 -7.863 18.098 1.00 0.00 C ATOM 789 C GLY A 54 -2.412 -6.385 17.915 1.00 0.00 C ATOM 790 O GLY A 54 -3.535 -6.000 17.593 1.00 0.00 O ATOM 0 H GLY A 54 -0.612 -8.594 16.849 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.038 -8.370 18.413 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.397 -7.993 18.898 1.00 0.00 H new ATOM 794 N GLU A 55 -1.393 -5.557 18.122 1.00 0.00 N ATOM 795 CA GLU A 55 -1.543 -4.113 17.980 1.00 0.00 C ATOM 796 C GLU A 55 -0.591 -3.570 16.918 1.00 0.00 C ATOM 797 O GLU A 55 0.550 -4.017 16.804 1.00 0.00 O ATOM 798 CB GLU A 55 -1.282 -3.417 19.318 1.00 0.00 C ATOM 799 CG GLU A 55 0.118 -3.646 19.861 1.00 0.00 C ATOM 800 CD GLU A 55 0.265 -4.989 20.549 1.00 0.00 C ATOM 801 OE1 GLU A 55 -0.769 -5.569 20.944 1.00 0.00 O ATOM 802 OE2 GLU A 55 1.412 -5.461 20.693 1.00 0.00 O ATOM 0 H GLU A 55 -0.456 -5.860 18.388 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.566 -3.908 17.666 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.445 -2.346 19.199 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.009 -3.771 20.050 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.836 -3.580 19.043 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.364 -2.852 20.566 1.00 0.00 H new ATOM 809 N TYR A 56 -1.070 -2.603 16.143 1.00 0.00 N ATOM 810 CA TYR A 56 -0.265 -2.000 15.088 1.00 0.00 C ATOM 811 C TYR A 56 -0.727 -0.576 14.796 1.00 0.00 C ATOM 812 O TYR A 56 -1.780 -0.144 15.267 1.00 0.00 O ATOM 813 CB TYR A 56 -0.340 -2.844 13.814 1.00 0.00 C ATOM 814 CG TYR A 56 -1.663 -2.730 13.090 1.00 0.00 C ATOM 815 CD1 TYR A 56 -1.929 -1.652 12.254 1.00 0.00 C ATOM 816 CD2 TYR A 56 -2.645 -3.700 13.241 1.00 0.00 C ATOM 817 CE1 TYR A 56 -3.136 -1.544 11.591 1.00 0.00 C ATOM 818 CE2 TYR A 56 -3.855 -3.601 12.581 1.00 0.00 C ATOM 819 CZ TYR A 56 -4.095 -2.521 11.757 1.00 0.00 C ATOM 820 OH TYR A 56 -5.298 -2.417 11.097 1.00 0.00 O ATOM 0 H TYR A 56 -2.012 -2.220 16.226 1.00 0.00 H new ATOM 0 HA TYR A 56 0.769 -1.964 15.431 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.461 -2.541 13.140 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.164 -3.889 14.069 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.179 -0.886 12.121 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.460 -4.547 13.886 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.328 -0.699 10.946 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.608 -4.364 12.709 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.862 -3.187 11.321 1.00 0.00 H new ATOM 830 N ILE A 57 0.066 0.149 14.015 1.00 0.00 N ATOM 831 CA ILE A 57 -0.262 1.524 13.658 1.00 0.00 C ATOM 832 C ILE A 57 -0.178 1.735 12.150 1.00 0.00 C ATOM 833 O ILE A 57 0.776 1.302 11.504 1.00 0.00 O ATOM 834 CB ILE A 57 0.675 2.526 14.358 1.00 0.00 C ATOM 835 CG1 ILE A 57 0.920 2.102 15.807 1.00 0.00 C ATOM 836 CG2 ILE A 57 0.087 3.928 14.302 1.00 0.00 C ATOM 837 CD1 ILE A 57 2.213 2.635 16.383 1.00 0.00 C ATOM 0 H ILE A 57 0.941 -0.193 13.617 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.285 1.701 13.991 1.00 0.00 H new ATOM 0 HB ILE A 57 1.632 2.533 13.835 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.089 2.445 16.423 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.929 1.013 15.862 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.760 4.625 14.801 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.040 4.228 13.262 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.881 3.937 14.803 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.320 2.294 17.413 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.053 2.271 15.791 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.199 3.725 16.361 1.00 0.00 H new ATOM 849 N SER A 58 -1.183 2.404 11.595 1.00 0.00 N ATOM 850 CA SER A 58 -1.225 2.672 10.162 1.00 0.00 C ATOM 851 C SER A 58 -0.816 4.112 9.866 1.00 0.00 C ATOM 852 O SER A 58 -1.310 5.051 10.491 1.00 0.00 O ATOM 853 CB SER A 58 -2.628 2.405 9.613 1.00 0.00 C ATOM 854 OG SER A 58 -3.518 3.453 9.956 1.00 0.00 O ATOM 0 H SER A 58 -1.980 2.771 12.116 1.00 0.00 H new ATOM 0 HA SER A 58 -0.517 2.004 9.671 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.584 2.301 8.529 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.003 1.461 10.009 1.00 0.00 H new ATOM 0 HG SER A 58 -4.407 3.259 9.592 1.00 0.00 H new ATOM 860 N LYS A 59 0.090 4.278 8.909 1.00 0.00 N ATOM 861 CA LYS A 59 0.566 5.602 8.527 1.00 0.00 C ATOM 862 C LYS A 59 0.417 5.821 7.025 1.00 0.00 C ATOM 863 O LYS A 59 0.812 4.975 6.222 1.00 0.00 O ATOM 864 CB LYS A 59 2.030 5.777 8.936 1.00 0.00 C ATOM 865 CG LYS A 59 2.597 7.145 8.598 1.00 0.00 C ATOM 866 CD LYS A 59 3.350 7.126 7.278 1.00 0.00 C ATOM 867 CE LYS A 59 3.597 8.534 6.757 1.00 0.00 C ATOM 868 NZ LYS A 59 3.879 8.543 5.295 1.00 0.00 N ATOM 0 H LYS A 59 0.510 3.511 8.383 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.041 6.343 9.046 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.121 5.610 10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.630 5.012 8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.787 7.873 8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.266 7.470 9.395 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.303 6.613 7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.781 6.559 6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.725 9.155 6.963 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.437 8.977 7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.390 9.347 4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.903 8.633 5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.541 7.656 4.871 1.00 0.00 H new ATOM 882 N ASP A 60 -0.153 6.962 6.652 1.00 0.00 N ATOM 883 CA ASP A 60 -0.351 7.294 5.246 1.00 0.00 C ATOM 884 C ASP A 60 -0.752 6.057 4.447 1.00 0.00 C ATOM 885 O ASP A 60 -0.428 5.936 3.267 1.00 0.00 O ATOM 886 CB ASP A 60 0.923 7.904 4.659 1.00 0.00 C ATOM 887 CG ASP A 60 1.061 9.378 4.983 1.00 0.00 C ATOM 888 OD1 ASP A 60 0.511 9.812 6.016 1.00 0.00 O ATOM 889 OD2 ASP A 60 1.718 10.098 4.202 1.00 0.00 O ATOM 0 H ASP A 60 -0.486 7.672 7.304 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.157 8.024 5.181 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.790 7.368 5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.921 7.771 3.577 1.00 0.00 H new ATOM 894 N GLY A 61 -1.461 5.141 5.101 1.00 0.00 N ATOM 895 CA GLY A 61 -1.894 3.926 4.436 1.00 0.00 C ATOM 896 C GLY A 61 -0.818 2.857 4.424 1.00 0.00 C ATOM 897 O GLY A 61 -0.670 2.127 3.444 1.00 0.00 O ATOM 0 H GLY A 61 -1.743 5.219 6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.782 3.538 4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.182 4.159 3.411 1.00 0.00 H new ATOM 901 N VAL A 62 -0.064 2.766 5.514 1.00 0.00 N ATOM 902 CA VAL A 62 1.004 1.780 5.625 1.00 0.00 C ATOM 903 C VAL A 62 1.078 1.206 7.036 1.00 0.00 C ATOM 904 O VAL A 62 1.190 1.933 8.023 1.00 0.00 O ATOM 905 CB VAL A 62 2.370 2.388 5.257 1.00 0.00 C ATOM 906 CG1 VAL A 62 3.464 1.333 5.337 1.00 0.00 C ATOM 907 CG2 VAL A 62 2.320 3.011 3.870 1.00 0.00 C ATOM 0 H VAL A 62 -0.173 3.363 6.333 1.00 0.00 H new ATOM 0 HA VAL A 62 0.770 0.980 4.923 1.00 0.00 H new ATOM 0 HB VAL A 62 2.603 3.174 5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.422 1.781 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.515 0.938 6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.240 0.523 4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.294 3.436 3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.064 2.246 3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.566 3.798 3.852 1.00 0.00 H new ATOM 917 N PRO A 63 1.016 -0.130 7.135 1.00 0.00 N ATOM 918 CA PRO A 63 1.076 -0.832 8.421 1.00 0.00 C ATOM 919 C PRO A 63 2.457 -0.750 9.062 1.00 0.00 C ATOM 920 O PRO A 63 3.467 -1.051 8.425 1.00 0.00 O ATOM 921 CB PRO A 63 0.743 -2.279 8.051 1.00 0.00 C ATOM 922 CG PRO A 63 1.138 -2.405 6.620 1.00 0.00 C ATOM 923 CD PRO A 63 0.883 -1.059 6.000 1.00 0.00 C ATOM 0 HA PRO A 63 0.396 -0.398 9.154 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.291 -2.984 8.676 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.318 -2.489 8.189 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.188 -2.684 6.528 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.557 -3.181 6.122 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.603 -0.837 5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.109 -1.005 5.550 1.00 0.00 H new ATOM 931 N TYR A 64 2.494 -0.343 10.326 1.00 0.00 N ATOM 932 CA TYR A 64 3.752 -0.220 11.053 1.00 0.00 C ATOM 933 C TYR A 64 3.606 -0.728 12.484 1.00 0.00 C ATOM 934 O TYR A 64 2.527 -0.657 13.074 1.00 0.00 O ATOM 935 CB TYR A 64 4.220 1.236 11.062 1.00 0.00 C ATOM 936 CG TYR A 64 4.679 1.732 9.709 1.00 0.00 C ATOM 937 CD1 TYR A 64 5.818 1.213 9.106 1.00 0.00 C ATOM 938 CD2 TYR A 64 3.973 2.721 9.034 1.00 0.00 C ATOM 939 CE1 TYR A 64 6.241 1.665 7.871 1.00 0.00 C ATOM 940 CE2 TYR A 64 4.388 3.177 7.798 1.00 0.00 C ATOM 941 CZ TYR A 64 5.523 2.646 7.221 1.00 0.00 C ATOM 942 OH TYR A 64 5.941 3.098 5.990 1.00 0.00 O ATOM 0 H TYR A 64 1.667 -0.093 10.868 1.00 0.00 H new ATOM 0 HA TYR A 64 4.498 -0.831 10.544 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.405 1.869 11.415 1.00 0.00 H new ATOM 0 HB3 TYR A 64 5.037 1.342 11.775 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.382 0.443 9.611 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.085 3.140 9.484 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.130 1.252 7.417 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.827 3.945 7.286 1.00 0.00 H new ATOM 0 HH TYR A 64 5.324 3.788 5.668 1.00 0.00 H new ATOM 952 N CYS A 65 4.700 -1.241 13.038 1.00 0.00 N ATOM 953 CA CYS A 65 4.696 -1.761 14.399 1.00 0.00 C ATOM 954 C CYS A 65 4.986 -0.651 15.406 1.00 0.00 C ATOM 955 O CYS A 65 5.405 0.444 15.033 1.00 0.00 O ATOM 956 CB CYS A 65 5.732 -2.878 14.543 1.00 0.00 C ATOM 957 SG CYS A 65 7.445 -2.350 14.221 1.00 0.00 S ATOM 0 H CYS A 65 5.601 -1.307 12.564 1.00 0.00 H new ATOM 0 HA CYS A 65 3.705 -2.165 14.605 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.673 -3.286 15.552 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.477 -3.686 13.857 1.00 0.00 H new ATOM 962 N GLU A 66 4.760 -0.944 16.683 1.00 0.00 N ATOM 963 CA GLU A 66 4.997 0.029 17.743 1.00 0.00 C ATOM 964 C GLU A 66 6.485 0.342 17.872 1.00 0.00 C ATOM 965 O GLU A 66 6.881 1.219 18.639 1.00 0.00 O ATOM 966 CB GLU A 66 4.457 -0.494 19.076 1.00 0.00 C ATOM 967 CG GLU A 66 3.006 -0.942 19.012 1.00 0.00 C ATOM 968 CD GLU A 66 2.284 -0.770 20.334 1.00 0.00 C ATOM 969 OE1 GLU A 66 2.675 -1.435 21.315 1.00 0.00 O ATOM 970 OE2 GLU A 66 1.327 0.031 20.386 1.00 0.00 O ATOM 0 H GLU A 66 4.413 -1.847 17.008 1.00 0.00 H new ATOM 0 HA GLU A 66 4.472 0.948 17.482 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.073 -1.331 19.404 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.554 0.288 19.829 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.487 -0.371 18.242 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.966 -1.990 18.714 1.00 0.00 H new ATOM 977 N SER A 67 7.304 -0.382 17.116 1.00 0.00 N ATOM 978 CA SER A 67 8.748 -0.185 17.148 1.00 0.00 C ATOM 979 C SER A 67 9.175 0.870 16.133 1.00 0.00 C ATOM 980 O SER A 67 9.567 1.978 16.500 1.00 0.00 O ATOM 981 CB SER A 67 9.470 -1.504 16.864 1.00 0.00 C ATOM 982 OG SER A 67 10.848 -1.409 17.179 1.00 0.00 O ATOM 0 H SER A 67 6.992 -1.110 16.474 1.00 0.00 H new ATOM 0 HA SER A 67 9.020 0.163 18.144 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.015 -2.304 17.447 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.351 -1.768 15.813 1.00 0.00 H new ATOM 0 HG SER A 67 11.286 -2.265 16.990 1.00 0.00 H new ATOM 988 N ASP A 68 9.097 0.518 14.854 1.00 0.00 N ATOM 989 CA ASP A 68 9.474 1.434 13.784 1.00 0.00 C ATOM 990 C ASP A 68 8.654 2.719 13.854 1.00 0.00 C ATOM 991 O ASP A 68 9.204 3.812 13.994 1.00 0.00 O ATOM 992 CB ASP A 68 9.284 0.767 12.421 1.00 0.00 C ATOM 993 CG ASP A 68 10.323 -0.303 12.150 1.00 0.00 C ATOM 994 OD1 ASP A 68 11.522 -0.034 12.373 1.00 0.00 O ATOM 995 OD2 ASP A 68 9.938 -1.408 11.715 1.00 0.00 O ATOM 0 H ASP A 68 8.776 -0.395 14.533 1.00 0.00 H new ATOM 0 HA ASP A 68 10.526 1.688 13.912 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.289 0.324 12.372 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.334 1.525 11.639 1.00 0.00 H new ATOM 1000 N TYR A 69 7.337 2.580 13.755 1.00 0.00 N ATOM 1001 CA TYR A 69 6.441 3.729 13.804 1.00 0.00 C ATOM 1002 C TYR A 69 6.859 4.699 14.905 1.00 0.00 C ATOM 1003 O TYR A 69 7.142 5.869 14.644 1.00 0.00 O ATOM 1004 CB TYR A 69 5.000 3.270 14.032 1.00 0.00 C ATOM 1005 CG TYR A 69 3.997 4.402 14.036 1.00 0.00 C ATOM 1006 CD1 TYR A 69 3.973 5.331 15.068 1.00 0.00 C ATOM 1007 CD2 TYR A 69 3.075 4.542 13.006 1.00 0.00 C ATOM 1008 CE1 TYR A 69 3.058 6.366 15.076 1.00 0.00 C ATOM 1009 CE2 TYR A 69 2.157 5.574 13.005 1.00 0.00 C ATOM 1010 CZ TYR A 69 2.152 6.483 14.042 1.00 0.00 C ATOM 1011 OH TYR A 69 1.240 7.514 14.045 1.00 0.00 O ATOM 0 H TYR A 69 6.866 1.683 13.640 1.00 0.00 H new ATOM 0 HA TYR A 69 6.502 4.246 12.847 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.727 2.557 13.254 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.942 2.741 14.983 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.682 5.243 15.878 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.076 3.832 12.192 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.052 7.079 15.887 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.447 5.669 12.197 1.00 0.00 H new ATOM 0 HH TYR A 69 0.676 7.454 13.246 1.00 0.00 H new ATOM 1021 N HIS A 70 6.894 4.204 16.138 1.00 0.00 N ATOM 1022 CA HIS A 70 7.278 5.025 17.281 1.00 0.00 C ATOM 1023 C HIS A 70 8.663 5.631 17.073 1.00 0.00 C ATOM 1024 O HIS A 70 8.990 6.668 17.650 1.00 0.00 O ATOM 1025 CB HIS A 70 7.261 4.192 18.563 1.00 0.00 C ATOM 1026 CG HIS A 70 5.884 3.957 19.105 1.00 0.00 C ATOM 1027 ND1 HIS A 70 5.535 4.222 20.412 1.00 0.00 N ATOM 1028 CD2 HIS A 70 4.768 3.478 18.508 1.00 0.00 C ATOM 1029 CE1 HIS A 70 4.263 3.916 20.596 1.00 0.00 C ATOM 1030 NE2 HIS A 70 3.774 3.463 19.456 1.00 0.00 N ATOM 0 H HIS A 70 6.661 3.239 16.371 1.00 0.00 H new ATOM 0 HA HIS A 70 6.555 5.836 17.374 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.735 3.230 18.368 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.861 4.695 19.322 1.00 0.00 H new ATOM 0 HD1 HIS A 70 6.161 4.596 21.125 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.676 3.166 17.478 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.716 4.019 21.522 1.00 0.00 H new ATOM 1039 N ALA A 71 9.472 4.977 16.247 1.00 0.00 N ATOM 1040 CA ALA A 71 10.820 5.453 15.962 1.00 0.00 C ATOM 1041 C ALA A 71 10.845 6.313 14.704 1.00 0.00 C ATOM 1042 O ALA A 71 11.794 7.063 14.472 1.00 0.00 O ATOM 1043 CB ALA A 71 11.776 4.277 15.819 1.00 0.00 C ATOM 0 H ALA A 71 9.218 4.116 15.763 1.00 0.00 H new ATOM 0 HA ALA A 71 11.144 6.071 16.799 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.779 4.647 15.606 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.790 3.704 16.746 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.445 3.636 15.002 1.00 0.00 H new ATOM 1049 N GLN A 72 9.797 6.200 13.894 1.00 0.00 N ATOM 1050 CA GLN A 72 9.701 6.967 12.658 1.00 0.00 C ATOM 1051 C GLN A 72 9.038 8.318 12.906 1.00 0.00 C ATOM 1052 O GLN A 72 9.655 9.367 12.720 1.00 0.00 O ATOM 1053 CB GLN A 72 8.912 6.184 11.607 1.00 0.00 C ATOM 1054 CG GLN A 72 9.786 5.344 10.690 1.00 0.00 C ATOM 1055 CD GLN A 72 8.979 4.520 9.707 1.00 0.00 C ATOM 1056 OE1 GLN A 72 8.953 4.810 8.510 1.00 0.00 O ATOM 1057 NE2 GLN A 72 8.313 3.486 10.207 1.00 0.00 N ATOM 0 H GLN A 72 9.003 5.585 14.072 1.00 0.00 H new ATOM 0 HA GLN A 72 10.712 7.141 12.289 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.198 5.533 12.112 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.334 6.884 11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.463 5.998 10.140 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.405 4.679 11.293 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.363 3.282 11.205 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.752 2.896 9.593 1.00 0.00 H new ATOM 1066 N PHE A 73 7.778 8.285 13.327 1.00 0.00 N ATOM 1067 CA PHE A 73 7.031 9.507 13.599 1.00 0.00 C ATOM 1068 C PHE A 73 6.769 9.663 15.095 1.00 0.00 C ATOM 1069 O PHE A 73 6.171 10.644 15.533 1.00 0.00 O ATOM 1070 CB PHE A 73 5.706 9.501 12.835 1.00 0.00 C ATOM 1071 CG PHE A 73 5.837 9.043 11.411 1.00 0.00 C ATOM 1072 CD1 PHE A 73 6.077 7.711 11.117 1.00 0.00 C ATOM 1073 CD2 PHE A 73 5.719 9.945 10.366 1.00 0.00 C ATOM 1074 CE1 PHE A 73 6.199 7.287 9.807 1.00 0.00 C ATOM 1075 CE2 PHE A 73 5.840 9.528 9.054 1.00 0.00 C ATOM 1076 CZ PHE A 73 6.079 8.196 8.774 1.00 0.00 C ATOM 0 H PHE A 73 7.253 7.425 13.487 1.00 0.00 H new ATOM 0 HA PHE A 73 7.631 10.353 13.263 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.000 8.852 13.353 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.284 10.506 12.848 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.170 6.995 11.921 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.530 10.987 10.579 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.388 6.246 9.591 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.748 10.242 8.249 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.172 7.867 7.750 1.00 0.00 H new ATOM 1086 N GLY A 74 7.221 8.684 15.874 1.00 0.00 N ATOM 1087 CA GLY A 74 7.025 8.730 17.311 1.00 0.00 C ATOM 1088 C GLY A 74 8.075 9.569 18.012 1.00 0.00 C ATOM 1089 O GLY A 74 7.771 10.284 18.967 1.00 0.00 O ATOM 0 H GLY A 74 7.719 7.861 15.535 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.037 9.135 17.527 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.048 7.716 17.711 1.00 0.00 H new ATOM 1093 N SER A 75 9.314 9.481 17.539 1.00 0.00 N ATOM 1094 CA SER A 75 10.413 10.235 18.132 1.00 0.00 C ATOM 1095 C SER A 75 11.038 11.179 17.109 1.00 0.00 C ATOM 1096 O SER A 75 10.769 11.081 15.912 1.00 0.00 O ATOM 1097 CB SER A 75 11.477 9.281 18.678 1.00 0.00 C ATOM 1098 OG SER A 75 11.015 8.614 19.840 1.00 0.00 O ATOM 0 H SER A 75 9.582 8.896 16.748 1.00 0.00 H new ATOM 0 HA SER A 75 10.012 10.830 18.953 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.740 8.549 17.915 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.384 9.838 18.911 1.00 0.00 H new ATOM 0 HG SER A 75 11.712 8.009 20.169 1.00 0.00 H new ATOM 1104 N GLY A 76 11.874 12.094 17.590 1.00 0.00 N ATOM 1105 CA GLY A 76 12.524 13.043 16.706 1.00 0.00 C ATOM 1106 C GLY A 76 13.907 12.589 16.283 1.00 0.00 C ATOM 1107 O GLY A 76 14.614 11.908 17.027 1.00 0.00 O ATOM 0 H GLY A 76 12.113 12.195 18.577 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.907 13.191 15.820 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.599 14.008 17.207 1.00 0.00 H new ATOM 1111 N PRO A 77 14.311 12.967 15.062 1.00 0.00 N ATOM 1112 CA PRO A 77 15.621 12.604 14.514 1.00 0.00 C ATOM 1113 C PRO A 77 16.765 13.322 15.222 1.00 0.00 C ATOM 1114 O PRO A 77 17.934 13.132 14.884 1.00 0.00 O ATOM 1115 CB PRO A 77 15.531 13.052 13.053 1.00 0.00 C ATOM 1116 CG PRO A 77 14.514 14.140 13.052 1.00 0.00 C ATOM 1117 CD PRO A 77 13.520 13.779 14.121 1.00 0.00 C ATOM 0 HA PRO A 77 15.834 11.542 14.636 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.494 13.410 12.689 1.00 0.00 H new ATOM 0 HB3 PRO A 77 15.231 12.229 12.404 1.00 0.00 H new ATOM 0 HG2 PRO A 77 14.975 15.106 13.258 1.00 0.00 H new ATOM 0 HG3 PRO A 77 14.029 14.220 12.079 1.00 0.00 H new ATOM 0 HD2 PRO A 77 13.108 14.666 14.603 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.679 13.218 13.715 1.00 0.00 H new ATOM 1125 N SER A 78 16.421 14.147 16.205 1.00 0.00 N ATOM 1126 CA SER A 78 17.419 14.897 16.959 1.00 0.00 C ATOM 1127 C SER A 78 17.535 14.366 18.385 1.00 0.00 C ATOM 1128 O SER A 78 16.652 13.658 18.869 1.00 0.00 O ATOM 1129 CB SER A 78 17.060 16.384 16.983 1.00 0.00 C ATOM 1130 OG SER A 78 17.513 17.037 15.810 1.00 0.00 O ATOM 0 H SER A 78 15.458 14.313 16.498 1.00 0.00 H new ATOM 0 HA SER A 78 18.382 14.772 16.464 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.980 16.499 17.073 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.505 16.855 17.860 1.00 0.00 H new ATOM 0 HG SER A 78 17.270 17.986 15.849 1.00 0.00 H new ATOM 1136 N SER A 79 18.630 14.714 19.052 1.00 0.00 N ATOM 1137 CA SER A 79 18.865 14.271 20.421 1.00 0.00 C ATOM 1138 C SER A 79 19.531 15.371 21.242 1.00 0.00 C ATOM 1139 O SER A 79 19.848 16.441 20.725 1.00 0.00 O ATOM 1140 CB SER A 79 19.736 13.013 20.430 1.00 0.00 C ATOM 1141 OG SER A 79 21.022 13.280 19.900 1.00 0.00 O ATOM 0 H SER A 79 19.369 15.302 18.666 1.00 0.00 H new ATOM 0 HA SER A 79 17.900 14.039 20.872 1.00 0.00 H new ATOM 0 HB2 SER A 79 19.830 12.639 21.450 1.00 0.00 H new ATOM 0 HB3 SER A 79 19.254 12.229 19.846 1.00 0.00 H new ATOM 0 HG SER A 79 21.560 12.461 19.918 1.00 0.00 H new ATOM 1147 N GLY A 80 19.741 15.097 22.526 1.00 0.00 N ATOM 1148 CA GLY A 80 20.369 16.072 23.399 1.00 0.00 C ATOM 1149 C GLY A 80 21.231 15.426 24.465 1.00 0.00 C ATOM 1150 O GLY A 80 20.750 14.538 25.167 1.00 0.00 O ATOM 0 H GLY A 80 19.488 14.218 22.977 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.981 16.748 22.802 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.598 16.677 23.877 1.00 0.00 H new TER 1154 GLY A 80 HETATM 1155 ZN ZN A 201 -0.709 -12.519 0.640 1.00 0.00 ZN HETATM 1156 ZN ZN A 401 8.342 -2.283 12.247 1.00 0.00 ZN