USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 hydrogens (9 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 30 SER OG : rot 111:sc= 0.0096 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= -0.137 USER MOD Set 2.1: A 18 TYR OH : rot 29:sc= 0.0797 USER MOD Set 2.2: A 40 LYS NZ :NH3+ -134:sc= -0.828 (180deg=-1.05) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0123 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 7 SER OG : rot 25:sc= 0.0031 USER MOD Single : A 9 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.34) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -14.6! C(o=-15!,f=-19!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -2.59! C(o=-2.6!,f=-4.8!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 110:sc= -0.868 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 151:sc= 1.17 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -6.32! C(o=-6.3!,f=-9.9!) USER MOD Single : A 57 LYS NZ :NH3+ 150:sc= -0.0383 (180deg=-0.625) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.588 -35.282 -7.939 1.00 0.00 N ATOM 2 CA GLY A 1 -18.548 -34.077 -7.063 1.00 0.00 C ATOM 3 C GLY A 1 -18.400 -32.823 -7.925 1.00 0.00 C ATOM 4 O GLY A 1 -19.008 -32.702 -8.970 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.330 -35.930 -7.605 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.795 -34.994 -8.917 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.667 -35.764 -7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.459 -34.017 -6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.715 -34.151 -6.364 1.00 0.00 H new ATOM 7 N ASP A 2 -17.597 -31.888 -7.495 1.00 0.00 N ATOM 8 CA ASP A 2 -17.411 -30.641 -8.291 1.00 0.00 C ATOM 9 C ASP A 2 -15.920 -30.369 -8.504 1.00 0.00 C ATOM 10 O ASP A 2 -15.376 -29.409 -7.994 1.00 0.00 O ATOM 11 CB ASP A 2 -18.043 -29.535 -7.446 1.00 0.00 C ATOM 12 CG ASP A 2 -17.558 -29.658 -6.000 1.00 0.00 C ATOM 13 OD1 ASP A 2 -16.368 -29.843 -5.809 1.00 0.00 O ATOM 14 OD2 ASP A 2 -18.387 -29.566 -5.109 1.00 0.00 O ATOM 0 H ASP A 2 -17.062 -31.933 -6.628 1.00 0.00 H new ATOM 0 HA ASP A 2 -17.866 -30.709 -9.279 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -17.776 -28.558 -7.848 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -19.130 -29.610 -7.484 1.00 0.00 H new ATOM 19 N THR A 3 -15.255 -31.204 -9.254 1.00 0.00 N ATOM 20 CA THR A 3 -13.800 -30.990 -9.498 1.00 0.00 C ATOM 21 C THR A 3 -13.439 -31.394 -10.931 1.00 0.00 C ATOM 22 O THR A 3 -14.109 -32.199 -11.546 1.00 0.00 O ATOM 23 CB THR A 3 -13.092 -31.897 -8.490 1.00 0.00 C ATOM 24 OG1 THR A 3 -13.542 -31.586 -7.179 1.00 0.00 O ATOM 25 CG2 THR A 3 -11.581 -31.679 -8.579 1.00 0.00 C ATOM 0 H THR A 3 -15.656 -32.025 -9.708 1.00 0.00 H new ATOM 0 HA THR A 3 -13.510 -29.946 -9.380 1.00 0.00 H new ATOM 0 HB THR A 3 -13.320 -32.939 -8.715 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.091 -32.167 -6.532 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.077 -32.326 -7.861 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.238 -31.918 -9.585 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.350 -30.638 -8.355 1.00 0.00 H new ATOM 33 N LEU A 4 -12.387 -30.838 -11.465 1.00 0.00 N ATOM 34 CA LEU A 4 -11.984 -31.188 -12.858 1.00 0.00 C ATOM 35 C LEU A 4 -11.009 -32.368 -12.847 1.00 0.00 C ATOM 36 O LEU A 4 -11.319 -33.446 -13.314 1.00 0.00 O ATOM 37 CB LEU A 4 -11.301 -29.932 -13.399 1.00 0.00 C ATOM 38 CG LEU A 4 -11.059 -30.087 -14.900 1.00 0.00 C ATOM 39 CD1 LEU A 4 -9.952 -31.115 -15.137 1.00 0.00 C ATOM 40 CD2 LEU A 4 -12.347 -30.563 -15.577 1.00 0.00 C ATOM 0 H LEU A 4 -11.789 -30.157 -10.998 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.834 -31.486 -13.471 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.923 -29.057 -13.209 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.355 -29.769 -12.883 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.759 -29.127 -15.319 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.780 -31.225 -16.208 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.034 -30.779 -14.655 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.251 -32.075 -14.717 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.176 -30.674 -16.648 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.646 -31.523 -15.156 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.138 -29.831 -15.410 1.00 0.00 H new ATOM 52 N GLY A 5 -9.832 -32.172 -12.317 1.00 0.00 N ATOM 53 CA GLY A 5 -8.839 -33.282 -12.279 1.00 0.00 C ATOM 54 C GLY A 5 -8.932 -34.005 -10.934 1.00 0.00 C ATOM 55 O GLY A 5 -9.899 -34.683 -10.648 1.00 0.00 O ATOM 0 H GLY A 5 -9.516 -31.292 -11.909 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.028 -33.981 -13.093 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.833 -32.889 -12.424 1.00 0.00 H new ATOM 59 N ALA A 6 -7.932 -33.867 -10.106 1.00 0.00 N ATOM 60 CA ALA A 6 -7.964 -34.548 -8.779 1.00 0.00 C ATOM 61 C ALA A 6 -7.733 -33.534 -7.656 1.00 0.00 C ATOM 62 O ALA A 6 -8.172 -33.720 -6.538 1.00 0.00 O ATOM 63 CB ALA A 6 -6.823 -35.564 -8.828 1.00 0.00 C ATOM 0 H ALA A 6 -7.095 -33.313 -10.290 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.925 -35.023 -8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.780 -36.108 -7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.995 -36.266 -9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.879 -35.044 -8.990 1.00 0.00 H new ATOM 69 N SER A 7 -7.045 -32.463 -7.941 1.00 0.00 N ATOM 70 CA SER A 7 -6.786 -31.441 -6.886 1.00 0.00 C ATOM 71 C SER A 7 -6.922 -30.030 -7.466 1.00 0.00 C ATOM 72 O SER A 7 -6.655 -29.049 -6.801 1.00 0.00 O ATOM 73 CB SER A 7 -5.351 -31.697 -6.431 1.00 0.00 C ATOM 74 OG SER A 7 -5.361 -32.617 -5.346 1.00 0.00 O ATOM 0 H SER A 7 -6.651 -32.251 -8.858 1.00 0.00 H new ATOM 0 HA SER A 7 -7.495 -31.513 -6.061 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.761 -32.096 -7.256 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.881 -30.762 -6.126 1.00 0.00 H new ATOM 0 HG SER A 7 -6.173 -33.163 -5.388 1.00 0.00 H new ATOM 80 N TRP A 8 -7.336 -29.920 -8.699 1.00 0.00 N ATOM 81 CA TRP A 8 -7.488 -28.569 -9.314 1.00 0.00 C ATOM 82 C TRP A 8 -8.716 -27.862 -8.734 1.00 0.00 C ATOM 83 O TRP A 8 -9.707 -27.664 -9.410 1.00 0.00 O ATOM 84 CB TRP A 8 -7.671 -28.831 -10.809 1.00 0.00 C ATOM 85 CG TRP A 8 -6.418 -28.464 -11.537 1.00 0.00 C ATOM 86 CD1 TRP A 8 -5.627 -27.408 -11.236 1.00 0.00 C ATOM 87 CD2 TRP A 8 -5.798 -29.127 -12.677 1.00 0.00 C ATOM 88 NE1 TRP A 8 -4.561 -27.382 -12.117 1.00 0.00 N ATOM 89 CE2 TRP A 8 -4.622 -28.421 -13.025 1.00 0.00 C ATOM 90 CE3 TRP A 8 -6.139 -30.262 -13.435 1.00 0.00 C ATOM 91 CZ2 TRP A 8 -3.812 -28.827 -14.087 1.00 0.00 C ATOM 92 CZ3 TRP A 8 -5.327 -30.673 -14.505 1.00 0.00 C ATOM 93 CH2 TRP A 8 -4.166 -29.956 -14.830 1.00 0.00 C ATOM 0 H TRP A 8 -7.575 -30.704 -9.306 1.00 0.00 H new ATOM 0 HA TRP A 8 -6.630 -27.926 -9.118 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -7.908 -29.881 -10.979 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -8.510 -28.249 -11.191 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.800 -26.701 -10.438 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -3.820 -26.681 -12.098 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -7.031 -30.821 -13.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.918 -28.272 -14.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.598 -31.546 -15.081 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.546 -30.277 -15.654 1.00 0.00 H new ATOM 104 N HIS A 9 -8.657 -27.483 -7.487 1.00 0.00 N ATOM 105 CA HIS A 9 -9.821 -26.792 -6.861 1.00 0.00 C ATOM 106 C HIS A 9 -9.862 -25.322 -7.290 1.00 0.00 C ATOM 107 O HIS A 9 -8.940 -24.816 -7.897 1.00 0.00 O ATOM 108 CB HIS A 9 -9.582 -26.903 -5.354 1.00 0.00 C ATOM 109 CG HIS A 9 -10.782 -27.530 -4.700 1.00 0.00 C ATOM 110 ND1 HIS A 9 -11.450 -28.609 -5.260 1.00 0.00 N ATOM 111 CD2 HIS A 9 -11.446 -27.242 -3.534 1.00 0.00 C ATOM 112 CE1 HIS A 9 -12.465 -28.928 -4.436 1.00 0.00 C ATOM 113 NE2 HIS A 9 -12.509 -28.125 -3.369 1.00 0.00 N ATOM 0 H HIS A 9 -7.854 -27.622 -6.874 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.771 -27.235 -7.159 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.693 -27.504 -5.159 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.398 -25.916 -4.931 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.183 -26.450 -2.848 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -13.160 -29.735 -4.615 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -13.178 -28.153 -2.599 1.00 0.00 H new ATOM 121 N ARG A 10 -10.926 -24.632 -6.977 1.00 0.00 N ATOM 122 CA ARG A 10 -11.026 -23.197 -7.367 1.00 0.00 C ATOM 123 C ARG A 10 -10.540 -22.303 -6.222 1.00 0.00 C ATOM 124 O ARG A 10 -11.206 -22.167 -5.214 1.00 0.00 O ATOM 125 CB ARG A 10 -12.514 -22.961 -7.636 1.00 0.00 C ATOM 126 CG ARG A 10 -12.952 -23.789 -8.845 1.00 0.00 C ATOM 127 CD ARG A 10 -13.202 -22.861 -10.036 1.00 0.00 C ATOM 128 NE ARG A 10 -11.849 -22.565 -10.582 1.00 0.00 N ATOM 129 CZ ARG A 10 -11.722 -22.097 -11.794 1.00 0.00 C ATOM 130 NH1 ARG A 10 -11.608 -22.918 -12.801 1.00 0.00 N ATOM 131 NH2 ARG A 10 -11.707 -20.808 -11.997 1.00 0.00 N ATOM 0 H ARG A 10 -11.730 -25.000 -6.468 1.00 0.00 H new ATOM 0 HA ARG A 10 -10.412 -22.962 -8.237 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.101 -23.238 -6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.698 -21.903 -7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.184 -24.521 -9.096 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.858 -24.346 -8.608 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.834 -23.340 -10.784 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.711 -21.948 -9.726 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.021 -22.728 -10.009 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.618 -23.925 -12.641 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.509 -22.553 -13.748 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.794 -20.167 -11.209 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.608 -20.442 -12.944 1.00 0.00 H new ATOM 145 N PRO A 11 -9.390 -21.718 -6.421 1.00 0.00 N ATOM 146 CA PRO A 11 -8.803 -20.822 -5.394 1.00 0.00 C ATOM 147 C PRO A 11 -9.577 -19.502 -5.335 1.00 0.00 C ATOM 148 O PRO A 11 -10.526 -19.294 -6.065 1.00 0.00 O ATOM 149 CB PRO A 11 -7.377 -20.597 -5.890 1.00 0.00 C ATOM 150 CG PRO A 11 -7.439 -20.830 -7.366 1.00 0.00 C ATOM 151 CD PRO A 11 -8.536 -21.835 -7.607 1.00 0.00 C ATOM 0 HA PRO A 11 -8.837 -21.239 -4.388 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.035 -19.587 -5.664 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.680 -21.284 -5.411 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.645 -19.900 -7.895 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.485 -21.204 -7.738 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.088 -21.612 -8.520 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.137 -22.844 -7.714 1.00 0.00 H new ATOM 159 N ASP A 12 -9.183 -18.610 -4.469 1.00 0.00 N ATOM 160 CA ASP A 12 -9.898 -17.306 -4.363 1.00 0.00 C ATOM 161 C ASP A 12 -8.907 -16.181 -4.054 1.00 0.00 C ATOM 162 O ASP A 12 -9.197 -15.274 -3.300 1.00 0.00 O ATOM 163 CB ASP A 12 -10.883 -17.490 -3.207 1.00 0.00 C ATOM 164 CG ASP A 12 -11.724 -16.223 -3.044 1.00 0.00 C ATOM 165 OD1 ASP A 12 -12.530 -15.954 -3.919 1.00 0.00 O ATOM 166 OD2 ASP A 12 -11.548 -15.543 -2.047 1.00 0.00 O ATOM 0 H ASP A 12 -8.397 -18.727 -3.830 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.403 -17.034 -5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.530 -18.346 -3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.342 -17.701 -2.285 1.00 0.00 H new ATOM 171 N LYS A 13 -7.738 -16.233 -4.632 1.00 0.00 N ATOM 172 CA LYS A 13 -6.727 -15.167 -4.374 1.00 0.00 C ATOM 173 C LYS A 13 -7.365 -13.784 -4.531 1.00 0.00 C ATOM 174 O LYS A 13 -8.089 -13.526 -5.472 1.00 0.00 O ATOM 175 CB LYS A 13 -5.648 -15.382 -5.434 1.00 0.00 C ATOM 176 CG LYS A 13 -4.347 -15.818 -4.759 1.00 0.00 C ATOM 177 CD LYS A 13 -3.347 -16.271 -5.824 1.00 0.00 C ATOM 178 CE LYS A 13 -1.992 -15.610 -5.566 1.00 0.00 C ATOM 179 NZ LYS A 13 -1.009 -16.729 -5.592 1.00 0.00 N ATOM 0 H LYS A 13 -7.439 -16.968 -5.272 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.322 -15.217 -3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.971 -16.140 -6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.488 -14.462 -5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.930 -14.993 -4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.542 -16.631 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.244 -17.356 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.711 -16.004 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.764 -14.866 -6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.980 -15.096 -4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.053 -16.356 -5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.248 -17.418 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.039 -17.195 -6.521 1.00 0.00 H new ATOM 193 N CYS A 14 -7.102 -12.893 -3.614 1.00 0.00 N ATOM 194 CA CYS A 14 -7.696 -11.528 -3.708 1.00 0.00 C ATOM 195 C CYS A 14 -6.606 -10.460 -3.587 1.00 0.00 C ATOM 196 O CYS A 14 -6.742 -9.362 -4.088 1.00 0.00 O ATOM 197 CB CYS A 14 -8.660 -11.435 -2.527 1.00 0.00 C ATOM 198 SG CYS A 14 -10.302 -11.997 -3.037 1.00 0.00 S ATOM 0 H CYS A 14 -6.502 -13.051 -2.804 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.196 -11.365 -4.663 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.297 -12.045 -1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.712 -10.407 -2.167 1.00 0.00 H new ATOM 203 N CYS A 15 -5.533 -10.768 -2.914 1.00 0.00 N ATOM 204 CA CYS A 15 -4.446 -9.761 -2.750 1.00 0.00 C ATOM 205 C CYS A 15 -3.104 -10.454 -2.495 1.00 0.00 C ATOM 206 O CYS A 15 -3.004 -11.665 -2.505 1.00 0.00 O ATOM 207 CB CYS A 15 -4.859 -8.949 -1.523 1.00 0.00 C ATOM 208 SG CYS A 15 -4.859 -7.187 -1.926 1.00 0.00 S ATOM 0 H CYS A 15 -5.361 -11.671 -2.471 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.318 -9.144 -3.639 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.851 -9.255 -1.190 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.172 -9.143 -0.699 1.00 0.00 H new ATOM 213 N LEU A 16 -2.076 -9.688 -2.248 1.00 0.00 N ATOM 214 CA LEU A 16 -0.739 -10.290 -1.971 1.00 0.00 C ATOM 215 C LEU A 16 -0.660 -10.692 -0.498 1.00 0.00 C ATOM 216 O LEU A 16 0.407 -10.888 0.049 1.00 0.00 O ATOM 217 CB LEU A 16 0.265 -9.176 -2.267 1.00 0.00 C ATOM 218 CG LEU A 16 1.163 -9.593 -3.433 1.00 0.00 C ATOM 219 CD1 LEU A 16 1.690 -8.345 -4.145 1.00 0.00 C ATOM 220 CD2 LEU A 16 2.342 -10.409 -2.899 1.00 0.00 C ATOM 0 H LEU A 16 -2.104 -8.669 -2.226 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.547 -11.181 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.261 -8.253 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.870 -8.973 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 16 0.589 -10.197 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.330 -8.643 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.851 -7.761 -4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.265 -7.741 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.983 -10.707 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.915 -9.804 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.969 -11.298 -2.391 1.00 0.00 H new ATOM 232 N GLY A 17 -1.785 -10.791 0.151 1.00 0.00 N ATOM 233 CA GLY A 17 -1.784 -11.152 1.594 1.00 0.00 C ATOM 234 C GLY A 17 -1.398 -9.911 2.390 1.00 0.00 C ATOM 235 O GLY A 17 -2.173 -9.401 3.163 1.00 0.00 O ATOM 0 H GLY A 17 -2.707 -10.637 -0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.768 -11.509 1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.079 -11.961 1.784 1.00 0.00 H new ATOM 239 N TYR A 18 -0.200 -9.431 2.178 1.00 0.00 N ATOM 240 CA TYR A 18 0.306 -8.209 2.870 1.00 0.00 C ATOM 241 C TYR A 18 1.742 -7.943 2.419 1.00 0.00 C ATOM 242 O TYR A 18 2.592 -8.809 2.486 1.00 0.00 O ATOM 243 CB TYR A 18 0.263 -8.522 4.363 1.00 0.00 C ATOM 244 CG TYR A 18 -1.062 -8.093 4.964 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.071 -7.540 4.159 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.279 -8.247 6.340 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.287 -7.146 4.728 1.00 0.00 C ATOM 248 CE2 TYR A 18 -2.494 -7.851 6.909 1.00 0.00 C ATOM 249 CZ TYR A 18 -3.498 -7.301 6.104 1.00 0.00 C ATOM 250 OH TYR A 18 -4.697 -6.910 6.666 1.00 0.00 O ATOM 0 H TYR A 18 0.469 -9.850 1.532 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.289 -7.325 2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.410 -9.591 4.520 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.081 -8.010 4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.908 -7.419 3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.506 -8.673 6.963 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.062 -6.723 4.107 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.657 -7.970 7.970 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.412 -6.991 6.001 1.00 0.00 H new ATOM 260 N GLN A 19 2.023 -6.760 1.954 1.00 0.00 N ATOM 261 CA GLN A 19 3.405 -6.455 1.494 1.00 0.00 C ATOM 262 C GLN A 19 4.428 -6.971 2.510 1.00 0.00 C ATOM 263 O GLN A 19 4.351 -6.683 3.688 1.00 0.00 O ATOM 264 CB GLN A 19 3.463 -4.927 1.376 1.00 0.00 C ATOM 265 CG GLN A 19 4.878 -4.426 1.658 1.00 0.00 C ATOM 266 CD GLN A 19 5.716 -4.533 0.386 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.343 -3.576 -0.025 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.757 -5.664 -0.256 1.00 0.00 N ATOM 0 H GLN A 19 1.357 -5.992 1.872 1.00 0.00 H new ATOM 0 HA GLN A 19 3.641 -6.936 0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.154 -4.621 0.377 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.763 -4.475 2.079 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.848 -3.392 2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.332 -5.014 2.456 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.230 -6.466 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.316 -5.748 -1.105 1.00 0.00 H new ATOM 277 N LYS A 20 5.391 -7.722 2.054 1.00 0.00 N ATOM 278 CA LYS A 20 6.433 -8.250 2.982 1.00 0.00 C ATOM 279 C LYS A 20 7.649 -7.325 2.961 1.00 0.00 C ATOM 280 O LYS A 20 8.243 -7.033 3.979 1.00 0.00 O ATOM 281 CB LYS A 20 6.797 -9.630 2.432 1.00 0.00 C ATOM 282 CG LYS A 20 5.781 -10.662 2.924 1.00 0.00 C ATOM 283 CD LYS A 20 5.132 -11.351 1.724 1.00 0.00 C ATOM 284 CE LYS A 20 3.713 -11.790 2.093 1.00 0.00 C ATOM 285 NZ LYS A 20 3.346 -12.805 1.068 1.00 0.00 N ATOM 0 H LYS A 20 5.503 -7.994 1.077 1.00 0.00 H new ATOM 0 HA LYS A 20 6.085 -8.309 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.809 -9.607 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.800 -9.909 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.274 -11.400 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.019 -10.176 3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.104 -10.671 0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.725 -12.215 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.679 -12.213 3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.022 -10.947 2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.384 -13.154 1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.381 -12.372 0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.017 -13.599 1.110 1.00 0.00 H new ATOM 299 N ARG A 21 8.013 -6.854 1.800 1.00 0.00 N ATOM 300 CA ARG A 21 9.180 -5.935 1.696 1.00 0.00 C ATOM 301 C ARG A 21 8.747 -4.513 2.037 1.00 0.00 C ATOM 302 O ARG A 21 7.585 -4.177 1.949 1.00 0.00 O ATOM 303 CB ARG A 21 9.626 -6.026 0.236 1.00 0.00 C ATOM 304 CG ARG A 21 9.947 -7.483 -0.106 1.00 0.00 C ATOM 305 CD ARG A 21 11.459 -7.649 -0.275 1.00 0.00 C ATOM 306 NE ARG A 21 11.623 -8.413 -1.543 1.00 0.00 N ATOM 307 CZ ARG A 21 11.112 -7.955 -2.654 1.00 0.00 C ATOM 308 NH1 ARG A 21 10.776 -6.696 -2.745 1.00 0.00 N ATOM 309 NH2 ARG A 21 10.937 -8.753 -3.671 1.00 0.00 N ATOM 0 H ARG A 21 7.550 -7.067 0.916 1.00 0.00 H new ATOM 0 HA ARG A 21 9.985 -6.200 2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.840 -5.651 -0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.503 -5.400 0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.585 -8.141 0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.434 -7.773 -1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.959 -6.682 -0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.894 -8.186 0.568 1.00 0.00 H new ATOM 0 HE ARG A 21 12.135 -9.295 -1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.913 -6.073 -1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.377 -6.336 -3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.199 -9.736 -3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.538 -8.394 -4.538 1.00 0.00 H new ATOM 323 N PRO A 22 9.704 -3.726 2.418 1.00 0.00 N ATOM 324 CA PRO A 22 9.427 -2.320 2.778 1.00 0.00 C ATOM 325 C PRO A 22 9.047 -1.514 1.543 1.00 0.00 C ATOM 326 O PRO A 22 9.627 -1.651 0.485 1.00 0.00 O ATOM 327 CB PRO A 22 10.737 -1.837 3.376 1.00 0.00 C ATOM 328 CG PRO A 22 11.782 -2.742 2.799 1.00 0.00 C ATOM 329 CD PRO A 22 11.121 -4.067 2.546 1.00 0.00 C ATOM 0 HA PRO A 22 8.591 -2.211 3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.929 -0.796 3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.720 -1.897 4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.183 -2.328 1.874 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.619 -2.854 3.488 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.503 -4.539 1.641 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.293 -4.764 3.366 1.00 0.00 H new ATOM 337 N LEU A 23 8.062 -0.680 1.677 1.00 0.00 N ATOM 338 CA LEU A 23 7.612 0.141 0.524 1.00 0.00 C ATOM 339 C LEU A 23 7.474 1.613 0.916 1.00 0.00 C ATOM 340 O LEU A 23 6.854 1.940 1.907 1.00 0.00 O ATOM 341 CB LEU A 23 6.258 -0.435 0.144 1.00 0.00 C ATOM 342 CG LEU A 23 6.407 -1.204 -1.158 1.00 0.00 C ATOM 343 CD1 LEU A 23 5.091 -1.907 -1.498 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.771 -0.223 -2.275 1.00 0.00 C ATOM 0 H LEU A 23 7.544 -0.529 2.543 1.00 0.00 H new ATOM 0 HA LEU A 23 8.326 0.109 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.892 -1.093 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.525 0.364 0.030 1.00 0.00 H new ATOM 0 HG LEU A 23 7.192 -1.953 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.203 -2.457 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.831 -2.600 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.300 -1.165 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.880 -0.765 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.982 0.522 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.710 0.274 -2.031 1.00 0.00 H new ATOM 356 N PRO A 24 8.057 2.450 0.107 1.00 0.00 N ATOM 357 CA PRO A 24 8.008 3.903 0.342 1.00 0.00 C ATOM 358 C PRO A 24 6.753 4.502 -0.301 1.00 0.00 C ATOM 359 O PRO A 24 6.058 3.854 -1.059 1.00 0.00 O ATOM 360 CB PRO A 24 9.263 4.411 -0.357 1.00 0.00 C ATOM 361 CG PRO A 24 9.580 3.392 -1.415 1.00 0.00 C ATOM 362 CD PRO A 24 8.822 2.123 -1.094 1.00 0.00 C ATOM 0 HA PRO A 24 7.970 4.170 1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.095 5.394 -0.798 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.089 4.514 0.347 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.296 3.765 -2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.652 3.197 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.167 1.833 -1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.501 1.289 -0.918 1.00 0.00 H new ATOM 370 N GLN A 25 6.464 5.735 -0.002 1.00 0.00 N ATOM 371 CA GLN A 25 5.263 6.392 -0.586 1.00 0.00 C ATOM 372 C GLN A 25 5.646 7.181 -1.842 1.00 0.00 C ATOM 373 O GLN A 25 4.869 7.307 -2.767 1.00 0.00 O ATOM 374 CB GLN A 25 4.770 7.337 0.507 1.00 0.00 C ATOM 375 CG GLN A 25 3.879 8.420 -0.108 1.00 0.00 C ATOM 376 CD GLN A 25 4.749 9.583 -0.588 1.00 0.00 C ATOM 377 OE1 GLN A 25 5.762 9.887 0.011 1.00 0.00 O ATOM 378 NE2 GLN A 25 4.395 10.251 -1.651 1.00 0.00 N ATOM 0 H GLN A 25 7.012 6.321 0.627 1.00 0.00 H new ATOM 0 HA GLN A 25 4.501 5.673 -0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.213 6.779 1.259 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.619 7.796 1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.311 8.008 -0.942 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.156 8.772 0.628 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.545 9.996 -2.154 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.968 11.028 -1.979 1.00 0.00 H new ATOM 387 N VAL A 26 6.837 7.714 -1.878 1.00 0.00 N ATOM 388 CA VAL A 26 7.269 8.493 -3.067 1.00 0.00 C ATOM 389 C VAL A 26 7.270 7.601 -4.311 1.00 0.00 C ATOM 390 O VAL A 26 7.354 8.074 -5.427 1.00 0.00 O ATOM 391 CB VAL A 26 8.679 8.960 -2.720 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.511 9.086 -3.993 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.606 10.322 -2.024 1.00 0.00 C ATOM 0 H VAL A 26 7.529 7.642 -1.132 1.00 0.00 H new ATOM 0 HA VAL A 26 6.607 9.329 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 26 9.146 8.232 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.517 9.420 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.565 8.117 -4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.046 9.811 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.613 10.658 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.136 11.046 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.017 10.233 -1.111 1.00 0.00 H new ATOM 403 N LEU A 27 7.173 6.313 -4.127 1.00 0.00 N ATOM 404 CA LEU A 27 7.163 5.393 -5.301 1.00 0.00 C ATOM 405 C LEU A 27 5.730 4.961 -5.619 1.00 0.00 C ATOM 406 O LEU A 27 5.435 4.515 -6.709 1.00 0.00 O ATOM 407 CB LEU A 27 8.005 4.190 -4.871 1.00 0.00 C ATOM 408 CG LEU A 27 9.319 4.180 -5.654 1.00 0.00 C ATOM 409 CD1 LEU A 27 9.035 3.873 -7.126 1.00 0.00 C ATOM 410 CD2 LEU A 27 9.989 5.551 -5.542 1.00 0.00 C ATOM 0 H LEU A 27 7.100 5.858 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 27 7.560 5.865 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.207 4.238 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.456 3.266 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 27 9.979 3.416 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.972 3.866 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.556 2.897 -7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.374 4.637 -7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.926 5.545 -6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.327 6.314 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.192 5.772 -4.494 1.00 0.00 H new ATOM 422 N LEU A 28 4.834 5.088 -4.675 1.00 0.00 N ATOM 423 CA LEU A 28 3.428 4.683 -4.931 1.00 0.00 C ATOM 424 C LEU A 28 2.574 5.904 -5.272 1.00 0.00 C ATOM 425 O LEU A 28 2.895 7.018 -4.908 1.00 0.00 O ATOM 426 CB LEU A 28 2.938 4.060 -3.626 1.00 0.00 C ATOM 427 CG LEU A 28 4.068 3.284 -2.948 1.00 0.00 C ATOM 428 CD1 LEU A 28 3.633 2.885 -1.539 1.00 0.00 C ATOM 429 CD2 LEU A 28 4.372 2.021 -3.754 1.00 0.00 C ATOM 0 H LEU A 28 5.018 5.454 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 28 3.358 3.991 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.572 4.840 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.100 3.393 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 28 4.959 3.910 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.437 2.332 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.408 3.781 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.744 2.257 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.177 1.467 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.480 1.397 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.676 2.298 -4.764 1.00 0.00 H new ATOM 441 N SER A 29 1.483 5.707 -5.962 1.00 0.00 N ATOM 442 CA SER A 29 0.615 6.866 -6.309 1.00 0.00 C ATOM 443 C SER A 29 -0.432 7.093 -5.218 1.00 0.00 C ATOM 444 O SER A 29 -0.413 8.088 -4.518 1.00 0.00 O ATOM 445 CB SER A 29 -0.065 6.486 -7.623 1.00 0.00 C ATOM 446 OG SER A 29 -0.949 7.529 -8.013 1.00 0.00 O ATOM 0 H SER A 29 1.158 4.800 -6.298 1.00 0.00 H new ATOM 0 HA SER A 29 1.189 7.788 -6.400 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.683 6.319 -8.398 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.615 5.553 -7.504 1.00 0.00 H new ATOM 0 HG SER A 29 -1.386 7.289 -8.857 1.00 0.00 H new ATOM 452 N SER A 30 -1.348 6.180 -5.076 1.00 0.00 N ATOM 453 CA SER A 30 -2.408 6.333 -4.036 1.00 0.00 C ATOM 454 C SER A 30 -2.772 4.967 -3.449 1.00 0.00 C ATOM 455 O SER A 30 -2.014 4.024 -3.536 1.00 0.00 O ATOM 456 CB SER A 30 -3.603 6.934 -4.775 1.00 0.00 C ATOM 457 OG SER A 30 -3.898 6.137 -5.914 1.00 0.00 O ATOM 0 H SER A 30 -1.411 5.330 -5.636 1.00 0.00 H new ATOM 0 HA SER A 30 -2.085 6.960 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.469 6.980 -4.114 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.380 7.957 -5.080 1.00 0.00 H new ATOM 0 HG SER A 30 -4.751 5.674 -5.777 1.00 0.00 H new ATOM 463 N TRP A 31 -3.926 4.855 -2.850 1.00 0.00 N ATOM 464 CA TRP A 31 -4.335 3.547 -2.260 1.00 0.00 C ATOM 465 C TRP A 31 -5.840 3.526 -2.007 1.00 0.00 C ATOM 466 O TRP A 31 -6.491 4.551 -1.966 1.00 0.00 O ATOM 467 CB TRP A 31 -3.598 3.459 -0.927 1.00 0.00 C ATOM 468 CG TRP A 31 -4.119 4.516 -0.014 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.881 5.833 -0.160 1.00 0.00 C ATOM 470 CD2 TRP A 31 -4.961 4.378 1.167 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.509 6.520 0.863 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.192 5.665 1.706 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.538 3.272 1.819 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -5.968 5.850 2.850 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.322 3.456 2.971 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.536 4.742 3.485 1.00 0.00 C ATOM 0 H TRP A 31 -4.603 5.611 -2.743 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.099 2.716 -2.925 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.740 2.474 -0.482 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.527 3.588 -1.080 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.294 6.281 -0.949 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.472 7.533 0.980 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.377 2.277 1.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.129 6.843 3.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.762 2.601 3.463 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.139 4.877 4.371 1.00 0.00 H new ATOM 487 N TYR A 32 -6.390 2.365 -1.807 1.00 0.00 N ATOM 488 CA TYR A 32 -7.848 2.275 -1.520 1.00 0.00 C ATOM 489 C TYR A 32 -8.133 1.036 -0.670 1.00 0.00 C ATOM 490 O TYR A 32 -7.590 -0.026 -0.905 1.00 0.00 O ATOM 491 CB TYR A 32 -8.547 2.231 -2.887 1.00 0.00 C ATOM 492 CG TYR A 32 -8.505 0.844 -3.479 1.00 0.00 C ATOM 493 CD1 TYR A 32 -9.189 -0.205 -2.860 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.799 0.616 -4.666 1.00 0.00 C ATOM 495 CE1 TYR A 32 -9.163 -1.486 -3.421 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.775 -0.663 -5.231 1.00 0.00 C ATOM 497 CZ TYR A 32 -8.456 -1.716 -4.608 1.00 0.00 C ATOM 498 OH TYR A 32 -8.433 -2.979 -5.165 1.00 0.00 O ATOM 0 H TYR A 32 -5.895 1.474 -1.829 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.217 3.124 -0.945 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.583 2.551 -2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.066 2.934 -3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.738 -0.027 -1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.273 1.428 -5.146 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.688 -2.298 -2.939 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.231 -0.839 -6.148 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.899 -2.965 -5.986 1.00 0.00 H new ATOM 508 N PRO A 33 -8.962 1.234 0.320 1.00 0.00 N ATOM 509 CA PRO A 33 -9.321 0.144 1.262 1.00 0.00 C ATOM 510 C PRO A 33 -10.163 -0.929 0.567 1.00 0.00 C ATOM 511 O PRO A 33 -10.840 -0.668 -0.407 1.00 0.00 O ATOM 512 CB PRO A 33 -10.125 0.860 2.343 1.00 0.00 C ATOM 513 CG PRO A 33 -10.665 2.071 1.668 1.00 0.00 C ATOM 514 CD PRO A 33 -9.641 2.488 0.650 1.00 0.00 C ATOM 0 HA PRO A 33 -8.451 -0.380 1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.927 0.228 2.725 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.497 1.127 3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.620 1.855 1.190 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.843 2.869 2.388 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.106 2.936 -0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.948 3.226 1.055 1.00 0.00 H new ATOM 522 N THR A 34 -10.125 -2.137 1.061 1.00 0.00 N ATOM 523 CA THR A 34 -10.919 -3.229 0.425 1.00 0.00 C ATOM 524 C THR A 34 -12.086 -3.631 1.333 1.00 0.00 C ATOM 525 O THR A 34 -12.420 -2.938 2.273 1.00 0.00 O ATOM 526 CB THR A 34 -9.945 -4.403 0.255 1.00 0.00 C ATOM 527 OG1 THR A 34 -10.191 -5.367 1.267 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.497 -3.913 0.360 1.00 0.00 C ATOM 0 H THR A 34 -9.579 -2.415 1.877 1.00 0.00 H new ATOM 0 HA THR A 34 -11.345 -2.918 -0.529 1.00 0.00 H new ATOM 0 HB THR A 34 -10.096 -4.849 -0.728 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.589 -6.168 0.866 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.818 -4.757 0.238 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.305 -3.176 -0.420 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.337 -3.457 1.337 1.00 0.00 H new ATOM 536 N SER A 35 -12.710 -4.745 1.057 1.00 0.00 N ATOM 537 CA SER A 35 -13.856 -5.185 1.904 1.00 0.00 C ATOM 538 C SER A 35 -13.630 -6.612 2.410 1.00 0.00 C ATOM 539 O SER A 35 -12.770 -7.323 1.928 1.00 0.00 O ATOM 540 CB SER A 35 -15.073 -5.134 0.980 1.00 0.00 C ATOM 541 OG SER A 35 -16.233 -4.844 1.748 1.00 0.00 O ATOM 0 H SER A 35 -12.476 -5.368 0.284 1.00 0.00 H new ATOM 0 HA SER A 35 -13.981 -4.554 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.930 -4.372 0.213 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.193 -6.087 0.464 1.00 0.00 H new ATOM 0 HG SER A 35 -17.015 -4.809 1.159 1.00 0.00 H new ATOM 547 N GLN A 36 -14.398 -7.036 3.375 1.00 0.00 N ATOM 548 CA GLN A 36 -14.231 -8.417 3.912 1.00 0.00 C ATOM 549 C GLN A 36 -14.734 -9.444 2.896 1.00 0.00 C ATOM 550 O GLN A 36 -14.530 -10.633 3.045 1.00 0.00 O ATOM 551 CB GLN A 36 -15.087 -8.453 5.179 1.00 0.00 C ATOM 552 CG GLN A 36 -14.993 -9.840 5.820 1.00 0.00 C ATOM 553 CD GLN A 36 -14.651 -9.695 7.304 1.00 0.00 C ATOM 554 OE1 GLN A 36 -15.493 -9.899 8.156 1.00 0.00 O ATOM 555 NE2 GLN A 36 -13.441 -9.349 7.652 1.00 0.00 N ATOM 0 H GLN A 36 -15.135 -6.486 3.816 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.188 -8.658 4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -14.747 -7.692 5.882 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.124 -8.222 4.936 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.938 -10.371 5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -14.230 -10.434 5.317 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.734 -9.178 6.937 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.203 -9.250 8.639 1.00 0.00 H new ATOM 564 N LEU A 37 -15.394 -8.995 1.863 1.00 0.00 N ATOM 565 CA LEU A 37 -15.914 -9.945 0.838 1.00 0.00 C ATOM 566 C LEU A 37 -14.864 -11.011 0.520 1.00 0.00 C ATOM 567 O LEU A 37 -15.163 -12.185 0.434 1.00 0.00 O ATOM 568 CB LEU A 37 -16.194 -9.085 -0.395 1.00 0.00 C ATOM 569 CG LEU A 37 -17.308 -9.729 -1.223 1.00 0.00 C ATOM 570 CD1 LEU A 37 -18.641 -9.583 -0.487 1.00 0.00 C ATOM 571 CD2 LEU A 37 -17.398 -9.032 -2.583 1.00 0.00 C ATOM 0 H LEU A 37 -15.596 -8.011 1.684 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.805 -10.471 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.486 -8.080 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.290 -8.986 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.088 -10.787 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -19.434 -10.042 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -18.577 -10.077 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.862 -8.526 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -18.191 -9.489 -3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.619 -7.975 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.448 -9.135 -3.108 1.00 0.00 H new ATOM 583 N CYS A 38 -13.639 -10.610 0.345 1.00 0.00 N ATOM 584 CA CYS A 38 -12.568 -11.600 0.029 1.00 0.00 C ATOM 585 C CYS A 38 -12.164 -12.364 1.294 1.00 0.00 C ATOM 586 O CYS A 38 -12.900 -12.416 2.260 1.00 0.00 O ATOM 587 CB CYS A 38 -11.400 -10.767 -0.500 1.00 0.00 C ATOM 588 SG CYS A 38 -11.552 -10.596 -2.296 1.00 0.00 S ATOM 0 H CYS A 38 -13.329 -9.640 0.406 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.893 -12.345 -0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -11.396 -9.784 -0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.454 -11.245 -0.247 1.00 0.00 H new ATOM 593 N SER A 39 -11.006 -12.968 1.293 1.00 0.00 N ATOM 594 CA SER A 39 -10.566 -13.736 2.494 1.00 0.00 C ATOM 595 C SER A 39 -9.606 -12.902 3.348 1.00 0.00 C ATOM 596 O SER A 39 -9.405 -13.175 4.513 1.00 0.00 O ATOM 597 CB SER A 39 -9.853 -14.966 1.935 1.00 0.00 C ATOM 598 OG SER A 39 -9.099 -15.582 2.972 1.00 0.00 O ATOM 0 H SER A 39 -10.347 -12.963 0.515 1.00 0.00 H new ATOM 0 HA SER A 39 -11.404 -14.003 3.138 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.580 -15.670 1.531 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.197 -14.679 1.114 1.00 0.00 H new ATOM 0 HG SER A 39 -8.641 -16.373 2.618 1.00 0.00 H new ATOM 604 N LYS A 40 -9.008 -11.888 2.781 1.00 0.00 N ATOM 605 CA LYS A 40 -8.064 -11.050 3.575 1.00 0.00 C ATOM 606 C LYS A 40 -8.148 -9.585 3.143 1.00 0.00 C ATOM 607 O LYS A 40 -7.398 -9.139 2.298 1.00 0.00 O ATOM 608 CB LYS A 40 -6.676 -11.620 3.273 1.00 0.00 C ATOM 609 CG LYS A 40 -6.031 -12.108 4.572 1.00 0.00 C ATOM 610 CD LYS A 40 -5.847 -10.926 5.527 1.00 0.00 C ATOM 611 CE LYS A 40 -5.049 -11.379 6.753 1.00 0.00 C ATOM 612 NZ LYS A 40 -4.249 -10.188 7.150 1.00 0.00 N ATOM 0 H LYS A 40 -9.131 -11.605 1.809 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.294 -11.075 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.756 -12.443 2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.051 -10.857 2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.656 -12.871 5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.067 -12.571 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.326 -10.113 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.818 -10.539 5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.710 -11.698 7.559 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.405 -12.226 6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.268 -10.476 7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.263 -9.488 6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.657 -9.766 8.009 1.00 0.00 H new ATOM 626 N PRO A 41 -9.061 -8.885 3.756 1.00 0.00 N ATOM 627 CA PRO A 41 -9.257 -7.446 3.453 1.00 0.00 C ATOM 628 C PRO A 41 -8.093 -6.622 4.013 1.00 0.00 C ATOM 629 O PRO A 41 -7.208 -7.146 4.661 1.00 0.00 O ATOM 630 CB PRO A 41 -10.556 -7.104 4.171 1.00 0.00 C ATOM 631 CG PRO A 41 -10.656 -8.109 5.269 1.00 0.00 C ATOM 632 CD PRO A 41 -9.991 -9.364 4.778 1.00 0.00 C ATOM 0 HA PRO A 41 -9.297 -7.233 2.385 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.535 -6.088 4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.410 -7.167 3.497 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.169 -7.743 6.173 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.699 -8.299 5.524 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.470 -9.882 5.583 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.715 -10.065 4.364 1.00 0.00 H new ATOM 640 N GLY A 42 -8.086 -5.338 3.776 1.00 0.00 N ATOM 641 CA GLY A 42 -6.978 -4.494 4.307 1.00 0.00 C ATOM 642 C GLY A 42 -6.795 -3.258 3.428 1.00 0.00 C ATOM 643 O GLY A 42 -7.748 -2.681 2.945 1.00 0.00 O ATOM 0 H GLY A 42 -8.796 -4.839 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.198 -4.193 5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.053 -5.070 4.336 1.00 0.00 H new ATOM 647 N VAL A 43 -5.575 -2.842 3.219 1.00 0.00 N ATOM 648 CA VAL A 43 -5.335 -1.642 2.370 1.00 0.00 C ATOM 649 C VAL A 43 -4.450 -2.002 1.182 1.00 0.00 C ATOM 650 O VAL A 43 -3.389 -2.576 1.331 1.00 0.00 O ATOM 651 CB VAL A 43 -4.632 -0.631 3.281 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.682 0.239 2.455 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.674 0.272 3.935 1.00 0.00 C ATOM 0 H VAL A 43 -4.736 -3.281 3.599 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.262 -1.239 1.963 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.070 -1.171 4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.185 0.956 3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.935 -0.393 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.249 0.774 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.176 0.992 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.231 0.803 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.361 -0.334 4.526 1.00 0.00 H new ATOM 663 N ILE A 44 -4.870 -1.650 0.003 1.00 0.00 N ATOM 664 CA ILE A 44 -4.049 -1.949 -1.197 1.00 0.00 C ATOM 665 C ILE A 44 -3.485 -0.640 -1.743 1.00 0.00 C ATOM 666 O ILE A 44 -4.160 0.370 -1.766 1.00 0.00 O ATOM 667 CB ILE A 44 -5.016 -2.587 -2.193 1.00 0.00 C ATOM 668 CG1 ILE A 44 -5.907 -1.502 -2.793 1.00 0.00 C ATOM 669 CG2 ILE A 44 -5.885 -3.622 -1.479 1.00 0.00 C ATOM 670 CD1 ILE A 44 -5.310 -1.037 -4.119 1.00 0.00 C ATOM 0 H ILE A 44 -5.749 -1.167 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.208 -2.610 -0.990 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.450 -3.079 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.914 -1.888 -2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.991 -0.662 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.573 -4.074 -2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.249 -4.395 -1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.453 -3.135 -0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.943 -0.262 -4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.311 -0.636 -3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.249 -1.881 -4.806 1.00 0.00 H new ATOM 682 N PHE A 45 -2.254 -0.631 -2.162 1.00 0.00 N ATOM 683 CA PHE A 45 -1.669 0.632 -2.675 1.00 0.00 C ATOM 684 C PHE A 45 -1.466 0.563 -4.188 1.00 0.00 C ATOM 685 O PHE A 45 -1.155 -0.472 -4.741 1.00 0.00 O ATOM 686 CB PHE A 45 -0.316 0.742 -1.973 1.00 0.00 C ATOM 687 CG PHE A 45 -0.521 1.018 -0.504 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.786 2.321 -0.068 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.445 -0.030 0.423 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.977 2.576 1.295 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.636 0.226 1.784 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.901 1.527 2.219 1.00 0.00 C ATOM 0 H PHE A 45 -1.631 -1.439 -2.171 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.316 1.488 -2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.247 -0.182 -2.103 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.273 1.541 -2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.843 3.129 -0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.239 -1.035 0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.183 3.581 1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.579 -0.582 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.048 1.724 3.271 1.00 0.00 H new ATOM 702 N LEU A 46 -1.622 1.669 -4.857 1.00 0.00 N ATOM 703 CA LEU A 46 -1.418 1.687 -6.330 1.00 0.00 C ATOM 704 C LEU A 46 -0.141 2.459 -6.642 1.00 0.00 C ATOM 705 O LEU A 46 0.015 3.603 -6.259 1.00 0.00 O ATOM 706 CB LEU A 46 -2.641 2.407 -6.900 1.00 0.00 C ATOM 707 CG LEU A 46 -3.602 1.392 -7.529 1.00 0.00 C ATOM 708 CD1 LEU A 46 -3.535 0.069 -6.764 1.00 0.00 C ATOM 709 CD2 LEU A 46 -5.029 1.940 -7.468 1.00 0.00 C ATOM 0 H LEU A 46 -1.883 2.565 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.315 0.689 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.149 2.959 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.328 3.136 -7.648 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.316 1.222 -8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.220 -0.648 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.519 -0.324 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.818 0.235 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.715 1.220 -7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.309 2.111 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.082 2.880 -8.017 1.00 0.00 H new ATOM 721 N THR A 47 0.781 1.842 -7.321 1.00 0.00 N ATOM 722 CA THR A 47 2.057 2.542 -7.636 1.00 0.00 C ATOM 723 C THR A 47 1.792 3.757 -8.520 1.00 0.00 C ATOM 724 O THR A 47 0.703 4.291 -8.545 1.00 0.00 O ATOM 725 CB THR A 47 2.916 1.514 -8.378 1.00 0.00 C ATOM 726 OG1 THR A 47 2.474 1.409 -9.728 1.00 0.00 O ATOM 727 CG2 THR A 47 2.798 0.152 -7.690 1.00 0.00 C ATOM 0 H THR A 47 0.709 0.887 -7.671 1.00 0.00 H new ATOM 0 HA THR A 47 2.553 2.906 -6.736 1.00 0.00 H new ATOM 0 HB THR A 47 3.958 1.835 -8.363 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.228 1.156 -10.300 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.410 -0.578 -8.220 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.142 0.234 -6.659 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.757 -0.172 -7.700 1.00 0.00 H new ATOM 735 N LYS A 48 2.783 4.188 -9.246 1.00 0.00 N ATOM 736 CA LYS A 48 2.605 5.360 -10.145 1.00 0.00 C ATOM 737 C LYS A 48 2.699 4.887 -11.596 1.00 0.00 C ATOM 738 O LYS A 48 2.667 5.669 -12.526 1.00 0.00 O ATOM 739 CB LYS A 48 3.766 6.297 -9.809 1.00 0.00 C ATOM 740 CG LYS A 48 3.404 7.148 -8.590 1.00 0.00 C ATOM 741 CD LYS A 48 3.415 8.627 -8.979 1.00 0.00 C ATOM 742 CE LYS A 48 2.459 9.401 -8.067 1.00 0.00 C ATOM 743 NZ LYS A 48 2.744 10.837 -8.344 1.00 0.00 N ATOM 0 H LYS A 48 3.716 3.776 -9.255 1.00 0.00 H new ATOM 0 HA LYS A 48 1.643 5.856 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.667 5.718 -9.606 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.986 6.940 -10.661 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.420 6.867 -8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.115 6.968 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.424 9.030 -8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.115 8.743 -10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.420 9.155 -8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.631 9.159 -7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.127 11.433 -7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.739 11.043 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.565 11.039 -9.348 1.00 0.00 H new ATOM 757 N ARG A 49 2.822 3.601 -11.783 1.00 0.00 N ATOM 758 CA ARG A 49 2.929 3.040 -13.157 1.00 0.00 C ATOM 759 C ARG A 49 1.692 2.204 -13.490 1.00 0.00 C ATOM 760 O ARG A 49 1.344 2.022 -14.640 1.00 0.00 O ATOM 761 CB ARG A 49 4.174 2.154 -13.107 1.00 0.00 C ATOM 762 CG ARG A 49 5.403 2.973 -13.502 1.00 0.00 C ATOM 763 CD ARG A 49 5.513 3.027 -15.028 1.00 0.00 C ATOM 764 NE ARG A 49 5.651 1.606 -15.453 1.00 0.00 N ATOM 765 CZ ARG A 49 4.842 1.111 -16.349 1.00 0.00 C ATOM 766 NH1 ARG A 49 4.859 1.573 -17.570 1.00 0.00 N ATOM 767 NH2 ARG A 49 4.015 0.155 -16.025 1.00 0.00 N ATOM 0 H ARG A 49 2.853 2.910 -11.034 1.00 0.00 H new ATOM 0 HA ARG A 49 2.998 3.815 -13.921 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.303 1.747 -12.104 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.057 1.307 -13.782 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.326 3.982 -13.097 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.302 2.526 -13.078 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.631 3.488 -15.472 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.373 3.618 -15.341 1.00 0.00 H new ATOM 0 HE ARG A 49 6.378 1.020 -15.043 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.505 2.321 -17.823 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.227 1.186 -18.271 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.001 -0.206 -15.071 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.383 -0.232 -16.726 1.00 0.00 H new ATOM 781 N GLY A 50 1.026 1.691 -12.493 1.00 0.00 N ATOM 782 CA GLY A 50 -0.185 0.867 -12.752 1.00 0.00 C ATOM 783 C GLY A 50 -0.098 -0.443 -11.963 1.00 0.00 C ATOM 784 O GLY A 50 -0.899 -1.338 -12.143 1.00 0.00 O ATOM 0 H GLY A 50 1.269 1.808 -11.509 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.080 1.418 -12.463 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.271 0.656 -13.818 1.00 0.00 H new ATOM 788 N ARG A 51 0.862 -0.561 -11.086 1.00 0.00 N ATOM 789 CA ARG A 51 0.990 -1.812 -10.286 1.00 0.00 C ATOM 790 C ARG A 51 0.198 -1.674 -8.984 1.00 0.00 C ATOM 791 O ARG A 51 0.035 -0.589 -8.461 1.00 0.00 O ATOM 792 CB ARG A 51 2.486 -1.948 -9.995 1.00 0.00 C ATOM 793 CG ARG A 51 3.070 -3.089 -10.830 1.00 0.00 C ATOM 794 CD ARG A 51 4.490 -2.726 -11.270 1.00 0.00 C ATOM 795 NE ARG A 51 4.958 -3.895 -12.066 1.00 0.00 N ATOM 796 CZ ARG A 51 6.222 -4.215 -12.073 1.00 0.00 C ATOM 797 NH1 ARG A 51 6.747 -4.825 -11.044 1.00 0.00 N ATOM 798 NH2 ARG A 51 6.963 -3.927 -13.107 1.00 0.00 N ATOM 0 H ARG A 51 1.562 0.154 -10.889 1.00 0.00 H new ATOM 0 HA ARG A 51 0.601 -2.685 -10.810 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.998 -1.014 -10.228 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.644 -2.142 -8.934 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.083 -4.010 -10.247 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.443 -3.273 -11.703 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.497 -1.814 -11.867 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.137 -2.550 -10.410 1.00 0.00 H new ATOM 0 HE ARG A 51 4.290 -4.445 -12.606 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.168 -5.051 -10.235 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.736 -5.075 -11.049 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.554 -3.451 -13.911 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.952 -4.178 -13.112 1.00 0.00 H new ATOM 812 N GLN A 52 -0.307 -2.757 -8.459 1.00 0.00 N ATOM 813 CA GLN A 52 -1.094 -2.670 -7.203 1.00 0.00 C ATOM 814 C GLN A 52 -0.318 -3.292 -6.040 1.00 0.00 C ATOM 815 O GLN A 52 0.557 -4.113 -6.226 1.00 0.00 O ATOM 816 CB GLN A 52 -2.364 -3.473 -7.475 1.00 0.00 C ATOM 817 CG GLN A 52 -2.838 -3.250 -8.916 1.00 0.00 C ATOM 818 CD GLN A 52 -3.734 -2.011 -8.973 1.00 0.00 C ATOM 819 OE1 GLN A 52 -3.266 -0.920 -9.232 1.00 0.00 O ATOM 820 NE2 GLN A 52 -5.011 -2.135 -8.738 1.00 0.00 N ATOM 0 H GLN A 52 -0.207 -3.695 -8.847 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.308 -1.637 -6.928 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.175 -4.533 -7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.147 -3.175 -6.778 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.980 -3.122 -9.576 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.385 -4.124 -9.269 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.403 -3.051 -8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.618 -1.316 -8.772 1.00 0.00 H new ATOM 829 N VAL A 53 -0.643 -2.903 -4.839 1.00 0.00 N ATOM 830 CA VAL A 53 0.056 -3.457 -3.649 1.00 0.00 C ATOM 831 C VAL A 53 -0.960 -3.736 -2.536 1.00 0.00 C ATOM 832 O VAL A 53 -2.034 -3.170 -2.512 1.00 0.00 O ATOM 833 CB VAL A 53 1.036 -2.359 -3.233 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.241 -2.406 -1.722 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.379 -2.581 -3.933 1.00 0.00 C ATOM 0 H VAL A 53 -1.370 -2.219 -4.630 1.00 0.00 H new ATOM 0 HA VAL A 53 0.566 -4.398 -3.854 1.00 0.00 H new ATOM 0 HB VAL A 53 0.633 -1.387 -3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.939 -1.624 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.286 -2.250 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.644 -3.379 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.078 -1.798 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.781 -3.553 -3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.236 -2.550 -5.013 1.00 0.00 H new ATOM 845 N CYS A 54 -0.634 -4.604 -1.619 1.00 0.00 N ATOM 846 CA CYS A 54 -1.586 -4.914 -0.516 1.00 0.00 C ATOM 847 C CYS A 54 -0.838 -5.020 0.813 1.00 0.00 C ATOM 848 O CYS A 54 0.044 -5.839 0.970 1.00 0.00 O ATOM 849 CB CYS A 54 -2.179 -6.267 -0.893 1.00 0.00 C ATOM 850 SG CYS A 54 -3.905 -6.338 -0.361 1.00 0.00 S ATOM 0 H CYS A 54 0.250 -5.112 -1.586 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.347 -4.143 -0.394 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.113 -6.417 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.609 -7.069 -0.424 1.00 0.00 H new ATOM 855 N ALA A 55 -1.177 -4.205 1.774 1.00 0.00 N ATOM 856 CA ALA A 55 -0.470 -4.281 3.081 1.00 0.00 C ATOM 857 C ALA A 55 -1.438 -3.996 4.231 1.00 0.00 C ATOM 858 O ALA A 55 -2.528 -3.495 4.033 1.00 0.00 O ATOM 859 CB ALA A 55 0.611 -3.206 3.003 1.00 0.00 C ATOM 0 H ALA A 55 -1.907 -3.496 1.711 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.050 -5.270 3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.181 -3.195 3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.279 -3.422 2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.145 -2.232 2.852 1.00 0.00 H new ATOM 865 N ASP A 56 -1.047 -4.321 5.432 1.00 0.00 N ATOM 866 CA ASP A 56 -1.938 -4.077 6.600 1.00 0.00 C ATOM 867 C ASP A 56 -1.809 -2.629 7.076 1.00 0.00 C ATOM 868 O ASP A 56 -0.751 -2.190 7.481 1.00 0.00 O ATOM 869 CB ASP A 56 -1.442 -5.039 7.678 1.00 0.00 C ATOM 870 CG ASP A 56 -2.542 -5.251 8.720 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.488 -4.481 8.718 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.419 -6.178 9.504 1.00 0.00 O ATOM 0 H ASP A 56 -0.147 -4.746 5.655 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.989 -4.237 6.357 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.163 -5.992 7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.548 -4.638 8.155 1.00 0.00 H new ATOM 877 N LYS A 57 -2.880 -1.887 7.035 1.00 0.00 N ATOM 878 CA LYS A 57 -2.820 -0.468 7.490 1.00 0.00 C ATOM 879 C LYS A 57 -2.188 -0.385 8.882 1.00 0.00 C ATOM 880 O LYS A 57 -1.724 0.656 9.302 1.00 0.00 O ATOM 881 CB LYS A 57 -4.275 0.005 7.532 1.00 0.00 C ATOM 882 CG LYS A 57 -5.167 -1.114 8.073 1.00 0.00 C ATOM 883 CD LYS A 57 -5.962 -1.733 6.922 1.00 0.00 C ATOM 884 CE LYS A 57 -7.410 -1.244 6.981 1.00 0.00 C ATOM 885 NZ LYS A 57 -8.204 -2.443 7.369 1.00 0.00 N ATOM 0 H LYS A 57 -3.794 -2.200 6.707 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.213 0.149 6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.362 0.889 8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.603 0.293 6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.558 -1.876 8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.847 -0.719 8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.513 -1.459 5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.931 -2.821 6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.526 -0.441 7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.734 -0.851 6.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.042 -2.145 7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.505 -2.952 6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.620 -3.071 7.958 1.00 0.00 H new ATOM 899 N SER A 58 -2.167 -1.474 9.602 1.00 0.00 N ATOM 900 CA SER A 58 -1.565 -1.452 10.967 1.00 0.00 C ATOM 901 C SER A 58 -0.037 -1.451 10.874 1.00 0.00 C ATOM 902 O SER A 58 0.655 -1.488 11.871 1.00 0.00 O ATOM 903 CB SER A 58 -2.061 -2.730 11.642 1.00 0.00 C ATOM 904 OG SER A 58 -1.148 -3.786 11.375 1.00 0.00 O ATOM 0 H SER A 58 -2.540 -2.376 9.305 1.00 0.00 H new ATOM 0 HA SER A 58 -1.848 -0.561 11.527 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.152 -2.575 12.717 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.053 -2.989 11.272 1.00 0.00 H new ATOM 0 HG SER A 58 -1.462 -4.607 11.808 1.00 0.00 H new ATOM 910 N LYS A 59 0.493 -1.403 9.683 1.00 0.00 N ATOM 911 CA LYS A 59 1.976 -1.394 9.528 1.00 0.00 C ATOM 912 C LYS A 59 2.501 0.038 9.593 1.00 0.00 C ATOM 913 O LYS A 59 2.141 0.880 8.798 1.00 0.00 O ATOM 914 CB LYS A 59 2.233 -1.998 8.151 1.00 0.00 C ATOM 915 CG LYS A 59 2.569 -3.483 8.296 1.00 0.00 C ATOM 916 CD LYS A 59 3.969 -3.635 8.894 1.00 0.00 C ATOM 917 CE LYS A 59 3.856 -4.015 10.372 1.00 0.00 C ATOM 918 NZ LYS A 59 4.853 -5.106 10.565 1.00 0.00 N ATOM 0 H LYS A 59 -0.035 -1.370 8.811 1.00 0.00 H new ATOM 0 HA LYS A 59 2.479 -1.953 10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.354 -1.874 7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.054 -1.475 7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.834 -3.972 8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.522 -3.974 7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.526 -4.400 8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.524 -2.703 8.789 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.073 -3.163 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.849 -4.352 10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.836 -5.421 11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.617 -5.906 9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.803 -4.754 10.330 1.00 0.00 H new ATOM 932 N ASP A 60 3.350 0.316 10.538 1.00 0.00 N ATOM 933 CA ASP A 60 3.904 1.693 10.668 1.00 0.00 C ATOM 934 C ASP A 60 4.230 2.280 9.290 1.00 0.00 C ATOM 935 O ASP A 60 3.705 3.306 8.906 1.00 0.00 O ATOM 936 CB ASP A 60 5.178 1.519 11.491 1.00 0.00 C ATOM 937 CG ASP A 60 4.849 1.659 12.978 1.00 0.00 C ATOM 938 OD1 ASP A 60 3.886 1.048 13.411 1.00 0.00 O ATOM 939 OD2 ASP A 60 5.565 2.374 13.659 1.00 0.00 O ATOM 0 H ASP A 60 3.687 -0.353 11.230 1.00 0.00 H new ATOM 0 HA ASP A 60 3.197 2.379 11.136 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.619 0.541 11.296 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.917 2.266 11.199 1.00 0.00 H new ATOM 944 N TRP A 61 5.094 1.644 8.548 1.00 0.00 N ATOM 945 CA TRP A 61 5.451 2.180 7.203 1.00 0.00 C ATOM 946 C TRP A 61 4.193 2.369 6.353 1.00 0.00 C ATOM 947 O TRP A 61 4.023 3.376 5.693 1.00 0.00 O ATOM 948 CB TRP A 61 6.385 1.133 6.590 1.00 0.00 C ATOM 949 CG TRP A 61 5.600 -0.004 6.017 1.00 0.00 C ATOM 950 CD1 TRP A 61 5.237 -1.111 6.696 1.00 0.00 C ATOM 951 CD2 TRP A 61 5.095 -0.172 4.660 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.548 -1.956 5.842 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.434 -1.419 4.575 1.00 0.00 C ATOM 954 CE3 TRP A 61 5.147 0.629 3.508 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.848 -1.857 3.387 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.557 0.191 2.310 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.910 -1.052 2.251 1.00 0.00 C ATOM 0 H TRP A 61 5.567 0.780 8.813 1.00 0.00 H new ATOM 0 HA TRP A 61 5.931 3.157 7.260 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.992 1.592 5.810 1.00 0.00 H new ATOM 0 HB3 TRP A 61 7.071 0.761 7.350 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.449 -1.307 7.737 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.171 -2.864 6.115 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.643 1.588 3.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.349 -2.814 3.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.602 0.815 1.430 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.461 -1.385 1.327 1.00 0.00 H new ATOM 968 N VAL A 62 3.303 1.420 6.373 1.00 0.00 N ATOM 969 CA VAL A 62 2.059 1.562 5.579 1.00 0.00 C ATOM 970 C VAL A 62 1.269 2.779 6.066 1.00 0.00 C ATOM 971 O VAL A 62 0.904 3.642 5.296 1.00 0.00 O ATOM 972 CB VAL A 62 1.295 0.266 5.832 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.199 0.536 5.764 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.663 -0.754 4.759 1.00 0.00 C ATOM 0 H VAL A 62 3.385 0.554 6.905 1.00 0.00 H new ATOM 0 HA VAL A 62 2.244 1.718 4.516 1.00 0.00 H new ATOM 0 HB VAL A 62 1.555 -0.121 6.817 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.745 -0.390 5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.471 1.271 6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.455 0.921 4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.119 -1.682 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.399 -0.361 3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.735 -0.950 4.795 1.00 0.00 H new ATOM 984 N LYS A 63 1.010 2.862 7.342 1.00 0.00 N ATOM 985 CA LYS A 63 0.261 4.026 7.868 1.00 0.00 C ATOM 986 C LYS A 63 0.774 5.299 7.198 1.00 0.00 C ATOM 987 O LYS A 63 0.008 6.120 6.734 1.00 0.00 O ATOM 988 CB LYS A 63 0.564 4.025 9.364 1.00 0.00 C ATOM 989 CG LYS A 63 -0.626 4.602 10.120 1.00 0.00 C ATOM 990 CD LYS A 63 -0.132 5.400 11.328 1.00 0.00 C ATOM 991 CE LYS A 63 -1.022 5.101 12.536 1.00 0.00 C ATOM 992 NZ LYS A 63 -0.391 5.832 13.669 1.00 0.00 N ATOM 0 H LYS A 63 1.287 2.171 8.039 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.811 3.978 7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.768 3.010 9.705 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.458 4.615 9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.210 5.245 9.462 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.285 3.798 10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.902 5.139 11.551 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.150 6.467 11.105 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.044 5.441 12.367 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.071 4.030 12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.945 5.675 14.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.578 5.483 13.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.365 6.849 13.454 1.00 0.00 H new ATOM 1006 N LYS A 64 2.067 5.456 7.117 1.00 0.00 N ATOM 1007 CA LYS A 64 2.618 6.662 6.445 1.00 0.00 C ATOM 1008 C LYS A 64 2.083 6.709 5.015 1.00 0.00 C ATOM 1009 O LYS A 64 1.701 7.749 4.514 1.00 0.00 O ATOM 1010 CB LYS A 64 4.135 6.468 6.451 1.00 0.00 C ATOM 1011 CG LYS A 64 4.788 7.496 5.524 1.00 0.00 C ATOM 1012 CD LYS A 64 5.023 8.798 6.294 1.00 0.00 C ATOM 1013 CE LYS A 64 6.513 8.940 6.613 1.00 0.00 C ATOM 1014 NZ LYS A 64 7.050 9.832 5.549 1.00 0.00 N ATOM 0 H LYS A 64 2.760 4.805 7.485 1.00 0.00 H new ATOM 0 HA LYS A 64 2.340 7.594 6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.522 6.579 7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.384 5.458 6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.734 7.110 5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.149 7.681 4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.684 9.649 5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.441 8.798 7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.666 9.370 7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.013 7.971 6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.069 9.977 5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.896 9.394 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.560 10.749 5.585 1.00 0.00 H new ATOM 1028 N LEU A 65 2.039 5.579 4.362 1.00 0.00 N ATOM 1029 CA LEU A 65 1.511 5.543 2.971 1.00 0.00 C ATOM 1030 C LEU A 65 0.073 6.064 2.955 1.00 0.00 C ATOM 1031 O LEU A 65 -0.242 7.028 2.292 1.00 0.00 O ATOM 1032 CB LEU A 65 1.545 4.062 2.565 1.00 0.00 C ATOM 1033 CG LEU A 65 2.981 3.616 2.256 1.00 0.00 C ATOM 1034 CD1 LEU A 65 2.950 2.510 1.207 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.798 4.781 1.704 1.00 0.00 C ATOM 0 H LEU A 65 2.346 4.680 4.733 1.00 0.00 H new ATOM 0 HA LEU A 65 2.093 6.163 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.134 3.450 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.914 3.905 1.690 1.00 0.00 H new ATOM 0 HG LEU A 65 3.438 3.259 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.968 2.191 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.379 1.663 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.481 2.884 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.813 4.445 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.337 5.146 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.829 5.585 2.440 1.00 0.00 H new HETATM 1047 N MSE A 66 -0.802 5.428 3.680 1.00 0.00 N HETATM 1048 CA MSE A 66 -2.223 5.881 3.707 1.00 0.00 C HETATM 1049 C MSE A 66 -2.315 7.339 4.172 1.00 0.00 C HETATM 1050 O MSE A 66 -3.316 7.999 3.979 1.00 0.00 O HETATM 1051 CB MSE A 66 -2.913 4.957 4.712 1.00 0.00 C HETATM 1052 CG MSE A 66 -2.957 3.533 4.151 1.00 0.00 C HETATM 1053 SE MSE A 66 -3.055 2.334 5.826 1.00 0.00 SE HETATM 1054 CE MSE A 66 -4.894 2.977 6.503 1.00 0.00 C HETATM 0 H MSE A 66 -0.596 4.612 4.257 1.00 0.00 H new HETATM 0 HA MSE A 66 -2.685 5.836 2.721 1.00 0.00 H new HETATM 0 HB2 MSE A 66 -2.376 4.969 5.661 1.00 0.00 H new HETATM 0 HB3 MSE A 66 -3.924 5.311 4.913 1.00 0.00 H new HETATM 0 HG2 MSE A 66 -3.822 3.386 3.505 1.00 0.00 H new HETATM 0 HG3 MSE A 66 -2.072 3.312 3.554 1.00 0.00 H new HETATM 0 HE1 MSE A 66 -5.150 2.447 7.420 1.00 0.00 H new HETATM 0 HE2 MSE A 66 -4.854 4.048 6.702 1.00 0.00 H new HETATM 0 HE3 MSE A 66 -5.651 2.776 5.745 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.281 7.845 4.788 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.318 9.258 5.266 1.00 0.00 C ATOM 1066 C GLN A 67 -0.942 10.217 4.133 1.00 0.00 C ATOM 1067 O GLN A 67 -1.529 11.270 3.979 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.281 9.324 6.388 1.00 0.00 C ATOM 1069 CG GLN A 67 -0.221 10.748 6.946 1.00 0.00 C ATOM 1070 CD GLN A 67 1.176 11.019 7.506 1.00 0.00 C ATOM 1071 OE1 GLN A 67 1.737 10.193 8.199 1.00 0.00 O ATOM 1072 NE2 GLN A 67 1.767 12.151 7.234 1.00 0.00 N ATOM 0 H GLN A 67 -0.414 7.343 4.981 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.311 9.549 5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.542 8.622 7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.698 9.029 6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.456 11.467 6.161 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.969 10.875 7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.297 12.845 6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.699 12.341 7.603 1.00 0.00 H new ATOM 1081 N GLN A 68 0.031 9.862 3.342 1.00 0.00 N ATOM 1082 CA GLN A 68 0.445 10.757 2.222 1.00 0.00 C ATOM 1083 C GLN A 68 -0.347 10.423 0.955 1.00 0.00 C ATOM 1084 O GLN A 68 -0.552 11.260 0.098 1.00 0.00 O ATOM 1085 CB GLN A 68 1.929 10.461 2.016 1.00 0.00 C ATOM 1086 CG GLN A 68 2.763 11.394 2.898 1.00 0.00 C ATOM 1087 CD GLN A 68 3.333 12.528 2.045 1.00 0.00 C ATOM 1088 OE1 GLN A 68 2.626 13.448 1.685 1.00 0.00 O ATOM 1089 NE2 GLN A 68 4.593 12.501 1.706 1.00 0.00 N ATOM 0 H GLN A 68 0.558 8.992 3.421 1.00 0.00 H new ATOM 0 HA GLN A 68 0.261 11.809 2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.141 9.421 2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.196 10.599 0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.147 11.802 3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.573 10.838 3.370 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.186 11.728 2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.985 13.253 1.139 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.788 9.204 0.831 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.562 8.804 -0.377 1.00 0.00 C ATOM 1100 C LEU A 69 -3.059 9.026 -0.144 1.00 0.00 C ATOM 1101 O LEU A 69 -3.547 8.877 0.959 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.272 7.313 -0.567 1.00 0.00 C ATOM 1103 CG LEU A 69 0.192 7.001 -0.251 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.313 5.546 0.198 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.042 7.203 -1.501 1.00 0.00 C ATOM 0 H LEU A 69 -0.645 8.463 1.517 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.282 9.389 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.922 6.726 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.498 7.022 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 69 0.538 7.666 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.355 5.320 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.294 5.389 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.036 4.889 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.084 6.980 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.693 6.537 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.957 8.237 -1.835 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.738 9.375 -1.201 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.194 9.621 -1.130 1.00 0.00 C ATOM 1119 C PRO A 70 -5.970 8.304 -1.265 1.00 0.00 C ATOM 1120 O PRO A 70 -5.818 7.581 -2.229 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.453 10.525 -2.331 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.346 10.234 -3.305 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.213 9.577 -2.552 1.00 0.00 C ATOM 0 HA PRO A 70 -5.511 10.063 -0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.428 10.319 -2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.451 11.575 -2.038 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.703 9.580 -4.101 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.004 11.155 -3.778 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.927 8.631 -3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.324 10.208 -2.542 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.805 7.991 -0.310 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.591 6.723 -0.392 1.00 0.00 C ATOM 1133 C VAL A 71 -8.468 6.728 -1.646 1.00 0.00 C ATOM 1134 O VAL A 71 -9.633 7.069 -1.597 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.463 6.709 0.862 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.186 8.049 0.986 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.494 5.585 0.750 1.00 0.00 C ATOM 0 H VAL A 71 -6.977 8.556 0.522 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.947 5.845 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.840 6.545 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.810 8.044 1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.453 8.852 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.812 8.208 0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.118 5.573 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.120 5.751 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.980 4.628 0.653 1.00 0.00 H new ATOM 1147 N THR A 72 -7.915 6.355 -2.766 1.00 0.00 N ATOM 1148 CA THR A 72 -8.710 6.336 -4.029 1.00 0.00 C ATOM 1149 C THR A 72 -10.151 5.897 -3.745 1.00 0.00 C ATOM 1150 O THR A 72 -10.413 5.160 -2.815 1.00 0.00 O ATOM 1151 CB THR A 72 -8.006 5.315 -4.923 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.657 5.170 -4.501 1.00 0.00 O ATOM 1153 CG2 THR A 72 -8.041 5.792 -6.375 1.00 0.00 C ATOM 0 H THR A 72 -6.943 6.061 -2.863 1.00 0.00 H new ATOM 0 HA THR A 72 -8.765 7.319 -4.496 1.00 0.00 H new ATOM 0 HB THR A 72 -8.516 4.355 -4.849 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.204 4.515 -5.072 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.538 5.062 -7.010 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.077 5.901 -6.697 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.533 6.753 -6.455 1.00 0.00 H new ATOM 1161 N ALA A 73 -11.085 6.344 -4.539 1.00 0.00 N ATOM 1162 CA ALA A 73 -12.507 5.953 -4.313 1.00 0.00 C ATOM 1163 C ALA A 73 -13.175 5.589 -5.643 1.00 0.00 C ATOM 1164 O ALA A 73 -14.317 5.922 -5.886 1.00 0.00 O ATOM 1165 CB ALA A 73 -13.165 7.191 -3.704 1.00 0.00 C ATOM 0 H ALA A 73 -10.926 6.963 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.597 5.082 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.217 6.984 -3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.665 7.447 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.083 8.026 -4.400 1.00 0.00 H new ATOM 1171 N ARG A 74 -12.472 4.907 -6.504 1.00 0.00 N ATOM 1172 CA ARG A 74 -13.067 4.522 -7.815 1.00 0.00 C ATOM 1173 C ARG A 74 -12.895 3.020 -8.055 1.00 0.00 C ATOM 1174 CB ARG A 74 -12.287 5.325 -8.857 1.00 0.00 C ATOM 1175 CG ARG A 74 -13.250 6.219 -9.640 1.00 0.00 C ATOM 1176 CD ARG A 74 -14.266 5.348 -10.382 1.00 0.00 C ATOM 1177 NE ARG A 74 -15.506 6.171 -10.442 1.00 0.00 N ATOM 1178 CZ ARG A 74 -15.863 6.732 -11.564 1.00 0.00 C ATOM 1179 NH1 ARG A 74 -16.592 6.070 -12.422 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -15.492 7.955 -11.830 1.00 0.00 N ATOM 0 H ARG A 74 -11.511 4.599 -6.357 1.00 0.00 H new ATOM 0 HA ARG A 74 -14.136 4.729 -7.859 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.526 5.933 -8.368 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.767 4.650 -9.537 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.765 6.899 -8.961 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.696 6.835 -10.349 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.913 5.093 -11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -14.440 4.409 -9.856 1.00 0.00 H new ATOM 0 HE ARG A 74 -16.076 6.296 -9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -16.882 5.114 -12.215 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -16.871 6.509 -13.299 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.923 8.472 -11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.771 8.393 -12.708 1.00 0.00 H new TER 1194 ARG A 74