USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 504 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 THR OG1 : rot 180:sc= 0.0528 USER MOD Set 1.2: A 18 GLN : amide:sc= 0.622 K(o=0.67,f=-6.9!) USER MOD Single : A 1 SER N :NH3+ -147:sc= 0.0167 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0805 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 150:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0203) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= -0.108 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0141) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 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 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0074 K(o=-0.0074,f=-0.52) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.241 -6.860 -15.617 1.00 1.12 N ATOM 2 CA SER A 1 -6.318 -5.722 -16.536 1.00 33.23 C ATOM 3 C SER A 1 -5.273 -5.885 -17.638 1.00 34.43 C ATOM 4 O SER A 1 -5.566 -6.531 -18.640 1.00 51.12 O ATOM 5 CB SER A 1 -6.210 -4.398 -15.765 1.00 44.43 C ATOM 6 OG SER A 1 -5.092 -4.352 -14.888 1.00 52.41 O ATOM 0 H1 SER A 1 -7.190 -7.075 -15.251 1.00 1.12 H new ATOM 0 H2 SER A 1 -5.869 -7.689 -16.122 1.00 1.12 H new ATOM 0 H3 SER A 1 -5.609 -6.625 -14.825 1.00 1.12 H new ATOM 0 HA SER A 1 -7.291 -5.696 -17.028 1.00 33.23 H new ATOM 0 HB2 SER A 1 -6.140 -3.575 -16.476 1.00 44.43 H new ATOM 0 HB3 SER A 1 -7.123 -4.245 -15.189 1.00 44.43 H new ATOM 0 HG SER A 1 -5.073 -3.488 -14.427 1.00 52.41 H new ATOM 11 N ALA A 2 -4.032 -5.439 -17.427 1.00 42.33 N ATOM 12 CA ALA A 2 -2.986 -5.365 -18.444 1.00 13.53 C ATOM 13 C ALA A 2 -1.689 -6.022 -17.946 1.00 52.53 C ATOM 14 O ALA A 2 -1.570 -6.272 -16.736 1.00 33.01 O ATOM 15 CB ALA A 2 -2.776 -3.881 -18.764 1.00 61.11 C ATOM 0 H ALA A 2 -3.720 -5.109 -16.513 1.00 42.33 H new ATOM 0 HA ALA A 2 -3.279 -5.908 -19.343 1.00 13.53 H new ATOM 0 HB1 ALA A 2 -2.000 -3.779 -19.522 1.00 61.11 H new ATOM 0 HB2 ALA A 2 -3.707 -3.454 -19.137 1.00 61.11 H new ATOM 0 HB3 ALA A 2 -2.472 -3.353 -17.860 1.00 61.11 H new ATOM 21 N PRO A 3 -0.716 -6.313 -18.830 1.00 33.04 N ATOM 22 CA PRO A 3 0.665 -6.605 -18.444 1.00 24.34 C ATOM 23 C PRO A 3 1.319 -5.378 -17.785 1.00 61.23 C ATOM 24 O PRO A 3 0.730 -4.295 -17.742 1.00 22.22 O ATOM 25 CB PRO A 3 1.366 -7.024 -19.744 1.00 14.53 C ATOM 26 CG PRO A 3 0.582 -6.282 -20.822 1.00 51.24 C ATOM 27 CD PRO A 3 -0.843 -6.311 -20.283 1.00 33.14 C ATOM 0 HA PRO A 3 0.733 -7.397 -17.698 1.00 24.34 H new ATOM 0 HB2 PRO A 3 2.418 -6.738 -19.744 1.00 14.53 H new ATOM 0 HB3 PRO A 3 1.329 -8.103 -19.891 1.00 14.53 H new ATOM 0 HG2 PRO A 3 0.943 -5.262 -20.955 1.00 51.24 H new ATOM 0 HG3 PRO A 3 0.658 -6.776 -21.790 1.00 51.24 H new ATOM 0 HD2 PRO A 3 -1.409 -5.444 -20.625 1.00 33.14 H new ATOM 0 HD3 PRO A 3 -1.375 -7.197 -20.631 1.00 33.14 H new ATOM 32 N GLY A 4 2.537 -5.524 -17.261 1.00 63.12 N ATOM 33 CA GLY A 4 3.202 -4.472 -16.504 1.00 63.13 C ATOM 34 C GLY A 4 4.676 -4.801 -16.339 1.00 11.21 C ATOM 35 O GLY A 4 5.316 -5.295 -17.272 1.00 74.43 O ATOM 0 H GLY A 4 3.088 -6.378 -17.352 1.00 63.12 H new ATOM 0 HA2 GLY A 4 3.090 -3.517 -17.017 1.00 63.13 H new ATOM 0 HA3 GLY A 4 2.733 -4.365 -15.526 1.00 63.13 H new ATOM 39 N GLY A 5 5.230 -4.563 -15.150 1.00 55.32 N ATOM 40 CA GLY A 5 6.653 -4.706 -14.876 1.00 22.04 C ATOM 41 C GLY A 5 7.112 -6.162 -14.817 1.00 53.21 C ATOM 42 O GLY A 5 8.317 -6.398 -14.717 1.00 42.51 O ATOM 0 H GLY A 5 4.690 -4.261 -14.339 1.00 55.32 H new ATOM 0 HA2 GLY A 5 7.219 -4.185 -15.648 1.00 22.04 H new ATOM 0 HA3 GLY A 5 6.884 -4.220 -13.928 1.00 22.04 H new ATOM 46 N LYS A 6 6.189 -7.133 -14.927 1.00 24.03 N ATOM 47 CA LYS A 6 6.364 -8.531 -14.514 1.00 35.31 C ATOM 48 C LYS A 6 6.634 -8.527 -13.008 1.00 15.11 C ATOM 49 O LYS A 6 7.674 -9.000 -12.544 1.00 20.40 O ATOM 50 CB LYS A 6 7.417 -9.255 -15.381 1.00 22.12 C ATOM 51 CG LYS A 6 7.392 -10.786 -15.254 1.00 23.44 C ATOM 52 CD LYS A 6 8.494 -11.406 -16.128 1.00 61.52 C ATOM 53 CE LYS A 6 8.531 -12.935 -15.999 1.00 3.30 C ATOM 54 NZ LYS A 6 8.311 -13.619 -17.292 1.00 3.00 N ATOM 0 H LYS A 6 5.265 -6.956 -15.322 1.00 24.03 H new ATOM 0 HA LYS A 6 5.465 -9.122 -14.686 1.00 35.31 H new ATOM 0 HB2 LYS A 6 7.259 -8.986 -16.425 1.00 22.12 H new ATOM 0 HB3 LYS A 6 8.408 -8.895 -15.105 1.00 22.12 H new ATOM 0 HG2 LYS A 6 7.537 -11.075 -14.213 1.00 23.44 H new ATOM 0 HG3 LYS A 6 6.418 -11.168 -15.558 1.00 23.44 H new ATOM 0 HD2 LYS A 6 8.328 -11.133 -17.170 1.00 61.52 H new ATOM 0 HD3 LYS A 6 9.461 -10.993 -15.841 1.00 61.52 H new ATOM 0 HE2 LYS A 6 9.495 -13.239 -15.591 1.00 3.30 H new ATOM 0 HE3 LYS A 6 7.769 -13.255 -15.288 1.00 3.30 H new ATOM 0 HZ1 LYS A 6 8.346 -14.649 -17.150 1.00 3.00 H new ATOM 0 HZ2 LYS A 6 7.380 -13.353 -17.672 1.00 3.00 H new ATOM 0 HZ3 LYS A 6 9.053 -13.337 -17.964 1.00 3.00 H new ATOM 64 N SER A 7 5.699 -7.939 -12.256 1.00 73.01 N ATOM 65 CA SER A 7 5.847 -7.555 -10.853 1.00 71.31 C ATOM 66 C SER A 7 6.970 -6.521 -10.661 1.00 72.04 C ATOM 67 O SER A 7 7.738 -6.221 -11.582 1.00 61.14 O ATOM 68 CB SER A 7 6.072 -8.795 -9.972 1.00 0.14 C ATOM 69 OG SER A 7 5.292 -9.911 -10.369 1.00 11.41 O ATOM 0 H SER A 7 4.777 -7.708 -12.627 1.00 73.01 H new ATOM 0 HA SER A 7 4.918 -7.079 -10.539 1.00 71.31 H new ATOM 0 HB2 SER A 7 7.127 -9.068 -10.002 1.00 0.14 H new ATOM 0 HB3 SER A 7 5.837 -8.545 -8.937 1.00 0.14 H new ATOM 0 HG SER A 7 5.478 -10.668 -9.775 1.00 11.41 H new ATOM 74 N ARG A 8 7.130 -6.008 -9.438 1.00 1.33 N ATOM 75 CA ARG A 8 8.384 -5.391 -9.010 1.00 73.15 C ATOM 76 C ARG A 8 8.980 -6.272 -7.934 1.00 0.32 C ATOM 77 O ARG A 8 8.352 -6.472 -6.900 1.00 23.31 O ATOM 78 CB ARG A 8 8.194 -3.937 -8.554 1.00 44.41 C ATOM 79 CG ARG A 8 8.436 -2.965 -9.719 1.00 2.54 C ATOM 80 CD ARG A 8 8.425 -1.507 -9.247 1.00 42.24 C ATOM 81 NE ARG A 8 7.098 -1.086 -8.774 1.00 74.21 N ATOM 82 CZ ARG A 8 6.084 -0.707 -9.559 1.00 63.24 C ATOM 83 NH1 ARG A 8 6.223 -0.665 -10.879 1.00 24.42 N ATOM 84 NH2 ARG A 8 4.920 -0.361 -9.029 1.00 12.44 N ATOM 0 H ARG A 8 6.401 -6.009 -8.725 1.00 1.33 H new ATOM 0 HA ARG A 8 9.075 -5.323 -9.851 1.00 73.15 H new ATOM 0 HB2 ARG A 8 7.185 -3.802 -8.165 1.00 44.41 H new ATOM 0 HB3 ARG A 8 8.882 -3.714 -7.739 1.00 44.41 H new ATOM 0 HG2 ARG A 8 9.394 -3.189 -10.188 1.00 2.54 H new ATOM 0 HG3 ARG A 8 7.668 -3.108 -10.479 1.00 2.54 H new ATOM 0 HD2 ARG A 8 9.152 -1.381 -8.444 1.00 42.24 H new ATOM 0 HD3 ARG A 8 8.739 -0.860 -10.066 1.00 42.24 H new ATOM 0 HE ARG A 8 6.938 -1.083 -7.767 1.00 74.21 H new ATOM 0 HH11 ARG A 8 7.112 -0.924 -11.307 1.00 24.42 H new ATOM 0 HH12 ARG A 8 5.441 -0.374 -11.465 1.00 24.42 H new ATOM 0 HH21 ARG A 8 4.794 -0.383 -8.017 1.00 12.44 H new ATOM 0 HH22 ARG A 8 4.150 -0.073 -9.633 1.00 12.44 H new ATOM 95 N ARG A 9 10.138 -6.872 -8.211 1.00 44.14 N ATOM 96 CA ARG A 9 10.854 -7.729 -7.262 1.00 61.01 C ATOM 97 C ARG A 9 11.566 -6.876 -6.207 1.00 54.33 C ATOM 98 O ARG A 9 11.400 -5.654 -6.184 1.00 12.52 O ATOM 99 CB ARG A 9 11.801 -8.686 -8.017 1.00 54.22 C ATOM 100 CG ARG A 9 12.925 -7.993 -8.806 1.00 0.10 C ATOM 101 CD ARG A 9 12.715 -7.902 -10.328 1.00 21.10 C ATOM 102 NE ARG A 9 13.553 -8.844 -11.084 1.00 35.42 N ATOM 103 CZ ARG A 9 13.393 -10.161 -11.210 1.00 52.35 C ATOM 104 NH1 ARG A 9 12.342 -10.780 -10.695 1.00 34.22 N ATOM 105 NH2 ARG A 9 14.309 -10.865 -11.855 1.00 63.05 N ATOM 0 H ARG A 9 10.611 -6.777 -9.110 1.00 44.14 H new ATOM 0 HA ARG A 9 10.144 -8.357 -6.723 1.00 61.01 H new ATOM 0 HB2 ARG A 9 12.250 -9.372 -7.298 1.00 54.22 H new ATOM 0 HB3 ARG A 9 11.211 -9.289 -8.707 1.00 54.22 H new ATOM 0 HG2 ARG A 9 13.050 -6.984 -8.414 1.00 0.10 H new ATOM 0 HG3 ARG A 9 13.857 -8.525 -8.618 1.00 0.10 H new ATOM 0 HD2 ARG A 9 11.667 -8.094 -10.556 1.00 21.10 H new ATOM 0 HD3 ARG A 9 12.932 -6.886 -10.658 1.00 21.10 H new ATOM 0 HE ARG A 9 14.354 -8.441 -11.571 1.00 35.42 H new ATOM 0 HH11 ARG A 9 11.634 -10.248 -10.189 1.00 34.22 H new ATOM 0 HH12 ARG A 9 12.240 -11.789 -10.804 1.00 34.22 H new ATOM 0 HH21 ARG A 9 15.126 -10.399 -12.249 1.00 63.05 H new ATOM 0 HH22 ARG A 9 14.198 -11.874 -11.958 1.00 63.05 H new ATOM 116 N ARG A 10 12.401 -7.493 -5.357 1.00 55.34 N ATOM 117 CA ARG A 10 13.409 -6.837 -4.508 1.00 63.43 C ATOM 118 C ARG A 10 14.447 -6.038 -5.325 1.00 0.12 C ATOM 119 O ARG A 10 15.641 -6.321 -5.293 1.00 62.12 O ATOM 120 CB ARG A 10 14.058 -7.867 -3.549 1.00 11.13 C ATOM 121 CG ARG A 10 14.763 -9.078 -4.192 1.00 34.22 C ATOM 122 CD ARG A 10 15.773 -9.732 -3.238 1.00 12.41 C ATOM 123 NE ARG A 10 15.152 -10.383 -2.061 1.00 55.23 N ATOM 124 CZ ARG A 10 15.320 -11.664 -1.696 1.00 60.23 C ATOM 125 NH1 ARG A 10 15.836 -12.558 -2.532 1.00 73.35 N ATOM 126 NH2 ARG A 10 14.948 -12.071 -0.493 1.00 62.22 N ATOM 0 H ARG A 10 12.392 -8.506 -5.237 1.00 55.34 H new ATOM 0 HA ARG A 10 12.899 -6.093 -3.896 1.00 63.43 H new ATOM 0 HB2 ARG A 10 14.785 -7.342 -2.930 1.00 11.13 H new ATOM 0 HB3 ARG A 10 13.283 -8.242 -2.881 1.00 11.13 H new ATOM 0 HG2 ARG A 10 14.017 -9.815 -4.490 1.00 34.22 H new ATOM 0 HG3 ARG A 10 15.276 -8.759 -5.099 1.00 34.22 H new ATOM 0 HD2 ARG A 10 16.350 -10.474 -3.789 1.00 12.41 H new ATOM 0 HD3 ARG A 10 16.476 -8.974 -2.893 1.00 12.41 H new ATOM 0 HE ARG A 10 14.544 -9.808 -1.477 1.00 55.23 H new ATOM 0 HH11 ARG A 10 16.113 -12.276 -3.472 1.00 73.35 H new ATOM 0 HH12 ARG A 10 15.955 -13.526 -2.234 1.00 73.35 H new ATOM 0 HH21 ARG A 10 14.531 -11.410 0.163 1.00 62.22 H new ATOM 0 HH22 ARG A 10 15.078 -13.046 -0.221 1.00 62.22 H new ATOM 137 N ARG A 11 14.008 -5.037 -6.083 1.00 35.21 N ATOM 138 CA ARG A 11 14.784 -4.131 -6.938 1.00 23.01 C ATOM 139 C ARG A 11 14.277 -2.702 -6.738 1.00 62.43 C ATOM 140 O ARG A 11 14.435 -1.852 -7.611 1.00 51.33 O ATOM 141 CB ARG A 11 14.671 -4.570 -8.413 1.00 64.45 C ATOM 142 CG ARG A 11 15.453 -5.852 -8.746 1.00 33.14 C ATOM 143 CD ARG A 11 16.912 -5.585 -9.097 1.00 41.15 C ATOM 144 NE ARG A 11 17.066 -5.347 -10.541 1.00 22.13 N ATOM 145 CZ ARG A 11 18.149 -5.617 -11.277 1.00 0.13 C ATOM 146 NH1 ARG A 11 19.194 -6.222 -10.725 1.00 42.21 N ATOM 147 NH2 ARG A 11 18.156 -5.272 -12.561 1.00 33.23 N ATOM 0 H ARG A 11 13.013 -4.816 -6.121 1.00 35.21 H new ATOM 0 HA ARG A 11 15.838 -4.168 -6.664 1.00 23.01 H new ATOM 0 HB2 ARG A 11 13.620 -4.725 -8.656 1.00 64.45 H new ATOM 0 HB3 ARG A 11 15.030 -3.762 -9.050 1.00 64.45 H new ATOM 0 HG2 ARG A 11 15.408 -6.530 -7.894 1.00 33.14 H new ATOM 0 HG3 ARG A 11 14.971 -6.358 -9.582 1.00 33.14 H new ATOM 0 HD2 ARG A 11 17.272 -4.720 -8.541 1.00 41.15 H new ATOM 0 HD3 ARG A 11 17.525 -6.435 -8.796 1.00 41.15 H new ATOM 0 HE ARG A 11 16.269 -4.936 -11.028 1.00 22.13 H new ATOM 0 HH11 ARG A 11 19.171 -6.481 -9.739 1.00 42.21 H new ATOM 0 HH12 ARG A 11 20.020 -6.428 -11.287 1.00 42.21 H new ATOM 0 HH21 ARG A 11 17.344 -4.809 -12.969 1.00 33.23 H new ATOM 0 HH22 ARG A 11 18.974 -5.470 -13.138 1.00 33.23 H new ATOM 158 N THR A 12 13.610 -2.439 -5.621 1.00 32.21 N ATOM 159 CA THR A 12 13.141 -1.124 -5.212 1.00 3.20 C ATOM 160 C THR A 12 13.386 -1.032 -3.699 1.00 11.13 C ATOM 161 O THR A 12 14.077 -1.891 -3.139 1.00 40.51 O ATOM 162 CB THR A 12 11.656 -0.929 -5.601 1.00 4.32 C ATOM 163 OG1 THR A 12 11.238 -1.740 -6.689 1.00 20.22 O ATOM 164 CG2 THR A 12 11.387 0.526 -5.998 1.00 42.11 C ATOM 0 H THR A 12 13.372 -3.168 -4.948 1.00 32.21 H new ATOM 0 HA THR A 12 13.676 -0.321 -5.719 1.00 3.20 H new ATOM 0 HB THR A 12 11.094 -1.219 -4.713 1.00 4.32 H new ATOM 0 HG1 THR A 12 10.286 -1.950 -6.593 1.00 20.22 H new ATOM 0 HG21 THR A 12 10.337 0.641 -6.268 1.00 42.11 H new ATOM 0 HG22 THR A 12 11.620 1.181 -5.159 1.00 42.11 H new ATOM 0 HG23 THR A 12 12.012 0.792 -6.850 1.00 42.11 H new ATOM 172 N ALA A 13 12.811 -0.026 -3.033 1.00 62.20 N ATOM 173 CA ALA A 13 12.642 -0.032 -1.586 1.00 35.22 C ATOM 174 C ALA A 13 11.826 -1.259 -1.156 1.00 11.32 C ATOM 175 O ALA A 13 12.230 -1.981 -0.239 1.00 33.41 O ATOM 176 CB ALA A 13 11.962 1.270 -1.155 1.00 73.44 C ATOM 0 H ALA A 13 12.451 0.814 -3.487 1.00 62.20 H new ATOM 0 HA ALA A 13 13.615 -0.095 -1.098 1.00 35.22 H new ATOM 0 HB1 ALA A 13 11.832 1.272 -0.073 1.00 73.44 H new ATOM 0 HB2 ALA A 13 12.581 2.118 -1.448 1.00 73.44 H new ATOM 0 HB3 ALA A 13 10.988 1.348 -1.637 1.00 73.44 H new ATOM 182 N PHE A 14 10.702 -1.506 -1.837 1.00 23.34 N ATOM 183 CA PHE A 14 9.833 -2.654 -1.601 1.00 3.11 C ATOM 184 C PHE A 14 10.348 -3.892 -2.360 1.00 2.24 C ATOM 185 O PHE A 14 11.165 -3.758 -3.281 1.00 64.24 O ATOM 186 CB PHE A 14 8.386 -2.342 -2.010 1.00 24.15 C ATOM 187 CG PHE A 14 7.824 -1.043 -1.462 1.00 75.21 C ATOM 188 CD1 PHE A 14 8.093 0.139 -2.168 1.00 62.01 C ATOM 189 CD2 PHE A 14 7.034 -0.997 -0.293 1.00 60.31 C ATOM 190 CE1 PHE A 14 7.575 1.365 -1.730 1.00 40.32 C ATOM 191 CE2 PHE A 14 6.513 0.237 0.153 1.00 62.00 C ATOM 192 CZ PHE A 14 6.781 1.406 -0.576 1.00 51.42 C ATOM 0 H PHE A 14 10.367 -0.897 -2.584 1.00 23.34 H new ATOM 0 HA PHE A 14 9.847 -2.870 -0.533 1.00 3.11 H new ATOM 0 HB2 PHE A 14 8.332 -2.312 -3.098 1.00 24.15 H new ATOM 0 HB3 PHE A 14 7.748 -3.162 -1.681 1.00 24.15 H new ATOM 0 HD1 PHE A 14 8.705 0.104 -3.057 1.00 62.01 H new ATOM 0 HD2 PHE A 14 6.829 -1.903 0.258 1.00 60.31 H new ATOM 0 HE1 PHE A 14 7.786 2.272 -2.278 1.00 40.32 H new ATOM 0 HE2 PHE A 14 5.912 0.281 1.049 1.00 62.00 H new ATOM 0 HZ PHE A 14 6.371 2.348 -0.244 1.00 51.42 H new ATOM 201 N THR A 15 9.811 -5.072 -2.035 1.00 74.22 N ATOM 202 CA THR A 15 10.006 -6.324 -2.755 1.00 11.54 C ATOM 203 C THR A 15 8.683 -6.760 -3.405 1.00 32.14 C ATOM 204 O THR A 15 7.650 -6.110 -3.213 1.00 0.12 O ATOM 205 CB THR A 15 10.581 -7.409 -1.814 1.00 72.12 C ATOM 206 OG1 THR A 15 9.570 -7.877 -0.934 1.00 62.33 O ATOM 207 CG2 THR A 15 11.774 -6.946 -0.969 1.00 12.13 C ATOM 0 H THR A 15 9.201 -5.180 -1.225 1.00 74.22 H new ATOM 0 HA THR A 15 10.736 -6.176 -3.551 1.00 11.54 H new ATOM 0 HB THR A 15 10.940 -8.199 -2.474 1.00 72.12 H new ATOM 0 HG1 THR A 15 9.943 -8.565 -0.344 1.00 62.33 H new ATOM 0 HG21 THR A 15 12.114 -7.768 -0.339 1.00 12.13 H new ATOM 0 HG22 THR A 15 12.585 -6.632 -1.626 1.00 12.13 H new ATOM 0 HG23 THR A 15 11.472 -6.108 -0.341 1.00 12.13 H new ATOM 215 N SER A 16 8.691 -7.875 -4.147 1.00 1.34 N ATOM 216 CA SER A 16 7.465 -8.444 -4.691 1.00 74.11 C ATOM 217 C SER A 16 6.614 -9.093 -3.606 1.00 74.23 C ATOM 218 O SER A 16 5.416 -9.232 -3.815 1.00 33.41 O ATOM 219 CB SER A 16 7.762 -9.449 -5.811 1.00 35.43 C ATOM 220 OG SER A 16 8.880 -10.264 -5.517 1.00 22.11 O ATOM 0 H SER A 16 9.536 -8.396 -4.381 1.00 1.34 H new ATOM 0 HA SER A 16 6.895 -7.618 -5.116 1.00 74.11 H new ATOM 0 HB2 SER A 16 6.888 -10.080 -5.972 1.00 35.43 H new ATOM 0 HB3 SER A 16 7.942 -8.910 -6.741 1.00 35.43 H new ATOM 0 HG SER A 16 9.032 -10.890 -6.256 1.00 22.11 H new ATOM 225 N GLU A 17 7.185 -9.501 -2.470 1.00 62.34 N ATOM 226 CA GLU A 17 6.409 -9.940 -1.322 1.00 45.20 C ATOM 227 C GLU A 17 5.627 -8.746 -0.793 1.00 53.14 C ATOM 228 O GLU A 17 4.408 -8.800 -0.709 1.00 13.05 O ATOM 229 CB GLU A 17 7.353 -10.498 -0.251 1.00 64.31 C ATOM 230 CG GLU A 17 7.179 -12.001 -0.065 1.00 25.53 C ATOM 231 CD GLU A 17 8.206 -12.500 0.950 1.00 74.33 C ATOM 232 OE1 GLU A 17 8.045 -12.209 2.159 1.00 42.03 O ATOM 233 OE2 GLU A 17 9.249 -13.048 0.526 1.00 65.41 O ATOM 0 H GLU A 17 8.194 -9.534 -2.327 1.00 62.34 H new ATOM 0 HA GLU A 17 5.713 -10.731 -1.603 1.00 45.20 H new ATOM 0 HB2 GLU A 17 8.385 -10.284 -0.530 1.00 64.31 H new ATOM 0 HB3 GLU A 17 7.167 -9.991 0.696 1.00 64.31 H new ATOM 0 HG2 GLU A 17 6.169 -12.223 0.281 1.00 25.53 H new ATOM 0 HG3 GLU A 17 7.310 -12.516 -1.017 1.00 25.53 H new ATOM 238 N GLN A 18 6.332 -7.657 -0.468 1.00 33.24 N ATOM 239 CA GLN A 18 5.723 -6.474 0.121 1.00 23.12 C ATOM 240 C GLN A 18 4.645 -5.917 -0.795 1.00 14.43 C ATOM 241 O GLN A 18 3.524 -5.726 -0.353 1.00 4.31 O ATOM 242 CB GLN A 18 6.795 -5.418 0.395 1.00 42.31 C ATOM 243 CG GLN A 18 7.595 -5.768 1.653 1.00 73.43 C ATOM 244 CD GLN A 18 8.884 -4.965 1.750 1.00 12.52 C ATOM 245 OE1 GLN A 18 9.618 -4.805 0.782 1.00 43.30 O ATOM 246 NE2 GLN A 18 9.198 -4.452 2.914 1.00 54.52 N ATOM 0 H GLN A 18 7.339 -7.577 -0.608 1.00 33.24 H new ATOM 0 HA GLN A 18 5.255 -6.752 1.065 1.00 23.12 H new ATOM 0 HB2 GLN A 18 7.467 -5.345 -0.460 1.00 42.31 H new ATOM 0 HB3 GLN A 18 6.327 -4.441 0.516 1.00 42.31 H new ATOM 0 HG2 GLN A 18 6.983 -5.580 2.536 1.00 73.43 H new ATOM 0 HG3 GLN A 18 7.830 -6.832 1.649 1.00 73.43 H new ATOM 0 HE21 GLN A 18 8.582 -4.590 3.715 1.00 54.52 H new ATOM 0 HE22 GLN A 18 10.059 -3.915 3.019 1.00 54.52 H new ATOM 253 N LEU A 19 4.957 -5.641 -2.063 1.00 42.13 N ATOM 254 CA LEU A 19 3.980 -5.024 -2.959 1.00 54.40 C ATOM 255 C LEU A 19 2.778 -5.936 -3.211 1.00 3.31 C ATOM 256 O LEU A 19 1.725 -5.428 -3.586 1.00 71.44 O ATOM 257 CB LEU A 19 4.646 -4.665 -4.297 1.00 64.41 C ATOM 258 CG LEU A 19 5.654 -3.510 -4.209 1.00 43.15 C ATOM 259 CD1 LEU A 19 6.401 -3.398 -5.539 1.00 43.45 C ATOM 260 CD2 LEU A 19 4.995 -2.162 -3.880 1.00 4.52 C ATOM 0 H LEU A 19 5.865 -5.832 -2.487 1.00 42.13 H new ATOM 0 HA LEU A 19 3.616 -4.119 -2.472 1.00 54.40 H new ATOM 0 HB2 LEU A 19 5.155 -5.547 -4.685 1.00 64.41 H new ATOM 0 HB3 LEU A 19 3.871 -4.402 -5.017 1.00 64.41 H new ATOM 0 HG LEU A 19 6.339 -3.738 -3.392 1.00 43.15 H new ATOM 0 HD11 LEU A 19 7.119 -2.580 -5.485 1.00 43.45 H new ATOM 0 HD12 LEU A 19 6.928 -4.331 -5.740 1.00 43.45 H new ATOM 0 HD13 LEU A 19 5.689 -3.204 -6.341 1.00 43.45 H new ATOM 0 HD21 LEU A 19 5.759 -1.386 -3.831 1.00 4.52 H new ATOM 0 HD22 LEU A 19 4.272 -1.911 -4.656 1.00 4.52 H new ATOM 0 HD23 LEU A 19 4.486 -2.231 -2.919 1.00 4.52 H new ATOM 271 N LEU A 20 2.923 -7.254 -3.044 1.00 62.43 N ATOM 272 CA LEU A 20 1.825 -8.196 -3.193 1.00 4.13 C ATOM 273 C LEU A 20 0.978 -8.218 -1.923 1.00 30.52 C ATOM 274 O LEU A 20 -0.237 -8.231 -2.036 1.00 2.45 O ATOM 275 CB LEU A 20 2.385 -9.578 -3.553 1.00 14.04 C ATOM 276 CG LEU A 20 1.292 -10.622 -3.854 1.00 1.01 C ATOM 277 CD1 LEU A 20 1.600 -11.340 -5.174 1.00 54.15 C ATOM 278 CD2 LEU A 20 1.208 -11.660 -2.735 1.00 22.20 C ATOM 0 H LEU A 20 3.811 -7.693 -2.801 1.00 62.43 H new ATOM 0 HA LEU A 20 1.168 -7.885 -4.006 1.00 4.13 H new ATOM 0 HB2 LEU A 20 3.036 -9.483 -4.422 1.00 14.04 H new ATOM 0 HB3 LEU A 20 3.003 -9.937 -2.730 1.00 14.04 H new ATOM 0 HG LEU A 20 0.339 -10.098 -3.928 1.00 1.01 H new ATOM 0 HD11 LEU A 20 0.822 -12.076 -5.378 1.00 54.15 H new ATOM 0 HD12 LEU A 20 1.633 -10.612 -5.985 1.00 54.15 H new ATOM 0 HD13 LEU A 20 2.564 -11.843 -5.098 1.00 54.15 H new ATOM 0 HD21 LEU A 20 0.430 -12.386 -2.970 1.00 22.20 H new ATOM 0 HD22 LEU A 20 2.166 -12.172 -2.641 1.00 22.20 H new ATOM 0 HD23 LEU A 20 0.969 -11.163 -1.795 1.00 22.20 H new ATOM 289 N GLU A 21 1.574 -8.193 -0.733 1.00 32.14 N ATOM 290 CA GLU A 21 0.846 -8.240 0.536 1.00 10.42 C ATOM 291 C GLU A 21 0.293 -6.868 0.966 1.00 5.34 C ATOM 292 O GLU A 21 -0.605 -6.785 1.796 1.00 1.12 O ATOM 293 CB GLU A 21 1.782 -8.827 1.600 1.00 23.12 C ATOM 294 CG GLU A 21 1.949 -10.349 1.449 1.00 30.21 C ATOM 295 CD GLU A 21 0.639 -11.118 1.674 1.00 11.35 C ATOM 296 OE1 GLU A 21 0.186 -11.167 2.839 1.00 74.54 O ATOM 297 OE2 GLU A 21 0.063 -11.672 0.704 1.00 22.34 O ATOM 0 H GLU A 21 2.586 -8.139 -0.620 1.00 32.14 H new ATOM 0 HA GLU A 21 -0.032 -8.874 0.412 1.00 10.42 H new ATOM 0 HB2 GLU A 21 2.758 -8.347 1.528 1.00 23.12 H new ATOM 0 HB3 GLU A 21 1.389 -8.603 2.592 1.00 23.12 H new ATOM 0 HG2 GLU A 21 2.328 -10.571 0.451 1.00 30.21 H new ATOM 0 HG3 GLU A 21 2.697 -10.700 2.160 1.00 30.21 H new ATOM 302 N LEU A 22 0.775 -5.773 0.387 1.00 24.45 N ATOM 303 CA LEU A 22 0.289 -4.424 0.678 1.00 50.21 C ATOM 304 C LEU A 22 -1.104 -4.195 0.113 1.00 63.40 C ATOM 305 O LEU A 22 -1.920 -3.504 0.719 1.00 1.14 O ATOM 306 CB LEU A 22 1.280 -3.415 0.074 1.00 21.21 C ATOM 307 CG LEU A 22 2.264 -2.779 1.070 1.00 2.55 C ATOM 308 CD1 LEU A 22 2.732 -3.672 2.217 1.00 44.43 C ATOM 309 CD2 LEU A 22 3.517 -2.295 0.324 1.00 30.23 C ATOM 0 H LEU A 22 1.523 -5.795 -0.306 1.00 24.45 H new ATOM 0 HA LEU A 22 0.221 -4.295 1.758 1.00 50.21 H new ATOM 0 HB2 LEU A 22 1.853 -3.917 -0.706 1.00 21.21 H new ATOM 0 HB3 LEU A 22 0.713 -2.619 -0.409 1.00 21.21 H new ATOM 0 HG LEU A 22 1.692 -1.969 1.523 1.00 2.55 H new ATOM 0 HD11 LEU A 22 3.421 -3.116 2.853 1.00 44.43 H new ATOM 0 HD12 LEU A 22 1.871 -3.989 2.806 1.00 44.43 H new ATOM 0 HD13 LEU A 22 3.238 -4.549 1.812 1.00 44.43 H new ATOM 0 HD21 LEU A 22 4.212 -1.845 1.033 1.00 30.23 H new ATOM 0 HD22 LEU A 22 3.997 -3.141 -0.167 1.00 30.23 H new ATOM 0 HD23 LEU A 22 3.232 -1.555 -0.424 1.00 30.23 H new ATOM 320 N GLU A 23 -1.384 -4.761 -1.057 1.00 30.52 N ATOM 321 CA GLU A 23 -2.680 -4.620 -1.692 1.00 73.52 C ATOM 322 C GLU A 23 -3.735 -5.543 -1.090 1.00 43.44 C ATOM 323 O GLU A 23 -4.922 -5.384 -1.374 1.00 51.24 O ATOM 324 CB GLU A 23 -2.528 -4.862 -3.189 1.00 54.34 C ATOM 325 CG GLU A 23 -1.959 -6.240 -3.553 1.00 71.42 C ATOM 326 CD GLU A 23 -2.400 -6.599 -4.971 1.00 13.12 C ATOM 327 OE1 GLU A 23 -1.705 -6.231 -5.954 1.00 11.43 O ATOM 328 OE2 GLU A 23 -3.532 -7.114 -5.119 1.00 34.10 O ATOM 0 H GLU A 23 -0.719 -5.326 -1.585 1.00 30.52 H new ATOM 0 HA GLU A 23 -3.036 -3.605 -1.515 1.00 73.52 H new ATOM 0 HB2 GLU A 23 -3.502 -4.747 -3.664 1.00 54.34 H new ATOM 0 HB3 GLU A 23 -1.878 -4.092 -3.605 1.00 54.34 H new ATOM 0 HG2 GLU A 23 -0.871 -6.227 -3.488 1.00 71.42 H new ATOM 0 HG3 GLU A 23 -2.312 -6.992 -2.847 1.00 71.42 H new ATOM 333 N LYS A 24 -3.321 -6.524 -0.295 1.00 34.25 N ATOM 334 CA LYS A 24 -4.197 -7.429 0.431 1.00 51.10 C ATOM 335 C LYS A 24 -4.988 -6.631 1.454 1.00 51.31 C ATOM 336 O LYS A 24 -6.215 -6.596 1.351 1.00 43.31 O ATOM 337 CB LYS A 24 -3.346 -8.535 1.069 1.00 24.14 C ATOM 338 CG LYS A 24 -3.350 -9.849 0.299 1.00 33.35 C ATOM 339 CD LYS A 24 -2.966 -9.686 -1.178 1.00 11.43 C ATOM 340 CE LYS A 24 -2.141 -10.852 -1.730 1.00 34.22 C ATOM 341 NZ LYS A 24 -2.803 -12.160 -1.531 1.00 54.43 N ATOM 0 H LYS A 24 -2.332 -6.715 -0.135 1.00 34.25 H new ATOM 0 HA LYS A 24 -4.915 -7.910 -0.234 1.00 51.10 H new ATOM 0 HB2 LYS A 24 -2.319 -8.182 1.157 1.00 24.14 H new ATOM 0 HB3 LYS A 24 -3.708 -8.719 2.081 1.00 24.14 H new ATOM 0 HG2 LYS A 24 -2.656 -10.543 0.774 1.00 33.35 H new ATOM 0 HG3 LYS A 24 -4.342 -10.297 0.363 1.00 33.35 H new ATOM 0 HD2 LYS A 24 -3.874 -9.582 -1.771 1.00 11.43 H new ATOM 0 HD3 LYS A 24 -2.399 -8.763 -1.298 1.00 11.43 H new ATOM 0 HE2 LYS A 24 -1.965 -10.696 -2.794 1.00 34.22 H new ATOM 0 HE3 LYS A 24 -1.166 -10.865 -1.244 1.00 34.22 H new ATOM 0 HZ1 LYS A 24 -2.229 -12.910 -1.967 1.00 54.43 H new ATOM 0 HZ2 LYS A 24 -2.902 -12.347 -0.513 1.00 54.43 H new ATOM 0 HZ3 LYS A 24 -3.744 -12.144 -1.974 1.00 54.43 H new ATOM 351 N GLU A 25 -4.309 -5.919 2.358 1.00 32.25 N ATOM 352 CA GLU A 25 -4.908 -5.059 3.386 1.00 51.21 C ATOM 353 C GLU A 25 -5.874 -4.028 2.770 1.00 4.22 C ATOM 354 O GLU A 25 -6.808 -3.567 3.430 1.00 33.24 O ATOM 355 CB GLU A 25 -3.761 -4.350 4.137 1.00 10.03 C ATOM 356 CG GLU A 25 -4.184 -3.370 5.253 1.00 2.34 C ATOM 357 CD GLU A 25 -4.716 -3.997 6.549 1.00 3.15 C ATOM 358 OE1 GLU A 25 -4.290 -5.120 6.885 1.00 42.12 O ATOM 359 OE2 GLU A 25 -5.447 -3.293 7.284 1.00 1.43 O ATOM 0 H GLU A 25 -3.290 -5.925 2.396 1.00 32.25 H new ATOM 0 HA GLU A 25 -5.496 -5.667 4.074 1.00 51.21 H new ATOM 0 HB2 GLU A 25 -3.116 -5.111 4.575 1.00 10.03 H new ATOM 0 HB3 GLU A 25 -3.161 -3.803 3.410 1.00 10.03 H new ATOM 0 HG2 GLU A 25 -3.326 -2.746 5.503 1.00 2.34 H new ATOM 0 HG3 GLU A 25 -4.953 -2.709 4.853 1.00 2.34 H new ATOM 364 N PHE A 26 -5.685 -3.656 1.496 1.00 25.42 N ATOM 365 CA PHE A 26 -6.539 -2.670 0.846 1.00 23.25 C ATOM 366 C PHE A 26 -7.969 -3.188 0.689 1.00 74.50 C ATOM 367 O PHE A 26 -8.909 -2.397 0.592 1.00 3.11 O ATOM 368 CB PHE A 26 -5.954 -2.233 -0.508 1.00 64.13 C ATOM 369 CG PHE A 26 -6.573 -0.930 -0.976 1.00 10.34 C ATOM 370 CD1 PHE A 26 -6.100 0.281 -0.444 1.00 51.53 C ATOM 371 CD2 PHE A 26 -7.695 -0.925 -1.829 1.00 31.23 C ATOM 372 CE1 PHE A 26 -6.771 1.483 -0.724 1.00 3.31 C ATOM 373 CE2 PHE A 26 -8.362 0.280 -2.115 1.00 44.43 C ATOM 374 CZ PHE A 26 -7.906 1.480 -1.544 1.00 73.24 C ATOM 0 H PHE A 26 -4.945 -4.028 0.900 1.00 25.42 H new ATOM 0 HA PHE A 26 -6.576 -1.792 1.491 1.00 23.25 H new ATOM 0 HB2 PHE A 26 -4.874 -2.115 -0.420 1.00 64.13 H new ATOM 0 HB3 PHE A 26 -6.130 -3.010 -1.251 1.00 64.13 H new ATOM 0 HD1 PHE A 26 -5.219 0.288 0.181 1.00 51.53 H new ATOM 0 HD2 PHE A 26 -8.044 -1.850 -2.265 1.00 31.23 H new ATOM 0 HE1 PHE A 26 -6.411 2.411 -0.306 1.00 3.31 H new ATOM 0 HE2 PHE A 26 -9.220 0.283 -2.770 1.00 44.43 H new ATOM 0 HZ PHE A 26 -8.432 2.403 -1.738 1.00 73.24 H new ATOM 383 N HIS A 27 -8.150 -4.506 0.650 1.00 25.23 N ATOM 384 CA HIS A 27 -9.438 -5.119 0.392 1.00 14.42 C ATOM 385 C HIS A 27 -10.395 -4.986 1.586 1.00 11.32 C ATOM 386 O HIS A 27 -11.605 -5.056 1.392 1.00 33.44 O ATOM 387 CB HIS A 27 -9.219 -6.570 -0.050 1.00 71.44 C ATOM 388 CG HIS A 27 -10.087 -6.924 -1.226 1.00 71.40 C ATOM 389 ND1 HIS A 27 -9.797 -6.653 -2.546 1.00 3.15 N ATOM 390 CD2 HIS A 27 -11.332 -7.488 -1.182 1.00 4.25 C ATOM 391 CE1 HIS A 27 -10.836 -7.054 -3.289 1.00 33.12 C ATOM 392 NE2 HIS A 27 -11.803 -7.554 -2.500 1.00 61.52 N ATOM 0 H HIS A 27 -7.397 -5.178 0.798 1.00 25.23 H new ATOM 0 HA HIS A 27 -9.935 -4.587 -0.419 1.00 14.42 H new ATOM 0 HB2 HIS A 27 -8.171 -6.718 -0.312 1.00 71.44 H new ATOM 0 HB3 HIS A 27 -9.438 -7.241 0.780 1.00 71.44 H new ATOM 0 HD2 HIS A 27 -11.854 -7.820 -0.297 1.00 4.25 H new ATOM 0 HE1 HIS A 27 -10.890 -6.986 -4.366 1.00 33.12 H new ATOM 0 HE2 HIS A 27 -12.708 -7.913 -2.803 1.00 61.52 H new ATOM 399 N CYS A 28 -9.896 -4.711 2.799 1.00 51.12 N ATOM 400 CA CYS A 28 -10.727 -4.419 3.959 1.00 44.03 C ATOM 401 C CYS A 28 -10.560 -2.953 4.349 1.00 33.13 C ATOM 402 O CYS A 28 -11.491 -2.162 4.177 1.00 31.23 O ATOM 403 CB CYS A 28 -10.486 -5.416 5.107 1.00 25.44 C ATOM 404 SG CYS A 28 -8.787 -5.447 5.748 1.00 10.12 S ATOM 0 H CYS A 28 -8.896 -4.687 2.997 1.00 51.12 H new ATOM 0 HA CYS A 28 -11.777 -4.560 3.702 1.00 44.03 H new ATOM 0 HB2 CYS A 28 -11.164 -5.175 5.926 1.00 25.44 H new ATOM 0 HB3 CYS A 28 -10.747 -6.416 4.761 1.00 25.44 H new ATOM 0 HG CYS A 28 -8.702 -6.318 6.709 1.00 10.12 H new ATOM 409 N LYS A 29 -9.394 -2.582 4.872 1.00 72.34 N ATOM 410 CA LYS A 29 -9.100 -1.267 5.425 1.00 50.31 C ATOM 411 C LYS A 29 -8.967 -0.231 4.324 1.00 63.33 C ATOM 412 O LYS A 29 -8.769 -0.549 3.151 1.00 22.35 O ATOM 413 CB LYS A 29 -7.785 -1.367 6.225 1.00 72.23 C ATOM 414 CG LYS A 29 -7.972 -1.121 7.725 1.00 31.12 C ATOM 415 CD LYS A 29 -8.804 -2.207 8.418 1.00 54.12 C ATOM 416 CE LYS A 29 -8.880 -1.850 9.904 1.00 43.24 C ATOM 417 NZ LYS A 29 -9.589 -2.865 10.701 1.00 51.14 N ATOM 0 H LYS A 29 -8.597 -3.217 4.923 1.00 72.34 H new ATOM 0 HA LYS A 29 -9.917 -0.952 6.074 1.00 50.31 H new ATOM 0 HB2 LYS A 29 -7.351 -2.356 6.077 1.00 72.23 H new ATOM 0 HB3 LYS A 29 -7.071 -0.644 5.831 1.00 72.23 H new ATOM 0 HG2 LYS A 29 -6.993 -1.063 8.202 1.00 31.12 H new ATOM 0 HG3 LYS A 29 -8.455 -0.155 7.870 1.00 31.12 H new ATOM 0 HD2 LYS A 29 -9.803 -2.260 7.985 1.00 54.12 H new ATOM 0 HD3 LYS A 29 -8.346 -3.186 8.282 1.00 54.12 H new ATOM 0 HE2 LYS A 29 -7.870 -1.728 10.295 1.00 43.24 H new ATOM 0 HE3 LYS A 29 -9.384 -0.890 10.017 1.00 43.24 H new ATOM 0 HZ1 LYS A 29 -9.610 -2.571 11.698 1.00 51.14 H new ATOM 0 HZ2 LYS A 29 -10.563 -2.965 10.349 1.00 51.14 H new ATOM 0 HZ3 LYS A 29 -9.096 -3.777 10.619 1.00 51.14 H new ATOM 427 N LYS A 30 -8.961 1.046 4.714 1.00 41.33 N ATOM 428 CA LYS A 30 -8.561 2.134 3.817 1.00 44.50 C ATOM 429 C LYS A 30 -7.398 2.921 4.392 1.00 5.52 C ATOM 430 O LYS A 30 -6.672 3.554 3.629 1.00 33.25 O ATOM 431 CB LYS A 30 -9.767 3.017 3.454 1.00 4.53 C ATOM 432 CG LYS A 30 -10.850 2.226 2.701 1.00 51.32 C ATOM 433 CD LYS A 30 -10.485 1.864 1.253 1.00 25.43 C ATOM 434 CE LYS A 30 -11.309 0.721 0.638 1.00 62.41 C ATOM 435 NZ LYS A 30 -12.698 0.573 1.128 1.00 53.24 N ATOM 0 H LYS A 30 -9.230 1.353 5.649 1.00 41.33 H new ATOM 0 HA LYS A 30 -8.202 1.701 2.884 1.00 44.50 H new ATOM 0 HB2 LYS A 30 -10.193 3.441 4.363 1.00 4.53 H new ATOM 0 HB3 LYS A 30 -9.433 3.852 2.838 1.00 4.53 H new ATOM 0 HG2 LYS A 30 -11.059 1.308 3.250 1.00 51.32 H new ATOM 0 HG3 LYS A 30 -11.770 2.810 2.695 1.00 51.32 H new ATOM 0 HD2 LYS A 30 -10.604 2.752 0.632 1.00 25.43 H new ATOM 0 HD3 LYS A 30 -9.431 1.590 1.218 1.00 25.43 H new ATOM 0 HE2 LYS A 30 -11.341 0.866 -0.442 1.00 62.41 H new ATOM 0 HE3 LYS A 30 -10.782 -0.216 0.818 1.00 62.41 H new ATOM 0 HZ1 LYS A 30 -13.170 -0.194 0.608 1.00 53.24 H new ATOM 0 HZ2 LYS A 30 -12.686 0.347 2.143 1.00 53.24 H new ATOM 0 HZ3 LYS A 30 -13.216 1.462 0.978 1.00 53.24 H new ATOM 445 N TYR A 31 -7.179 2.900 5.702 1.00 50.11 N ATOM 446 CA TYR A 31 -6.047 3.547 6.346 1.00 4.44 C ATOM 447 C TYR A 31 -5.866 2.870 7.699 1.00 61.23 C ATOM 448 O TYR A 31 -6.855 2.570 8.377 1.00 41.34 O ATOM 449 CB TYR A 31 -6.296 5.062 6.486 1.00 64.34 C ATOM 450 CG TYR A 31 -7.656 5.447 7.040 1.00 72.02 C ATOM 451 CD1 TYR A 31 -8.783 5.520 6.196 1.00 33.42 C ATOM 452 CD2 TYR A 31 -7.801 5.687 8.416 1.00 31.01 C ATOM 453 CE1 TYR A 31 -10.063 5.755 6.727 1.00 65.14 C ATOM 454 CE2 TYR A 31 -9.070 5.956 8.949 1.00 42.53 C ATOM 455 CZ TYR A 31 -10.210 5.951 8.117 1.00 61.44 C ATOM 456 OH TYR A 31 -11.440 6.148 8.664 1.00 45.21 O ATOM 0 H TYR A 31 -7.798 2.422 6.357 1.00 50.11 H new ATOM 0 HA TYR A 31 -5.138 3.444 5.753 1.00 4.44 H new ATOM 0 HB2 TYR A 31 -5.526 5.482 7.133 1.00 64.34 H new ATOM 0 HB3 TYR A 31 -6.176 5.525 5.507 1.00 64.34 H new ATOM 0 HD1 TYR A 31 -8.661 5.394 5.130 1.00 33.42 H new ATOM 0 HD2 TYR A 31 -6.936 5.664 9.063 1.00 31.01 H new ATOM 0 HE1 TYR A 31 -10.926 5.785 6.078 1.00 65.14 H new ATOM 0 HE2 TYR A 31 -9.176 6.168 10.003 1.00 42.53 H new ATOM 0 HH TYR A 31 -11.352 6.264 9.633 1.00 45.21 H new ATOM 465 N LEU A 32 -4.617 2.592 8.067 1.00 30.43 N ATOM 466 CA LEU A 32 -4.262 2.026 9.348 1.00 2.21 C ATOM 467 C LEU A 32 -4.256 3.122 10.399 1.00 2.14 C ATOM 468 O LEU A 32 -3.867 4.265 10.130 1.00 44.33 O ATOM 469 CB LEU A 32 -2.865 1.402 9.254 1.00 64.00 C ATOM 470 CG LEU A 32 -2.699 0.233 8.267 1.00 50.32 C ATOM 471 CD1 LEU A 32 -3.902 -0.704 8.217 1.00 52.52 C ATOM 472 CD2 LEU A 32 -2.337 0.665 6.851 1.00 4.25 C ATOM 0 H LEU A 32 -3.813 2.761 7.463 1.00 30.43 H new ATOM 0 HA LEU A 32 -4.987 1.261 9.625 1.00 2.21 H new ATOM 0 HB2 LEU A 32 -2.160 2.185 8.976 1.00 64.00 H new ATOM 0 HB3 LEU A 32 -2.580 1.053 10.247 1.00 64.00 H new ATOM 0 HG LEU A 32 -1.853 -0.318 8.679 1.00 50.32 H new ATOM 0 HD11 LEU A 32 -3.712 -1.503 7.500 1.00 52.52 H new ATOM 0 HD12 LEU A 32 -4.069 -1.135 9.204 1.00 52.52 H new ATOM 0 HD13 LEU A 32 -4.786 -0.145 7.911 1.00 52.52 H new ATOM 0 HD21 LEU A 32 -2.238 -0.215 6.216 1.00 4.25 H new ATOM 0 HD22 LEU A 32 -3.121 1.311 6.456 1.00 4.25 H new ATOM 0 HD23 LEU A 32 -1.393 1.209 6.867 1.00 4.25 H new ATOM 483 N SER A 33 -4.623 2.745 11.617 1.00 54.31 N ATOM 484 CA SER A 33 -4.346 3.546 12.793 1.00 42.43 C ATOM 485 C SER A 33 -2.850 3.456 13.121 1.00 62.02 C ATOM 486 O SER A 33 -2.123 2.683 12.499 1.00 23.11 O ATOM 487 CB SER A 33 -5.221 3.044 13.943 1.00 64.22 C ATOM 488 OG SER A 33 -5.578 4.154 14.746 1.00 11.12 O ATOM 0 H SER A 33 -5.120 1.876 11.813 1.00 54.31 H new ATOM 0 HA SER A 33 -4.583 4.596 12.621 1.00 42.43 H new ATOM 0 HB2 SER A 33 -6.114 2.553 13.555 1.00 64.22 H new ATOM 0 HB3 SER A 33 -4.682 2.304 14.535 1.00 64.22 H new ATOM 0 HG SER A 33 -6.141 3.853 15.489 1.00 11.12 H new ATOM 493 N LEU A 34 -2.394 4.206 14.128 1.00 64.03 N ATOM 494 CA LEU A 34 -1.029 4.126 14.658 1.00 3.11 C ATOM 495 C LEU A 34 -0.674 2.681 14.992 1.00 11.44 C ATOM 496 O LEU A 34 0.318 2.138 14.505 1.00 71.12 O ATOM 497 CB LEU A 34 -0.909 5.021 15.905 1.00 41.53 C ATOM 498 CG LEU A 34 -0.517 6.467 15.548 1.00 74.34 C ATOM 499 CD1 LEU A 34 -1.163 7.462 16.518 1.00 2.42 C ATOM 500 CD2 LEU A 34 1.006 6.635 15.576 1.00 61.13 C ATOM 0 H LEU A 34 -2.972 4.897 14.606 1.00 64.03 H new ATOM 0 HA LEU A 34 -0.327 4.479 13.902 1.00 3.11 H new ATOM 0 HB2 LEU A 34 -1.859 5.025 16.440 1.00 41.53 H new ATOM 0 HB3 LEU A 34 -0.164 4.601 16.581 1.00 41.53 H new ATOM 0 HG LEU A 34 -0.879 6.672 14.541 1.00 74.34 H new ATOM 0 HD11 LEU A 34 -0.872 8.477 16.246 1.00 2.42 H new ATOM 0 HD12 LEU A 34 -2.248 7.369 16.465 1.00 2.42 H new ATOM 0 HD13 LEU A 34 -0.830 7.249 17.534 1.00 2.42 H new ATOM 0 HD21 LEU A 34 1.263 7.663 15.321 1.00 61.13 H new ATOM 0 HD22 LEU A 34 1.379 6.404 16.574 1.00 61.13 H new ATOM 0 HD23 LEU A 34 1.460 5.957 14.853 1.00 61.13 H new ATOM 511 N THR A 35 -1.539 2.055 15.785 1.00 70.21 N ATOM 512 CA THR A 35 -1.363 0.723 16.333 1.00 63.20 C ATOM 513 C THR A 35 -1.160 -0.291 15.200 1.00 52.51 C ATOM 514 O THR A 35 -0.264 -1.128 15.288 1.00 70.43 O ATOM 515 CB THR A 35 -2.603 0.375 17.185 1.00 45.51 C ATOM 516 OG1 THR A 35 -3.223 1.529 17.733 1.00 53.54 O ATOM 517 CG2 THR A 35 -2.271 -0.571 18.342 1.00 31.25 C ATOM 0 H THR A 35 -2.418 2.485 16.073 1.00 70.21 H new ATOM 0 HA THR A 35 -0.476 0.688 16.965 1.00 63.20 H new ATOM 0 HB THR A 35 -3.287 -0.117 16.493 1.00 45.51 H new ATOM 0 HG1 THR A 35 -4.003 1.261 18.262 1.00 53.54 H new ATOM 0 HG21 THR A 35 -3.177 -0.784 18.909 1.00 31.25 H new ATOM 0 HG22 THR A 35 -1.864 -1.501 17.946 1.00 31.25 H new ATOM 0 HG23 THR A 35 -1.535 -0.102 18.996 1.00 31.25 H new ATOM 525 N GLU A 36 -1.988 -0.189 14.154 1.00 63.00 N ATOM 526 CA GLU A 36 -2.056 -1.080 13.001 1.00 12.14 C ATOM 527 C GLU A 36 -0.898 -0.850 12.037 1.00 43.43 C ATOM 528 O GLU A 36 -0.284 -1.792 11.543 1.00 32.35 O ATOM 529 CB GLU A 36 -3.393 -0.844 12.283 1.00 53.22 C ATOM 530 CG GLU A 36 -4.566 -1.523 12.996 1.00 24.21 C ATOM 531 CD GLU A 36 -4.468 -3.058 13.050 1.00 71.32 C ATOM 532 OE1 GLU A 36 -3.599 -3.671 12.398 1.00 2.02 O ATOM 533 OE2 GLU A 36 -5.275 -3.671 13.785 1.00 10.05 O ATOM 0 H GLU A 36 -2.669 0.567 14.091 1.00 63.00 H new ATOM 0 HA GLU A 36 -1.984 -2.110 13.349 1.00 12.14 H new ATOM 0 HB2 GLU A 36 -3.583 0.227 12.217 1.00 53.22 H new ATOM 0 HB3 GLU A 36 -3.325 -1.220 11.262 1.00 53.22 H new ATOM 0 HG2 GLU A 36 -4.630 -1.138 14.014 1.00 24.21 H new ATOM 0 HG3 GLU A 36 -5.492 -1.247 12.492 1.00 24.21 H new ATOM 538 N ARG A 37 -0.561 0.415 11.781 1.00 43.33 N ATOM 539 CA ARG A 37 0.526 0.781 10.887 1.00 74.14 C ATOM 540 C ARG A 37 1.831 0.187 11.401 1.00 22.45 C ATOM 541 O ARG A 37 2.615 -0.330 10.609 1.00 41.41 O ATOM 542 CB ARG A 37 0.569 2.310 10.798 1.00 62.24 C ATOM 543 CG ARG A 37 1.608 2.819 9.795 1.00 41.52 C ATOM 544 CD ARG A 37 1.425 4.320 9.562 1.00 3.51 C ATOM 545 NE ARG A 37 1.560 5.094 10.806 1.00 54.40 N ATOM 546 CZ ARG A 37 0.704 5.980 11.316 1.00 51.44 C ATOM 547 NH1 ARG A 37 -0.517 6.152 10.814 1.00 14.51 N ATOM 548 NH2 ARG A 37 1.112 6.704 12.339 1.00 44.53 N ATOM 0 H ARG A 37 -1.041 1.215 12.193 1.00 43.33 H new ATOM 0 HA ARG A 37 0.372 0.382 9.885 1.00 74.14 H new ATOM 0 HB2 ARG A 37 -0.416 2.680 10.513 1.00 62.24 H new ATOM 0 HB3 ARG A 37 0.791 2.720 11.783 1.00 62.24 H new ATOM 0 HG2 ARG A 37 2.613 2.621 10.169 1.00 41.52 H new ATOM 0 HG3 ARG A 37 1.507 2.282 8.852 1.00 41.52 H new ATOM 0 HD2 ARG A 37 2.163 4.667 8.838 1.00 3.51 H new ATOM 0 HD3 ARG A 37 0.442 4.502 9.127 1.00 3.51 H new ATOM 0 HE ARG A 37 2.412 4.933 11.344 1.00 54.40 H new ATOM 0 HH11 ARG A 37 -0.823 5.597 10.015 1.00 14.51 H new ATOM 0 HH12 ARG A 37 -1.147 6.839 11.229 1.00 14.51 H new ATOM 0 HH21 ARG A 37 2.053 6.575 12.712 1.00 44.53 H new ATOM 0 HH22 ARG A 37 0.487 7.393 12.758 1.00 44.53 H new ATOM 559 N SER A 38 2.033 0.228 12.716 1.00 21.32 N ATOM 560 CA SER A 38 3.163 -0.378 13.390 1.00 21.12 C ATOM 561 C SER A 38 3.184 -1.909 13.228 1.00 63.14 C ATOM 562 O SER A 38 4.266 -2.501 13.260 1.00 24.15 O ATOM 563 CB SER A 38 3.062 0.037 14.860 1.00 45.13 C ATOM 564 OG SER A 38 4.229 -0.264 15.590 1.00 51.44 O ATOM 0 H SER A 38 1.392 0.699 13.355 1.00 21.32 H new ATOM 0 HA SER A 38 4.100 -0.035 12.951 1.00 21.12 H new ATOM 0 HB2 SER A 38 2.867 1.108 14.919 1.00 45.13 H new ATOM 0 HB3 SER A 38 2.211 -0.467 15.318 1.00 45.13 H new ATOM 0 HG SER A 38 4.115 0.021 16.521 1.00 51.44 H new ATOM 569 N GLN A 39 2.030 -2.565 13.067 1.00 61.41 N ATOM 570 CA GLN A 39 1.953 -4.016 12.920 1.00 32.14 C ATOM 571 C GLN A 39 2.443 -4.384 11.530 1.00 22.35 C ATOM 572 O GLN A 39 3.462 -5.055 11.408 1.00 3.23 O ATOM 573 CB GLN A 39 0.537 -4.555 13.203 1.00 31.43 C ATOM 574 CG GLN A 39 -0.003 -4.071 14.559 1.00 30.31 C ATOM 575 CD GLN A 39 -0.524 -5.178 15.454 1.00 5.15 C ATOM 576 OE1 GLN A 39 -1.396 -5.951 15.081 1.00 34.55 O ATOM 577 NE2 GLN A 39 -0.019 -5.249 16.676 1.00 52.34 N ATOM 0 H GLN A 39 1.123 -2.100 13.035 1.00 61.41 H new ATOM 0 HA GLN A 39 2.594 -4.490 13.664 1.00 32.14 H new ATOM 0 HB2 GLN A 39 -0.138 -4.235 12.409 1.00 31.43 H new ATOM 0 HB3 GLN A 39 0.554 -5.645 13.188 1.00 31.43 H new ATOM 0 HG2 GLN A 39 0.790 -3.539 15.084 1.00 30.31 H new ATOM 0 HG3 GLN A 39 -0.805 -3.354 14.383 1.00 30.31 H new ATOM 0 HE21 GLN A 39 0.707 -4.595 16.966 1.00 52.34 H new ATOM 0 HE22 GLN A 39 -0.356 -5.958 17.327 1.00 52.34 H new ATOM 584 N ILE A 40 1.780 -3.873 10.489 1.00 10.41 N ATOM 585 CA ILE A 40 2.122 -4.155 9.097 1.00 65.43 C ATOM 586 C ILE A 40 3.578 -3.748 8.826 1.00 14.42 C ATOM 587 O ILE A 40 4.289 -4.447 8.105 1.00 25.22 O ATOM 588 CB ILE A 40 1.106 -3.470 8.152 1.00 14.14 C ATOM 589 CG1 ILE A 40 -0.320 -3.977 8.483 1.00 4.23 C ATOM 590 CG2 ILE A 40 1.452 -3.721 6.670 1.00 1.25 C ATOM 591 CD1 ILE A 40 -1.413 -3.414 7.578 1.00 42.30 C ATOM 0 H ILE A 40 0.983 -3.245 10.593 1.00 10.41 H new ATOM 0 HA ILE A 40 2.054 -5.225 8.900 1.00 65.43 H new ATOM 0 HB ILE A 40 1.152 -2.392 8.310 1.00 14.14 H new ATOM 0 HG12 ILE A 40 -0.331 -5.065 8.413 1.00 4.23 H new ATOM 0 HG13 ILE A 40 -0.553 -3.721 9.517 1.00 4.23 H new ATOM 0 HG21 ILE A 40 0.717 -3.225 6.036 1.00 1.25 H new ATOM 0 HG22 ILE A 40 2.444 -3.323 6.456 1.00 1.25 H new ATOM 0 HG23 ILE A 40 1.440 -4.792 6.470 1.00 1.25 H new ATOM 0 HD11 ILE A 40 -2.379 -3.820 7.878 1.00 42.30 H new ATOM 0 HD12 ILE A 40 -1.433 -2.328 7.664 1.00 42.30 H new ATOM 0 HD13 ILE A 40 -1.208 -3.692 6.544 1.00 42.30 H new ATOM 602 N ALA A 41 4.048 -2.653 9.440 1.00 70.01 N ATOM 603 CA ALA A 41 5.442 -2.254 9.367 1.00 5.31 C ATOM 604 C ALA A 41 6.353 -3.398 9.817 1.00 61.10 C ATOM 605 O ALA A 41 7.208 -3.835 9.048 1.00 31.01 O ATOM 606 CB ALA A 41 5.689 -0.970 10.169 1.00 11.51 C ATOM 0 H ALA A 41 3.466 -2.027 9.997 1.00 70.01 H new ATOM 0 HA ALA A 41 5.686 -2.032 8.328 1.00 5.31 H new ATOM 0 HB1 ALA A 41 6.741 -0.693 10.098 1.00 11.51 H new ATOM 0 HB2 ALA A 41 5.074 -0.165 9.766 1.00 11.51 H new ATOM 0 HB3 ALA A 41 5.428 -1.138 11.214 1.00 11.51 H new ATOM 612 N HIS A 42 6.189 -3.885 11.047 1.00 50.13 N ATOM 613 CA HIS A 42 7.059 -4.915 11.607 1.00 31.23 C ATOM 614 C HIS A 42 6.880 -6.261 10.890 1.00 41.00 C ATOM 615 O HIS A 42 7.868 -6.966 10.662 1.00 74.43 O ATOM 616 CB HIS A 42 6.799 -5.032 13.115 1.00 63.22 C ATOM 617 CG HIS A 42 7.476 -3.954 13.924 1.00 45.24 C ATOM 618 ND1 HIS A 42 8.327 -4.163 14.986 1.00 65.44 N ATOM 619 CD2 HIS A 42 7.420 -2.605 13.700 1.00 22.45 C ATOM 620 CE1 HIS A 42 8.779 -2.969 15.391 1.00 12.12 C ATOM 621 NE2 HIS A 42 8.245 -1.977 14.645 1.00 62.04 N ATOM 0 H HIS A 42 5.451 -3.577 11.680 1.00 50.13 H new ATOM 0 HA HIS A 42 8.098 -4.624 11.451 1.00 31.23 H new ATOM 0 HB2 HIS A 42 5.725 -4.991 13.295 1.00 63.22 H new ATOM 0 HB3 HIS A 42 7.143 -6.006 13.461 1.00 63.22 H new ATOM 0 HD2 HIS A 42 6.843 -2.111 12.932 1.00 22.45 H new ATOM 0 HE1 HIS A 42 9.475 -2.820 16.203 1.00 12.12 H new ATOM 0 HE2 HIS A 42 8.408 -0.975 14.748 1.00 62.04 H new ATOM 628 N ALA A 43 5.653 -6.602 10.489 1.00 11.13 N ATOM 629 CA ALA A 43 5.328 -7.822 9.761 1.00 5.24 C ATOM 630 C ALA A 43 6.066 -7.885 8.425 1.00 61.43 C ATOM 631 O ALA A 43 6.542 -8.951 8.015 1.00 53.22 O ATOM 632 CB ALA A 43 3.815 -7.893 9.536 1.00 53.10 C ATOM 0 H ALA A 43 4.837 -6.017 10.669 1.00 11.13 H new ATOM 0 HA ALA A 43 5.649 -8.677 10.356 1.00 5.24 H new ATOM 0 HB1 ALA A 43 3.571 -8.805 8.992 1.00 53.10 H new ATOM 0 HB2 ALA A 43 3.304 -7.897 10.499 1.00 53.10 H new ATOM 0 HB3 ALA A 43 3.492 -7.027 8.957 1.00 53.10 H new ATOM 638 N LEU A 44 6.200 -6.742 7.748 1.00 1.12 N ATOM 639 CA LEU A 44 6.744 -6.656 6.404 1.00 23.22 C ATOM 640 C LEU A 44 8.051 -5.875 6.350 1.00 45.34 C ATOM 641 O LEU A 44 8.377 -5.379 5.283 1.00 24.43 O ATOM 642 CB LEU A 44 5.723 -6.029 5.447 1.00 34.22 C ATOM 643 CG LEU A 44 4.407 -6.785 5.233 1.00 21.43 C ATOM 644 CD1 LEU A 44 3.617 -5.940 4.245 1.00 24.43 C ATOM 645 CD2 LEU A 44 4.628 -8.171 4.614 1.00 44.41 C ATOM 0 H LEU A 44 5.926 -5.837 8.132 1.00 1.12 H new ATOM 0 HA LEU A 44 6.960 -7.677 6.089 1.00 23.22 H new ATOM 0 HB2 LEU A 44 5.483 -5.031 5.815 1.00 34.22 H new ATOM 0 HB3 LEU A 44 6.202 -5.904 4.476 1.00 34.22 H new ATOM 0 HG LEU A 44 3.902 -6.937 6.187 1.00 21.43 H new ATOM 0 HD11 LEU A 44 2.659 -6.418 4.042 1.00 24.43 H new ATOM 0 HD12 LEU A 44 3.446 -4.950 4.668 1.00 24.43 H new ATOM 0 HD13 LEU A 44 4.180 -5.845 3.316 1.00 24.43 H new ATOM 0 HD21 LEU A 44 3.667 -8.668 4.482 1.00 44.41 H new ATOM 0 HD22 LEU A 44 5.117 -8.063 3.646 1.00 44.41 H new ATOM 0 HD23 LEU A 44 5.257 -8.768 5.274 1.00 44.41 H new ATOM 656 N LYS A 45 8.822 -5.742 7.430 1.00 32.05 N ATOM 657 CA LYS A 45 10.107 -5.023 7.455 1.00 31.35 C ATOM 658 C LYS A 45 10.065 -3.575 6.932 1.00 33.34 C ATOM 659 O LYS A 45 11.064 -3.081 6.405 1.00 43.34 O ATOM 660 CB LYS A 45 11.233 -5.865 6.818 1.00 71.24 C ATOM 661 CG LYS A 45 11.272 -5.965 5.279 1.00 42.50 C ATOM 662 CD LYS A 45 12.695 -6.012 4.716 1.00 52.33 C ATOM 663 CE LYS A 45 13.330 -4.625 4.874 1.00 25.03 C ATOM 664 NZ LYS A 45 14.733 -4.596 4.435 1.00 31.33 N ATOM 0 H LYS A 45 8.569 -6.138 8.335 1.00 32.05 H new ATOM 0 HA LYS A 45 10.341 -4.895 8.512 1.00 31.35 H new ATOM 0 HB2 LYS A 45 12.187 -5.456 7.152 1.00 71.24 H new ATOM 0 HB3 LYS A 45 11.162 -6.877 7.218 1.00 71.24 H new ATOM 0 HG2 LYS A 45 10.734 -6.859 4.965 1.00 42.50 H new ATOM 0 HG3 LYS A 45 10.747 -5.111 4.852 1.00 42.50 H new ATOM 0 HD2 LYS A 45 13.286 -6.761 5.243 1.00 52.33 H new ATOM 0 HD3 LYS A 45 12.677 -6.302 3.666 1.00 52.33 H new ATOM 0 HE2 LYS A 45 12.757 -3.899 4.298 1.00 25.03 H new ATOM 0 HE3 LYS A 45 13.273 -4.319 5.919 1.00 25.03 H new ATOM 0 HZ1 LYS A 45 15.117 -3.638 4.562 1.00 31.33 H new ATOM 0 HZ2 LYS A 45 15.288 -5.269 5.001 1.00 31.33 H new ATOM 0 HZ3 LYS A 45 14.788 -4.861 3.431 1.00 31.33 H new ATOM 674 N LEU A 46 8.918 -2.905 7.017 1.00 31.31 N ATOM 675 CA LEU A 46 8.732 -1.507 6.671 1.00 2.54 C ATOM 676 C LEU A 46 8.820 -0.671 7.947 1.00 61.40 C ATOM 677 O LEU A 46 9.090 -1.156 9.043 1.00 54.52 O ATOM 678 CB LEU A 46 7.388 -1.334 5.934 1.00 43.22 C ATOM 679 CG LEU A 46 7.383 -1.953 4.530 1.00 72.40 C ATOM 680 CD1 LEU A 46 5.964 -2.010 3.958 1.00 14.44 C ATOM 681 CD2 LEU A 46 8.288 -1.226 3.530 1.00 50.33 C ATOM 0 H LEU A 46 8.058 -3.346 7.344 1.00 31.31 H new ATOM 0 HA LEU A 46 9.512 -1.162 5.993 1.00 2.54 H new ATOM 0 HB2 LEU A 46 6.595 -1.789 6.527 1.00 43.22 H new ATOM 0 HB3 LEU A 46 7.158 -0.271 5.856 1.00 43.22 H new ATOM 0 HG LEU A 46 7.781 -2.959 4.663 1.00 72.40 H new ATOM 0 HD11 LEU A 46 5.991 -2.453 2.962 1.00 14.44 H new ATOM 0 HD12 LEU A 46 5.334 -2.616 4.608 1.00 14.44 H new ATOM 0 HD13 LEU A 46 5.556 -1.001 3.895 1.00 14.44 H new ATOM 0 HD21 LEU A 46 8.231 -1.722 2.561 1.00 50.33 H new ATOM 0 HD22 LEU A 46 7.960 -0.191 3.428 1.00 50.33 H new ATOM 0 HD23 LEU A 46 9.317 -1.247 3.889 1.00 50.33 H new ATOM 692 N SER A 47 8.616 0.624 7.783 1.00 41.14 N ATOM 693 CA SER A 47 8.590 1.623 8.848 1.00 34.31 C ATOM 694 C SER A 47 7.311 2.437 8.678 1.00 13.14 C ATOM 695 O SER A 47 6.711 2.378 7.605 1.00 32.13 O ATOM 696 CB SER A 47 9.846 2.492 8.749 1.00 21.31 C ATOM 697 OG SER A 47 11.010 1.685 8.773 1.00 63.03 O ATOM 0 H SER A 47 8.456 1.032 6.862 1.00 41.14 H new ATOM 0 HA SER A 47 8.590 1.167 9.838 1.00 34.31 H new ATOM 0 HB2 SER A 47 9.820 3.076 7.829 1.00 21.31 H new ATOM 0 HB3 SER A 47 9.871 3.201 9.576 1.00 21.31 H new ATOM 0 HG SER A 47 11.805 2.255 8.707 1.00 63.03 H new ATOM 702 N GLU A 48 6.882 3.214 9.679 1.00 70.44 N ATOM 703 CA GLU A 48 5.557 3.841 9.655 1.00 45.33 C ATOM 704 C GLU A 48 5.362 4.707 8.411 1.00 70.31 C ATOM 705 O GLU A 48 4.324 4.631 7.762 1.00 65.22 O ATOM 706 CB GLU A 48 5.319 4.694 10.903 1.00 52.31 C ATOM 707 CG GLU A 48 5.086 3.862 12.174 1.00 31.22 C ATOM 708 CD GLU A 48 4.454 4.725 13.263 1.00 61.02 C ATOM 709 OE1 GLU A 48 3.338 5.233 13.012 1.00 33.24 O ATOM 710 OE2 GLU A 48 5.070 4.894 14.345 1.00 42.43 O ATOM 0 H GLU A 48 7.431 3.423 10.513 1.00 70.44 H new ATOM 0 HA GLU A 48 4.832 3.027 9.634 1.00 45.33 H new ATOM 0 HB2 GLU A 48 6.178 5.347 11.057 1.00 52.31 H new ATOM 0 HB3 GLU A 48 4.455 5.338 10.735 1.00 52.31 H new ATOM 0 HG2 GLU A 48 4.437 3.015 11.949 1.00 31.22 H new ATOM 0 HG3 GLU A 48 6.032 3.453 12.528 1.00 31.22 H new ATOM 715 N VAL A 49 6.386 5.473 8.050 1.00 21.33 N ATOM 716 CA VAL A 49 6.498 6.271 6.837 1.00 75.21 C ATOM 717 C VAL A 49 6.322 5.371 5.621 1.00 15.42 C ATOM 718 O VAL A 49 5.420 5.591 4.812 1.00 51.31 O ATOM 719 CB VAL A 49 7.873 6.970 6.882 1.00 52.12 C ATOM 720 CG1 VAL A 49 8.337 7.538 5.538 1.00 2.42 C ATOM 721 CG2 VAL A 49 7.812 8.119 7.897 1.00 74.31 C ATOM 0 H VAL A 49 7.215 5.558 8.638 1.00 21.33 H new ATOM 0 HA VAL A 49 5.722 7.033 6.766 1.00 75.21 H new ATOM 0 HB VAL A 49 8.595 6.203 7.164 1.00 52.12 H new ATOM 0 HG11 VAL A 49 9.311 8.011 5.660 1.00 2.42 H new ATOM 0 HG12 VAL A 49 8.414 6.731 4.809 1.00 2.42 H new ATOM 0 HG13 VAL A 49 7.616 8.276 5.187 1.00 2.42 H new ATOM 0 HG21 VAL A 49 8.779 8.621 7.937 1.00 74.31 H new ATOM 0 HG22 VAL A 49 7.046 8.832 7.594 1.00 74.31 H new ATOM 0 HG23 VAL A 49 7.568 7.722 8.882 1.00 74.31 H new ATOM 731 N GLN A 50 7.153 4.337 5.502 1.00 32.44 N ATOM 732 CA GLN A 50 7.150 3.454 4.353 1.00 64.10 C ATOM 733 C GLN A 50 5.874 2.611 4.257 1.00 55.30 C ATOM 734 O GLN A 50 5.692 1.966 3.226 1.00 1.42 O ATOM 735 CB GLN A 50 8.337 2.496 4.417 1.00 15.22 C ATOM 736 CG GLN A 50 9.700 3.176 4.556 1.00 44.52 C ATOM 737 CD GLN A 50 10.636 2.738 3.440 1.00 14.43 C ATOM 738 OE1 GLN A 50 10.580 3.230 2.315 1.00 51.22 O ATOM 739 NE2 GLN A 50 11.487 1.787 3.728 1.00 2.22 N ATOM 0 H GLN A 50 7.848 4.093 6.207 1.00 32.44 H new ATOM 0 HA GLN A 50 7.210 4.099 3.476 1.00 64.10 H new ATOM 0 HB2 GLN A 50 8.196 1.820 5.260 1.00 15.22 H new ATOM 0 HB3 GLN A 50 8.342 1.884 3.515 1.00 15.22 H new ATOM 0 HG2 GLN A 50 9.576 4.259 4.530 1.00 44.52 H new ATOM 0 HG3 GLN A 50 10.138 2.929 5.523 1.00 44.52 H new ATOM 0 HE21 GLN A 50 11.514 1.395 4.669 1.00 2.22 H new ATOM 0 HE22 GLN A 50 12.123 1.438 3.011 1.00 2.22 H new ATOM 746 N VAL A 51 5.001 2.597 5.270 1.00 74.03 N ATOM 747 CA VAL A 51 3.636 2.085 5.103 1.00 43.43 C ATOM 748 C VAL A 51 2.688 3.238 4.739 1.00 62.01 C ATOM 749 O VAL A 51 1.855 3.127 3.839 1.00 45.42 O ATOM 750 CB VAL A 51 3.169 1.276 6.334 1.00 50.50 C ATOM 751 CG1 VAL A 51 1.833 0.568 6.050 1.00 5.23 C ATOM 752 CG2 VAL A 51 4.159 0.176 6.748 1.00 1.44 C ATOM 0 H VAL A 51 5.213 2.932 6.210 1.00 74.03 H new ATOM 0 HA VAL A 51 3.622 1.377 4.275 1.00 43.43 H new ATOM 0 HB VAL A 51 3.081 2.010 7.135 1.00 50.50 H new ATOM 0 HG11 VAL A 51 1.525 0.005 6.931 1.00 5.23 H new ATOM 0 HG12 VAL A 51 1.072 1.310 5.809 1.00 5.23 H new ATOM 0 HG13 VAL A 51 1.954 -0.114 5.208 1.00 5.23 H new ATOM 0 HG21 VAL A 51 3.771 -0.354 7.618 1.00 1.44 H new ATOM 0 HG22 VAL A 51 4.289 -0.526 5.924 1.00 1.44 H new ATOM 0 HG23 VAL A 51 5.120 0.626 6.996 1.00 1.44 H new ATOM 762 N LYS A 52 2.790 4.371 5.431 1.00 41.14 N ATOM 763 CA LYS A 52 1.931 5.534 5.253 1.00 13.41 C ATOM 764 C LYS A 52 1.892 5.997 3.802 1.00 14.41 C ATOM 765 O LYS A 52 0.792 6.192 3.285 1.00 44.41 O ATOM 766 CB LYS A 52 2.374 6.623 6.235 1.00 44.52 C ATOM 767 CG LYS A 52 1.707 7.980 5.998 1.00 13.41 C ATOM 768 CD LYS A 52 1.849 8.851 7.252 1.00 63.42 C ATOM 769 CE LYS A 52 1.954 10.322 6.853 1.00 44.51 C ATOM 770 NZ LYS A 52 1.704 11.222 7.997 1.00 60.02 N ATOM 0 H LYS A 52 3.497 4.507 6.154 1.00 41.14 H new ATOM 0 HA LYS A 52 0.898 5.272 5.482 1.00 13.41 H new ATOM 0 HB2 LYS A 52 2.155 6.294 7.251 1.00 44.52 H new ATOM 0 HB3 LYS A 52 3.455 6.743 6.165 1.00 44.52 H new ATOM 0 HG2 LYS A 52 2.166 8.478 5.144 1.00 13.41 H new ATOM 0 HG3 LYS A 52 0.653 7.841 5.757 1.00 13.41 H new ATOM 0 HD2 LYS A 52 0.991 8.703 7.907 1.00 63.42 H new ATOM 0 HD3 LYS A 52 2.734 8.553 7.814 1.00 63.42 H new ATOM 0 HE2 LYS A 52 2.946 10.518 6.447 1.00 44.51 H new ATOM 0 HE3 LYS A 52 1.237 10.535 6.060 1.00 44.51 H new ATOM 0 HZ1 LYS A 52 1.785 12.211 7.685 1.00 60.02 H new ATOM 0 HZ2 LYS A 52 0.748 11.053 8.369 1.00 60.02 H new ATOM 0 HZ3 LYS A 52 2.404 11.037 8.744 1.00 60.02 H new ATOM 780 N ILE A 53 3.044 6.196 3.162 1.00 32.42 N ATOM 781 CA ILE A 53 3.136 6.757 1.813 1.00 11.53 C ATOM 782 C ILE A 53 2.436 5.823 0.805 1.00 3.12 C ATOM 783 O ILE A 53 1.682 6.309 -0.041 1.00 22.04 O ATOM 784 CB ILE A 53 4.626 7.059 1.483 1.00 74.00 C ATOM 785 CG1 ILE A 53 5.254 8.034 2.507 1.00 23.35 C ATOM 786 CG2 ILE A 53 4.796 7.604 0.056 1.00 51.43 C ATOM 787 CD1 ILE A 53 6.721 8.399 2.249 1.00 20.25 C ATOM 0 H ILE A 53 3.951 5.970 3.570 1.00 32.42 H new ATOM 0 HA ILE A 53 2.608 7.708 1.746 1.00 11.53 H new ATOM 0 HB ILE A 53 5.156 6.109 1.548 1.00 74.00 H new ATOM 0 HG12 ILE A 53 4.665 8.951 2.519 1.00 23.35 H new ATOM 0 HG13 ILE A 53 5.176 7.592 3.500 1.00 23.35 H new ATOM 0 HG21 ILE A 53 5.851 7.802 -0.135 1.00 51.43 H new ATOM 0 HG22 ILE A 53 4.430 6.869 -0.660 1.00 51.43 H new ATOM 0 HG23 ILE A 53 4.228 8.528 -0.050 1.00 51.43 H new ATOM 0 HD11 ILE A 53 7.066 9.086 3.021 1.00 20.25 H new ATOM 0 HD12 ILE A 53 7.330 7.495 2.269 1.00 20.25 H new ATOM 0 HD13 ILE A 53 6.811 8.876 1.273 1.00 20.25 H new ATOM 798 N TRP A 54 2.622 4.501 0.891 1.00 1.44 N ATOM 799 CA TRP A 54 1.982 3.540 -0.005 1.00 34.44 C ATOM 800 C TRP A 54 0.457 3.633 0.115 1.00 42.51 C ATOM 801 O TRP A 54 -0.235 3.849 -0.880 1.00 73.03 O ATOM 802 CB TRP A 54 2.472 2.116 0.293 1.00 20.35 C ATOM 803 CG TRP A 54 2.218 1.139 -0.807 1.00 54.43 C ATOM 804 CD1 TRP A 54 3.114 0.735 -1.732 1.00 22.03 C ATOM 805 CD2 TRP A 54 0.997 0.396 -1.072 1.00 72.40 C ATOM 806 NE1 TRP A 54 2.515 -0.183 -2.573 1.00 51.13 N ATOM 807 CE2 TRP A 54 1.208 -0.429 -2.214 1.00 43.13 C ATOM 808 CE3 TRP A 54 -0.254 0.312 -0.432 1.00 14.13 C ATOM 809 CZ2 TRP A 54 0.215 -1.285 -2.709 1.00 3.11 C ATOM 810 CZ3 TRP A 54 -1.253 -0.547 -0.911 1.00 13.24 C ATOM 811 CH2 TRP A 54 -1.028 -1.334 -2.055 1.00 21.43 C ATOM 0 H TRP A 54 3.226 4.068 1.590 1.00 1.44 H new ATOM 0 HA TRP A 54 2.258 3.783 -1.031 1.00 34.44 H new ATOM 0 HB2 TRP A 54 3.542 2.147 0.496 1.00 20.35 H new ATOM 0 HB3 TRP A 54 1.986 1.759 1.201 1.00 20.35 H new ATOM 0 HD1 TRP A 54 4.137 1.075 -1.803 1.00 22.03 H new ATOM 0 HE1 TRP A 54 2.984 -0.625 -3.364 1.00 51.13 H new ATOM 0 HE3 TRP A 54 -0.447 0.918 0.441 1.00 14.13 H new ATOM 0 HZ2 TRP A 54 0.402 -1.897 -3.579 1.00 3.11 H new ATOM 0 HZ3 TRP A 54 -2.202 -0.605 -0.398 1.00 13.24 H new ATOM 0 HH2 TRP A 54 -1.811 -1.976 -2.431 1.00 21.43 H new ATOM 821 N PHE A 55 -0.067 3.505 1.337 1.00 3.44 N ATOM 822 CA PHE A 55 -1.504 3.522 1.599 1.00 55.43 C ATOM 823 C PHE A 55 -2.107 4.891 1.249 1.00 15.15 C ATOM 824 O PHE A 55 -3.226 4.974 0.741 1.00 43.42 O ATOM 825 CB PHE A 55 -1.752 3.126 3.062 1.00 61.31 C ATOM 826 CG PHE A 55 -1.697 1.623 3.312 1.00 11.55 C ATOM 827 CD1 PHE A 55 -0.480 0.908 3.299 1.00 70.40 C ATOM 828 CD2 PHE A 55 -2.889 0.914 3.546 1.00 10.23 C ATOM 829 CE1 PHE A 55 -0.466 -0.479 3.523 1.00 4.55 C ATOM 830 CE2 PHE A 55 -2.877 -0.482 3.698 1.00 33.05 C ATOM 831 CZ PHE A 55 -1.663 -1.181 3.694 1.00 50.51 C ATOM 0 H PHE A 55 0.500 3.386 2.176 1.00 3.44 H new ATOM 0 HA PHE A 55 -2.007 2.795 0.961 1.00 55.43 H new ATOM 0 HB2 PHE A 55 -1.010 3.617 3.692 1.00 61.31 H new ATOM 0 HB3 PHE A 55 -2.729 3.500 3.369 1.00 61.31 H new ATOM 0 HD1 PHE A 55 0.447 1.431 3.116 1.00 70.40 H new ATOM 0 HD2 PHE A 55 -3.825 1.450 3.610 1.00 10.23 H new ATOM 0 HE1 PHE A 55 0.476 -1.006 3.563 1.00 4.55 H new ATOM 0 HE2 PHE A 55 -3.807 -1.018 3.818 1.00 33.05 H new ATOM 0 HZ PHE A 55 -1.652 -2.253 3.822 1.00 50.51 H new ATOM 840 N GLN A 56 -1.359 5.982 1.444 1.00 62.30 N ATOM 841 CA GLN A 56 -1.740 7.310 0.976 1.00 33.45 C ATOM 842 C GLN A 56 -1.928 7.305 -0.543 1.00 75.00 C ATOM 843 O GLN A 56 -2.923 7.838 -1.045 1.00 24.21 O ATOM 844 CB GLN A 56 -0.672 8.346 1.382 1.00 12.35 C ATOM 845 CG GLN A 56 -0.957 8.994 2.743 1.00 40.50 C ATOM 846 CD GLN A 56 -0.308 10.362 2.905 1.00 44.50 C ATOM 847 OE1 GLN A 56 -0.903 11.251 3.497 1.00 43.52 O ATOM 848 NE2 GLN A 56 0.921 10.565 2.456 1.00 35.01 N ATOM 0 H GLN A 56 -0.466 5.963 1.936 1.00 62.30 H new ATOM 0 HA GLN A 56 -2.686 7.586 1.441 1.00 33.45 H new ATOM 0 HB2 GLN A 56 0.304 7.861 1.413 1.00 12.35 H new ATOM 0 HB3 GLN A 56 -0.618 9.123 0.619 1.00 12.35 H new ATOM 0 HG2 GLN A 56 -2.035 9.093 2.872 1.00 40.50 H new ATOM 0 HG3 GLN A 56 -0.600 8.334 3.534 1.00 40.50 H new ATOM 0 HE21 GLN A 56 1.413 9.820 1.963 1.00 35.01 H new ATOM 0 HE22 GLN A 56 1.375 11.466 2.603 1.00 35.01 H new ATOM 855 N ASN A 57 -0.991 6.694 -1.270 1.00 61.24 N ATOM 856 CA ASN A 57 -1.002 6.644 -2.725 1.00 15.25 C ATOM 857 C ASN A 57 -2.231 5.884 -3.216 1.00 32.33 C ATOM 858 O ASN A 57 -2.903 6.329 -4.148 1.00 41.13 O ATOM 859 CB ASN A 57 0.293 6.002 -3.262 1.00 75.32 C ATOM 860 CG ASN A 57 1.166 7.028 -3.958 1.00 44.23 C ATOM 861 OD1 ASN A 57 0.896 7.390 -5.099 1.00 71.23 O ATOM 862 ND2 ASN A 57 2.165 7.573 -3.282 1.00 73.03 N ATOM 0 H ASN A 57 -0.193 6.214 -0.854 1.00 61.24 H new ATOM 0 HA ASN A 57 -1.051 7.664 -3.107 1.00 15.25 H new ATOM 0 HB2 ASN A 57 0.846 5.549 -2.439 1.00 75.32 H new ATOM 0 HB3 ASN A 57 0.043 5.201 -3.958 1.00 75.32 H new ATOM 0 HD21 ASN A 57 2.728 8.309 -3.708 1.00 73.03 H new ATOM 0 HD22 ASN A 57 2.372 7.257 -2.335 1.00 73.03 H new ATOM 868 N ARG A 58 -2.528 4.745 -2.589 1.00 14.11 N ATOM 869 CA ARG A 58 -3.678 3.904 -2.905 1.00 22.03 C ATOM 870 C ARG A 58 -4.991 4.636 -2.625 1.00 13.54 C ATOM 871 O ARG A 58 -5.858 4.681 -3.499 1.00 60.34 O ATOM 872 CB ARG A 58 -3.543 2.583 -2.115 1.00 35.31 C ATOM 873 CG ARG A 58 -3.478 1.340 -3.018 1.00 75.32 C ATOM 874 CD ARG A 58 -2.201 1.340 -3.869 1.00 60.10 C ATOM 875 NE ARG A 58 -2.066 0.124 -4.690 1.00 40.54 N ATOM 876 CZ ARG A 58 -1.067 -0.113 -5.550 1.00 31.01 C ATOM 877 NH1 ARG A 58 -0.190 0.843 -5.840 1.00 42.33 N ATOM 878 NH2 ARG A 58 -0.919 -1.295 -6.138 1.00 3.14 N ATOM 0 H ARG A 58 -1.959 4.374 -1.828 1.00 14.11 H new ATOM 0 HA ARG A 58 -3.698 3.670 -3.969 1.00 22.03 H new ATOM 0 HB2 ARG A 58 -2.644 2.625 -1.501 1.00 35.31 H new ATOM 0 HB3 ARG A 58 -4.389 2.486 -1.435 1.00 35.31 H new ATOM 0 HG2 ARG A 58 -3.510 0.439 -2.405 1.00 75.32 H new ATOM 0 HG3 ARG A 58 -4.352 1.314 -3.669 1.00 75.32 H new ATOM 0 HD2 ARG A 58 -2.203 2.215 -4.520 1.00 60.10 H new ATOM 0 HD3 ARG A 58 -1.333 1.431 -3.215 1.00 60.10 H new ATOM 0 HE ARG A 58 -2.787 -0.591 -4.596 1.00 40.54 H new ATOM 0 HH11 ARG A 58 -0.276 1.762 -5.407 1.00 42.33 H new ATOM 0 HH12 ARG A 58 0.569 0.657 -6.496 1.00 42.33 H new ATOM 0 HH21 ARG A 58 -1.576 -2.050 -5.938 1.00 3.14 H new ATOM 0 HH22 ARG A 58 -0.149 -1.448 -6.789 1.00 3.14 H new ATOM 889 N ARG A 59 -5.148 5.250 -1.444 1.00 15.24 N ATOM 890 CA ARG A 59 -6.376 5.978 -1.104 1.00 21.35 C ATOM 891 C ARG A 59 -6.724 7.048 -2.123 1.00 55.50 C ATOM 892 O ARG A 59 -7.909 7.228 -2.406 1.00 61.42 O ATOM 893 CB ARG A 59 -6.285 6.648 0.272 1.00 0.24 C ATOM 894 CG ARG A 59 -6.705 5.702 1.398 1.00 65.21 C ATOM 895 CD ARG A 59 -7.002 6.503 2.668 1.00 61.30 C ATOM 896 NE ARG A 59 -5.782 7.054 3.276 1.00 72.14 N ATOM 897 CZ ARG A 59 -5.667 8.240 3.884 1.00 51.12 C ATOM 898 NH1 ARG A 59 -6.706 9.072 3.975 1.00 71.10 N ATOM 899 NH2 ARG A 59 -4.496 8.566 4.414 1.00 10.12 N ATOM 0 H ARG A 59 -4.440 5.256 -0.710 1.00 15.24 H new ATOM 0 HA ARG A 59 -7.159 5.220 -1.098 1.00 21.35 H new ATOM 0 HB2 ARG A 59 -5.263 6.985 0.444 1.00 0.24 H new ATOM 0 HB3 ARG A 59 -6.920 7.534 0.287 1.00 0.24 H new ATOM 0 HG2 ARG A 59 -7.588 5.137 1.099 1.00 65.21 H new ATOM 0 HG3 ARG A 59 -5.913 4.978 1.591 1.00 65.21 H new ATOM 0 HD2 ARG A 59 -7.687 7.317 2.430 1.00 61.30 H new ATOM 0 HD3 ARG A 59 -7.508 5.862 3.390 1.00 61.30 H new ATOM 0 HE ARG A 59 -4.943 6.476 3.230 1.00 72.14 H new ATOM 0 HH11 ARG A 59 -7.607 8.808 3.577 1.00 71.10 H new ATOM 0 HH12 ARG A 59 -6.599 9.972 4.442 1.00 71.10 H new ATOM 0 HH21 ARG A 59 -3.710 7.919 4.352 1.00 10.12 H new ATOM 0 HH22 ARG A 59 -4.381 9.464 4.883 1.00 10.12 H new ATOM 910 N ALA A 60 -5.727 7.763 -2.644 1.00 24.33 N ATOM 911 CA ALA A 60 -5.963 8.857 -3.569 1.00 42.30 C ATOM 912 C ALA A 60 -6.718 8.352 -4.798 1.00 72.12 C ATOM 913 O ALA A 60 -7.758 8.905 -5.154 1.00 74.24 O ATOM 914 CB ALA A 60 -4.627 9.490 -3.946 1.00 51.23 C ATOM 0 H ALA A 60 -4.742 7.597 -2.435 1.00 24.33 H new ATOM 0 HA ALA A 60 -6.583 9.619 -3.097 1.00 42.30 H new ATOM 0 HB1 ALA A 60 -4.797 10.313 -4.641 1.00 51.23 H new ATOM 0 HB2 ALA A 60 -4.138 9.868 -3.049 1.00 51.23 H new ATOM 0 HB3 ALA A 60 -3.990 8.742 -4.418 1.00 51.23 H new ATOM 920 N LYS A 61 -6.249 7.255 -5.402 1.00 2.25 N ATOM 921 CA LYS A 61 -6.933 6.695 -6.559 1.00 41.24 C ATOM 922 C LYS A 61 -8.325 6.202 -6.174 1.00 35.01 C ATOM 923 O LYS A 61 -9.276 6.469 -6.901 1.00 71.20 O ATOM 924 CB LYS A 61 -6.095 5.593 -7.213 1.00 61.00 C ATOM 925 CG LYS A 61 -6.625 5.360 -8.635 1.00 62.13 C ATOM 926 CD LYS A 61 -5.886 4.238 -9.361 1.00 3.51 C ATOM 927 CE LYS A 61 -6.251 4.312 -10.850 1.00 4.44 C ATOM 928 NZ LYS A 61 -5.731 3.175 -11.633 1.00 75.21 N ATOM 0 H LYS A 61 -5.413 6.749 -5.111 1.00 2.25 H new ATOM 0 HA LYS A 61 -7.059 7.483 -7.301 1.00 41.24 H new ATOM 0 HB2 LYS A 61 -5.045 5.883 -7.243 1.00 61.00 H new ATOM 0 HB3 LYS A 61 -6.156 4.674 -6.630 1.00 61.00 H new ATOM 0 HG2 LYS A 61 -7.687 5.119 -8.588 1.00 62.13 H new ATOM 0 HG3 LYS A 61 -6.532 6.282 -9.209 1.00 62.13 H new ATOM 0 HD2 LYS A 61 -4.809 4.343 -9.227 1.00 3.51 H new ATOM 0 HD3 LYS A 61 -6.166 3.269 -8.948 1.00 3.51 H new ATOM 0 HE2 LYS A 61 -7.336 4.348 -10.950 1.00 4.44 H new ATOM 0 HE3 LYS A 61 -5.861 5.241 -11.267 1.00 4.44 H new ATOM 0 HZ1 LYS A 61 -6.010 3.283 -12.629 1.00 75.21 H new ATOM 0 HZ2 LYS A 61 -4.693 3.152 -11.565 1.00 75.21 H new ATOM 0 HZ3 LYS A 61 -6.122 2.287 -11.258 1.00 75.21 H new ATOM 938 N TRP A 62 -8.479 5.553 -5.018 1.00 20.21 N ATOM 939 CA TRP A 62 -9.777 5.062 -4.565 1.00 51.22 C ATOM 940 C TRP A 62 -10.784 6.202 -4.463 1.00 75.41 C ATOM 941 O TRP A 62 -11.922 6.050 -4.902 1.00 1.53 O ATOM 942 CB TRP A 62 -9.619 4.333 -3.232 1.00 23.22 C ATOM 943 CG TRP A 62 -10.867 4.096 -2.437 1.00 4.35 C ATOM 944 CD1 TRP A 62 -11.919 3.351 -2.835 1.00 0.21 C ATOM 945 CD2 TRP A 62 -11.230 4.615 -1.121 1.00 34.41 C ATOM 946 NE1 TRP A 62 -12.873 3.308 -1.840 1.00 63.13 N ATOM 947 CE2 TRP A 62 -12.490 4.056 -0.748 1.00 32.33 C ATOM 948 CE3 TRP A 62 -10.617 5.490 -0.200 1.00 45.42 C ATOM 949 CZ2 TRP A 62 -13.086 4.316 0.494 1.00 10.45 C ATOM 950 CZ3 TRP A 62 -11.224 5.789 1.035 1.00 13.43 C ATOM 951 CH2 TRP A 62 -12.458 5.206 1.382 1.00 23.02 C ATOM 0 H TRP A 62 -7.712 5.355 -4.375 1.00 20.21 H new ATOM 0 HA TRP A 62 -10.164 4.355 -5.298 1.00 51.22 H new ATOM 0 HB2 TRP A 62 -9.152 3.367 -3.427 1.00 23.22 H new ATOM 0 HB3 TRP A 62 -8.926 4.903 -2.614 1.00 23.22 H new ATOM 0 HD1 TRP A 62 -12.002 2.860 -3.793 1.00 0.21 H new ATOM 0 HE1 TRP A 62 -13.749 2.789 -1.904 1.00 63.13 H new ATOM 0 HE3 TRP A 62 -9.666 5.938 -0.446 1.00 45.42 H new ATOM 0 HZ2 TRP A 62 -14.016 3.838 0.765 1.00 10.45 H new ATOM 0 HZ3 TRP A 62 -10.740 6.469 1.720 1.00 13.43 H new ATOM 0 HH2 TRP A 62 -12.921 5.442 2.329 1.00 23.02 H new ATOM 961 N LYS A 63 -10.385 7.374 -3.961 1.00 63.21 N ATOM 962 CA LYS A 63 -11.263 8.540 -3.945 1.00 52.43 C ATOM 963 C LYS A 63 -11.782 8.869 -5.348 1.00 64.42 C ATOM 964 O LYS A 63 -12.982 9.088 -5.502 1.00 3.41 O ATOM 965 CB LYS A 63 -10.544 9.737 -3.306 1.00 31.11 C ATOM 966 CG LYS A 63 -10.401 9.607 -1.777 1.00 44.22 C ATOM 967 CD LYS A 63 -10.907 10.883 -1.083 1.00 43.31 C ATOM 968 CE LYS A 63 -11.189 10.691 0.410 1.00 64.31 C ATOM 969 NZ LYS A 63 -10.048 11.080 1.257 1.00 55.54 N ATOM 0 H LYS A 63 -9.461 7.537 -3.562 1.00 63.21 H new ATOM 0 HA LYS A 63 -12.136 8.307 -3.335 1.00 52.43 H new ATOM 0 HB2 LYS A 63 -9.554 9.839 -3.751 1.00 31.11 H new ATOM 0 HB3 LYS A 63 -11.093 10.650 -3.538 1.00 31.11 H new ATOM 0 HG2 LYS A 63 -10.966 8.744 -1.424 1.00 44.22 H new ATOM 0 HG3 LYS A 63 -9.357 9.432 -1.516 1.00 44.22 H new ATOM 0 HD2 LYS A 63 -10.167 11.673 -1.207 1.00 43.31 H new ATOM 0 HD3 LYS A 63 -11.818 11.220 -1.577 1.00 43.31 H new ATOM 0 HE2 LYS A 63 -12.062 11.281 0.690 1.00 64.31 H new ATOM 0 HE3 LYS A 63 -11.437 9.646 0.598 1.00 64.31 H new ATOM 0 HZ1 LYS A 63 -10.291 10.931 2.257 1.00 55.54 H new ATOM 0 HZ2 LYS A 63 -9.220 10.500 1.012 1.00 55.54 H new ATOM 0 HZ3 LYS A 63 -9.826 12.084 1.101 1.00 55.54 H new ATOM 979 N ARG A 64 -10.925 8.808 -6.374 1.00 34.11 N ATOM 980 CA ARG A 64 -11.255 9.059 -7.774 1.00 2.44 C ATOM 981 C ARG A 64 -12.066 7.924 -8.406 1.00 74.22 C ATOM 982 O ARG A 64 -12.349 7.994 -9.601 1.00 54.14 O ATOM 983 CB ARG A 64 -9.954 9.326 -8.568 1.00 1.42 C ATOM 984 CG ARG A 64 -9.551 10.811 -8.659 1.00 51.12 C ATOM 985 CD ARG A 64 -9.207 11.158 -10.115 1.00 51.24 C ATOM 986 NE ARG A 64 -8.850 12.575 -10.308 1.00 21.43 N ATOM 987 CZ ARG A 64 -9.284 13.365 -11.304 1.00 31.04 C ATOM 988 NH1 ARG A 64 -10.026 12.865 -12.290 1.00 20.21 N ATOM 989 NH2 ARG A 64 -8.963 14.653 -11.286 1.00 22.35 N ATOM 0 H ARG A 64 -9.942 8.572 -6.241 1.00 34.11 H new ATOM 0 HA ARG A 64 -11.895 9.941 -7.813 1.00 2.44 H new ATOM 0 HB2 ARG A 64 -9.140 8.770 -8.103 1.00 1.42 H new ATOM 0 HB3 ARG A 64 -10.073 8.933 -9.578 1.00 1.42 H new ATOM 0 HG2 ARG A 64 -10.366 11.443 -8.306 1.00 51.12 H new ATOM 0 HG3 ARG A 64 -8.694 11.007 -8.015 1.00 51.12 H new ATOM 0 HD2 ARG A 64 -8.376 10.533 -10.444 1.00 51.24 H new ATOM 0 HD3 ARG A 64 -10.059 10.915 -10.750 1.00 51.24 H new ATOM 0 HE ARG A 64 -8.218 12.992 -9.625 1.00 21.43 H new ATOM 0 HH11 ARG A 64 -10.269 11.874 -12.293 1.00 20.21 H new ATOM 0 HH12 ARG A 64 -10.351 13.473 -13.042 1.00 20.21 H new ATOM 0 HH21 ARG A 64 -8.396 15.027 -10.525 1.00 22.35 H new ATOM 0 HH22 ARG A 64 -9.283 15.269 -12.033 1.00 22.35 H new ATOM 1000 N ILE A 65 -12.417 6.880 -7.659 1.00 13.33 N ATOM 1001 CA ILE A 65 -13.200 5.745 -8.131 1.00 24.11 C ATOM 1002 C ILE A 65 -14.480 5.559 -7.300 1.00 24.01 C ATOM 1003 O ILE A 65 -15.481 5.049 -7.799 1.00 75.33 O ATOM 1004 CB ILE A 65 -12.292 4.491 -8.200 1.00 20.44 C ATOM 1005 CG1 ILE A 65 -11.144 4.754 -9.205 1.00 31.34 C ATOM 1006 CG2 ILE A 65 -13.095 3.244 -8.610 1.00 0.24 C ATOM 1007 CD1 ILE A 65 -10.165 3.596 -9.404 1.00 23.01 C ATOM 0 H ILE A 65 -12.155 6.800 -6.677 1.00 13.33 H new ATOM 0 HA ILE A 65 -13.559 5.932 -9.143 1.00 24.11 H new ATOM 0 HB ILE A 65 -11.876 4.299 -7.211 1.00 20.44 H new ATOM 0 HG12 ILE A 65 -11.581 5.007 -10.171 1.00 31.34 H new ATOM 0 HG13 ILE A 65 -10.584 5.627 -8.870 1.00 31.34 H new ATOM 0 HG21 ILE A 65 -12.431 2.381 -8.650 1.00 0.24 H new ATOM 0 HG22 ILE A 65 -13.883 3.062 -7.879 1.00 0.24 H new ATOM 0 HG23 ILE A 65 -13.540 3.405 -9.592 1.00 0.24 H new ATOM 0 HD11 ILE A 65 -9.402 3.885 -10.127 1.00 23.01 H new ATOM 0 HD12 ILE A 65 -9.691 3.353 -8.453 1.00 23.01 H new ATOM 0 HD13 ILE A 65 -10.704 2.724 -9.774 1.00 23.01 H new ATOM 1018 N LYS A 66 -14.484 5.963 -6.030 1.00 71.43 N ATOM 1019 CA LYS A 66 -15.612 5.876 -5.134 1.00 60.22 C ATOM 1020 C LYS A 66 -16.608 6.986 -5.428 1.00 60.20 C ATOM 1021 O LYS A 66 -17.794 6.741 -5.602 1.00 74.14 O ATOM 1022 CB LYS A 66 -15.029 5.957 -3.716 1.00 64.24 C ATOM 1023 CG LYS A 66 -16.088 6.234 -2.655 1.00 23.44 C ATOM 1024 CD LYS A 66 -15.409 6.437 -1.304 1.00 1.21 C ATOM 1025 CE LYS A 66 -16.358 6.843 -0.167 1.00 11.42 C ATOM 1026 NZ LYS A 66 -17.495 5.918 0.021 1.00 45.22 N ATOM 0 H LYS A 66 -13.662 6.375 -5.589 1.00 71.43 H new ATOM 0 HA LYS A 66 -16.169 4.947 -5.254 1.00 60.22 H new ATOM 0 HB2 LYS A 66 -14.524 5.020 -3.482 1.00 64.24 H new ATOM 0 HB3 LYS A 66 -14.274 6.743 -3.683 1.00 64.24 H new ATOM 0 HG2 LYS A 66 -16.664 7.120 -2.922 1.00 23.44 H new ATOM 0 HG3 LYS A 66 -16.790 5.402 -2.600 1.00 23.44 H new ATOM 0 HD2 LYS A 66 -14.902 5.513 -1.024 1.00 1.21 H new ATOM 0 HD3 LYS A 66 -14.641 7.203 -1.410 1.00 1.21 H new ATOM 0 HE2 LYS A 66 -15.792 6.901 0.763 1.00 11.42 H new ATOM 0 HE3 LYS A 66 -16.744 7.842 -0.368 1.00 11.42 H new ATOM 0 HZ1 LYS A 66 -18.091 6.255 0.804 1.00 45.22 H new ATOM 0 HZ2 LYS A 66 -18.059 5.879 -0.852 1.00 45.22 H new ATOM 0 HZ3 LYS A 66 -17.136 4.968 0.244 1.00 45.22 H new ATOM 1036 N ALA A 67 -16.110 8.214 -5.353 1.00 44.41 N ATOM 1037 CA ALA A 67 -16.892 9.440 -5.321 1.00 51.44 C ATOM 1038 C ALA A 67 -16.298 10.473 -6.280 1.00 2.35 C ATOM 1039 O ALA A 67 -16.723 11.628 -6.276 1.00 34.34 O ATOM 1040 CB ALA A 67 -16.916 9.962 -3.876 1.00 73.03 C ATOM 0 H ALA A 67 -15.106 8.388 -5.311 1.00 44.41 H new ATOM 0 HA ALA A 67 -17.914 9.247 -5.648 1.00 51.44 H new ATOM 0 HB1 ALA A 67 -17.498 10.882 -3.831 1.00 73.03 H new ATOM 0 HB2 ALA A 67 -17.370 9.214 -3.226 1.00 73.03 H new ATOM 0 HB3 ALA A 67 -15.897 10.161 -3.544 1.00 73.03 H new ATOM 1046 N GLY A 68 -15.298 10.076 -7.065 1.00 31.44 N ATOM 1047 CA GLY A 68 -14.688 10.925 -8.072 1.00 35.01 C ATOM 1048 C GLY A 68 -15.721 11.329 -9.115 1.00 34.34 C ATOM 1049 O GLY A 68 -16.241 10.455 -9.812 1.00 51.22 O ATOM 0 H GLY A 68 -14.888 9.144 -7.015 1.00 31.44 H new ATOM 0 HA2 GLY A 68 -14.268 11.814 -7.602 1.00 35.01 H new ATOM 0 HA3 GLY A 68 -13.863 10.398 -8.552 1.00 35.01 H new ATOM 1053 N ASN A 69 -16.010 12.629 -9.225 1.00 63.02 N ATOM 1054 CA ASN A 69 -16.959 13.196 -10.191 1.00 74.43 C ATOM 1055 C ASN A 69 -16.454 14.499 -10.835 1.00 0.55 C ATOM 1056 O ASN A 69 -17.208 15.242 -11.468 1.00 23.35 O ATOM 1057 CB ASN A 69 -18.299 13.465 -9.513 1.00 3.32 C ATOM 1058 CG ASN A 69 -19.214 12.255 -9.412 1.00 51.31 C ATOM 1059 OD1 ASN A 69 -19.308 11.441 -10.321 1.00 32.04 O ATOM 1060 ND2 ASN A 69 -19.944 12.136 -8.316 1.00 3.25 N ATOM 0 H ASN A 69 -15.579 13.336 -8.629 1.00 63.02 H new ATOM 0 HA ASN A 69 -17.071 12.457 -10.984 1.00 74.43 H new ATOM 0 HB2 ASN A 69 -18.113 13.847 -8.509 1.00 3.32 H new ATOM 0 HB3 ASN A 69 -18.818 14.251 -10.062 1.00 3.32 H new ATOM 0 HD21 ASN A 69 -20.596 11.358 -8.220 1.00 3.25 H new ATOM 0 HD22 ASN A 69 -19.855 12.822 -7.567 1.00 3.25 H new ATOM 1066 N VAL A 70 -15.173 14.810 -10.677 1.00 55.31 N ATOM 1067 CA VAL A 70 -14.547 15.954 -11.348 1.00 42.52 C ATOM 1068 C VAL A 70 -14.647 15.837 -12.876 1.00 61.03 C ATOM 1069 O VAL A 70 -14.646 16.860 -13.564 1.00 62.11 O ATOM 1070 CB VAL A 70 -13.080 16.121 -10.886 1.00 60.21 C ATOM 1071 CG1 VAL A 70 -12.392 17.306 -11.566 1.00 42.24 C ATOM 1072 CG2 VAL A 70 -12.985 16.338 -9.372 1.00 12.23 C ATOM 0 H VAL A 70 -14.536 14.280 -10.082 1.00 55.31 H new ATOM 0 HA VAL A 70 -15.095 16.852 -11.061 1.00 42.52 H new ATOM 0 HB VAL A 70 -12.580 15.194 -11.167 1.00 60.21 H new ATOM 0 HG11 VAL A 70 -11.365 17.383 -11.210 1.00 42.24 H new ATOM 0 HG12 VAL A 70 -12.392 17.156 -12.646 1.00 42.24 H new ATOM 0 HG13 VAL A 70 -12.929 18.224 -11.327 1.00 42.24 H new ATOM 0 HG21 VAL A 70 -11.939 16.451 -9.086 1.00 12.23 H new ATOM 0 HG22 VAL A 70 -13.536 17.238 -9.098 1.00 12.23 H new ATOM 0 HG23 VAL A 70 -13.412 15.479 -8.854 1.00 12.23 H new ATOM 1082 N SER A 71 -14.827 14.623 -13.388 1.00 4.41 N ATOM 1083 CA SER A 71 -14.276 14.166 -14.659 1.00 35.21 C ATOM 1084 C SER A 71 -12.757 14.304 -14.597 1.00 75.14 C ATOM 1085 O SER A 71 -12.118 13.383 -14.047 1.00 35.02 O ATOM 1086 CB SER A 71 -14.956 14.832 -15.861 1.00 34.43 C ATOM 1087 OG SER A 71 -16.351 14.629 -15.742 1.00 31.32 O ATOM 0 H SER A 71 -15.378 13.908 -12.914 1.00 4.41 H new ATOM 0 HA SER A 71 -14.495 13.110 -14.820 1.00 35.21 H new ATOM 0 HB2 SER A 71 -14.727 15.897 -15.886 1.00 34.43 H new ATOM 0 HB3 SER A 71 -14.587 14.404 -16.793 1.00 34.43 H new ATOM 0 HG SER A 71 -16.808 15.049 -16.500 1.00 31.32 H new TER 1092 SER A 71