USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 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 Single : A 1 SER N :NH3+ -145:sc= 0.144 (180deg=0) USER MOD Single : A 1 SER OG : rot 43:sc= 0.103 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 78:sc= 1.19 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.167 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00334 USER MOD Single : A 18 GLN : amide:sc= 1.12 K(o=1.1,f=-2.7!) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0435) USER MOD Single : A 27 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.21) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -151:sc= 0.369 (180deg=0.202) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.162 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,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= -0.872 K(o=-0.87,f=-0.31) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.0687 X(o=0.069,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+ -110:sc= 1.25 (180deg=-0.312) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.768 -5.662 -23.204 1.00 3.43 N ATOM 2 CA SER A 1 -0.537 -4.908 -22.924 1.00 0.32 C ATOM 3 C SER A 1 -0.683 -4.132 -21.616 1.00 15.44 C ATOM 4 O SER A 1 -1.491 -3.201 -21.544 1.00 23.12 O ATOM 5 CB SER A 1 -0.212 -3.970 -24.096 1.00 63.52 C ATOM 6 OG SER A 1 -1.386 -3.350 -24.610 1.00 15.31 O ATOM 0 H1 SER A 1 -1.526 -6.564 -23.662 1.00 3.43 H new ATOM 0 H2 SER A 1 -2.270 -5.850 -22.313 1.00 3.43 H new ATOM 0 H3 SER A 1 -2.380 -5.106 -23.835 1.00 3.43 H new ATOM 0 HA SER A 1 0.293 -5.605 -22.812 1.00 0.32 H new ATOM 0 HB2 SER A 1 0.490 -3.204 -23.766 1.00 63.52 H new ATOM 0 HB3 SER A 1 0.280 -4.534 -24.889 1.00 63.52 H new ATOM 0 HG SER A 1 -1.954 -3.059 -23.867 1.00 15.31 H new ATOM 11 N ALA A 2 0.106 -4.462 -20.586 1.00 54.33 N ATOM 12 CA ALA A 2 0.078 -3.790 -19.289 1.00 31.12 C ATOM 13 C ALA A 2 1.470 -3.231 -18.971 1.00 23.52 C ATOM 14 O ALA A 2 2.180 -3.800 -18.137 1.00 61.45 O ATOM 15 CB ALA A 2 -0.429 -4.756 -18.211 1.00 14.43 C ATOM 0 H ALA A 2 0.791 -5.216 -20.635 1.00 54.33 H new ATOM 0 HA ALA A 2 -0.614 -2.948 -19.315 1.00 31.12 H new ATOM 0 HB1 ALA A 2 -0.447 -4.248 -17.247 1.00 14.43 H new ATOM 0 HB2 ALA A 2 -1.435 -5.089 -18.465 1.00 14.43 H new ATOM 0 HB3 ALA A 2 0.235 -5.619 -18.154 1.00 14.43 H new ATOM 21 N PRO A 3 1.895 -2.136 -19.627 1.00 14.03 N ATOM 22 CA PRO A 3 3.050 -1.373 -19.180 1.00 22.41 C ATOM 23 C PRO A 3 2.723 -0.649 -17.863 1.00 55.14 C ATOM 24 O PRO A 3 1.577 -0.655 -17.394 1.00 74.45 O ATOM 25 CB PRO A 3 3.355 -0.421 -20.338 1.00 54.24 C ATOM 26 CG PRO A 3 1.973 -0.136 -20.924 1.00 41.24 C ATOM 27 CD PRO A 3 1.246 -1.467 -20.749 1.00 41.21 C ATOM 0 HA PRO A 3 3.922 -1.987 -18.955 1.00 22.41 H new ATOM 0 HB2 PRO A 3 3.843 0.491 -19.993 1.00 54.24 H new ATOM 0 HB3 PRO A 3 4.018 -0.879 -21.072 1.00 54.24 H new ATOM 0 HG2 PRO A 3 1.469 0.672 -20.394 1.00 41.24 H new ATOM 0 HG3 PRO A 3 2.031 0.157 -21.972 1.00 41.24 H new ATOM 0 HD2 PRO A 3 0.186 -1.309 -20.549 1.00 41.21 H new ATOM 0 HD3 PRO A 3 1.313 -2.070 -21.654 1.00 41.21 H new ATOM 32 N GLY A 4 3.734 -0.011 -17.271 1.00 15.14 N ATOM 33 CA GLY A 4 3.655 0.566 -15.937 1.00 73.53 C ATOM 34 C GLY A 4 3.949 -0.519 -14.908 1.00 15.41 C ATOM 35 O GLY A 4 3.654 -1.699 -15.125 1.00 51.45 O ATOM 0 H GLY A 4 4.643 0.119 -17.716 1.00 15.14 H new ATOM 0 HA2 GLY A 4 4.370 1.383 -15.837 1.00 73.53 H new ATOM 0 HA3 GLY A 4 2.664 0.987 -15.767 1.00 73.53 H new ATOM 39 N GLY A 5 4.565 -0.145 -13.787 1.00 44.15 N ATOM 40 CA GLY A 5 5.038 -1.086 -12.781 1.00 42.14 C ATOM 41 C GLY A 5 6.327 -1.777 -13.225 1.00 33.10 C ATOM 42 O GLY A 5 7.339 -1.672 -12.534 1.00 42.25 O ATOM 0 H GLY A 5 4.750 0.830 -13.553 1.00 44.15 H new ATOM 0 HA2 GLY A 5 5.210 -0.561 -11.842 1.00 42.14 H new ATOM 0 HA3 GLY A 5 4.269 -1.835 -12.591 1.00 42.14 H new ATOM 46 N LYS A 6 6.278 -2.502 -14.350 1.00 40.03 N ATOM 47 CA LYS A 6 7.306 -3.372 -14.934 1.00 40.44 C ATOM 48 C LYS A 6 7.971 -4.338 -13.946 1.00 0.13 C ATOM 49 O LYS A 6 8.983 -4.955 -14.278 1.00 0.41 O ATOM 50 CB LYS A 6 8.307 -2.563 -15.786 1.00 24.20 C ATOM 51 CG LYS A 6 9.336 -1.725 -15.002 1.00 24.33 C ATOM 52 CD LYS A 6 10.377 -1.137 -15.960 1.00 23.11 C ATOM 53 CE LYS A 6 11.504 -0.428 -15.208 1.00 54.32 C ATOM 54 NZ LYS A 6 12.567 0.043 -16.116 1.00 20.54 N ATOM 0 H LYS A 6 5.438 -2.493 -14.929 1.00 40.03 H new ATOM 0 HA LYS A 6 6.779 -4.044 -15.611 1.00 40.44 H new ATOM 0 HB2 LYS A 6 8.847 -3.255 -16.431 1.00 24.20 H new ATOM 0 HB3 LYS A 6 7.743 -1.895 -16.437 1.00 24.20 H new ATOM 0 HG2 LYS A 6 8.830 -0.922 -14.466 1.00 24.33 H new ATOM 0 HG3 LYS A 6 9.829 -2.347 -14.254 1.00 24.33 H new ATOM 0 HD2 LYS A 6 10.795 -1.933 -16.575 1.00 23.11 H new ATOM 0 HD3 LYS A 6 9.892 -0.433 -16.636 1.00 23.11 H new ATOM 0 HE2 LYS A 6 11.095 0.420 -14.659 1.00 54.32 H new ATOM 0 HE3 LYS A 6 11.932 -1.108 -14.472 1.00 54.32 H new ATOM 0 HZ1 LYS A 6 13.310 0.517 -15.564 1.00 20.54 H new ATOM 0 HZ2 LYS A 6 12.976 -0.768 -16.622 1.00 20.54 H new ATOM 0 HZ3 LYS A 6 12.165 0.713 -16.803 1.00 20.54 H new ATOM 64 N SER A 7 7.411 -4.516 -12.754 1.00 35.51 N ATOM 65 CA SER A 7 8.050 -5.148 -11.617 1.00 0.00 C ATOM 66 C SER A 7 7.071 -6.137 -11.001 1.00 55.04 C ATOM 67 O SER A 7 5.868 -5.859 -10.982 1.00 63.55 O ATOM 68 CB SER A 7 8.418 -4.058 -10.608 1.00 51.45 C ATOM 69 OG SER A 7 9.269 -3.086 -11.195 1.00 72.11 O ATOM 0 H SER A 7 6.460 -4.209 -12.551 1.00 35.51 H new ATOM 0 HA SER A 7 8.952 -5.681 -11.916 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.511 -3.578 -10.240 1.00 51.45 H new ATOM 0 HB3 SER A 7 8.913 -4.507 -9.747 1.00 51.45 H new ATOM 0 HG SER A 7 8.737 -2.477 -11.748 1.00 72.11 H new ATOM 74 N ARG A 8 7.565 -7.277 -10.510 1.00 3.01 N ATOM 75 CA ARG A 8 6.720 -8.327 -9.937 1.00 44.43 C ATOM 76 C ARG A 8 7.336 -9.046 -8.731 1.00 52.33 C ATOM 77 O ARG A 8 6.801 -10.076 -8.325 1.00 54.44 O ATOM 78 CB ARG A 8 6.276 -9.289 -11.056 1.00 11.12 C ATOM 79 CG ARG A 8 7.371 -10.215 -11.620 1.00 22.31 C ATOM 80 CD ARG A 8 6.967 -10.816 -12.978 1.00 1.01 C ATOM 81 NE ARG A 8 5.643 -11.466 -12.933 1.00 44.21 N ATOM 82 CZ ARG A 8 4.602 -11.242 -13.746 1.00 14.10 C ATOM 83 NH1 ARG A 8 4.722 -10.471 -14.823 1.00 64.11 N ATOM 84 NH2 ARG A 8 3.434 -11.793 -13.449 1.00 35.14 N ATOM 0 H ARG A 8 8.561 -7.497 -10.499 1.00 3.01 H new ATOM 0 HA ARG A 8 5.838 -7.846 -9.514 1.00 44.43 H new ATOM 0 HB2 ARG A 8 5.464 -9.908 -10.675 1.00 11.12 H new ATOM 0 HB3 ARG A 8 5.869 -8.698 -11.876 1.00 11.12 H new ATOM 0 HG2 ARG A 8 8.299 -9.654 -11.732 1.00 22.31 H new ATOM 0 HG3 ARG A 8 7.568 -11.019 -10.911 1.00 22.31 H new ATOM 0 HD2 ARG A 8 6.957 -10.029 -13.732 1.00 1.01 H new ATOM 0 HD3 ARG A 8 7.716 -11.545 -13.287 1.00 1.01 H new ATOM 0 HE ARG A 8 5.505 -12.163 -12.202 1.00 44.21 H new ATOM 0 HH11 ARG A 8 5.619 -10.038 -15.043 1.00 64.11 H new ATOM 0 HH12 ARG A 8 3.917 -10.313 -15.429 1.00 64.11 H new ATOM 0 HH21 ARG A 8 3.341 -12.374 -12.616 1.00 35.14 H new ATOM 0 HH22 ARG A 8 2.628 -11.636 -14.054 1.00 35.14 H new ATOM 95 N ARG A 9 8.458 -8.573 -8.170 1.00 64.42 N ATOM 96 CA ARG A 9 9.202 -9.270 -7.107 1.00 73.31 C ATOM 97 C ARG A 9 9.921 -8.307 -6.169 1.00 21.43 C ATOM 98 O ARG A 9 9.853 -7.091 -6.353 1.00 11.40 O ATOM 99 CB ARG A 9 10.203 -10.269 -7.715 1.00 41.01 C ATOM 100 CG ARG A 9 11.142 -9.587 -8.720 1.00 75.34 C ATOM 101 CD ARG A 9 12.214 -10.523 -9.261 1.00 24.42 C ATOM 102 NE ARG A 9 13.352 -10.677 -8.346 1.00 4.30 N ATOM 103 CZ ARG A 9 14.271 -11.641 -8.443 1.00 32.40 C ATOM 104 NH1 ARG A 9 14.188 -12.569 -9.392 1.00 55.35 N ATOM 105 NH2 ARG A 9 15.290 -11.680 -7.605 1.00 24.20 N ATOM 0 H ARG A 9 8.880 -7.686 -8.444 1.00 64.42 H new ATOM 0 HA ARG A 9 8.468 -9.812 -6.511 1.00 73.31 H new ATOM 0 HB2 ARG A 9 10.791 -10.726 -6.919 1.00 41.01 H new ATOM 0 HB3 ARG A 9 9.660 -11.073 -8.212 1.00 41.01 H new ATOM 0 HG2 ARG A 9 10.554 -9.197 -9.551 1.00 75.34 H new ATOM 0 HG3 ARG A 9 11.621 -8.733 -8.240 1.00 75.34 H new ATOM 0 HD2 ARG A 9 11.773 -11.501 -9.452 1.00 24.42 H new ATOM 0 HD3 ARG A 9 12.572 -10.143 -10.218 1.00 24.42 H new ATOM 0 HE ARG A 9 13.447 -10.003 -7.586 1.00 4.30 H new ATOM 0 HH11 ARG A 9 13.415 -12.550 -10.058 1.00 55.35 H new ATOM 0 HH12 ARG A 9 14.897 -13.300 -9.454 1.00 55.35 H new ATOM 0 HH21 ARG A 9 15.379 -10.971 -6.877 1.00 24.20 H new ATOM 0 HH22 ARG A 9 15.988 -12.419 -7.685 1.00 24.20 H new ATOM 116 N ARG A 10 10.678 -8.858 -5.210 1.00 42.44 N ATOM 117 CA ARG A 10 11.867 -8.204 -4.659 1.00 31.24 C ATOM 118 C ARG A 10 12.793 -7.781 -5.796 1.00 35.14 C ATOM 119 O ARG A 10 13.484 -8.612 -6.379 1.00 20.32 O ATOM 120 CB ARG A 10 12.625 -9.093 -3.647 1.00 54.23 C ATOM 121 CG ARG A 10 12.953 -10.540 -4.072 1.00 32.23 C ATOM 122 CD ARG A 10 12.063 -11.572 -3.379 1.00 72.23 C ATOM 123 NE ARG A 10 12.378 -11.679 -1.942 1.00 30.20 N ATOM 124 CZ ARG A 10 12.689 -12.797 -1.281 1.00 44.14 C ATOM 125 NH1 ARG A 10 12.719 -13.979 -1.891 1.00 22.22 N ATOM 126 NH2 ARG A 10 12.981 -12.713 0.007 1.00 42.04 N ATOM 0 H ARG A 10 10.481 -9.769 -4.796 1.00 42.44 H new ATOM 0 HA ARG A 10 11.530 -7.325 -4.109 1.00 31.24 H new ATOM 0 HB2 ARG A 10 13.562 -8.595 -3.399 1.00 54.23 H new ATOM 0 HB3 ARG A 10 12.035 -9.137 -2.731 1.00 54.23 H new ATOM 0 HG2 ARG A 10 12.837 -10.633 -5.152 1.00 32.23 H new ATOM 0 HG3 ARG A 10 13.997 -10.754 -3.844 1.00 32.23 H new ATOM 0 HD2 ARG A 10 11.016 -11.294 -3.503 1.00 72.23 H new ATOM 0 HD3 ARG A 10 12.193 -12.544 -3.855 1.00 72.23 H new ATOM 0 HE ARG A 10 12.356 -10.815 -1.400 1.00 30.20 H new ATOM 0 HH11 ARG A 10 12.502 -14.045 -2.885 1.00 22.22 H new ATOM 0 HH12 ARG A 10 12.960 -14.819 -1.364 1.00 22.22 H new ATOM 0 HH21 ARG A 10 12.966 -11.807 0.475 1.00 42.04 H new ATOM 0 HH22 ARG A 10 13.221 -13.554 0.531 1.00 42.04 H new ATOM 137 N ARG A 11 12.778 -6.501 -6.142 1.00 24.54 N ATOM 138 CA ARG A 11 13.886 -5.849 -6.840 1.00 71.31 C ATOM 139 C ARG A 11 13.851 -4.335 -6.629 1.00 3.04 C ATOM 140 O ARG A 11 14.501 -3.586 -7.350 1.00 34.53 O ATOM 141 CB ARG A 11 13.856 -6.213 -8.337 1.00 52.31 C ATOM 142 CG ARG A 11 15.257 -6.527 -8.864 1.00 21.11 C ATOM 143 CD ARG A 11 15.164 -6.689 -10.382 1.00 15.20 C ATOM 144 NE ARG A 11 16.471 -6.934 -11.006 1.00 33.30 N ATOM 145 CZ ARG A 11 16.629 -7.267 -12.290 1.00 75.51 C ATOM 146 NH1 ARG A 11 15.572 -7.462 -13.075 1.00 62.54 N ATOM 147 NH2 ARG A 11 17.839 -7.432 -12.811 1.00 3.23 N ATOM 0 H ARG A 11 11.994 -5.879 -5.947 1.00 24.54 H new ATOM 0 HA ARG A 11 14.825 -6.211 -6.422 1.00 71.31 H new ATOM 0 HB2 ARG A 11 13.207 -7.075 -8.490 1.00 52.31 H new ATOM 0 HB3 ARG A 11 13.429 -5.387 -8.905 1.00 52.31 H new ATOM 0 HG2 ARG A 11 15.949 -5.725 -8.608 1.00 21.11 H new ATOM 0 HG3 ARG A 11 15.641 -7.438 -8.406 1.00 21.11 H new ATOM 0 HD2 ARG A 11 14.494 -7.516 -10.615 1.00 15.20 H new ATOM 0 HD3 ARG A 11 14.723 -5.790 -10.813 1.00 15.20 H new ATOM 0 HE ARG A 11 17.305 -6.845 -10.426 1.00 33.30 H new ATOM 0 HH11 ARG A 11 14.630 -7.357 -12.698 1.00 62.54 H new ATOM 0 HH12 ARG A 11 15.704 -7.716 -14.054 1.00 62.54 H new ATOM 0 HH21 ARG A 11 18.667 -7.304 -12.229 1.00 3.23 H new ATOM 0 HH22 ARG A 11 17.941 -7.686 -13.794 1.00 3.23 H new ATOM 158 N THR A 12 13.039 -3.897 -5.677 1.00 22.41 N ATOM 159 CA THR A 12 12.568 -2.531 -5.535 1.00 60.34 C ATOM 160 C THR A 12 12.491 -2.190 -4.041 1.00 64.32 C ATOM 161 O THR A 12 12.907 -2.995 -3.197 1.00 21.52 O ATOM 162 CB THR A 12 11.194 -2.380 -6.238 1.00 43.33 C ATOM 163 OG1 THR A 12 10.833 -3.470 -7.079 1.00 23.22 O ATOM 164 CG2 THR A 12 11.159 -1.102 -7.076 1.00 2.41 C ATOM 0 H THR A 12 12.676 -4.514 -4.951 1.00 22.41 H new ATOM 0 HA THR A 12 13.256 -1.832 -6.010 1.00 60.34 H new ATOM 0 HB THR A 12 10.470 -2.348 -5.424 1.00 43.33 H new ATOM 0 HG1 THR A 12 9.956 -3.297 -7.481 1.00 23.22 H new ATOM 0 HG21 THR A 12 10.188 -1.012 -7.562 1.00 2.41 H new ATOM 0 HG22 THR A 12 11.323 -0.239 -6.431 1.00 2.41 H new ATOM 0 HG23 THR A 12 11.942 -1.142 -7.834 1.00 2.41 H new ATOM 172 N ALA A 13 11.925 -1.023 -3.711 1.00 22.20 N ATOM 173 CA ALA A 13 11.675 -0.586 -2.342 1.00 65.24 C ATOM 174 C ALA A 13 10.811 -1.574 -1.560 1.00 64.52 C ATOM 175 O ALA A 13 10.935 -1.655 -0.343 1.00 72.32 O ATOM 176 CB ALA A 13 10.965 0.764 -2.383 1.00 50.02 C ATOM 0 H ALA A 13 11.623 -0.344 -4.409 1.00 22.20 H new ATOM 0 HA ALA A 13 12.637 -0.517 -1.834 1.00 65.24 H new ATOM 0 HB1 ALA A 13 10.771 1.104 -1.366 1.00 50.02 H new ATOM 0 HB2 ALA A 13 11.595 1.491 -2.895 1.00 50.02 H new ATOM 0 HB3 ALA A 13 10.021 0.662 -2.918 1.00 50.02 H new ATOM 182 N PHE A 14 9.966 -2.339 -2.247 1.00 52.14 N ATOM 183 CA PHE A 14 9.105 -3.350 -1.663 1.00 1.42 C ATOM 184 C PHE A 14 9.397 -4.673 -2.375 1.00 53.25 C ATOM 185 O PHE A 14 9.895 -4.667 -3.512 1.00 14.40 O ATOM 186 CB PHE A 14 7.638 -2.923 -1.817 1.00 63.55 C ATOM 187 CG PHE A 14 7.302 -1.568 -1.212 1.00 34.14 C ATOM 188 CD1 PHE A 14 7.575 -0.386 -1.924 1.00 11.01 C ATOM 189 CD2 PHE A 14 6.739 -1.480 0.071 1.00 53.32 C ATOM 190 CE1 PHE A 14 7.313 0.872 -1.352 1.00 51.30 C ATOM 191 CE2 PHE A 14 6.462 -0.225 0.642 1.00 34.25 C ATOM 192 CZ PHE A 14 6.754 0.953 -0.065 1.00 44.13 C ATOM 0 H PHE A 14 9.863 -2.265 -3.259 1.00 52.14 H new ATOM 0 HA PHE A 14 9.293 -3.472 -0.596 1.00 1.42 H new ATOM 0 HB2 PHE A 14 7.389 -2.903 -2.878 1.00 63.55 H new ATOM 0 HB3 PHE A 14 7.003 -3.679 -1.355 1.00 63.55 H new ATOM 0 HD1 PHE A 14 7.990 -0.445 -2.919 1.00 11.01 H new ATOM 0 HD2 PHE A 14 6.517 -2.381 0.623 1.00 53.32 H new ATOM 0 HE1 PHE A 14 7.541 1.774 -1.901 1.00 51.30 H new ATOM 0 HE2 PHE A 14 6.023 -0.167 1.627 1.00 34.25 H new ATOM 0 HZ PHE A 14 6.550 1.916 0.378 1.00 44.13 H new ATOM 201 N THR A 15 9.082 -5.799 -1.742 1.00 24.11 N ATOM 202 CA THR A 15 9.100 -7.093 -2.410 1.00 64.12 C ATOM 203 C THR A 15 7.711 -7.416 -2.961 1.00 11.03 C ATOM 204 O THR A 15 6.757 -6.686 -2.705 1.00 44.14 O ATOM 205 CB THR A 15 9.671 -8.190 -1.493 1.00 30.52 C ATOM 206 OG1 THR A 15 8.732 -8.595 -0.525 1.00 1.04 O ATOM 207 CG2 THR A 15 10.942 -7.747 -0.756 1.00 12.22 C ATOM 0 H THR A 15 8.809 -5.839 -0.760 1.00 24.11 H new ATOM 0 HA THR A 15 9.777 -7.050 -3.264 1.00 64.12 H new ATOM 0 HB THR A 15 9.914 -9.019 -2.158 1.00 30.52 H new ATOM 0 HG1 THR A 15 9.125 -9.293 0.040 1.00 1.04 H new ATOM 0 HG21 THR A 15 11.299 -8.561 -0.125 1.00 12.22 H new ATOM 0 HG22 THR A 15 11.712 -7.487 -1.482 1.00 12.22 H new ATOM 0 HG23 THR A 15 10.719 -6.878 -0.136 1.00 12.22 H new ATOM 215 N SER A 16 7.591 -8.521 -3.698 1.00 74.55 N ATOM 216 CA SER A 16 6.322 -9.112 -4.104 1.00 2.00 C ATOM 217 C SER A 16 5.432 -9.324 -2.879 1.00 73.13 C ATOM 218 O SER A 16 4.288 -8.883 -2.827 1.00 4.40 O ATOM 219 CB SER A 16 6.601 -10.468 -4.784 1.00 13.32 C ATOM 220 OG SER A 16 7.889 -11.001 -4.462 1.00 4.41 O ATOM 0 H SER A 16 8.400 -9.042 -4.037 1.00 74.55 H new ATOM 0 HA SER A 16 5.811 -8.446 -4.799 1.00 2.00 H new ATOM 0 HB2 SER A 16 5.834 -11.182 -4.486 1.00 13.32 H new ATOM 0 HB3 SER A 16 6.523 -10.349 -5.865 1.00 13.32 H new ATOM 0 HG SER A 16 8.011 -11.860 -4.918 1.00 4.41 H new ATOM 225 N GLU A 17 6.002 -9.998 -1.889 1.00 5.03 N ATOM 226 CA GLU A 17 5.352 -10.440 -0.684 1.00 63.22 C ATOM 227 C GLU A 17 4.863 -9.245 0.137 1.00 30.52 C ATOM 228 O GLU A 17 3.750 -9.267 0.655 1.00 12.41 O ATOM 229 CB GLU A 17 6.415 -11.278 0.024 1.00 65.12 C ATOM 230 CG GLU A 17 5.948 -12.094 1.217 1.00 22.31 C ATOM 231 CD GLU A 17 7.186 -12.719 1.856 1.00 3.14 C ATOM 232 OE1 GLU A 17 7.928 -11.988 2.561 1.00 1.05 O ATOM 233 OE2 GLU A 17 7.515 -13.892 1.561 1.00 31.53 O ATOM 0 H GLU A 17 6.987 -10.261 -1.917 1.00 5.03 H new ATOM 0 HA GLU A 17 4.451 -11.027 -0.861 1.00 63.22 H new ATOM 0 HB2 GLU A 17 6.854 -11.959 -0.705 1.00 65.12 H new ATOM 0 HB3 GLU A 17 7.210 -10.611 0.357 1.00 65.12 H new ATOM 0 HG2 GLU A 17 5.424 -11.461 1.934 1.00 22.31 H new ATOM 0 HG3 GLU A 17 5.247 -12.867 0.902 1.00 22.31 H new ATOM 238 N GLN A 18 5.686 -8.194 0.221 1.00 12.11 N ATOM 239 CA GLN A 18 5.326 -6.954 0.892 1.00 12.32 C ATOM 240 C GLN A 18 4.204 -6.233 0.135 1.00 22.35 C ATOM 241 O GLN A 18 3.264 -5.744 0.753 1.00 3.01 O ATOM 242 CB GLN A 18 6.573 -6.065 1.057 1.00 61.51 C ATOM 243 CG GLN A 18 7.581 -6.676 2.049 1.00 1.35 C ATOM 244 CD GLN A 18 8.851 -5.855 2.268 1.00 62.54 C ATOM 245 OE1 GLN A 18 9.347 -5.180 1.366 1.00 22.24 O ATOM 246 NE2 GLN A 18 9.414 -5.925 3.467 1.00 3.34 N ATOM 0 H GLN A 18 6.624 -8.186 -0.179 1.00 12.11 H new ATOM 0 HA GLN A 18 4.944 -7.183 1.887 1.00 12.32 H new ATOM 0 HB2 GLN A 18 7.053 -5.928 0.088 1.00 61.51 H new ATOM 0 HB3 GLN A 18 6.272 -5.077 1.406 1.00 61.51 H new ATOM 0 HG2 GLN A 18 7.085 -6.813 3.010 1.00 1.35 H new ATOM 0 HG3 GLN A 18 7.864 -7.666 1.692 1.00 1.35 H new ATOM 0 HE21 GLN A 18 8.985 -6.491 4.200 1.00 3.34 H new ATOM 0 HE22 GLN A 18 10.276 -5.413 3.656 1.00 3.34 H new ATOM 253 N LEU A 19 4.283 -6.163 -1.198 1.00 3.03 N ATOM 254 CA LEU A 19 3.302 -5.446 -2.009 1.00 3.02 C ATOM 255 C LEU A 19 1.929 -6.102 -1.975 1.00 53.43 C ATOM 256 O LEU A 19 0.935 -5.376 -1.970 1.00 65.25 O ATOM 257 CB LEU A 19 3.772 -5.349 -3.470 1.00 1.24 C ATOM 258 CG LEU A 19 4.878 -4.310 -3.688 1.00 23.51 C ATOM 259 CD1 LEU A 19 5.550 -4.524 -5.048 1.00 2.13 C ATOM 260 CD2 LEU A 19 4.346 -2.876 -3.595 1.00 23.31 C ATOM 0 H LEU A 19 5.027 -6.601 -1.741 1.00 3.03 H new ATOM 0 HA LEU A 19 3.215 -4.449 -1.577 1.00 3.02 H new ATOM 0 HB2 LEU A 19 4.133 -6.326 -3.793 1.00 1.24 H new ATOM 0 HB3 LEU A 19 2.920 -5.099 -4.102 1.00 1.24 H new ATOM 0 HG LEU A 19 5.610 -4.448 -2.892 1.00 23.51 H new ATOM 0 HD11 LEU A 19 6.333 -3.779 -5.188 1.00 2.13 H new ATOM 0 HD12 LEU A 19 5.988 -5.522 -5.085 1.00 2.13 H new ATOM 0 HD13 LEU A 19 4.808 -4.424 -5.840 1.00 2.13 H new ATOM 0 HD21 LEU A 19 5.164 -2.173 -3.756 1.00 23.31 H new ATOM 0 HD22 LEU A 19 3.580 -2.722 -4.355 1.00 23.31 H new ATOM 0 HD23 LEU A 19 3.915 -2.711 -2.608 1.00 23.31 H new ATOM 271 N LEU A 20 1.857 -7.434 -2.022 1.00 65.31 N ATOM 272 CA LEU A 20 0.586 -8.155 -2.058 1.00 42.05 C ATOM 273 C LEU A 20 -0.151 -8.054 -0.719 1.00 61.11 C ATOM 274 O LEU A 20 -1.376 -8.122 -0.692 1.00 30.40 O ATOM 275 CB LEU A 20 0.828 -9.614 -2.473 1.00 13.03 C ATOM 276 CG LEU A 20 -0.493 -10.415 -2.579 1.00 51.14 C ATOM 277 CD1 LEU A 20 -0.518 -11.276 -3.845 1.00 64.33 C ATOM 278 CD2 LEU A 20 -0.698 -11.318 -1.357 1.00 4.32 C ATOM 0 H LEU A 20 2.677 -8.041 -2.036 1.00 65.31 H new ATOM 0 HA LEU A 20 -0.061 -7.692 -2.803 1.00 42.05 H new ATOM 0 HB2 LEU A 20 1.344 -9.637 -3.433 1.00 13.03 H new ATOM 0 HB3 LEU A 20 1.485 -10.093 -1.747 1.00 13.03 H new ATOM 0 HG LEU A 20 -1.302 -9.686 -2.624 1.00 51.14 H new ATOM 0 HD11 LEU A 20 -1.457 -11.827 -3.892 1.00 64.33 H new ATOM 0 HD12 LEU A 20 -0.429 -10.636 -4.722 1.00 64.33 H new ATOM 0 HD13 LEU A 20 0.314 -11.980 -3.823 1.00 64.33 H new ATOM 0 HD21 LEU A 20 -1.634 -11.866 -1.463 1.00 4.32 H new ATOM 0 HD22 LEU A 20 0.130 -12.024 -1.283 1.00 4.32 H new ATOM 0 HD23 LEU A 20 -0.735 -10.707 -0.455 1.00 4.32 H new ATOM 289 N GLU A 21 0.573 -7.889 0.384 1.00 64.12 N ATOM 290 CA GLU A 21 -0.019 -7.646 1.690 1.00 70.43 C ATOM 291 C GLU A 21 -0.508 -6.199 1.814 1.00 52.02 C ATOM 292 O GLU A 21 -1.595 -5.948 2.321 1.00 23.25 O ATOM 293 CB GLU A 21 1.036 -7.990 2.748 1.00 73.43 C ATOM 294 CG GLU A 21 1.109 -9.508 2.972 1.00 32.34 C ATOM 295 CD GLU A 21 -0.149 -10.089 3.631 1.00 23.44 C ATOM 296 OE1 GLU A 21 -0.984 -9.334 4.186 1.00 44.20 O ATOM 297 OE2 GLU A 21 -0.300 -11.337 3.605 1.00 45.13 O ATOM 0 H GLU A 21 1.592 -7.921 0.394 1.00 64.12 H new ATOM 0 HA GLU A 21 -0.899 -8.273 1.834 1.00 70.43 H new ATOM 0 HB2 GLU A 21 2.010 -7.617 2.431 1.00 73.43 H new ATOM 0 HB3 GLU A 21 0.793 -7.491 3.686 1.00 73.43 H new ATOM 0 HG2 GLU A 21 1.269 -10.002 2.013 1.00 32.34 H new ATOM 0 HG3 GLU A 21 1.974 -9.734 3.595 1.00 32.34 H new ATOM 302 N LEU A 22 0.247 -5.229 1.299 1.00 70.20 N ATOM 303 CA LEU A 22 -0.067 -3.806 1.438 1.00 21.22 C ATOM 304 C LEU A 22 -1.391 -3.433 0.785 1.00 70.51 C ATOM 305 O LEU A 22 -2.112 -2.561 1.279 1.00 43.31 O ATOM 306 CB LEU A 22 1.075 -2.993 0.809 1.00 3.04 C ATOM 307 CG LEU A 22 2.036 -2.319 1.809 1.00 5.03 C ATOM 308 CD1 LEU A 22 2.380 -3.134 3.060 1.00 43.40 C ATOM 309 CD2 LEU A 22 3.352 -1.979 1.107 1.00 44.00 C ATOM 0 H LEU A 22 1.100 -5.409 0.770 1.00 70.20 H new ATOM 0 HA LEU A 22 -0.167 -3.581 2.500 1.00 21.22 H new ATOM 0 HB2 LEU A 22 1.654 -3.652 0.162 1.00 3.04 H new ATOM 0 HB3 LEU A 22 0.641 -2.222 0.172 1.00 3.04 H new ATOM 0 HG LEU A 22 1.492 -1.439 2.152 1.00 5.03 H new ATOM 0 HD11 LEU A 22 3.062 -2.563 3.690 1.00 43.40 H new ATOM 0 HD12 LEU A 22 1.467 -3.351 3.615 1.00 43.40 H new ATOM 0 HD13 LEU A 22 2.856 -4.069 2.765 1.00 43.40 H new ATOM 0 HD21 LEU A 22 4.030 -1.503 1.815 1.00 44.00 H new ATOM 0 HD22 LEU A 22 3.808 -2.893 0.727 1.00 44.00 H new ATOM 0 HD23 LEU A 22 3.157 -1.299 0.278 1.00 44.00 H new ATOM 320 N GLU A 23 -1.716 -4.067 -0.337 1.00 42.22 N ATOM 321 CA GLU A 23 -2.979 -3.846 -1.011 1.00 1.42 C ATOM 322 C GLU A 23 -4.148 -4.517 -0.286 1.00 51.04 C ATOM 323 O GLU A 23 -5.295 -4.121 -0.500 1.00 5.45 O ATOM 324 CB GLU A 23 -2.893 -4.370 -2.440 1.00 23.42 C ATOM 325 CG GLU A 23 -2.471 -5.841 -2.520 1.00 74.12 C ATOM 326 CD GLU A 23 -2.910 -6.440 -3.845 1.00 44.02 C ATOM 327 OE1 GLU A 23 -2.341 -6.028 -4.880 1.00 64.54 O ATOM 328 OE2 GLU A 23 -3.847 -7.271 -3.872 1.00 54.34 O ATOM 0 H GLU A 23 -1.110 -4.745 -0.799 1.00 42.22 H new ATOM 0 HA GLU A 23 -3.168 -2.773 -1.013 1.00 1.42 H new ATOM 0 HB2 GLU A 23 -3.863 -4.250 -2.923 1.00 23.42 H new ATOM 0 HB3 GLU A 23 -2.181 -3.764 -3.000 1.00 23.42 H new ATOM 0 HG2 GLU A 23 -1.389 -5.923 -2.416 1.00 74.12 H new ATOM 0 HG3 GLU A 23 -2.914 -6.400 -1.695 1.00 74.12 H new ATOM 333 N LYS A 24 -3.889 -5.536 0.532 1.00 51.10 N ATOM 334 CA LYS A 24 -4.896 -6.387 1.156 1.00 62.44 C ATOM 335 C LYS A 24 -5.725 -5.549 2.118 1.00 44.10 C ATOM 336 O LYS A 24 -6.951 -5.465 1.988 1.00 53.32 O ATOM 337 CB LYS A 24 -4.158 -7.543 1.850 1.00 65.52 C ATOM 338 CG LYS A 24 -5.025 -8.790 2.031 1.00 43.23 C ATOM 339 CD LYS A 24 -4.159 -10.059 1.963 1.00 21.42 C ATOM 340 CE LYS A 24 -3.693 -10.342 0.524 1.00 5.20 C ATOM 341 NZ LYS A 24 -4.795 -10.844 -0.321 1.00 54.33 N ATOM 0 H LYS A 24 -2.937 -5.800 0.786 1.00 51.10 H new ATOM 0 HA LYS A 24 -5.589 -6.810 0.429 1.00 62.44 H new ATOM 0 HB2 LYS A 24 -3.275 -7.804 1.266 1.00 65.52 H new ATOM 0 HB3 LYS A 24 -3.807 -7.208 2.826 1.00 65.52 H new ATOM 0 HG2 LYS A 24 -5.542 -8.746 2.990 1.00 43.23 H new ATOM 0 HG3 LYS A 24 -5.792 -8.823 1.257 1.00 43.23 H new ATOM 0 HD2 LYS A 24 -3.291 -9.945 2.613 1.00 21.42 H new ATOM 0 HD3 LYS A 24 -4.728 -10.910 2.337 1.00 21.42 H new ATOM 0 HE2 LYS A 24 -3.287 -9.429 0.087 1.00 5.20 H new ATOM 0 HE3 LYS A 24 -2.886 -11.074 0.541 1.00 5.20 H new ATOM 0 HZ1 LYS A 24 -4.414 -11.166 -1.233 1.00 54.33 H new ATOM 0 HZ2 LYS A 24 -5.265 -11.639 0.158 1.00 54.33 H new ATOM 0 HZ3 LYS A 24 -5.483 -10.081 -0.483 1.00 54.33 H new ATOM 351 N GLU A 25 -5.027 -4.832 2.991 1.00 44.00 N ATOM 352 CA GLU A 25 -5.550 -3.774 3.832 1.00 54.33 C ATOM 353 C GLU A 25 -6.348 -2.752 3.005 1.00 23.55 C ATOM 354 O GLU A 25 -7.371 -2.251 3.463 1.00 21.25 O ATOM 355 CB GLU A 25 -4.351 -3.099 4.535 1.00 25.45 C ATOM 356 CG GLU A 25 -3.936 -3.720 5.874 1.00 12.45 C ATOM 357 CD GLU A 25 -3.996 -5.247 5.913 1.00 43.04 C ATOM 358 OE1 GLU A 25 -3.246 -5.916 5.171 1.00 62.23 O ATOM 359 OE2 GLU A 25 -4.828 -5.758 6.693 1.00 4.22 O ATOM 0 H GLU A 25 -4.029 -4.985 3.135 1.00 44.00 H new ATOM 0 HA GLU A 25 -6.238 -4.187 4.570 1.00 54.33 H new ATOM 0 HB2 GLU A 25 -3.495 -3.126 3.861 1.00 25.45 H new ATOM 0 HB3 GLU A 25 -4.593 -2.049 4.701 1.00 25.45 H new ATOM 0 HG2 GLU A 25 -2.919 -3.403 6.107 1.00 12.45 H new ATOM 0 HG3 GLU A 25 -4.581 -3.324 6.659 1.00 12.45 H new ATOM 364 N PHE A 26 -5.958 -2.457 1.760 1.00 21.14 N ATOM 365 CA PHE A 26 -6.536 -1.353 0.995 1.00 41.00 C ATOM 366 C PHE A 26 -7.894 -1.715 0.400 1.00 11.25 C ATOM 367 O PHE A 26 -8.463 -0.941 -0.376 1.00 45.10 O ATOM 368 CB PHE A 26 -5.580 -0.864 -0.107 1.00 45.21 C ATOM 369 CG PHE A 26 -5.800 0.604 -0.433 1.00 2.44 C ATOM 370 CD1 PHE A 26 -5.542 1.591 0.539 1.00 65.22 C ATOM 371 CD2 PHE A 26 -6.352 0.982 -1.668 1.00 32.21 C ATOM 372 CE1 PHE A 26 -5.852 2.937 0.279 1.00 33.35 C ATOM 373 CE2 PHE A 26 -6.647 2.329 -1.940 1.00 1.03 C ATOM 374 CZ PHE A 26 -6.405 3.305 -0.962 1.00 50.33 C ATOM 0 H PHE A 26 -5.236 -2.975 1.259 1.00 21.14 H new ATOM 0 HA PHE A 26 -6.690 -0.537 1.701 1.00 41.00 H new ATOM 0 HB2 PHE A 26 -4.549 -1.015 0.213 1.00 45.21 H new ATOM 0 HB3 PHE A 26 -5.726 -1.462 -1.007 1.00 45.21 H new ATOM 0 HD1 PHE A 26 -5.105 1.312 1.486 1.00 65.22 H new ATOM 0 HD2 PHE A 26 -6.552 0.230 -2.417 1.00 32.21 H new ATOM 0 HE1 PHE A 26 -5.666 3.689 1.031 1.00 33.35 H new ATOM 0 HE2 PHE A 26 -7.058 2.611 -2.898 1.00 1.03 H new ATOM 0 HZ PHE A 26 -6.643 4.339 -1.161 1.00 50.33 H new ATOM 383 N HIS A 27 -8.427 -2.892 0.707 1.00 24.11 N ATOM 384 CA HIS A 27 -9.782 -3.238 0.353 1.00 51.24 C ATOM 385 C HIS A 27 -10.684 -2.804 1.510 1.00 54.34 C ATOM 386 O HIS A 27 -11.419 -1.815 1.371 1.00 44.04 O ATOM 387 CB HIS A 27 -9.842 -4.715 -0.058 1.00 72.12 C ATOM 388 CG HIS A 27 -10.792 -4.968 -1.209 1.00 3.13 C ATOM 389 ND1 HIS A 27 -11.748 -5.959 -1.272 1.00 73.54 N ATOM 390 CD2 HIS A 27 -10.876 -4.244 -2.370 1.00 35.33 C ATOM 391 CE1 HIS A 27 -12.402 -5.825 -2.438 1.00 55.23 C ATOM 392 NE2 HIS A 27 -11.925 -4.772 -3.127 1.00 43.11 N ATOM 0 H HIS A 27 -7.926 -3.626 1.207 1.00 24.11 H new ATOM 0 HA HIS A 27 -10.154 -2.712 -0.526 1.00 51.24 H new ATOM 0 HB2 HIS A 27 -8.843 -5.050 -0.338 1.00 72.12 H new ATOM 0 HB3 HIS A 27 -10.150 -5.313 0.799 1.00 72.12 H new ATOM 0 HD2 HIS A 27 -10.244 -3.414 -2.650 1.00 35.33 H new ATOM 0 HE1 HIS A 27 -13.199 -6.472 -2.775 1.00 55.23 H new ATOM 0 HE2 HIS A 27 -12.263 -4.427 -4.025 1.00 43.11 H new ATOM 399 N CYS A 28 -10.574 -3.452 2.675 1.00 14.03 N ATOM 400 CA CYS A 28 -11.509 -3.269 3.775 1.00 11.24 C ATOM 401 C CYS A 28 -11.085 -2.125 4.698 1.00 2.05 C ATOM 402 O CYS A 28 -11.951 -1.570 5.375 1.00 54.13 O ATOM 403 CB CYS A 28 -11.670 -4.573 4.566 1.00 71.40 C ATOM 404 SG CYS A 28 -12.317 -5.897 3.496 1.00 74.24 S ATOM 0 H CYS A 28 -9.829 -4.119 2.876 1.00 14.03 H new ATOM 0 HA CYS A 28 -12.473 -2.999 3.345 1.00 11.24 H new ATOM 0 HB2 CYS A 28 -10.709 -4.873 4.983 1.00 71.40 H new ATOM 0 HB3 CYS A 28 -12.346 -4.414 5.406 1.00 71.40 H new ATOM 0 HG CYS A 28 -12.443 -6.991 4.187 1.00 74.24 H new ATOM 409 N LYS A 29 -9.811 -1.707 4.702 1.00 45.13 N ATOM 410 CA LYS A 29 -9.289 -0.655 5.573 1.00 23.33 C ATOM 411 C LYS A 29 -8.469 0.362 4.777 1.00 61.31 C ATOM 412 O LYS A 29 -7.243 0.428 4.864 1.00 22.34 O ATOM 413 CB LYS A 29 -8.501 -1.263 6.753 1.00 31.32 C ATOM 414 CG LYS A 29 -9.344 -2.145 7.692 1.00 32.22 C ATOM 415 CD LYS A 29 -10.455 -1.371 8.413 1.00 53.31 C ATOM 416 CE LYS A 29 -11.255 -2.320 9.301 1.00 24.15 C ATOM 417 NZ LYS A 29 -12.435 -1.659 9.887 1.00 23.41 N ATOM 0 H LYS A 29 -9.102 -2.103 4.084 1.00 45.13 H new ATOM 0 HA LYS A 29 -10.129 -0.108 6.001 1.00 23.33 H new ATOM 0 HB2 LYS A 29 -7.678 -1.858 6.357 1.00 31.32 H new ATOM 0 HB3 LYS A 29 -8.058 -0.454 7.334 1.00 31.32 H new ATOM 0 HG2 LYS A 29 -9.790 -2.955 7.115 1.00 32.22 H new ATOM 0 HG3 LYS A 29 -8.690 -2.604 8.433 1.00 32.22 H new ATOM 0 HD2 LYS A 29 -10.022 -0.573 9.016 1.00 53.31 H new ATOM 0 HD3 LYS A 29 -11.114 -0.899 7.684 1.00 53.31 H new ATOM 0 HE2 LYS A 29 -11.575 -3.182 8.716 1.00 24.15 H new ATOM 0 HE3 LYS A 29 -10.615 -2.696 10.099 1.00 24.15 H new ATOM 0 HZ1 LYS A 29 -12.952 -2.336 10.483 1.00 23.41 H new ATOM 0 HZ2 LYS A 29 -12.129 -0.851 10.466 1.00 23.41 H new ATOM 0 HZ3 LYS A 29 -13.058 -1.322 9.126 1.00 23.41 H new ATOM 427 N LYS A 30 -9.162 1.240 4.042 1.00 63.44 N ATOM 428 CA LYS A 30 -8.541 2.344 3.294 1.00 11.04 C ATOM 429 C LYS A 30 -7.720 3.283 4.192 1.00 34.32 C ATOM 430 O LYS A 30 -6.843 3.999 3.693 1.00 72.53 O ATOM 431 CB LYS A 30 -9.628 3.166 2.578 1.00 10.31 C ATOM 432 CG LYS A 30 -10.405 2.445 1.465 1.00 52.01 C ATOM 433 CD LYS A 30 -9.530 2.023 0.276 1.00 13.45 C ATOM 434 CE LYS A 30 -10.314 1.445 -0.920 1.00 43.14 C ATOM 435 NZ LYS A 30 -11.247 0.359 -0.551 1.00 2.03 N ATOM 0 H LYS A 30 -10.177 1.206 3.948 1.00 63.44 H new ATOM 0 HA LYS A 30 -7.859 1.891 2.574 1.00 11.04 H new ATOM 0 HB2 LYS A 30 -10.342 3.512 3.325 1.00 10.31 H new ATOM 0 HB3 LYS A 30 -9.160 4.052 2.150 1.00 10.31 H new ATOM 0 HG2 LYS A 30 -10.885 1.560 1.884 1.00 52.01 H new ATOM 0 HG3 LYS A 30 -11.199 3.099 1.106 1.00 52.01 H new ATOM 0 HD2 LYS A 30 -8.959 2.887 -0.063 1.00 13.45 H new ATOM 0 HD3 LYS A 30 -8.810 1.279 0.617 1.00 13.45 H new ATOM 0 HE2 LYS A 30 -10.876 2.248 -1.397 1.00 43.14 H new ATOM 0 HE3 LYS A 30 -9.607 1.069 -1.659 1.00 43.14 H new ATOM 0 HZ1 LYS A 30 -11.360 -0.290 -1.356 1.00 2.03 H new ATOM 0 HZ2 LYS A 30 -10.867 -0.163 0.264 1.00 2.03 H new ATOM 0 HZ3 LYS A 30 -12.171 0.765 -0.302 1.00 2.03 H new ATOM 445 N TYR A 31 -8.003 3.314 5.495 1.00 64.52 N ATOM 446 CA TYR A 31 -7.322 4.137 6.474 1.00 13.42 C ATOM 447 C TYR A 31 -6.965 3.225 7.633 1.00 42.30 C ATOM 448 O TYR A 31 -7.855 2.694 8.296 1.00 74.22 O ATOM 449 CB TYR A 31 -8.223 5.292 6.930 1.00 25.02 C ATOM 450 CG TYR A 31 -8.564 6.297 5.848 1.00 34.21 C ATOM 451 CD1 TYR A 31 -9.659 6.075 4.987 1.00 42.33 C ATOM 452 CD2 TYR A 31 -7.792 7.465 5.709 1.00 1.42 C ATOM 453 CE1 TYR A 31 -9.958 6.995 3.966 1.00 41.40 C ATOM 454 CE2 TYR A 31 -8.094 8.392 4.699 1.00 12.42 C ATOM 455 CZ TYR A 31 -9.171 8.160 3.819 1.00 70.43 C ATOM 456 OH TYR A 31 -9.409 9.051 2.818 1.00 12.43 O ATOM 0 H TYR A 31 -8.742 2.742 5.905 1.00 64.52 H new ATOM 0 HA TYR A 31 -6.425 4.591 6.053 1.00 13.42 H new ATOM 0 HB2 TYR A 31 -9.150 4.877 7.326 1.00 25.02 H new ATOM 0 HB3 TYR A 31 -7.732 5.815 7.751 1.00 25.02 H new ATOM 0 HD1 TYR A 31 -10.271 5.194 5.112 1.00 42.33 H new ATOM 0 HD2 TYR A 31 -6.966 7.649 6.380 1.00 1.42 H new ATOM 0 HE1 TYR A 31 -10.786 6.812 3.297 1.00 41.40 H new ATOM 0 HE2 TYR A 31 -7.499 9.287 4.596 1.00 12.42 H new ATOM 0 HH TYR A 31 -8.767 9.789 2.878 1.00 12.43 H new ATOM 465 N LEU A 32 -5.667 3.027 7.851 1.00 74.30 N ATOM 466 CA LEU A 32 -5.157 2.388 9.058 1.00 30.52 C ATOM 467 C LEU A 32 -5.336 3.349 10.217 1.00 4.12 C ATOM 468 O LEU A 32 -5.250 4.569 10.033 1.00 63.42 O ATOM 469 CB LEU A 32 -3.660 2.073 8.917 1.00 54.04 C ATOM 470 CG LEU A 32 -3.309 1.072 7.810 1.00 34.32 C ATOM 471 CD1 LEU A 32 -1.813 0.764 7.890 1.00 22.31 C ATOM 472 CD2 LEU A 32 -4.106 -0.236 7.880 1.00 43.31 C ATOM 0 H LEU A 32 -4.939 3.306 7.193 1.00 74.30 H new ATOM 0 HA LEU A 32 -5.700 1.458 9.225 1.00 30.52 H new ATOM 0 HB2 LEU A 32 -3.125 3.003 8.728 1.00 54.04 H new ATOM 0 HB3 LEU A 32 -3.295 1.683 9.867 1.00 54.04 H new ATOM 0 HG LEU A 32 -3.575 1.537 6.861 1.00 34.32 H new ATOM 0 HD11 LEU A 32 -1.546 0.053 7.109 1.00 22.31 H new ATOM 0 HD12 LEU A 32 -1.244 1.684 7.753 1.00 22.31 H new ATOM 0 HD13 LEU A 32 -1.581 0.336 8.865 1.00 22.31 H new ATOM 0 HD21 LEU A 32 -3.801 -0.892 7.064 1.00 43.31 H new ATOM 0 HD22 LEU A 32 -3.914 -0.729 8.833 1.00 43.31 H new ATOM 0 HD23 LEU A 32 -5.170 -0.019 7.792 1.00 43.31 H new ATOM 483 N SER A 33 -5.529 2.794 11.410 1.00 32.42 N ATOM 484 CA SER A 33 -5.558 3.572 12.628 1.00 61.24 C ATOM 485 C SER A 33 -4.142 4.041 12.962 1.00 42.04 C ATOM 486 O SER A 33 -3.150 3.653 12.326 1.00 2.15 O ATOM 487 CB SER A 33 -6.190 2.738 13.752 1.00 70.31 C ATOM 488 OG SER A 33 -5.225 2.004 14.480 1.00 73.43 O ATOM 0 H SER A 33 -5.669 1.794 11.551 1.00 32.42 H new ATOM 0 HA SER A 33 -6.173 4.463 12.504 1.00 61.24 H new ATOM 0 HB2 SER A 33 -6.731 3.397 14.431 1.00 70.31 H new ATOM 0 HB3 SER A 33 -6.921 2.051 13.325 1.00 70.31 H new ATOM 0 HG SER A 33 -5.669 1.489 15.186 1.00 73.43 H new ATOM 493 N LEU A 34 -4.031 4.826 14.028 1.00 52.31 N ATOM 494 CA LEU A 34 -2.759 5.277 14.557 1.00 70.44 C ATOM 495 C LEU A 34 -1.835 4.140 15.015 1.00 3.22 C ATOM 496 O LEU A 34 -0.636 4.409 15.122 1.00 3.02 O ATOM 497 CB LEU A 34 -2.986 6.327 15.659 1.00 62.50 C ATOM 498 CG LEU A 34 -2.862 7.747 15.076 1.00 31.02 C ATOM 499 CD1 LEU A 34 -3.471 8.780 16.022 1.00 45.52 C ATOM 500 CD2 LEU A 34 -1.398 8.112 14.808 1.00 44.54 C ATOM 0 H LEU A 34 -4.836 5.169 14.553 1.00 52.31 H new ATOM 0 HA LEU A 34 -2.222 5.746 13.733 1.00 70.44 H new ATOM 0 HB2 LEU A 34 -3.973 6.193 16.101 1.00 62.50 H new ATOM 0 HB3 LEU A 34 -2.257 6.189 16.458 1.00 62.50 H new ATOM 0 HG LEU A 34 -3.408 7.756 14.133 1.00 31.02 H new ATOM 0 HD11 LEU A 34 -3.371 9.775 15.588 1.00 45.52 H new ATOM 0 HD12 LEU A 34 -4.527 8.555 16.175 1.00 45.52 H new ATOM 0 HD13 LEU A 34 -2.951 8.748 16.979 1.00 45.52 H new ATOM 0 HD21 LEU A 34 -1.344 9.120 14.397 1.00 44.54 H new ATOM 0 HD22 LEU A 34 -0.836 8.070 15.741 1.00 44.54 H new ATOM 0 HD23 LEU A 34 -0.972 7.406 14.095 1.00 44.54 H new ATOM 511 N THR A 35 -2.304 2.892 15.174 1.00 14.41 N ATOM 512 CA THR A 35 -1.449 1.800 15.648 1.00 41.11 C ATOM 513 C THR A 35 -1.298 0.685 14.607 1.00 74.42 C ATOM 514 O THR A 35 -0.237 0.066 14.548 1.00 53.42 O ATOM 515 CB THR A 35 -1.977 1.319 17.012 1.00 24.14 C ATOM 516 OG1 THR A 35 -0.944 0.748 17.786 1.00 22.55 O ATOM 517 CG2 THR A 35 -3.109 0.288 16.950 1.00 41.01 C ATOM 0 H THR A 35 -3.267 2.618 14.981 1.00 14.41 H new ATOM 0 HA THR A 35 -0.431 2.162 15.791 1.00 41.11 H new ATOM 0 HB THR A 35 -2.376 2.228 17.461 1.00 24.14 H new ATOM 0 HG1 THR A 35 -1.306 0.452 18.647 1.00 22.55 H new ATOM 0 HG21 THR A 35 -3.408 0.015 17.962 1.00 41.01 H new ATOM 0 HG22 THR A 35 -3.962 0.715 16.422 1.00 41.01 H new ATOM 0 HG23 THR A 35 -2.763 -0.601 16.422 1.00 41.01 H new ATOM 525 N GLU A 36 -2.300 0.461 13.749 1.00 73.53 N ATOM 526 CA GLU A 36 -2.338 -0.663 12.804 1.00 54.31 C ATOM 527 C GLU A 36 -1.086 -0.678 11.920 1.00 65.23 C ATOM 528 O GLU A 36 -0.456 -1.714 11.723 1.00 51.20 O ATOM 529 CB GLU A 36 -3.598 -0.532 11.936 1.00 45.01 C ATOM 530 CG GLU A 36 -4.909 -0.746 12.694 1.00 51.42 C ATOM 531 CD GLU A 36 -5.259 -2.216 12.841 1.00 31.13 C ATOM 532 OE1 GLU A 36 -4.450 -2.960 13.426 1.00 5.44 O ATOM 533 OE2 GLU A 36 -6.386 -2.604 12.447 1.00 23.51 O ATOM 0 H GLU A 36 -3.120 1.064 13.690 1.00 73.53 H new ATOM 0 HA GLU A 36 -2.363 -1.600 13.360 1.00 54.31 H new ATOM 0 HB2 GLU A 36 -3.611 0.459 11.483 1.00 45.01 H new ATOM 0 HB3 GLU A 36 -3.541 -1.254 11.121 1.00 45.01 H new ATOM 0 HG2 GLU A 36 -4.832 -0.293 13.682 1.00 51.42 H new ATOM 0 HG3 GLU A 36 -5.716 -0.234 12.170 1.00 51.42 H new ATOM 538 N ARG A 37 -0.664 0.505 11.457 1.00 71.50 N ATOM 539 CA ARG A 37 0.549 0.708 10.665 1.00 42.34 C ATOM 540 C ARG A 37 1.778 0.075 11.311 1.00 34.43 C ATOM 541 O ARG A 37 2.623 -0.456 10.597 1.00 4.05 O ATOM 542 CB ARG A 37 0.770 2.216 10.505 1.00 53.12 C ATOM 543 CG ARG A 37 1.989 2.596 9.648 1.00 24.11 C ATOM 544 CD ARG A 37 2.245 4.103 9.734 1.00 3.25 C ATOM 545 NE ARG A 37 2.671 4.518 11.084 1.00 41.41 N ATOM 546 CZ ARG A 37 2.593 5.749 11.595 1.00 5.44 C ATOM 547 NH1 ARG A 37 2.078 6.750 10.892 1.00 10.01 N ATOM 548 NH2 ARG A 37 3.044 5.955 12.821 1.00 52.31 N ATOM 0 H ARG A 37 -1.174 1.371 11.630 1.00 71.50 H new ATOM 0 HA ARG A 37 0.414 0.224 9.698 1.00 42.34 H new ATOM 0 HB2 ARG A 37 -0.122 2.656 10.059 1.00 53.12 H new ATOM 0 HB3 ARG A 37 0.885 2.660 11.494 1.00 53.12 H new ATOM 0 HG2 ARG A 37 2.868 2.050 9.990 1.00 24.11 H new ATOM 0 HG3 ARG A 37 1.818 2.307 8.611 1.00 24.11 H new ATOM 0 HD2 ARG A 37 3.012 4.382 9.011 1.00 3.25 H new ATOM 0 HD3 ARG A 37 1.337 4.641 9.460 1.00 3.25 H new ATOM 0 HE ARG A 37 3.063 3.794 11.686 1.00 41.41 H new ATOM 0 HH11 ARG A 37 1.734 6.585 9.946 1.00 10.01 H new ATOM 0 HH12 ARG A 37 2.026 7.684 11.298 1.00 10.01 H new ATOM 0 HH21 ARG A 37 3.441 5.182 13.355 1.00 52.31 H new ATOM 0 HH22 ARG A 37 2.995 6.887 13.233 1.00 52.31 H new ATOM 559 N SER A 38 1.909 0.188 12.630 1.00 12.03 N ATOM 560 CA SER A 38 3.038 -0.346 13.361 1.00 14.03 C ATOM 561 C SER A 38 3.035 -1.868 13.231 1.00 30.41 C ATOM 562 O SER A 38 4.079 -2.455 12.944 1.00 24.44 O ATOM 563 CB SER A 38 2.944 0.120 14.818 1.00 30.24 C ATOM 564 OG SER A 38 4.173 0.007 15.504 1.00 1.34 O ATOM 0 H SER A 38 1.224 0.659 13.221 1.00 12.03 H new ATOM 0 HA SER A 38 3.983 0.016 12.957 1.00 14.03 H new ATOM 0 HB2 SER A 38 2.612 1.158 14.843 1.00 30.24 H new ATOM 0 HB3 SER A 38 2.187 -0.469 15.336 1.00 30.24 H new ATOM 0 HG SER A 38 4.062 0.317 16.427 1.00 1.34 H new ATOM 569 N GLN A 39 1.870 -2.504 13.396 1.00 65.54 N ATOM 570 CA GLN A 39 1.749 -3.950 13.311 1.00 25.14 C ATOM 571 C GLN A 39 2.071 -4.423 11.897 1.00 71.20 C ATOM 572 O GLN A 39 2.930 -5.288 11.740 1.00 65.42 O ATOM 573 CB GLN A 39 0.365 -4.433 13.771 1.00 61.13 C ATOM 574 CG GLN A 39 -0.007 -3.866 15.150 1.00 25.33 C ATOM 575 CD GLN A 39 -1.084 -4.671 15.869 1.00 3.05 C ATOM 576 OE1 GLN A 39 -0.990 -4.869 17.079 1.00 65.21 O ATOM 577 NE2 GLN A 39 -2.108 -5.146 15.180 1.00 13.34 N ATOM 0 H GLN A 39 0.991 -2.025 13.591 1.00 65.54 H new ATOM 0 HA GLN A 39 2.475 -4.393 13.992 1.00 25.14 H new ATOM 0 HB2 GLN A 39 -0.386 -4.134 13.040 1.00 61.13 H new ATOM 0 HB3 GLN A 39 0.355 -5.522 13.811 1.00 61.13 H new ATOM 0 HG2 GLN A 39 0.887 -3.832 15.773 1.00 25.33 H new ATOM 0 HG3 GLN A 39 -0.351 -2.839 15.031 1.00 25.33 H new ATOM 0 HE21 GLN A 39 -2.172 -4.973 14.177 1.00 13.34 H new ATOM 0 HE22 GLN A 39 -2.834 -5.685 15.652 1.00 13.34 H new ATOM 584 N ILE A 40 1.432 -3.824 10.889 1.00 14.22 N ATOM 585 CA ILE A 40 1.637 -4.124 9.476 1.00 63.41 C ATOM 586 C ILE A 40 3.126 -3.947 9.124 1.00 71.33 C ATOM 587 O ILE A 40 3.707 -4.811 8.466 1.00 74.13 O ATOM 588 CB ILE A 40 0.649 -3.255 8.649 1.00 33.35 C ATOM 589 CG1 ILE A 40 -0.796 -3.806 8.770 1.00 53.11 C ATOM 590 CG2 ILE A 40 1.010 -3.144 7.158 1.00 2.33 C ATOM 591 CD1 ILE A 40 -1.858 -2.716 8.641 1.00 21.44 C ATOM 0 H ILE A 40 0.736 -3.094 11.042 1.00 14.22 H new ATOM 0 HA ILE A 40 1.412 -5.162 9.231 1.00 63.41 H new ATOM 0 HB ILE A 40 0.722 -2.255 9.076 1.00 33.35 H new ATOM 0 HG12 ILE A 40 -0.959 -4.559 7.998 1.00 53.11 H new ATOM 0 HG13 ILE A 40 -0.910 -4.306 9.732 1.00 53.11 H new ATOM 0 HG21 ILE A 40 0.273 -2.522 6.650 1.00 2.33 H new ATOM 0 HG22 ILE A 40 1.997 -2.694 7.055 1.00 2.33 H new ATOM 0 HG23 ILE A 40 1.016 -4.138 6.710 1.00 2.33 H new ATOM 0 HD11 ILE A 40 -2.849 -3.161 8.734 1.00 21.44 H new ATOM 0 HD12 ILE A 40 -1.717 -1.976 9.429 1.00 21.44 H new ATOM 0 HD13 ILE A 40 -1.767 -2.232 7.668 1.00 21.44 H new ATOM 602 N ALA A 41 3.784 -2.863 9.559 1.00 11.11 N ATOM 603 CA ALA A 41 5.204 -2.639 9.290 1.00 64.50 C ATOM 604 C ALA A 41 6.051 -3.765 9.888 1.00 4.43 C ATOM 605 O ALA A 41 6.902 -4.336 9.199 1.00 1.41 O ATOM 606 CB ALA A 41 5.649 -1.273 9.827 1.00 24.42 C ATOM 0 H ALA A 41 3.345 -2.122 10.105 1.00 11.11 H new ATOM 0 HA ALA A 41 5.353 -2.641 8.210 1.00 64.50 H new ATOM 0 HB1 ALA A 41 6.708 -1.127 9.616 1.00 24.42 H new ATOM 0 HB2 ALA A 41 5.071 -0.486 9.343 1.00 24.42 H new ATOM 0 HB3 ALA A 41 5.485 -1.234 10.904 1.00 24.42 H new ATOM 612 N HIS A 42 5.827 -4.088 11.166 1.00 62.23 N ATOM 613 CA HIS A 42 6.593 -5.112 11.864 1.00 54.20 C ATOM 614 C HIS A 42 6.319 -6.520 11.323 1.00 63.11 C ATOM 615 O HIS A 42 7.212 -7.372 11.396 1.00 52.32 O ATOM 616 CB HIS A 42 6.316 -5.040 13.372 1.00 64.10 C ATOM 617 CG HIS A 42 7.096 -3.955 14.079 1.00 74.40 C ATOM 618 ND1 HIS A 42 7.980 -4.157 15.110 1.00 42.13 N ATOM 619 CD2 HIS A 42 7.091 -2.613 13.804 1.00 31.11 C ATOM 620 CE1 HIS A 42 8.501 -2.971 15.453 1.00 33.15 C ATOM 621 NE2 HIS A 42 7.981 -1.984 14.693 1.00 1.34 N ATOM 0 H HIS A 42 5.110 -3.645 11.740 1.00 62.23 H new ATOM 0 HA HIS A 42 7.649 -4.911 11.684 1.00 54.20 H new ATOM 0 HB2 HIS A 42 5.251 -4.872 13.530 1.00 64.10 H new ATOM 0 HB3 HIS A 42 6.557 -6.002 13.824 1.00 64.10 H new ATOM 0 HD2 HIS A 42 6.506 -2.124 13.039 1.00 31.11 H new ATOM 0 HE1 HIS A 42 9.236 -2.825 16.231 1.00 33.15 H new ATOM 0 HE2 HIS A 42 8.190 -0.987 14.751 1.00 1.34 H new ATOM 628 N ALA A 43 5.126 -6.763 10.775 1.00 43.12 N ATOM 629 CA ALA A 43 4.734 -8.020 10.162 1.00 5.33 C ATOM 630 C ALA A 43 5.615 -8.279 8.944 1.00 10.31 C ATOM 631 O ALA A 43 6.203 -9.353 8.806 1.00 70.10 O ATOM 632 CB ALA A 43 3.253 -7.971 9.764 1.00 73.13 C ATOM 0 H ALA A 43 4.386 -6.062 10.748 1.00 43.12 H new ATOM 0 HA ALA A 43 4.866 -8.835 10.874 1.00 5.33 H new ATOM 0 HB1 ALA A 43 2.968 -8.918 9.305 1.00 73.13 H new ATOM 0 HB2 ALA A 43 2.643 -7.800 10.651 1.00 73.13 H new ATOM 0 HB3 ALA A 43 3.094 -7.161 9.053 1.00 73.13 H new ATOM 638 N LEU A 44 5.730 -7.283 8.062 1.00 10.04 N ATOM 639 CA LEU A 44 6.359 -7.459 6.758 1.00 41.40 C ATOM 640 C LEU A 44 7.847 -7.102 6.747 1.00 45.41 C ATOM 641 O LEU A 44 8.500 -7.309 5.722 1.00 42.31 O ATOM 642 CB LEU A 44 5.603 -6.656 5.695 1.00 65.33 C ATOM 643 CG LEU A 44 4.081 -6.879 5.631 1.00 72.41 C ATOM 644 CD1 LEU A 44 3.541 -6.117 4.423 1.00 32.41 C ATOM 645 CD2 LEU A 44 3.690 -8.353 5.508 1.00 33.44 C ATOM 0 H LEU A 44 5.390 -6.337 8.234 1.00 10.04 H new ATOM 0 HA LEU A 44 6.301 -8.522 6.524 1.00 41.40 H new ATOM 0 HB2 LEU A 44 5.787 -5.596 5.871 1.00 65.33 H new ATOM 0 HB3 LEU A 44 6.026 -6.895 4.719 1.00 65.33 H new ATOM 0 HG LEU A 44 3.653 -6.519 6.567 1.00 72.41 H new ATOM 0 HD11 LEU A 44 2.462 -6.259 4.355 1.00 32.41 H new ATOM 0 HD12 LEU A 44 3.761 -5.055 4.535 1.00 32.41 H new ATOM 0 HD13 LEU A 44 4.014 -6.492 3.515 1.00 32.41 H new ATOM 0 HD21 LEU A 44 2.604 -8.439 5.468 1.00 33.44 H new ATOM 0 HD22 LEU A 44 4.121 -8.769 4.597 1.00 33.44 H new ATOM 0 HD23 LEU A 44 4.066 -8.902 6.371 1.00 33.44 H new ATOM 656 N LYS A 45 8.400 -6.585 7.852 1.00 34.34 N ATOM 657 CA LYS A 45 9.734 -5.980 7.935 1.00 74.20 C ATOM 658 C LYS A 45 9.846 -4.775 6.996 1.00 24.44 C ATOM 659 O LYS A 45 10.783 -4.656 6.201 1.00 52.34 O ATOM 660 CB LYS A 45 10.837 -7.037 7.724 1.00 21.42 C ATOM 661 CG LYS A 45 12.189 -6.660 8.350 1.00 54.33 C ATOM 662 CD LYS A 45 12.214 -6.675 9.889 1.00 5.02 C ATOM 663 CE LYS A 45 13.575 -6.215 10.435 1.00 33.45 C ATOM 664 NZ LYS A 45 14.644 -7.220 10.239 1.00 31.25 N ATOM 0 H LYS A 45 7.911 -6.577 8.747 1.00 34.34 H new ATOM 0 HA LYS A 45 9.885 -5.591 8.942 1.00 74.20 H new ATOM 0 HB2 LYS A 45 10.504 -7.985 8.147 1.00 21.42 H new ATOM 0 HB3 LYS A 45 10.975 -7.196 6.654 1.00 21.42 H new ATOM 0 HG2 LYS A 45 12.949 -7.349 7.982 1.00 54.33 H new ATOM 0 HG3 LYS A 45 12.468 -5.664 8.006 1.00 54.33 H new ATOM 0 HD2 LYS A 45 11.428 -6.025 10.273 1.00 5.02 H new ATOM 0 HD3 LYS A 45 11.998 -7.681 10.248 1.00 5.02 H new ATOM 0 HE2 LYS A 45 13.863 -5.286 9.944 1.00 33.45 H new ATOM 0 HE3 LYS A 45 13.479 -5.997 11.499 1.00 33.45 H new ATOM 0 HZ1 LYS A 45 15.538 -6.856 10.626 1.00 31.25 H new ATOM 0 HZ2 LYS A 45 14.387 -8.100 10.730 1.00 31.25 H new ATOM 0 HZ3 LYS A 45 14.759 -7.411 9.223 1.00 31.25 H new ATOM 674 N LEU A 46 8.869 -3.877 7.076 1.00 1.15 N ATOM 675 CA LEU A 46 8.943 -2.524 6.551 1.00 3.25 C ATOM 676 C LEU A 46 9.117 -1.574 7.732 1.00 71.31 C ATOM 677 O LEU A 46 9.268 -1.995 8.880 1.00 34.25 O ATOM 678 CB LEU A 46 7.676 -2.218 5.727 1.00 42.43 C ATOM 679 CG LEU A 46 7.737 -2.812 4.308 1.00 74.33 C ATOM 680 CD1 LEU A 46 6.372 -2.686 3.632 1.00 53.44 C ATOM 681 CD2 LEU A 46 8.789 -2.144 3.406 1.00 14.31 C ATOM 0 H LEU A 46 7.976 -4.081 7.524 1.00 1.15 H new ATOM 0 HA LEU A 46 9.792 -2.401 5.878 1.00 3.25 H new ATOM 0 HB2 LEU A 46 6.804 -2.615 6.246 1.00 42.43 H new ATOM 0 HB3 LEU A 46 7.542 -1.138 5.660 1.00 42.43 H new ATOM 0 HG LEU A 46 8.025 -3.856 4.432 1.00 74.33 H new ATOM 0 HD11 LEU A 46 6.423 -3.108 2.628 1.00 53.44 H new ATOM 0 HD12 LEU A 46 5.626 -3.225 4.215 1.00 53.44 H new ATOM 0 HD13 LEU A 46 6.093 -1.634 3.569 1.00 53.44 H new ATOM 0 HD21 LEU A 46 8.776 -2.613 2.422 1.00 14.31 H new ATOM 0 HD22 LEU A 46 8.561 -1.083 3.305 1.00 14.31 H new ATOM 0 HD23 LEU A 46 9.777 -2.262 3.851 1.00 14.31 H new ATOM 692 N SER A 47 9.100 -0.282 7.439 1.00 13.24 N ATOM 693 CA SER A 47 9.072 0.778 8.432 1.00 63.21 C ATOM 694 C SER A 47 7.839 1.629 8.183 1.00 70.51 C ATOM 695 O SER A 47 7.304 1.661 7.071 1.00 65.51 O ATOM 696 CB SER A 47 10.335 1.627 8.318 1.00 65.23 C ATOM 697 OG SER A 47 11.487 0.829 8.491 1.00 50.34 O ATOM 0 H SER A 47 9.105 0.065 6.480 1.00 13.24 H new ATOM 0 HA SER A 47 9.034 0.356 9.436 1.00 63.21 H new ATOM 0 HB2 SER A 47 10.366 2.114 7.343 1.00 65.23 H new ATOM 0 HB3 SER A 47 10.317 2.417 9.068 1.00 65.23 H new ATOM 0 HG SER A 47 12.288 1.389 8.413 1.00 50.34 H new ATOM 702 N GLU A 48 7.427 2.378 9.199 1.00 33.35 N ATOM 703 CA GLU A 48 6.211 3.174 9.171 1.00 30.31 C ATOM 704 C GLU A 48 6.176 4.159 8.005 1.00 63.13 C ATOM 705 O GLU A 48 5.101 4.451 7.493 1.00 32.41 O ATOM 706 CB GLU A 48 6.109 3.970 10.468 1.00 34.43 C ATOM 707 CG GLU A 48 5.925 3.090 11.706 1.00 52.34 C ATOM 708 CD GLU A 48 5.446 3.953 12.870 1.00 71.43 C ATOM 709 OE1 GLU A 48 6.027 5.034 13.111 1.00 24.22 O ATOM 710 OE2 GLU A 48 4.376 3.643 13.442 1.00 63.44 O ATOM 0 H GLU A 48 7.938 2.449 10.079 1.00 33.35 H new ATOM 0 HA GLU A 48 5.377 2.482 9.053 1.00 30.31 H new ATOM 0 HB2 GLU A 48 7.010 4.571 10.589 1.00 34.43 H new ATOM 0 HB3 GLU A 48 5.271 4.663 10.396 1.00 34.43 H new ATOM 0 HG2 GLU A 48 5.202 2.301 11.501 1.00 52.34 H new ATOM 0 HG3 GLU A 48 6.865 2.602 11.963 1.00 52.34 H new ATOM 715 N VAL A 49 7.333 4.670 7.588 1.00 5.01 N ATOM 716 CA VAL A 49 7.459 5.621 6.500 1.00 13.42 C ATOM 717 C VAL A 49 7.127 4.918 5.196 1.00 4.05 C ATOM 718 O VAL A 49 6.289 5.416 4.453 1.00 45.24 O ATOM 719 CB VAL A 49 8.864 6.256 6.527 1.00 74.33 C ATOM 720 CG1 VAL A 49 9.215 6.980 5.225 1.00 25.54 C ATOM 721 CG2 VAL A 49 8.908 7.291 7.657 1.00 25.25 C ATOM 0 H VAL A 49 8.227 4.424 8.012 1.00 5.01 H new ATOM 0 HA VAL A 49 6.753 6.445 6.606 1.00 13.42 H new ATOM 0 HB VAL A 49 9.581 5.448 6.671 1.00 74.33 H new ATOM 0 HG11 VAL A 49 10.215 7.406 5.304 1.00 25.54 H new ATOM 0 HG12 VAL A 49 9.186 6.273 4.396 1.00 25.54 H new ATOM 0 HG13 VAL A 49 8.494 7.778 5.046 1.00 25.54 H new ATOM 0 HG21 VAL A 49 9.896 7.751 7.691 1.00 25.25 H new ATOM 0 HG22 VAL A 49 8.156 8.059 7.476 1.00 25.25 H new ATOM 0 HG23 VAL A 49 8.704 6.800 8.608 1.00 25.25 H new ATOM 731 N GLN A 50 7.720 3.751 4.925 1.00 53.43 N ATOM 732 CA GLN A 50 7.424 2.992 3.722 1.00 73.23 C ATOM 733 C GLN A 50 5.932 2.671 3.668 1.00 71.52 C ATOM 734 O GLN A 50 5.310 2.876 2.626 1.00 4.15 O ATOM 735 CB GLN A 50 8.277 1.717 3.680 1.00 34.45 C ATOM 736 CG GLN A 50 9.780 1.969 3.471 1.00 13.15 C ATOM 737 CD GLN A 50 10.179 2.021 1.992 1.00 74.12 C ATOM 738 OE1 GLN A 50 10.976 1.221 1.526 1.00 61.20 O ATOM 739 NE2 GLN A 50 9.663 2.956 1.207 1.00 63.43 N ATOM 0 H GLN A 50 8.413 3.315 5.533 1.00 53.43 H new ATOM 0 HA GLN A 50 7.674 3.587 2.844 1.00 73.23 H new ATOM 0 HB2 GLN A 50 8.138 1.170 4.612 1.00 34.45 H new ATOM 0 HB3 GLN A 50 7.913 1.076 2.877 1.00 34.45 H new ATOM 0 HG2 GLN A 50 10.055 2.909 3.949 1.00 13.15 H new ATOM 0 HG3 GLN A 50 10.347 1.181 3.967 1.00 13.15 H new ATOM 0 HE21 GLN A 50 8.997 3.629 1.586 1.00 63.43 H new ATOM 0 HE22 GLN A 50 9.932 3.002 0.224 1.00 63.43 H new ATOM 746 N VAL A 51 5.342 2.241 4.790 1.00 61.11 N ATOM 747 CA VAL A 51 3.923 1.892 4.819 1.00 61.14 C ATOM 748 C VAL A 51 3.097 3.157 4.554 1.00 43.02 C ATOM 749 O VAL A 51 2.229 3.169 3.682 1.00 5.43 O ATOM 750 CB VAL A 51 3.559 1.181 6.143 1.00 43.13 C ATOM 751 CG1 VAL A 51 2.078 0.780 6.193 1.00 34.44 C ATOM 752 CG2 VAL A 51 4.388 -0.100 6.325 1.00 23.31 C ATOM 0 H VAL A 51 5.824 2.128 5.682 1.00 61.11 H new ATOM 0 HA VAL A 51 3.689 1.176 4.031 1.00 61.14 H new ATOM 0 HB VAL A 51 3.773 1.896 6.937 1.00 43.13 H new ATOM 0 HG11 VAL A 51 1.867 0.284 7.140 1.00 34.44 H new ATOM 0 HG12 VAL A 51 1.457 1.671 6.104 1.00 34.44 H new ATOM 0 HG13 VAL A 51 1.857 0.100 5.370 1.00 34.44 H new ATOM 0 HG21 VAL A 51 4.113 -0.581 7.264 1.00 23.31 H new ATOM 0 HG22 VAL A 51 4.192 -0.781 5.497 1.00 23.31 H new ATOM 0 HG23 VAL A 51 5.448 0.152 6.344 1.00 23.31 H new ATOM 762 N LYS A 52 3.380 4.252 5.267 1.00 4.42 N ATOM 763 CA LYS A 52 2.689 5.524 5.107 1.00 11.05 C ATOM 764 C LYS A 52 2.746 5.987 3.660 1.00 71.22 C ATOM 765 O LYS A 52 1.703 6.329 3.114 1.00 2.12 O ATOM 766 CB LYS A 52 3.296 6.561 6.060 1.00 21.32 C ATOM 767 CG LYS A 52 2.629 7.945 5.945 1.00 24.24 C ATOM 768 CD LYS A 52 3.274 8.937 6.917 1.00 73.10 C ATOM 769 CE LYS A 52 4.520 9.533 6.256 1.00 30.44 C ATOM 770 NZ LYS A 52 5.323 10.332 7.204 1.00 42.10 N ATOM 0 H LYS A 52 4.108 4.274 5.981 1.00 4.42 H new ATOM 0 HA LYS A 52 1.637 5.400 5.363 1.00 11.05 H new ATOM 0 HB2 LYS A 52 3.203 6.203 7.085 1.00 21.32 H new ATOM 0 HB3 LYS A 52 4.361 6.658 5.852 1.00 21.32 H new ATOM 0 HG2 LYS A 52 2.722 8.316 4.924 1.00 24.24 H new ATOM 0 HG3 LYS A 52 1.563 7.860 6.158 1.00 24.24 H new ATOM 0 HD2 LYS A 52 2.568 9.727 7.174 1.00 73.10 H new ATOM 0 HD3 LYS A 52 3.543 8.435 7.846 1.00 73.10 H new ATOM 0 HE2 LYS A 52 5.134 8.729 5.849 1.00 30.44 H new ATOM 0 HE3 LYS A 52 4.220 10.161 5.417 1.00 30.44 H new ATOM 0 HZ1 LYS A 52 6.156 10.716 6.715 1.00 42.10 H new ATOM 0 HZ2 LYS A 52 4.747 11.115 7.573 1.00 42.10 H new ATOM 0 HZ3 LYS A 52 5.632 9.728 7.992 1.00 42.10 H new ATOM 780 N ILE A 53 3.930 6.052 3.051 1.00 53.20 N ATOM 781 CA ILE A 53 4.120 6.558 1.696 1.00 64.14 C ATOM 782 C ILE A 53 3.356 5.681 0.700 1.00 2.24 C ATOM 783 O ILE A 53 2.734 6.215 -0.220 1.00 51.23 O ATOM 784 CB ILE A 53 5.634 6.677 1.385 1.00 30.34 C ATOM 785 CG1 ILE A 53 6.237 7.798 2.269 1.00 5.43 C ATOM 786 CG2 ILE A 53 5.889 6.970 -0.109 1.00 13.45 C ATOM 787 CD1 ILE A 53 7.737 8.022 2.068 1.00 43.32 C ATOM 0 H ILE A 53 4.797 5.749 3.495 1.00 53.20 H new ATOM 0 HA ILE A 53 3.706 7.562 1.603 1.00 64.14 H new ATOM 0 HB ILE A 53 6.115 5.725 1.609 1.00 30.34 H new ATOM 0 HG12 ILE A 53 5.712 8.730 2.061 1.00 5.43 H new ATOM 0 HG13 ILE A 53 6.055 7.556 3.316 1.00 5.43 H new ATOM 0 HG21 ILE A 53 6.962 7.046 -0.287 1.00 13.45 H new ATOM 0 HG22 ILE A 53 5.477 6.162 -0.714 1.00 13.45 H new ATOM 0 HG23 ILE A 53 5.408 7.909 -0.383 1.00 13.45 H new ATOM 0 HD11 ILE A 53 8.076 8.823 2.725 1.00 43.32 H new ATOM 0 HD12 ILE A 53 8.277 7.105 2.305 1.00 43.32 H new ATOM 0 HD13 ILE A 53 7.928 8.298 1.031 1.00 43.32 H new ATOM 798 N TRP A 54 3.365 4.358 0.882 1.00 2.03 N ATOM 799 CA TRP A 54 2.629 3.451 0.008 1.00 25.44 C ATOM 800 C TRP A 54 1.127 3.733 0.089 1.00 51.33 C ATOM 801 O TRP A 54 0.497 3.998 -0.940 1.00 52.31 O ATOM 802 CB TRP A 54 2.938 1.989 0.348 1.00 30.42 C ATOM 803 CG TRP A 54 2.602 1.034 -0.746 1.00 2.43 C ATOM 804 CD1 TRP A 54 3.462 0.521 -1.652 1.00 34.11 C ATOM 805 CD2 TRP A 54 1.313 0.431 -1.036 1.00 32.22 C ATOM 806 NE1 TRP A 54 2.789 -0.364 -2.468 1.00 62.45 N ATOM 807 CE2 TRP A 54 1.469 -0.495 -2.107 1.00 33.43 C ATOM 808 CE3 TRP A 54 0.031 0.557 -0.473 1.00 33.44 C ATOM 809 CZ2 TRP A 54 0.410 -1.297 -2.561 1.00 71.41 C ATOM 810 CZ3 TRP A 54 -1.042 -0.198 -0.960 1.00 64.33 C ATOM 811 CH2 TRP A 54 -0.854 -1.134 -1.985 1.00 2.01 C ATOM 0 H TRP A 54 3.877 3.893 1.631 1.00 2.03 H new ATOM 0 HA TRP A 54 2.952 3.625 -1.018 1.00 25.44 H new ATOM 0 HB2 TRP A 54 3.998 1.897 0.585 1.00 30.42 H new ATOM 0 HB3 TRP A 54 2.385 1.709 1.245 1.00 30.42 H new ATOM 0 HD1 TRP A 54 4.511 0.765 -1.726 1.00 34.11 H new ATOM 0 HE1 TRP A 54 3.220 -0.862 -3.247 1.00 62.45 H new ATOM 0 HE3 TRP A 54 -0.128 1.244 0.345 1.00 33.44 H new ATOM 0 HZ2 TRP A 54 0.569 -2.027 -3.341 1.00 71.41 H new ATOM 0 HZ3 TRP A 54 -2.027 -0.057 -0.540 1.00 64.33 H new ATOM 0 HH2 TRP A 54 -1.686 -1.730 -2.331 1.00 2.01 H new ATOM 821 N PHE A 55 0.561 3.708 1.305 1.00 22.52 N ATOM 822 CA PHE A 55 -0.861 3.940 1.562 1.00 24.13 C ATOM 823 C PHE A 55 -1.264 5.337 1.079 1.00 23.52 C ATOM 824 O PHE A 55 -2.313 5.492 0.454 1.00 42.40 O ATOM 825 CB PHE A 55 -1.180 3.769 3.061 1.00 33.54 C ATOM 826 CG PHE A 55 -1.452 2.345 3.535 1.00 10.04 C ATOM 827 CD1 PHE A 55 -0.451 1.352 3.484 1.00 1.43 C ATOM 828 CD2 PHE A 55 -2.723 2.005 4.045 1.00 3.05 C ATOM 829 CE1 PHE A 55 -0.706 0.054 3.962 1.00 5.14 C ATOM 830 CE2 PHE A 55 -2.984 0.698 4.499 1.00 21.14 C ATOM 831 CZ PHE A 55 -1.969 -0.273 4.479 1.00 64.51 C ATOM 0 H PHE A 55 1.095 3.521 2.154 1.00 22.52 H new ATOM 0 HA PHE A 55 -1.439 3.200 1.008 1.00 24.13 H new ATOM 0 HB2 PHE A 55 -0.344 4.168 3.636 1.00 33.54 H new ATOM 0 HB3 PHE A 55 -2.051 4.381 3.298 1.00 33.54 H new ATOM 0 HD1 PHE A 55 0.519 1.591 3.074 1.00 1.43 H new ATOM 0 HD2 PHE A 55 -3.501 2.753 4.087 1.00 3.05 H new ATOM 0 HE1 PHE A 55 0.073 -0.694 3.931 1.00 5.14 H new ATOM 0 HE2 PHE A 55 -3.968 0.441 4.864 1.00 21.14 H new ATOM 0 HZ PHE A 55 -2.160 -1.266 4.859 1.00 64.51 H new ATOM 840 N GLN A 56 -0.423 6.349 1.316 1.00 34.41 N ATOM 841 CA GLN A 56 -0.594 7.707 0.814 1.00 31.02 C ATOM 842 C GLN A 56 -0.750 7.688 -0.704 1.00 73.32 C ATOM 843 O GLN A 56 -1.695 8.272 -1.226 1.00 45.41 O ATOM 844 CB GLN A 56 0.616 8.586 1.190 1.00 50.11 C ATOM 845 CG GLN A 56 0.533 9.298 2.550 1.00 34.13 C ATOM 846 CD GLN A 56 0.930 10.760 2.405 1.00 41.11 C ATOM 847 OE1 GLN A 56 0.125 11.614 2.039 1.00 64.13 O ATOM 848 NE2 GLN A 56 2.175 11.082 2.717 1.00 65.34 N ATOM 0 H GLN A 56 0.419 6.237 1.880 1.00 34.41 H new ATOM 0 HA GLN A 56 -1.491 8.126 1.270 1.00 31.02 H new ATOM 0 HB2 GLN A 56 1.510 7.962 1.182 1.00 50.11 H new ATOM 0 HB3 GLN A 56 0.747 9.340 0.414 1.00 50.11 H new ATOM 0 HG2 GLN A 56 -0.481 9.227 2.944 1.00 34.13 H new ATOM 0 HG3 GLN A 56 1.189 8.805 3.267 1.00 34.13 H new ATOM 0 HE21 GLN A 56 2.828 10.359 3.019 1.00 65.34 H new ATOM 0 HE22 GLN A 56 2.481 12.053 2.656 1.00 65.34 H new ATOM 855 N ASN A 57 0.164 7.028 -1.418 1.00 41.12 N ATOM 856 CA ASN A 57 0.173 7.007 -2.873 1.00 54.50 C ATOM 857 C ASN A 57 -1.069 6.281 -3.391 1.00 32.54 C ATOM 858 O ASN A 57 -1.681 6.702 -4.374 1.00 20.23 O ATOM 859 CB ASN A 57 1.479 6.365 -3.372 1.00 2.43 C ATOM 860 CG ASN A 57 2.498 7.421 -3.762 1.00 31.10 C ATOM 861 OD1 ASN A 57 2.336 8.059 -4.795 1.00 34.14 O ATOM 862 ND2 ASN A 57 3.506 7.666 -2.941 1.00 0.42 N ATOM 0 H ASN A 57 0.921 6.491 -0.996 1.00 41.12 H new ATOM 0 HA ASN A 57 0.138 8.024 -3.263 1.00 54.50 H new ATOM 0 HB2 ASN A 57 1.894 5.726 -2.592 1.00 2.43 H new ATOM 0 HB3 ASN A 57 1.268 5.726 -4.229 1.00 2.43 H new ATOM 0 HD21 ASN A 57 4.175 8.404 -3.161 1.00 0.42 H new ATOM 0 HD22 ASN A 57 3.614 7.117 -2.088 1.00 0.42 H new ATOM 868 N ARG A 58 -1.485 5.211 -2.707 1.00 31.54 N ATOM 869 CA ARG A 58 -2.720 4.494 -3.008 1.00 11.33 C ATOM 870 C ARG A 58 -3.911 5.437 -2.883 1.00 2.23 C ATOM 871 O ARG A 58 -4.658 5.603 -3.847 1.00 12.43 O ATOM 872 CB ARG A 58 -2.837 3.250 -2.100 1.00 34.15 C ATOM 873 CG ARG A 58 -3.124 1.961 -2.890 1.00 60.42 C ATOM 874 CD ARG A 58 -1.895 1.565 -3.716 1.00 34.53 C ATOM 875 NE ARG A 58 -2.072 0.315 -4.470 1.00 21.32 N ATOM 876 CZ ARG A 58 -1.143 -0.191 -5.296 1.00 42.25 C ATOM 877 NH1 ARG A 58 0.043 0.408 -5.411 1.00 22.53 N ATOM 878 NH2 ARG A 58 -1.410 -1.282 -6.002 1.00 15.03 N ATOM 0 H ARG A 58 -0.966 4.817 -1.922 1.00 31.54 H new ATOM 0 HA ARG A 58 -2.707 4.136 -4.037 1.00 11.33 H new ATOM 0 HB2 ARG A 58 -1.911 3.128 -1.538 1.00 34.15 H new ATOM 0 HB3 ARG A 58 -3.633 3.410 -1.373 1.00 34.15 H new ATOM 0 HG2 ARG A 58 -3.386 1.155 -2.204 1.00 60.42 H new ATOM 0 HG3 ARG A 58 -3.981 2.111 -3.547 1.00 60.42 H new ATOM 0 HD2 ARG A 58 -1.661 2.370 -4.413 1.00 34.53 H new ATOM 0 HD3 ARG A 58 -1.038 1.460 -3.050 1.00 34.53 H new ATOM 0 HE ARG A 58 -2.948 -0.195 -4.359 1.00 21.32 H new ATOM 0 HH11 ARG A 58 0.244 1.250 -4.871 1.00 22.53 H new ATOM 0 HH12 ARG A 58 0.750 0.024 -6.039 1.00 22.53 H new ATOM 0 HH21 ARG A 58 -2.320 -1.735 -5.917 1.00 15.03 H new ATOM 0 HH22 ARG A 58 -0.705 -1.668 -6.630 1.00 15.03 H new ATOM 889 N ARG A 59 -4.081 6.101 -1.733 1.00 71.22 N ATOM 890 CA ARG A 59 -5.169 7.061 -1.547 1.00 13.15 C ATOM 891 C ARG A 59 -5.096 8.191 -2.568 1.00 40.22 C ATOM 892 O ARG A 59 -6.144 8.621 -3.050 1.00 20.32 O ATOM 893 CB ARG A 59 -5.203 7.621 -0.116 1.00 14.34 C ATOM 894 CG ARG A 59 -5.598 6.550 0.916 1.00 74.42 C ATOM 895 CD ARG A 59 -6.321 7.139 2.131 1.00 5.44 C ATOM 896 NE ARG A 59 -5.409 7.858 3.029 1.00 50.32 N ATOM 897 CZ ARG A 59 -4.780 7.351 4.094 1.00 42.24 C ATOM 898 NH1 ARG A 59 -4.896 6.062 4.417 1.00 31.35 N ATOM 899 NH2 ARG A 59 -4.032 8.169 4.827 1.00 23.03 N ATOM 0 H ARG A 59 -3.477 5.989 -0.919 1.00 71.22 H new ATOM 0 HA ARG A 59 -6.100 6.518 -1.709 1.00 13.15 H new ATOM 0 HB2 ARG A 59 -4.223 8.025 0.138 1.00 14.34 H new ATOM 0 HB3 ARG A 59 -5.911 8.449 -0.068 1.00 14.34 H new ATOM 0 HG2 ARG A 59 -6.241 5.811 0.439 1.00 74.42 H new ATOM 0 HG3 ARG A 59 -4.703 6.025 1.250 1.00 74.42 H new ATOM 0 HD2 ARG A 59 -7.103 7.818 1.791 1.00 5.44 H new ATOM 0 HD3 ARG A 59 -6.812 6.337 2.682 1.00 5.44 H new ATOM 0 HE ARG A 59 -5.238 8.842 2.820 1.00 50.32 H new ATOM 0 HH11 ARG A 59 -5.473 5.443 3.847 1.00 31.35 H new ATOM 0 HH12 ARG A 59 -4.408 5.695 5.234 1.00 31.35 H new ATOM 0 HH21 ARG A 59 -3.951 9.153 4.571 1.00 23.03 H new ATOM 0 HH22 ARG A 59 -3.539 7.813 5.646 1.00 23.03 H new ATOM 910 N ALA A 60 -3.899 8.663 -2.919 1.00 75.23 N ATOM 911 CA ALA A 60 -3.719 9.793 -3.814 1.00 73.12 C ATOM 912 C ALA A 60 -4.339 9.497 -5.177 1.00 42.32 C ATOM 913 O ALA A 60 -5.279 10.194 -5.574 1.00 34.42 O ATOM 914 CB ALA A 60 -2.241 10.178 -3.916 1.00 42.42 C ATOM 0 H ALA A 60 -3.022 8.264 -2.583 1.00 75.23 H new ATOM 0 HA ALA A 60 -4.241 10.657 -3.402 1.00 73.12 H new ATOM 0 HB1 ALA A 60 -2.132 11.026 -4.592 1.00 42.42 H new ATOM 0 HB2 ALA A 60 -1.867 10.450 -2.929 1.00 42.42 H new ATOM 0 HB3 ALA A 60 -1.670 9.332 -4.300 1.00 42.42 H new ATOM 920 N LYS A 61 -3.865 8.437 -5.844 1.00 0.12 N ATOM 921 CA LYS A 61 -4.447 7.961 -7.099 1.00 11.41 C ATOM 922 C LYS A 61 -5.921 7.624 -6.910 1.00 22.41 C ATOM 923 O LYS A 61 -6.733 8.040 -7.731 1.00 52.34 O ATOM 924 CB LYS A 61 -3.656 6.757 -7.649 1.00 15.11 C ATOM 925 CG LYS A 61 -2.523 7.227 -8.578 1.00 52.41 C ATOM 926 CD LYS A 61 -1.549 6.117 -9.001 1.00 40.53 C ATOM 927 CE LYS A 61 -2.179 5.085 -9.950 1.00 14.11 C ATOM 928 NZ LYS A 61 -1.253 3.969 -10.240 1.00 0.40 N ATOM 0 H LYS A 61 -3.067 7.887 -5.526 1.00 0.12 H new ATOM 0 HA LYS A 61 -4.380 8.760 -7.837 1.00 11.41 H new ATOM 0 HB2 LYS A 61 -3.240 6.181 -6.822 1.00 15.11 H new ATOM 0 HB3 LYS A 61 -4.327 6.093 -8.194 1.00 15.11 H new ATOM 0 HG2 LYS A 61 -2.962 7.669 -9.472 1.00 52.41 H new ATOM 0 HG3 LYS A 61 -1.961 8.015 -8.076 1.00 52.41 H new ATOM 0 HD2 LYS A 61 -0.684 6.568 -9.488 1.00 40.53 H new ATOM 0 HD3 LYS A 61 -1.183 5.606 -8.111 1.00 40.53 H new ATOM 0 HE2 LYS A 61 -3.093 4.692 -9.505 1.00 14.11 H new ATOM 0 HE3 LYS A 61 -2.463 5.574 -10.882 1.00 14.11 H new ATOM 0 HZ1 LYS A 61 -1.714 3.294 -10.883 1.00 0.40 H new ATOM 0 HZ2 LYS A 61 -0.391 4.341 -10.688 1.00 0.40 H new ATOM 0 HZ3 LYS A 61 -1.002 3.487 -9.353 1.00 0.40 H new ATOM 938 N TRP A 62 -6.301 6.932 -5.830 1.00 3.20 N ATOM 939 CA TRP A 62 -7.692 6.534 -5.610 1.00 12.11 C ATOM 940 C TRP A 62 -8.623 7.745 -5.642 1.00 41.55 C ATOM 941 O TRP A 62 -9.682 7.685 -6.256 1.00 35.43 O ATOM 942 CB TRP A 62 -7.851 5.763 -4.297 1.00 40.54 C ATOM 943 CG TRP A 62 -9.240 5.290 -3.983 1.00 72.12 C ATOM 944 CD1 TRP A 62 -9.904 4.289 -4.608 1.00 44.54 C ATOM 945 CD2 TRP A 62 -10.157 5.791 -2.966 1.00 55.22 C ATOM 946 NE1 TRP A 62 -11.146 4.125 -4.027 1.00 22.04 N ATOM 947 CE2 TRP A 62 -11.312 4.960 -2.945 1.00 62.32 C ATOM 948 CE3 TRP A 62 -10.115 6.854 -2.040 1.00 73.34 C ATOM 949 CZ2 TRP A 62 -12.319 5.109 -1.979 1.00 61.11 C ATOM 950 CZ3 TRP A 62 -11.138 7.039 -1.086 1.00 65.00 C ATOM 951 CH2 TRP A 62 -12.225 6.146 -1.035 1.00 2.31 C ATOM 0 H TRP A 62 -5.660 6.636 -5.093 1.00 3.20 H new ATOM 0 HA TRP A 62 -7.974 5.868 -6.425 1.00 12.11 H new ATOM 0 HB2 TRP A 62 -7.190 4.897 -4.323 1.00 40.54 H new ATOM 0 HB3 TRP A 62 -7.511 6.399 -3.480 1.00 40.54 H new ATOM 0 HD1 TRP A 62 -9.521 3.708 -5.434 1.00 44.54 H new ATOM 0 HE1 TRP A 62 -11.852 3.468 -4.358 1.00 22.04 H new ATOM 0 HE3 TRP A 62 -9.282 7.541 -2.062 1.00 73.34 H new ATOM 0 HZ2 TRP A 62 -13.160 4.432 -1.961 1.00 61.11 H new ATOM 0 HZ3 TRP A 62 -11.087 7.867 -0.394 1.00 65.00 H new ATOM 0 HH2 TRP A 62 -12.983 6.257 -0.274 1.00 2.31 H new ATOM 961 N LYS A 63 -8.240 8.872 -5.035 1.00 44.24 N ATOM 962 CA LYS A 63 -9.070 10.073 -5.063 1.00 52.43 C ATOM 963 C LYS A 63 -9.205 10.629 -6.482 1.00 53.52 C ATOM 964 O LYS A 63 -10.269 11.171 -6.767 1.00 63.12 O ATOM 965 CB LYS A 63 -8.485 11.152 -4.141 1.00 43.43 C ATOM 966 CG LYS A 63 -8.471 10.775 -2.650 1.00 11.23 C ATOM 967 CD LYS A 63 -9.634 11.359 -1.845 1.00 75.43 C ATOM 968 CE LYS A 63 -11.012 10.881 -2.314 1.00 42.12 C ATOM 969 NZ LYS A 63 -12.090 11.443 -1.475 1.00 23.21 N ATOM 0 H LYS A 63 -7.365 8.975 -4.522 1.00 44.24 H new ATOM 0 HA LYS A 63 -10.062 9.792 -4.709 1.00 52.43 H new ATOM 0 HB2 LYS A 63 -7.465 11.369 -4.458 1.00 43.43 H new ATOM 0 HB3 LYS A 63 -9.060 12.070 -4.266 1.00 43.43 H new ATOM 0 HG2 LYS A 63 -8.491 9.689 -2.561 1.00 11.23 H new ATOM 0 HG3 LYS A 63 -7.533 11.113 -2.210 1.00 11.23 H new ATOM 0 HD2 LYS A 63 -9.506 11.095 -0.795 1.00 75.43 H new ATOM 0 HD3 LYS A 63 -9.597 12.447 -1.907 1.00 75.43 H new ATOM 0 HE2 LYS A 63 -11.167 11.174 -3.353 1.00 42.12 H new ATOM 0 HE3 LYS A 63 -11.052 9.792 -2.280 1.00 42.12 H new ATOM 0 HZ1 LYS A 63 -13.011 11.101 -1.817 1.00 23.21 H new ATOM 0 HZ2 LYS A 63 -11.954 11.143 -0.489 1.00 23.21 H new ATOM 0 HZ3 LYS A 63 -12.065 12.481 -1.527 1.00 23.21 H new ATOM 979 N ARG A 64 -8.192 10.535 -7.359 1.00 0.10 N ATOM 980 CA ARG A 64 -8.332 10.986 -8.755 1.00 52.53 C ATOM 981 C ARG A 64 -9.034 9.961 -9.649 1.00 0.32 C ATOM 982 O ARG A 64 -9.345 10.247 -10.804 1.00 31.23 O ATOM 983 CB ARG A 64 -6.979 11.379 -9.388 1.00 0.24 C ATOM 984 CG ARG A 64 -6.174 12.492 -8.686 1.00 33.30 C ATOM 985 CD ARG A 64 -5.300 13.225 -9.725 1.00 4.22 C ATOM 986 NE ARG A 64 -4.102 13.874 -9.156 1.00 0.21 N ATOM 987 CZ ARG A 64 -3.480 14.954 -9.660 1.00 61.43 C ATOM 988 NH1 ARG A 64 -4.022 15.670 -10.641 1.00 4.53 N ATOM 989 NH2 ARG A 64 -2.294 15.325 -9.192 1.00 43.21 N ATOM 0 H ARG A 64 -7.274 10.154 -7.130 1.00 0.10 H new ATOM 0 HA ARG A 64 -8.962 11.873 -8.698 1.00 52.53 H new ATOM 0 HB2 ARG A 64 -6.355 10.487 -9.434 1.00 0.24 H new ATOM 0 HB3 ARG A 64 -7.164 11.692 -10.416 1.00 0.24 H new ATOM 0 HG2 ARG A 64 -6.851 13.196 -8.202 1.00 33.30 H new ATOM 0 HG3 ARG A 64 -5.547 12.064 -7.904 1.00 33.30 H new ATOM 0 HD2 ARG A 64 -4.986 12.512 -10.487 1.00 4.22 H new ATOM 0 HD3 ARG A 64 -5.906 13.980 -10.225 1.00 4.22 H new ATOM 0 HE ARG A 64 -3.712 13.467 -8.306 1.00 0.21 H new ATOM 0 HH11 ARG A 64 -4.928 15.403 -11.026 1.00 4.53 H new ATOM 0 HH12 ARG A 64 -3.532 16.486 -11.008 1.00 4.53 H new ATOM 0 HH21 ARG A 64 -1.850 14.790 -8.446 1.00 43.21 H new ATOM 0 HH22 ARG A 64 -1.827 16.145 -9.579 1.00 43.21 H new ATOM 1000 N ILE A 65 -9.212 8.744 -9.165 1.00 71.24 N ATOM 1001 CA ILE A 65 -9.958 7.679 -9.813 1.00 4.34 C ATOM 1002 C ILE A 65 -11.424 7.800 -9.487 1.00 4.53 C ATOM 1003 O ILE A 65 -12.275 7.707 -10.374 1.00 54.22 O ATOM 1004 CB ILE A 65 -9.373 6.312 -9.390 1.00 4.10 C ATOM 1005 CG1 ILE A 65 -8.052 6.115 -10.161 1.00 24.32 C ATOM 1006 CG2 ILE A 65 -10.387 5.160 -9.545 1.00 33.40 C ATOM 1007 CD1 ILE A 65 -7.262 4.868 -9.757 1.00 51.12 C ATOM 0 H ILE A 65 -8.822 8.458 -8.267 1.00 71.24 H new ATOM 0 HA ILE A 65 -9.864 7.761 -10.896 1.00 4.34 H new ATOM 0 HB ILE A 65 -9.154 6.300 -8.322 1.00 4.10 H new ATOM 0 HG12 ILE A 65 -8.273 6.060 -11.227 1.00 24.32 H new ATOM 0 HG13 ILE A 65 -7.423 6.993 -10.010 1.00 24.32 H new ATOM 0 HG21 ILE A 65 -9.924 4.223 -9.234 1.00 33.40 H new ATOM 0 HG22 ILE A 65 -11.260 5.357 -8.923 1.00 33.40 H new ATOM 0 HG23 ILE A 65 -10.695 5.084 -10.588 1.00 33.40 H new ATOM 0 HD11 ILE A 65 -6.349 4.808 -10.349 1.00 51.12 H new ATOM 0 HD12 ILE A 65 -7.006 4.926 -8.699 1.00 51.12 H new ATOM 0 HD13 ILE A 65 -7.868 3.980 -9.935 1.00 51.12 H new ATOM 1018 N LYS A 66 -11.727 7.817 -8.195 1.00 11.22 N ATOM 1019 CA LYS A 66 -13.025 7.488 -7.707 1.00 34.22 C ATOM 1020 C LYS A 66 -13.946 8.608 -8.135 1.00 23.00 C ATOM 1021 O LYS A 66 -13.784 9.745 -7.708 1.00 41.25 O ATOM 1022 CB LYS A 66 -12.917 7.244 -6.202 1.00 53.13 C ATOM 1023 CG LYS A 66 -14.286 7.265 -5.543 1.00 35.41 C ATOM 1024 CD LYS A 66 -14.209 6.649 -4.145 1.00 61.44 C ATOM 1025 CE LYS A 66 -15.376 7.020 -3.230 1.00 15.55 C ATOM 1026 NZ LYS A 66 -16.625 6.278 -3.506 1.00 15.33 N ATOM 0 H LYS A 66 -11.060 8.064 -7.464 1.00 11.22 H new ATOM 0 HA LYS A 66 -13.446 6.569 -8.114 1.00 34.22 H new ATOM 0 HB2 LYS A 66 -12.438 6.282 -6.020 1.00 53.13 H new ATOM 0 HB3 LYS A 66 -12.282 8.007 -5.752 1.00 53.13 H new ATOM 0 HG2 LYS A 66 -14.650 8.290 -5.477 1.00 35.41 H new ATOM 0 HG3 LYS A 66 -15.000 6.712 -6.153 1.00 35.41 H new ATOM 0 HD2 LYS A 66 -14.168 5.564 -4.240 1.00 61.44 H new ATOM 0 HD3 LYS A 66 -13.278 6.963 -3.673 1.00 61.44 H new ATOM 0 HE2 LYS A 66 -15.082 6.842 -2.196 1.00 15.55 H new ATOM 0 HE3 LYS A 66 -15.573 8.088 -3.326 1.00 15.55 H new ATOM 0 HZ1 LYS A 66 -17.329 6.924 -3.917 1.00 15.33 H new ATOM 0 HZ2 LYS A 66 -16.430 5.507 -4.176 1.00 15.33 H new ATOM 0 HZ3 LYS A 66 -16.996 5.880 -2.619 1.00 15.33 H new ATOM 1036 N ALA A 67 -14.931 8.224 -8.932 1.00 22.14 N ATOM 1037 CA ALA A 67 -16.150 8.938 -9.276 1.00 54.33 C ATOM 1038 C ALA A 67 -16.899 9.552 -8.091 1.00 71.13 C ATOM 1039 O ALA A 67 -17.853 10.304 -8.294 1.00 44.21 O ATOM 1040 CB ALA A 67 -17.060 7.895 -9.903 1.00 1.24 C ATOM 0 H ALA A 67 -14.893 7.318 -9.399 1.00 22.14 H new ATOM 0 HA ALA A 67 -15.881 9.775 -9.921 1.00 54.33 H new ATOM 0 HB1 ALA A 67 -18.003 8.360 -10.190 1.00 1.24 H new ATOM 0 HB2 ALA A 67 -16.579 7.476 -10.787 1.00 1.24 H new ATOM 0 HB3 ALA A 67 -17.252 7.099 -9.183 1.00 1.24 H new ATOM 1046 N GLY A 68 -16.518 9.205 -6.866 1.00 22.31 N ATOM 1047 CA GLY A 68 -17.094 9.784 -5.662 1.00 61.41 C ATOM 1048 C GLY A 68 -18.382 9.067 -5.291 1.00 61.02 C ATOM 1049 O GLY A 68 -18.357 8.243 -4.379 1.00 2.31 O ATOM 0 H GLY A 68 -15.796 8.509 -6.682 1.00 22.31 H new ATOM 0 HA2 GLY A 68 -16.381 9.713 -4.840 1.00 61.41 H new ATOM 0 HA3 GLY A 68 -17.293 10.844 -5.820 1.00 61.41 H new ATOM 1053 N ASN A 69 -19.476 9.333 -6.000 1.00 54.42 N ATOM 1054 CA ASN A 69 -20.798 8.792 -5.738 1.00 31.12 C ATOM 1055 C ASN A 69 -21.206 8.087 -7.018 1.00 60.43 C ATOM 1056 O ASN A 69 -21.182 8.692 -8.093 1.00 41.21 O ATOM 1057 CB ASN A 69 -21.814 9.896 -5.410 1.00 41.23 C ATOM 1058 CG ASN A 69 -21.409 10.790 -4.245 1.00 63.04 C ATOM 1059 OD1 ASN A 69 -21.061 10.311 -3.166 1.00 23.33 O ATOM 1060 ND2 ASN A 69 -21.413 12.100 -4.423 1.00 43.13 N ATOM 0 H ASN A 69 -19.460 9.958 -6.806 1.00 54.42 H new ATOM 0 HA ASN A 69 -20.777 8.125 -4.876 1.00 31.12 H new ATOM 0 HB2 ASN A 69 -21.960 10.515 -6.295 1.00 41.23 H new ATOM 0 HB3 ASN A 69 -22.775 9.434 -5.182 1.00 41.23 H new ATOM 0 HD21 ASN A 69 -21.127 12.719 -3.664 1.00 43.13 H new ATOM 0 HD22 ASN A 69 -21.702 12.492 -5.319 1.00 43.13 H new ATOM 1066 N VAL A 70 -21.533 6.808 -6.906 1.00 15.44 N ATOM 1067 CA VAL A 70 -21.915 5.939 -8.020 1.00 64.31 C ATOM 1068 C VAL A 70 -23.187 5.139 -7.717 1.00 54.55 C ATOM 1069 O VAL A 70 -23.533 4.225 -8.474 1.00 53.54 O ATOM 1070 CB VAL A 70 -20.731 5.042 -8.432 1.00 0.43 C ATOM 1071 CG1 VAL A 70 -19.522 5.879 -8.866 1.00 24.04 C ATOM 1072 CG2 VAL A 70 -20.297 4.068 -7.333 1.00 62.15 C ATOM 0 H VAL A 70 -21.541 6.326 -6.007 1.00 15.44 H new ATOM 0 HA VAL A 70 -22.161 6.569 -8.875 1.00 64.31 H new ATOM 0 HB VAL A 70 -21.095 4.453 -9.273 1.00 0.43 H new ATOM 0 HG11 VAL A 70 -18.704 5.217 -9.150 1.00 24.04 H new ATOM 0 HG12 VAL A 70 -19.797 6.502 -9.717 1.00 24.04 H new ATOM 0 HG13 VAL A 70 -19.204 6.514 -8.039 1.00 24.04 H new ATOM 0 HG21 VAL A 70 -19.460 3.467 -7.689 1.00 62.15 H new ATOM 0 HG22 VAL A 70 -19.991 4.629 -6.450 1.00 62.15 H new ATOM 0 HG23 VAL A 70 -21.130 3.414 -7.077 1.00 62.15 H new ATOM 1082 N SER A 71 -23.886 5.491 -6.631 1.00 64.03 N ATOM 1083 CA SER A 71 -24.898 4.653 -6.012 1.00 34.24 C ATOM 1084 C SER A 71 -24.284 3.305 -5.633 1.00 72.01 C ATOM 1085 O SER A 71 -24.991 2.272 -5.631 1.00 32.32 O ATOM 1086 CB SER A 71 -26.134 4.601 -6.927 1.00 54.34 C ATOM 1087 OG SER A 71 -27.237 5.181 -6.264 1.00 75.22 O ATOM 0 H SER A 71 -23.755 6.384 -6.156 1.00 64.03 H new ATOM 0 HA SER A 71 -25.258 5.066 -5.069 1.00 34.24 H new ATOM 0 HB2 SER A 71 -25.934 5.134 -7.857 1.00 54.34 H new ATOM 0 HB3 SER A 71 -26.359 3.568 -7.194 1.00 54.34 H new ATOM 0 HG SER A 71 -28.023 5.149 -6.848 1.00 75.22 H new TER 1092 SER A 71