USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 418 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 18 ASN : amide:sc= -1.64 K(o=-2.1,f=1.7) USER MOD Set 1.2: A 24 THR OG1 : rot -147:sc= -0.456 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.52 K(o=-2.5,f=-10!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.036 X(o=-0.036,f=-0.023) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 152:sc=-0.00782 (180deg=-0.67) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 41 ASN : amide:sc= 0.28 X(o=0.28,f=0.07) USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.101) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 47 THR OG1 : rot -54:sc= 0.711 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.467 X(o=-0.47,f=-0.026) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.831 1.992 -3.099 1.00 73.13 N ATOM 2 CA ALA A 1 2.191 0.597 -2.876 1.00 43.42 C ATOM 3 C ALA A 1 3.705 0.412 -2.892 1.00 51.41 C ATOM 4 O ALA A 1 4.342 0.509 -3.941 1.00 72.33 O ATOM 5 CB ALA A 1 1.538 -0.291 -3.925 1.00 1.13 C ATOM 0 H1 ALA A 1 0.796 2.090 -3.083 1.00 73.13 H new ATOM 0 H2 ALA A 1 2.246 2.582 -2.350 1.00 73.13 H new ATOM 0 H3 ALA A 1 2.194 2.301 -4.023 1.00 73.13 H new ATOM 0 HA ALA A 1 1.826 0.306 -1.891 1.00 43.42 H new ATOM 0 HB1 ALA A 1 1.816 -1.330 -3.746 1.00 1.13 H new ATOM 0 HB2 ALA A 1 0.454 -0.189 -3.864 1.00 1.13 H new ATOM 0 HB3 ALA A 1 1.876 0.009 -4.917 1.00 1.13 H new ATOM 11 N LYS A 2 4.276 0.147 -1.722 1.00 41.12 N ATOM 12 CA LYS A 2 5.715 -0.052 -1.601 1.00 24.15 C ATOM 13 C LYS A 2 6.095 -0.421 -0.170 1.00 34.30 C ATOM 14 O LYS A 2 5.460 0.025 0.786 1.00 54.23 O ATOM 15 CB LYS A 2 6.464 1.213 -2.028 1.00 31.54 C ATOM 16 CG LYS A 2 7.614 0.945 -2.983 1.00 52.23 C ATOM 17 CD LYS A 2 8.831 1.787 -2.640 1.00 42.43 C ATOM 18 CE LYS A 2 8.550 3.272 -2.816 1.00 73.33 C ATOM 19 NZ LYS A 2 9.618 3.949 -3.602 1.00 55.35 N ATOM 0 H LYS A 2 3.764 0.065 -0.844 1.00 41.12 H new ATOM 0 HA LYS A 2 5.999 -0.874 -2.258 1.00 24.15 H new ATOM 0 HB2 LYS A 2 5.762 1.899 -2.502 1.00 31.54 H new ATOM 0 HB3 LYS A 2 6.849 1.714 -1.140 1.00 31.54 H new ATOM 0 HG2 LYS A 2 7.879 -0.112 -2.947 1.00 52.23 H new ATOM 0 HG3 LYS A 2 7.298 1.160 -4.004 1.00 52.23 H new ATOM 0 HD2 LYS A 2 9.131 1.592 -1.610 1.00 42.43 H new ATOM 0 HD3 LYS A 2 9.667 1.496 -3.276 1.00 42.43 H new ATOM 0 HE2 LYS A 2 7.591 3.403 -3.318 1.00 73.33 H new ATOM 0 HE3 LYS A 2 8.465 3.744 -1.837 1.00 73.33 H new ATOM 0 HZ1 LYS A 2 9.390 4.959 -3.700 1.00 55.35 H new ATOM 0 HZ2 LYS A 2 10.529 3.846 -3.111 1.00 55.35 H new ATOM 0 HZ3 LYS A 2 9.682 3.516 -4.545 1.00 55.35 H new ATOM 33 N TYR A 3 7.133 -1.237 -0.030 1.00 63.31 N ATOM 34 CA TYR A 3 7.596 -1.667 1.284 1.00 3.10 C ATOM 35 C TYR A 3 8.934 -1.019 1.629 1.00 71.30 C ATOM 36 O TYR A 3 9.751 -0.747 0.749 1.00 4.32 O ATOM 37 CB TYR A 3 7.728 -3.190 1.329 1.00 70.23 C ATOM 38 CG TYR A 3 6.421 -3.918 1.110 1.00 53.35 C ATOM 39 CD1 TYR A 3 5.386 -3.821 2.032 1.00 41.51 C ATOM 40 CD2 TYR A 3 6.220 -4.703 -0.019 1.00 44.21 C ATOM 41 CE1 TYR A 3 4.190 -4.484 1.836 1.00 1.14 C ATOM 42 CE2 TYR A 3 5.027 -5.368 -0.224 1.00 24.44 C ATOM 43 CZ TYR A 3 4.015 -5.256 0.707 1.00 65.11 C ATOM 44 OH TYR A 3 2.826 -5.919 0.508 1.00 41.25 O ATOM 0 H TYR A 3 7.670 -1.614 -0.811 1.00 63.31 H new ATOM 0 HA TYR A 3 6.858 -1.351 2.022 1.00 3.10 H new ATOM 0 HB2 TYR A 3 8.442 -3.507 0.569 1.00 70.23 H new ATOM 0 HB3 TYR A 3 8.139 -3.482 2.295 1.00 70.23 H new ATOM 0 HD1 TYR A 3 5.519 -3.217 2.917 1.00 41.51 H new ATOM 0 HD2 TYR A 3 7.011 -4.795 -0.749 1.00 44.21 H new ATOM 0 HE1 TYR A 3 3.396 -4.398 2.563 1.00 1.14 H new ATOM 0 HE2 TYR A 3 4.887 -5.972 -1.108 1.00 24.44 H new ATOM 0 HH TYR A 3 2.866 -6.417 -0.335 1.00 41.25 H new ATOM 54 N THR A 4 9.151 -0.775 2.918 1.00 61.52 N ATOM 55 CA THR A 4 10.388 -0.160 3.381 1.00 1.33 C ATOM 56 C THR A 4 11.047 -1.001 4.468 1.00 65.10 C ATOM 57 O THR A 4 10.403 -1.393 5.440 1.00 61.11 O ATOM 58 CB THR A 4 10.139 1.259 3.927 1.00 43.25 C ATOM 59 OG1 THR A 4 9.250 1.969 3.057 1.00 3.31 O ATOM 60 CG2 THR A 4 11.447 2.025 4.059 1.00 50.24 C ATOM 0 H THR A 4 8.486 -0.994 3.659 1.00 61.52 H new ATOM 0 HA THR A 4 11.053 -0.099 2.519 1.00 1.33 H new ATOM 0 HB THR A 4 9.687 1.171 4.915 1.00 43.25 H new ATOM 0 HG1 THR A 4 9.095 2.869 3.412 1.00 3.31 H new ATOM 0 HG21 THR A 4 11.246 3.024 4.446 1.00 50.24 H new ATOM 0 HG22 THR A 4 12.110 1.497 4.744 1.00 50.24 H new ATOM 0 HG23 THR A 4 11.923 2.104 3.081 1.00 50.24 H new ATOM 68 N GLY A 5 12.337 -1.275 4.297 1.00 24.12 N ATOM 69 CA GLY A 5 13.063 -2.068 5.272 1.00 33.22 C ATOM 70 C GLY A 5 14.559 -1.833 5.213 1.00 21.40 C ATOM 71 O GLY A 5 15.013 -0.778 4.769 1.00 72.51 O ATOM 0 H GLY A 5 12.892 -0.962 3.501 1.00 24.12 H new ATOM 0 HA2 GLY A 5 12.700 -1.830 6.272 1.00 33.22 H new ATOM 0 HA3 GLY A 5 12.857 -3.125 5.102 1.00 33.22 H new ATOM 75 N LYS A 6 15.329 -2.818 5.663 1.00 22.04 N ATOM 76 CA LYS A 6 16.784 -2.715 5.661 1.00 54.13 C ATOM 77 C LYS A 6 17.424 -4.055 5.314 1.00 35.40 C ATOM 78 O LYS A 6 16.861 -5.114 5.595 1.00 64.40 O ATOM 79 CB LYS A 6 17.284 -2.237 7.026 1.00 50.34 C ATOM 80 CG LYS A 6 16.441 -1.126 7.627 1.00 11.25 C ATOM 81 CD LYS A 6 15.322 -1.681 8.493 1.00 24.21 C ATOM 82 CE LYS A 6 14.077 -0.811 8.421 1.00 3.42 C ATOM 83 NZ LYS A 6 13.960 0.088 9.603 1.00 51.12 N ATOM 0 H LYS A 6 14.970 -3.697 6.034 1.00 22.04 H new ATOM 0 HA LYS A 6 17.071 -1.988 4.901 1.00 54.13 H new ATOM 0 HB2 LYS A 6 17.300 -3.082 7.714 1.00 50.34 H new ATOM 0 HB3 LYS A 6 18.312 -1.888 6.925 1.00 50.34 H new ATOM 0 HG2 LYS A 6 17.074 -0.471 8.225 1.00 11.25 H new ATOM 0 HG3 LYS A 6 16.017 -0.517 6.828 1.00 11.25 H new ATOM 0 HD2 LYS A 6 15.079 -2.693 8.170 1.00 24.21 H new ATOM 0 HD3 LYS A 6 15.660 -1.749 9.527 1.00 24.21 H new ATOM 0 HE2 LYS A 6 14.104 -0.212 7.511 1.00 3.42 H new ATOM 0 HE3 LYS A 6 13.193 -1.446 8.359 1.00 3.42 H new ATOM 0 HZ1 LYS A 6 13.099 0.665 9.517 1.00 51.12 H new ATOM 0 HZ2 LYS A 6 13.908 -0.484 10.470 1.00 51.12 H new ATOM 0 HZ3 LYS A 6 14.791 0.712 9.648 1.00 51.12 H new ATOM 97 N CYS A 7 18.603 -4.003 4.703 1.00 15.35 N ATOM 98 CA CYS A 7 19.320 -5.212 4.319 1.00 30.32 C ATOM 99 C CYS A 7 20.522 -5.444 5.230 1.00 44.12 C ATOM 100 O CYS A 7 20.667 -4.792 6.265 1.00 43.15 O ATOM 101 CB CYS A 7 19.780 -5.117 2.863 1.00 11.22 C ATOM 102 SG CYS A 7 18.897 -3.858 1.886 1.00 70.54 S ATOM 0 H CYS A 7 19.082 -3.135 4.463 1.00 15.35 H new ATOM 0 HA CYS A 7 18.639 -6.057 4.423 1.00 30.32 H new ATOM 0 HB2 CYS A 7 20.847 -4.894 2.844 1.00 11.22 H new ATOM 0 HB3 CYS A 7 19.649 -6.089 2.387 1.00 11.22 H new ATOM 107 N THR A 8 21.384 -6.377 4.837 1.00 31.44 N ATOM 108 CA THR A 8 22.573 -6.696 5.617 1.00 21.43 C ATOM 109 C THR A 8 23.784 -6.902 4.714 1.00 11.14 C ATOM 110 O THR A 8 23.757 -7.726 3.800 1.00 23.22 O ATOM 111 CB THR A 8 22.363 -7.961 6.471 1.00 74.44 C ATOM 112 OG1 THR A 8 20.968 -8.279 6.540 1.00 21.01 O ATOM 113 CG2 THR A 8 22.914 -7.765 7.875 1.00 53.22 C ATOM 0 H THR A 8 21.280 -6.925 3.983 1.00 31.44 H new ATOM 0 HA THR A 8 22.755 -5.847 6.277 1.00 21.43 H new ATOM 0 HB THR A 8 22.900 -8.784 6.000 1.00 74.44 H new ATOM 0 HG1 THR A 8 20.843 -9.085 7.083 1.00 21.01 H new ATOM 0 HG21 THR A 8 22.754 -8.672 8.459 1.00 53.22 H new ATOM 0 HG22 THR A 8 23.982 -7.552 7.820 1.00 53.22 H new ATOM 0 HG23 THR A 8 22.402 -6.930 8.354 1.00 53.22 H new ATOM 121 N LYS A 9 24.846 -6.148 4.976 1.00 1.22 N ATOM 122 CA LYS A 9 26.069 -6.248 4.189 1.00 41.03 C ATOM 123 C LYS A 9 26.641 -7.661 4.250 1.00 42.35 C ATOM 124 O LYS A 9 27.455 -8.048 3.411 1.00 51.31 O ATOM 125 CB LYS A 9 27.108 -5.243 4.692 1.00 21.52 C ATOM 126 CG LYS A 9 27.431 -5.391 6.169 1.00 14.41 C ATOM 127 CD LYS A 9 28.916 -5.617 6.396 1.00 71.53 C ATOM 128 CE LYS A 9 29.199 -6.073 7.819 1.00 44.11 C ATOM 129 NZ LYS A 9 30.584 -6.601 7.967 1.00 50.11 N ATOM 0 H LYS A 9 24.884 -5.460 5.728 1.00 1.22 H new ATOM 0 HA LYS A 9 25.824 -6.019 3.152 1.00 41.03 H new ATOM 0 HB2 LYS A 9 28.025 -5.361 4.114 1.00 21.52 H new ATOM 0 HB3 LYS A 9 26.743 -4.233 4.508 1.00 21.52 H new ATOM 0 HG2 LYS A 9 27.113 -4.496 6.703 1.00 14.41 H new ATOM 0 HG3 LYS A 9 26.867 -6.227 6.583 1.00 14.41 H new ATOM 0 HD2 LYS A 9 29.283 -6.365 5.693 1.00 71.53 H new ATOM 0 HD3 LYS A 9 29.461 -4.695 6.193 1.00 71.53 H new ATOM 0 HE2 LYS A 9 29.054 -5.238 8.504 1.00 44.11 H new ATOM 0 HE3 LYS A 9 28.484 -6.845 8.102 1.00 44.11 H new ATOM 0 HZ1 LYS A 9 30.738 -6.901 8.951 1.00 50.11 H new ATOM 0 HZ2 LYS A 9 30.715 -7.414 7.332 1.00 50.11 H new ATOM 0 HZ3 LYS A 9 31.267 -5.856 7.722 1.00 50.11 H new ATOM 143 N SER A 10 26.209 -8.427 5.246 1.00 4.22 N ATOM 144 CA SER A 10 26.681 -9.796 5.417 1.00 34.13 C ATOM 145 C SER A 10 26.580 -10.573 4.108 1.00 44.30 C ATOM 146 O SER A 10 27.585 -10.822 3.442 1.00 61.54 O ATOM 147 CB SER A 10 25.872 -10.504 6.506 1.00 2.24 C ATOM 148 OG SER A 10 26.333 -10.146 7.798 1.00 44.13 O ATOM 0 H SER A 10 25.533 -8.123 5.947 1.00 4.22 H new ATOM 0 HA SER A 10 27.728 -9.758 5.718 1.00 34.13 H new ATOM 0 HB2 SER A 10 24.818 -10.244 6.408 1.00 2.24 H new ATOM 0 HB3 SER A 10 25.947 -11.584 6.376 1.00 2.24 H new ATOM 0 HG SER A 10 25.799 -10.610 8.476 1.00 44.13 H new ATOM 154 N LYS A 11 25.360 -10.953 3.745 1.00 50.42 N ATOM 155 CA LYS A 11 25.125 -11.700 2.515 1.00 10.01 C ATOM 156 C LYS A 11 24.152 -10.958 1.605 1.00 54.21 C ATOM 157 O LYS A 11 23.672 -11.507 0.614 1.00 31.34 O ATOM 158 CB LYS A 11 24.578 -13.093 2.837 1.00 50.50 C ATOM 159 CG LYS A 11 25.650 -14.166 2.908 1.00 44.14 C ATOM 160 CD LYS A 11 25.583 -15.101 1.712 1.00 41.13 C ATOM 161 CE LYS A 11 26.663 -16.170 1.778 1.00 2.43 C ATOM 162 NZ LYS A 11 26.150 -17.503 1.359 1.00 24.43 N ATOM 0 H LYS A 11 24.518 -10.756 4.286 1.00 50.42 H new ATOM 0 HA LYS A 11 26.077 -11.801 1.993 1.00 10.01 H new ATOM 0 HB2 LYS A 11 24.050 -13.055 3.790 1.00 50.50 H new ATOM 0 HB3 LYS A 11 23.847 -13.371 2.078 1.00 50.50 H new ATOM 0 HG2 LYS A 11 26.633 -13.697 2.950 1.00 44.14 H new ATOM 0 HG3 LYS A 11 25.531 -14.740 3.827 1.00 44.14 H new ATOM 0 HD2 LYS A 11 24.602 -15.575 1.674 1.00 41.13 H new ATOM 0 HD3 LYS A 11 25.695 -14.526 0.793 1.00 41.13 H new ATOM 0 HE2 LYS A 11 27.497 -15.884 1.137 1.00 2.43 H new ATOM 0 HE3 LYS A 11 27.050 -16.233 2.795 1.00 2.43 H new ATOM 0 HZ1 LYS A 11 26.916 -18.204 1.418 1.00 24.43 H new ATOM 0 HZ2 LYS A 11 25.371 -17.788 1.986 1.00 24.43 H new ATOM 0 HZ3 LYS A 11 25.804 -17.450 0.380 1.00 24.43 H new ATOM 176 N ASN A 12 23.866 -9.706 1.947 1.00 11.33 N ATOM 177 CA ASN A 12 22.950 -8.888 1.160 1.00 63.01 C ATOM 178 C ASN A 12 21.555 -9.504 1.136 1.00 15.30 C ATOM 179 O ASN A 12 21.324 -10.517 0.477 1.00 50.44 O ATOM 180 CB ASN A 12 23.475 -8.730 -0.269 1.00 33.03 C ATOM 181 CG ASN A 12 22.356 -8.609 -1.285 1.00 72.43 C ATOM 182 OD1 ASN A 12 22.028 -9.571 -1.981 1.00 14.23 O ATOM 183 ND2 ASN A 12 21.764 -7.424 -1.376 1.00 44.20 N ATOM 0 H ASN A 12 24.255 -9.236 2.764 1.00 11.33 H new ATOM 0 HA ASN A 12 22.886 -7.905 1.627 1.00 63.01 H new ATOM 0 HB2 ASN A 12 24.110 -7.846 -0.324 1.00 33.03 H new ATOM 0 HB3 ASN A 12 24.100 -9.587 -0.521 1.00 33.03 H new ATOM 0 HD21 ASN A 12 21.005 -7.283 -2.043 1.00 44.20 H new ATOM 0 HD22 ASN A 12 22.068 -6.655 -0.779 1.00 44.20 H new ATOM 190 N GLU A 13 20.628 -8.883 1.860 1.00 74.54 N ATOM 191 CA GLU A 13 19.255 -9.371 1.921 1.00 32.11 C ATOM 192 C GLU A 13 18.333 -8.325 2.542 1.00 23.45 C ATOM 193 O GLU A 13 18.237 -8.214 3.765 1.00 31.20 O ATOM 194 CB GLU A 13 19.187 -10.670 2.727 1.00 10.01 C ATOM 195 CG GLU A 13 18.622 -11.843 1.944 1.00 31.32 C ATOM 196 CD GLU A 13 18.531 -13.109 2.774 1.00 2.14 C ATOM 197 OE1 GLU A 13 18.665 -13.016 4.013 1.00 62.33 O ATOM 198 OE2 GLU A 13 18.327 -14.191 2.187 1.00 74.44 O ATOM 0 H GLU A 13 20.803 -8.043 2.411 1.00 74.54 H new ATOM 0 HA GLU A 13 18.920 -9.566 0.902 1.00 32.11 H new ATOM 0 HB2 GLU A 13 20.188 -10.925 3.075 1.00 10.01 H new ATOM 0 HB3 GLU A 13 18.574 -10.506 3.613 1.00 10.01 H new ATOM 0 HG2 GLU A 13 17.630 -11.584 1.574 1.00 31.32 H new ATOM 0 HG3 GLU A 13 19.249 -12.029 1.072 1.00 31.32 H new ATOM 205 N CYS A 14 17.658 -7.560 1.692 1.00 71.24 N ATOM 206 CA CYS A 14 16.745 -6.522 2.155 1.00 72.42 C ATOM 207 C CYS A 14 15.525 -7.136 2.837 1.00 43.31 C ATOM 208 O CYS A 14 14.682 -7.755 2.187 1.00 1.34 O ATOM 209 CB CYS A 14 16.300 -5.645 0.983 1.00 71.11 C ATOM 210 SG CYS A 14 15.556 -4.059 1.482 1.00 34.10 S ATOM 0 H CYS A 14 17.726 -7.639 0.677 1.00 71.24 H new ATOM 0 HA CYS A 14 17.274 -5.905 2.881 1.00 72.42 H new ATOM 0 HB2 CYS A 14 17.161 -5.445 0.345 1.00 71.11 H new ATOM 0 HB3 CYS A 14 15.579 -6.199 0.382 1.00 71.11 H new ATOM 215 N LYS A 15 15.438 -6.959 4.151 1.00 62.21 N ATOM 216 CA LYS A 15 14.322 -7.493 4.923 1.00 43.12 C ATOM 217 C LYS A 15 13.113 -6.567 4.843 1.00 40.44 C ATOM 218 O LYS A 15 13.204 -5.382 5.164 1.00 2.43 O ATOM 219 CB LYS A 15 14.733 -7.687 6.384 1.00 30.42 C ATOM 220 CG LYS A 15 13.605 -8.182 7.272 1.00 34.24 C ATOM 221 CD LYS A 15 12.921 -7.035 7.997 1.00 3.31 C ATOM 222 CE LYS A 15 13.841 -6.402 9.030 1.00 11.41 C ATOM 223 NZ LYS A 15 13.082 -5.865 10.194 1.00 71.23 N ATOM 0 H LYS A 15 16.127 -6.450 4.704 1.00 62.21 H new ATOM 0 HA LYS A 15 14.047 -8.458 4.498 1.00 43.12 H new ATOM 0 HB2 LYS A 15 15.558 -8.397 6.429 1.00 30.42 H new ATOM 0 HB3 LYS A 15 15.105 -6.741 6.777 1.00 30.42 H new ATOM 0 HG2 LYS A 15 12.874 -8.719 6.668 1.00 34.24 H new ATOM 0 HG3 LYS A 15 13.999 -8.891 8.000 1.00 34.24 H new ATOM 0 HD2 LYS A 15 12.609 -6.281 7.275 1.00 3.31 H new ATOM 0 HD3 LYS A 15 12.018 -7.399 8.487 1.00 3.31 H new ATOM 0 HE2 LYS A 15 14.562 -7.143 9.377 1.00 11.41 H new ATOM 0 HE3 LYS A 15 14.410 -5.597 8.565 1.00 11.41 H new ATOM 0 HZ1 LYS A 15 13.744 -5.442 10.875 1.00 71.23 H new ATOM 0 HZ2 LYS A 15 12.412 -5.140 9.867 1.00 71.23 H new ATOM 0 HZ3 LYS A 15 12.559 -6.638 10.654 1.00 71.23 H new ATOM 237 N TYR A 16 11.982 -7.114 4.413 1.00 34.45 N ATOM 238 CA TYR A 16 10.754 -6.337 4.290 1.00 4.35 C ATOM 239 C TYR A 16 9.533 -7.192 4.613 1.00 52.11 C ATOM 240 O TYR A 16 9.657 -8.313 5.106 1.00 62.20 O ATOM 241 CB TYR A 16 10.630 -5.761 2.879 1.00 73.33 C ATOM 242 CG TYR A 16 10.228 -6.785 1.841 1.00 53.10 C ATOM 243 CD1 TYR A 16 9.041 -6.653 1.131 1.00 74.52 C ATOM 244 CD2 TYR A 16 11.034 -7.884 1.571 1.00 0.33 C ATOM 245 CE1 TYR A 16 8.669 -7.586 0.182 1.00 33.42 C ATOM 246 CE2 TYR A 16 10.671 -8.821 0.624 1.00 52.35 C ATOM 247 CZ TYR A 16 9.487 -8.668 -0.068 1.00 43.12 C ATOM 248 OH TYR A 16 9.121 -9.600 -1.012 1.00 43.11 O ATOM 0 H TYR A 16 11.890 -8.093 4.143 1.00 34.45 H new ATOM 0 HA TYR A 16 10.799 -5.517 5.007 1.00 4.35 H new ATOM 0 HB2 TYR A 16 9.895 -4.956 2.887 1.00 73.33 H new ATOM 0 HB3 TYR A 16 11.584 -5.319 2.591 1.00 73.33 H new ATOM 0 HD1 TYR A 16 8.398 -5.807 1.324 1.00 74.52 H new ATOM 0 HD2 TYR A 16 11.961 -8.008 2.111 1.00 0.33 H new ATOM 0 HE1 TYR A 16 7.743 -7.469 -0.361 1.00 33.42 H new ATOM 0 HE2 TYR A 16 11.310 -9.669 0.426 1.00 52.35 H new ATOM 0 HH TYR A 16 9.807 -10.297 -1.066 1.00 43.11 H new ATOM 258 N LYS A 17 8.351 -6.654 4.330 1.00 22.22 N ATOM 259 CA LYS A 17 7.105 -7.366 4.587 1.00 71.10 C ATOM 260 C LYS A 17 6.401 -7.720 3.281 1.00 42.23 C ATOM 261 O LYS A 17 6.012 -6.838 2.516 1.00 34.04 O ATOM 262 CB LYS A 17 6.180 -6.518 5.463 1.00 3.03 C ATOM 263 CG LYS A 17 6.108 -5.061 5.040 1.00 63.24 C ATOM 264 CD LYS A 17 6.864 -4.162 6.003 1.00 24.14 C ATOM 265 CE LYS A 17 5.938 -3.565 7.052 1.00 23.41 C ATOM 266 NZ LYS A 17 6.671 -2.682 8.001 1.00 51.11 N ATOM 0 H LYS A 17 8.230 -5.727 3.922 1.00 22.22 H new ATOM 0 HA LYS A 17 7.346 -8.290 5.112 1.00 71.10 H new ATOM 0 HB2 LYS A 17 5.177 -6.945 5.437 1.00 3.03 H new ATOM 0 HB3 LYS A 17 6.523 -6.571 6.496 1.00 3.03 H new ATOM 0 HG2 LYS A 17 6.522 -4.951 4.038 1.00 63.24 H new ATOM 0 HG3 LYS A 17 5.065 -4.747 4.990 1.00 63.24 H new ATOM 0 HD2 LYS A 17 7.651 -4.734 6.494 1.00 24.14 H new ATOM 0 HD3 LYS A 17 7.351 -3.360 5.448 1.00 24.14 H new ATOM 0 HE2 LYS A 17 5.151 -2.994 6.559 1.00 23.41 H new ATOM 0 HE3 LYS A 17 5.451 -4.368 7.605 1.00 23.41 H new ATOM 0 HZ1 LYS A 17 6.005 -2.295 8.700 1.00 51.11 H new ATOM 0 HZ2 LYS A 17 7.406 -3.232 8.490 1.00 51.11 H new ATOM 0 HZ3 LYS A 17 7.115 -1.901 7.476 1.00 51.11 H new ATOM 280 N ASN A 18 6.241 -9.016 3.032 1.00 13.52 N ATOM 281 CA ASN A 18 5.583 -9.485 1.818 1.00 33.24 C ATOM 282 C ASN A 18 4.164 -9.959 2.118 1.00 73.25 C ATOM 283 O ASN A 18 3.260 -9.803 1.296 1.00 20.30 O ATOM 284 CB ASN A 18 6.388 -10.620 1.183 1.00 23.42 C ATOM 285 CG ASN A 18 5.982 -11.983 1.711 1.00 43.02 C ATOM 286 OD1 ASN A 18 5.397 -12.791 0.990 1.00 54.22 O ATOM 287 ND2 ASN A 18 6.293 -12.244 2.975 1.00 34.13 N ATOM 0 H ASN A 18 6.558 -9.759 3.654 1.00 13.52 H new ATOM 0 HA ASN A 18 5.529 -8.651 1.118 1.00 33.24 H new ATOM 0 HB2 ASN A 18 6.252 -10.597 0.102 1.00 23.42 H new ATOM 0 HB3 ASN A 18 7.449 -10.461 1.375 1.00 23.42 H new ATOM 0 HD21 ASN A 18 6.046 -13.145 3.385 1.00 34.13 H new ATOM 0 HD22 ASN A 18 6.779 -11.544 3.536 1.00 34.13 H new ATOM 294 N ASP A 19 3.976 -10.538 3.298 1.00 12.35 N ATOM 295 CA ASP A 19 2.667 -11.033 3.708 1.00 74.14 C ATOM 296 C ASP A 19 2.026 -10.097 4.728 1.00 71.14 C ATOM 297 O ASP A 19 1.298 -10.537 5.617 1.00 25.24 O ATOM 298 CB ASP A 19 2.791 -12.440 4.295 1.00 12.21 C ATOM 299 CG ASP A 19 1.711 -13.376 3.789 1.00 63.03 C ATOM 300 OD1 ASP A 19 0.621 -12.885 3.428 1.00 33.14 O ATOM 301 OD2 ASP A 19 1.957 -14.600 3.752 1.00 42.42 O ATOM 0 H ASP A 19 4.714 -10.676 3.988 1.00 12.35 H new ATOM 0 HA ASP A 19 2.028 -11.071 2.826 1.00 74.14 H new ATOM 0 HB2 ASP A 19 3.769 -12.850 4.045 1.00 12.21 H new ATOM 0 HB3 ASP A 19 2.738 -12.383 5.382 1.00 12.21 H new ATOM 306 N ALA A 20 2.302 -8.804 4.592 1.00 23.23 N ATOM 307 CA ALA A 20 1.752 -7.806 5.501 1.00 22.32 C ATOM 308 C ALA A 20 2.416 -7.887 6.872 1.00 40.23 C ATOM 309 O ALA A 20 1.785 -7.625 7.894 1.00 15.15 O ATOM 310 CB ALA A 20 0.247 -7.983 5.631 1.00 74.13 C ATOM 0 H ALA A 20 2.903 -8.423 3.861 1.00 23.23 H new ATOM 0 HA ALA A 20 1.956 -6.820 5.085 1.00 22.32 H new ATOM 0 HB1 ALA A 20 -0.150 -7.231 6.313 1.00 74.13 H new ATOM 0 HB2 ALA A 20 -0.219 -7.868 4.652 1.00 74.13 H new ATOM 0 HB3 ALA A 20 0.030 -8.977 6.021 1.00 74.13 H new ATOM 316 N GLY A 21 3.695 -8.252 6.885 1.00 54.24 N ATOM 317 CA GLY A 21 4.422 -8.361 8.135 1.00 23.14 C ATOM 318 C GLY A 21 5.431 -9.493 8.122 1.00 13.35 C ATOM 319 O GLY A 21 6.377 -9.501 8.910 1.00 11.43 O ATOM 0 H GLY A 21 4.240 -8.474 6.052 1.00 54.24 H new ATOM 0 HA2 GLY A 21 4.937 -7.422 8.335 1.00 23.14 H new ATOM 0 HA3 GLY A 21 3.716 -8.517 8.950 1.00 23.14 H new ATOM 323 N LYS A 22 5.229 -10.453 7.227 1.00 53.14 N ATOM 324 CA LYS A 22 6.127 -11.596 7.114 1.00 50.24 C ATOM 325 C LYS A 22 7.555 -11.140 6.833 1.00 42.32 C ATOM 326 O LYS A 22 7.844 -10.593 5.768 1.00 2.13 O ATOM 327 CB LYS A 22 5.653 -12.535 6.003 1.00 73.53 C ATOM 328 CG LYS A 22 4.747 -13.651 6.495 1.00 52.10 C ATOM 329 CD LYS A 22 5.523 -14.693 7.283 1.00 10.31 C ATOM 330 CE LYS A 22 4.703 -15.240 8.442 1.00 42.14 C ATOM 331 NZ LYS A 22 4.066 -16.543 8.104 1.00 42.23 N ATOM 0 H LYS A 22 4.450 -10.462 6.568 1.00 53.14 H new ATOM 0 HA LYS A 22 6.115 -12.131 8.064 1.00 50.24 H new ATOM 0 HB2 LYS A 22 5.122 -11.953 5.249 1.00 73.53 H new ATOM 0 HB3 LYS A 22 6.523 -12.973 5.514 1.00 73.53 H new ATOM 0 HG2 LYS A 22 3.959 -13.232 7.121 1.00 52.10 H new ATOM 0 HG3 LYS A 22 4.259 -14.126 5.644 1.00 52.10 H new ATOM 0 HD2 LYS A 22 5.811 -15.510 6.622 1.00 10.31 H new ATOM 0 HD3 LYS A 22 6.444 -14.251 7.664 1.00 10.31 H new ATOM 0 HE2 LYS A 22 5.345 -15.365 9.314 1.00 42.14 H new ATOM 0 HE3 LYS A 22 3.932 -14.519 8.714 1.00 42.14 H new ATOM 0 HZ1 LYS A 22 3.516 -16.883 8.919 1.00 42.23 H new ATOM 0 HZ2 LYS A 22 3.434 -16.419 7.288 1.00 42.23 H new ATOM 0 HZ3 LYS A 22 4.802 -17.239 7.869 1.00 42.23 H new ATOM 345 N ASP A 23 8.444 -11.369 7.793 1.00 61.21 N ATOM 346 CA ASP A 23 9.843 -10.984 7.648 1.00 61.05 C ATOM 347 C ASP A 23 10.500 -11.745 6.500 1.00 53.43 C ATOM 348 O ASP A 23 11.000 -12.855 6.682 1.00 44.04 O ATOM 349 CB ASP A 23 10.604 -11.244 8.949 1.00 54.31 C ATOM 350 CG ASP A 23 10.470 -12.678 9.421 1.00 33.03 C ATOM 351 OD1 ASP A 23 11.441 -13.448 9.265 1.00 10.31 O ATOM 352 OD2 ASP A 23 9.394 -13.031 9.948 1.00 10.31 O ATOM 0 H ASP A 23 8.221 -11.820 8.680 1.00 61.21 H new ATOM 0 HA ASP A 23 9.879 -9.918 7.422 1.00 61.05 H new ATOM 0 HB2 ASP A 23 11.658 -11.010 8.803 1.00 54.31 H new ATOM 0 HB3 ASP A 23 10.233 -10.573 9.724 1.00 54.31 H new ATOM 357 N THR A 24 10.493 -11.140 5.316 1.00 63.15 N ATOM 358 CA THR A 24 11.086 -11.761 4.137 1.00 12.35 C ATOM 359 C THR A 24 12.292 -10.968 3.647 1.00 61.53 C ATOM 360 O THR A 24 12.257 -9.739 3.586 1.00 62.34 O ATOM 361 CB THR A 24 10.064 -11.880 2.991 1.00 34.24 C ATOM 362 OG1 THR A 24 8.965 -12.703 3.399 1.00 60.44 O ATOM 363 CG2 THR A 24 10.712 -12.469 1.748 1.00 74.35 C ATOM 0 H THR A 24 10.083 -10.221 5.148 1.00 63.15 H new ATOM 0 HA THR A 24 11.407 -12.760 4.433 1.00 12.35 H new ATOM 0 HB THR A 24 9.700 -10.881 2.752 1.00 34.24 H new ATOM 0 HG1 THR A 24 8.623 -13.198 2.626 1.00 60.44 H new ATOM 0 HG21 THR A 24 9.971 -12.544 0.952 1.00 74.35 H new ATOM 0 HG22 THR A 24 11.529 -11.825 1.424 1.00 74.35 H new ATOM 0 HG23 THR A 24 11.101 -13.461 1.976 1.00 74.35 H new ATOM 371 N PHE A 25 13.359 -11.680 3.297 1.00 53.32 N ATOM 372 CA PHE A 25 14.577 -11.042 2.811 1.00 20.31 C ATOM 373 C PHE A 25 14.669 -11.133 1.291 1.00 42.33 C ATOM 374 O PHE A 25 14.490 -12.204 0.710 1.00 13.31 O ATOM 375 CB PHE A 25 15.807 -11.693 3.447 1.00 30.05 C ATOM 376 CG PHE A 25 15.609 -12.068 4.888 1.00 10.55 C ATOM 377 CD1 PHE A 25 15.032 -11.175 5.777 1.00 2.32 C ATOM 378 CD2 PHE A 25 16.000 -13.312 5.354 1.00 22.54 C ATOM 379 CE1 PHE A 25 14.848 -11.516 7.104 1.00 62.32 C ATOM 380 CE2 PHE A 25 15.818 -13.660 6.680 1.00 43.23 C ATOM 381 CZ PHE A 25 15.243 -12.760 7.556 1.00 72.23 C ATOM 0 H PHE A 25 13.405 -12.698 3.341 1.00 53.32 H new ATOM 0 HA PHE A 25 14.544 -9.990 3.093 1.00 20.31 H new ATOM 0 HB2 PHE A 25 16.069 -12.586 2.880 1.00 30.05 H new ATOM 0 HB3 PHE A 25 16.651 -11.008 3.371 1.00 30.05 H new ATOM 0 HD1 PHE A 25 14.722 -10.201 5.429 1.00 2.32 H new ATOM 0 HD2 PHE A 25 16.452 -14.019 4.674 1.00 22.54 H new ATOM 0 HE1 PHE A 25 14.396 -10.811 7.786 1.00 62.32 H new ATOM 0 HE2 PHE A 25 16.125 -14.634 7.030 1.00 43.23 H new ATOM 0 HZ PHE A 25 15.103 -13.029 8.593 1.00 72.23 H new ATOM 391 N ILE A 26 14.949 -10.001 0.653 1.00 65.43 N ATOM 392 CA ILE A 26 15.066 -9.953 -0.799 1.00 51.45 C ATOM 393 C ILE A 26 16.278 -9.131 -1.226 1.00 75.04 C ATOM 394 O ILE A 26 16.365 -7.937 -0.939 1.00 31.11 O ATOM 395 CB ILE A 26 13.802 -9.356 -1.446 1.00 33.11 C ATOM 396 CG1 ILE A 26 13.987 -9.231 -2.960 1.00 10.05 C ATOM 397 CG2 ILE A 26 13.482 -8.001 -0.832 1.00 72.31 C ATOM 398 CD1 ILE A 26 14.297 -10.545 -3.641 1.00 62.31 C ATOM 0 H ILE A 26 15.099 -9.106 1.119 1.00 65.43 H new ATOM 0 HA ILE A 26 15.188 -10.981 -1.140 1.00 51.45 H new ATOM 0 HB ILE A 26 12.964 -10.026 -1.256 1.00 33.11 H new ATOM 0 HG12 ILE A 26 13.080 -8.810 -3.395 1.00 10.05 H new ATOM 0 HG13 ILE A 26 14.794 -8.527 -3.162 1.00 10.05 H new ATOM 0 HG21 ILE A 26 12.586 -7.592 -1.300 1.00 72.31 H new ATOM 0 HG22 ILE A 26 13.312 -8.118 0.238 1.00 72.31 H new ATOM 0 HG23 ILE A 26 14.319 -7.321 -0.994 1.00 72.31 H new ATOM 0 HD11 ILE A 26 14.415 -10.381 -4.712 1.00 62.31 H new ATOM 0 HD12 ILE A 26 15.220 -10.957 -3.233 1.00 62.31 H new ATOM 0 HD13 ILE A 26 13.480 -11.245 -3.469 1.00 62.31 H new ATOM 410 N LYS A 27 17.211 -9.778 -1.916 1.00 53.04 N ATOM 411 CA LYS A 27 18.417 -9.108 -2.387 1.00 62.02 C ATOM 412 C LYS A 27 18.068 -7.942 -3.306 1.00 45.33 C ATOM 413 O LYS A 27 16.898 -7.595 -3.469 1.00 3.50 O ATOM 414 CB LYS A 27 19.321 -10.099 -3.124 1.00 22.11 C ATOM 415 CG LYS A 27 19.689 -11.318 -2.296 1.00 74.51 C ATOM 416 CD LYS A 27 20.868 -12.065 -2.896 1.00 61.13 C ATOM 417 CE LYS A 27 20.615 -13.564 -2.940 1.00 71.21 C ATOM 418 NZ LYS A 27 21.822 -14.342 -2.546 1.00 32.32 N ATOM 0 H LYS A 27 17.155 -10.766 -2.162 1.00 53.04 H new ATOM 0 HA LYS A 27 18.948 -8.717 -1.519 1.00 62.02 H new ATOM 0 HB2 LYS A 27 18.820 -10.427 -4.035 1.00 22.11 H new ATOM 0 HB3 LYS A 27 20.234 -9.588 -3.429 1.00 22.11 H new ATOM 0 HG2 LYS A 27 19.933 -11.008 -1.280 1.00 74.51 H new ATOM 0 HG3 LYS A 27 18.830 -11.986 -2.229 1.00 74.51 H new ATOM 0 HD2 LYS A 27 21.058 -11.697 -3.904 1.00 61.13 H new ATOM 0 HD3 LYS A 27 21.764 -11.863 -2.309 1.00 61.13 H new ATOM 0 HE2 LYS A 27 19.789 -13.813 -2.273 1.00 71.21 H new ATOM 0 HE3 LYS A 27 20.310 -13.851 -3.946 1.00 71.21 H new ATOM 0 HZ1 LYS A 27 21.609 -15.359 -2.589 1.00 32.32 H new ATOM 0 HZ2 LYS A 27 22.603 -14.124 -3.197 1.00 32.32 H new ATOM 0 HZ3 LYS A 27 22.098 -14.087 -1.576 1.00 32.32 H new ATOM 432 N CYS A 28 19.091 -7.341 -3.906 1.00 73.14 N ATOM 433 CA CYS A 28 18.893 -6.215 -4.810 1.00 52.53 C ATOM 434 C CYS A 28 19.189 -6.616 -6.253 1.00 10.35 C ATOM 435 O CYS A 28 20.275 -6.374 -6.780 1.00 11.11 O ATOM 436 CB CYS A 28 19.787 -5.043 -4.401 1.00 42.55 C ATOM 437 SG CYS A 28 19.328 -3.454 -5.166 1.00 73.44 S ATOM 0 H CYS A 28 20.065 -7.616 -3.782 1.00 73.14 H new ATOM 0 HA CYS A 28 17.849 -5.908 -4.744 1.00 52.53 H new ATOM 0 HB2 CYS A 28 19.753 -4.935 -3.317 1.00 42.55 H new ATOM 0 HB3 CYS A 28 20.818 -5.277 -4.666 1.00 42.55 H new ATOM 442 N PRO A 29 18.201 -7.244 -6.907 1.00 14.43 N ATOM 443 CA PRO A 29 18.331 -7.691 -8.297 1.00 14.03 C ATOM 444 C PRO A 29 18.373 -6.526 -9.279 1.00 41.32 C ATOM 445 O PRO A 29 18.810 -6.678 -10.420 1.00 54.44 O ATOM 446 CB PRO A 29 17.071 -8.531 -8.518 1.00 75.41 C ATOM 447 CG PRO A 29 16.082 -7.998 -7.539 1.00 44.31 C ATOM 448 CD PRO A 29 16.880 -7.565 -6.340 1.00 51.42 C ATOM 0 HA PRO A 29 19.259 -8.237 -8.464 1.00 14.03 H new ATOM 0 HB2 PRO A 29 16.706 -8.436 -9.541 1.00 75.41 H new ATOM 0 HB3 PRO A 29 17.266 -9.590 -8.347 1.00 75.41 H new ATOM 0 HG2 PRO A 29 15.527 -7.161 -7.962 1.00 44.31 H new ATOM 0 HG3 PRO A 29 15.352 -8.760 -7.267 1.00 44.31 H new ATOM 0 HD2 PRO A 29 16.432 -6.700 -5.850 1.00 51.42 H new ATOM 0 HD3 PRO A 29 16.945 -8.356 -5.593 1.00 51.42 H new ATOM 456 N LYS A 30 17.918 -5.361 -8.829 1.00 74.51 N ATOM 457 CA LYS A 30 17.905 -4.169 -9.667 1.00 52.45 C ATOM 458 C LYS A 30 19.285 -3.907 -10.262 1.00 11.40 C ATOM 459 O LYS A 30 19.465 -3.947 -11.479 1.00 43.02 O ATOM 460 CB LYS A 30 17.449 -2.954 -8.855 1.00 72.33 C ATOM 461 CG LYS A 30 16.278 -2.212 -9.476 1.00 32.40 C ATOM 462 CD LYS A 30 15.770 -1.108 -8.564 1.00 25.23 C ATOM 463 CE LYS A 30 15.311 0.105 -9.359 1.00 24.45 C ATOM 464 NZ LYS A 30 13.992 -0.126 -10.009 1.00 51.42 N ATOM 0 H LYS A 30 17.553 -5.218 -7.887 1.00 74.51 H new ATOM 0 HA LYS A 30 17.203 -4.337 -10.483 1.00 52.45 H new ATOM 0 HB2 LYS A 30 17.171 -3.281 -7.853 1.00 72.33 H new ATOM 0 HB3 LYS A 30 18.287 -2.266 -8.745 1.00 72.33 H new ATOM 0 HG2 LYS A 30 16.582 -1.785 -10.431 1.00 32.40 H new ATOM 0 HG3 LYS A 30 15.470 -2.914 -9.684 1.00 32.40 H new ATOM 0 HD2 LYS A 30 14.943 -1.484 -7.962 1.00 25.23 H new ATOM 0 HD3 LYS A 30 16.560 -0.814 -7.873 1.00 25.23 H new ATOM 0 HE2 LYS A 30 15.244 0.969 -8.698 1.00 24.45 H new ATOM 0 HE3 LYS A 30 16.054 0.343 -10.120 1.00 24.45 H new ATOM 0 HZ1 LYS A 30 13.714 0.723 -10.541 1.00 51.42 H new ATOM 0 HZ2 LYS A 30 14.062 -0.934 -10.659 1.00 51.42 H new ATOM 0 HZ3 LYS A 30 13.277 -0.328 -9.281 1.00 51.42 H new ATOM 478 N PHE A 31 20.256 -3.640 -9.396 1.00 5.55 N ATOM 479 CA PHE A 31 21.621 -3.372 -9.835 1.00 52.43 C ATOM 480 C PHE A 31 22.580 -4.438 -9.313 1.00 53.52 C ATOM 481 O PHE A 31 22.438 -4.918 -8.189 1.00 1.04 O ATOM 482 CB PHE A 31 22.070 -1.988 -9.360 1.00 61.40 C ATOM 483 CG PHE A 31 20.934 -1.104 -8.931 1.00 45.34 C ATOM 484 CD1 PHE A 31 20.395 -0.174 -9.806 1.00 3.35 C ATOM 485 CD2 PHE A 31 20.407 -1.202 -7.654 1.00 55.21 C ATOM 486 CE1 PHE A 31 19.350 0.642 -9.414 1.00 70.35 C ATOM 487 CE2 PHE A 31 19.361 -0.389 -7.258 1.00 21.44 C ATOM 488 CZ PHE A 31 18.833 0.534 -8.138 1.00 50.33 C ATOM 0 H PHE A 31 20.123 -3.603 -8.385 1.00 5.55 H new ATOM 0 HA PHE A 31 21.637 -3.397 -10.925 1.00 52.43 H new ATOM 0 HB2 PHE A 31 22.763 -2.106 -8.527 1.00 61.40 H new ATOM 0 HB3 PHE A 31 22.618 -1.497 -10.164 1.00 61.40 H new ATOM 0 HD1 PHE A 31 20.796 -0.086 -10.805 1.00 3.35 H new ATOM 0 HD2 PHE A 31 20.817 -1.921 -6.960 1.00 55.21 H new ATOM 0 HE1 PHE A 31 18.939 1.363 -10.105 1.00 70.35 H new ATOM 0 HE2 PHE A 31 18.957 -0.476 -6.260 1.00 21.44 H new ATOM 0 HZ PHE A 31 18.017 1.171 -7.829 1.00 50.33 H new ATOM 498 N ASP A 32 23.555 -4.803 -10.138 1.00 53.43 N ATOM 499 CA ASP A 32 24.538 -5.811 -9.761 1.00 21.20 C ATOM 500 C ASP A 32 25.805 -5.158 -9.218 1.00 23.23 C ATOM 501 O ASP A 32 26.777 -5.840 -8.896 1.00 3.23 O ATOM 502 CB ASP A 32 24.880 -6.695 -10.961 1.00 74.43 C ATOM 503 CG ASP A 32 23.703 -6.877 -11.900 1.00 31.33 C ATOM 504 OD1 ASP A 32 22.580 -7.111 -11.405 1.00 71.44 O ATOM 505 OD2 ASP A 32 23.905 -6.785 -13.128 1.00 53.34 O ATOM 0 H ASP A 32 23.686 -4.416 -11.072 1.00 53.43 H new ATOM 0 HA ASP A 32 24.104 -6.430 -8.976 1.00 21.20 H new ATOM 0 HB2 ASP A 32 25.713 -6.253 -11.508 1.00 74.43 H new ATOM 0 HB3 ASP A 32 25.213 -7.671 -10.607 1.00 74.43 H new ATOM 510 N ASN A 33 25.787 -3.833 -9.120 1.00 14.21 N ATOM 511 CA ASN A 33 26.935 -3.087 -8.617 1.00 71.32 C ATOM 512 C ASN A 33 26.495 -2.014 -7.626 1.00 41.12 C ATOM 513 O ASN A 33 27.263 -1.112 -7.289 1.00 74.11 O ATOM 514 CB ASN A 33 27.699 -2.445 -9.776 1.00 42.44 C ATOM 515 CG ASN A 33 29.142 -2.908 -9.845 1.00 75.15 C ATOM 516 OD1 ASN A 33 30.061 -2.097 -9.959 1.00 71.34 O ATOM 517 ND2 ASN A 33 29.346 -4.218 -9.777 1.00 34.41 N ATOM 0 H ASN A 33 24.990 -3.253 -9.382 1.00 14.21 H new ATOM 0 HA ASN A 33 27.593 -3.786 -8.100 1.00 71.32 H new ATOM 0 HB2 ASN A 33 27.198 -2.684 -10.714 1.00 42.44 H new ATOM 0 HB3 ASN A 33 27.673 -1.361 -9.668 1.00 42.44 H new ATOM 0 HD21 ASN A 33 30.295 -4.589 -9.819 1.00 34.41 H new ATOM 0 HD22 ASN A 33 28.554 -4.853 -9.683 1.00 34.41 H new ATOM 524 N LYS A 34 25.254 -2.118 -7.162 1.00 44.31 N ATOM 525 CA LYS A 34 24.711 -1.158 -6.208 1.00 61.11 C ATOM 526 C LYS A 34 23.911 -1.867 -5.120 1.00 1.54 C ATOM 527 O LYS A 34 23.234 -1.226 -4.316 1.00 13.33 O ATOM 528 CB LYS A 34 23.824 -0.140 -6.927 1.00 54.31 C ATOM 529 CG LYS A 34 24.448 0.426 -8.191 1.00 74.42 C ATOM 530 CD LYS A 34 25.677 1.263 -7.880 1.00 55.31 C ATOM 531 CE LYS A 34 25.374 2.751 -7.968 1.00 53.31 C ATOM 532 NZ LYS A 34 26.427 3.572 -7.309 1.00 64.32 N ATOM 0 H LYS A 34 24.605 -2.858 -7.431 1.00 44.31 H new ATOM 0 HA LYS A 34 25.546 -0.636 -5.740 1.00 61.11 H new ATOM 0 HB2 LYS A 34 22.875 -0.613 -7.181 1.00 54.31 H new ATOM 0 HB3 LYS A 34 23.599 0.680 -6.244 1.00 54.31 H new ATOM 0 HG2 LYS A 34 24.722 -0.390 -8.859 1.00 74.42 H new ATOM 0 HG3 LYS A 34 23.715 1.037 -8.718 1.00 74.42 H new ATOM 0 HD2 LYS A 34 26.039 1.023 -6.880 1.00 55.31 H new ATOM 0 HD3 LYS A 34 26.476 1.011 -8.577 1.00 55.31 H new ATOM 0 HE2 LYS A 34 25.288 3.043 -9.015 1.00 53.31 H new ATOM 0 HE3 LYS A 34 24.410 2.954 -7.501 1.00 53.31 H new ATOM 0 HZ1 LYS A 34 26.183 4.580 -7.391 1.00 64.32 H new ATOM 0 HZ2 LYS A 34 26.492 3.312 -6.304 1.00 64.32 H new ATOM 0 HZ3 LYS A 34 27.342 3.399 -7.771 1.00 64.32 H new ATOM 546 N LYS A 35 23.995 -3.192 -5.098 1.00 73.43 N ATOM 547 CA LYS A 35 23.281 -3.989 -4.107 1.00 42.20 C ATOM 548 C LYS A 35 23.552 -3.473 -2.697 1.00 41.14 C ATOM 549 O LYS A 35 24.491 -2.707 -2.475 1.00 74.31 O ATOM 550 CB LYS A 35 23.693 -5.459 -4.211 1.00 71.04 C ATOM 551 CG LYS A 35 25.196 -5.666 -4.289 1.00 13.20 C ATOM 552 CD LYS A 35 25.867 -5.385 -2.955 1.00 33.11 C ATOM 553 CE LYS A 35 27.177 -6.145 -2.820 1.00 4.25 C ATOM 554 NZ LYS A 35 28.291 -5.462 -3.536 1.00 34.53 N ATOM 0 H LYS A 35 24.551 -3.738 -5.756 1.00 73.43 H new ATOM 0 HA LYS A 35 22.213 -3.902 -4.308 1.00 42.20 H new ATOM 0 HB2 LYS A 35 23.305 -5.998 -3.347 1.00 71.04 H new ATOM 0 HB3 LYS A 35 23.228 -5.896 -5.095 1.00 71.04 H new ATOM 0 HG2 LYS A 35 25.408 -6.690 -4.595 1.00 13.20 H new ATOM 0 HG3 LYS A 35 25.615 -5.012 -5.053 1.00 13.20 H new ATOM 0 HD2 LYS A 35 26.054 -4.315 -2.859 1.00 33.11 H new ATOM 0 HD3 LYS A 35 25.197 -5.666 -2.143 1.00 33.11 H new ATOM 0 HE2 LYS A 35 27.431 -6.246 -1.765 1.00 4.25 H new ATOM 0 HE3 LYS A 35 27.055 -7.153 -3.216 1.00 4.25 H new ATOM 0 HZ1 LYS A 35 29.193 -5.690 -3.072 1.00 34.53 H new ATOM 0 HZ2 LYS A 35 28.318 -5.785 -4.524 1.00 34.53 H new ATOM 0 HZ3 LYS A 35 28.140 -4.433 -3.512 1.00 34.53 H new ATOM 568 N CYS A 36 22.726 -3.898 -1.748 1.00 14.03 N ATOM 569 CA CYS A 36 22.876 -3.480 -0.359 1.00 62.31 C ATOM 570 C CYS A 36 24.244 -3.883 0.185 1.00 72.11 C ATOM 571 O CYS A 36 24.572 -5.068 0.257 1.00 43.24 O ATOM 572 CB CYS A 36 21.771 -4.095 0.503 1.00 43.52 C ATOM 573 SG CYS A 36 20.236 -3.116 0.552 1.00 52.51 S ATOM 0 H CYS A 36 21.945 -4.532 -1.915 1.00 14.03 H new ATOM 0 HA CYS A 36 22.795 -2.394 -0.322 1.00 62.31 H new ATOM 0 HB2 CYS A 36 21.542 -5.091 0.125 1.00 43.52 H new ATOM 0 HB3 CYS A 36 22.144 -4.218 1.520 1.00 43.52 H new ATOM 578 N THR A 37 25.039 -2.888 0.568 1.00 73.52 N ATOM 579 CA THR A 37 26.371 -3.138 1.104 1.00 14.24 C ATOM 580 C THR A 37 26.540 -2.494 2.475 1.00 5.54 C ATOM 581 O THR A 37 27.605 -1.964 2.797 1.00 74.21 O ATOM 582 CB THR A 37 27.465 -2.605 0.160 1.00 22.44 C ATOM 583 OG1 THR A 37 27.096 -1.315 -0.339 1.00 62.22 O ATOM 584 CG2 THR A 37 27.688 -3.560 -1.003 1.00 22.44 C ATOM 0 H THR A 37 24.783 -1.902 0.517 1.00 73.52 H new ATOM 0 HA THR A 37 26.478 -4.219 1.197 1.00 14.24 H new ATOM 0 HB THR A 37 28.393 -2.523 0.725 1.00 22.44 H new ATOM 0 HG1 THR A 37 27.798 -0.983 -0.937 1.00 62.22 H new ATOM 0 HG21 THR A 37 28.465 -3.163 -1.656 1.00 22.44 H new ATOM 0 HG22 THR A 37 27.998 -4.533 -0.621 1.00 22.44 H new ATOM 0 HG23 THR A 37 26.761 -3.670 -1.566 1.00 22.44 H new ATOM 592 N LYS A 38 25.485 -2.542 3.282 1.00 64.04 N ATOM 593 CA LYS A 38 25.517 -1.965 4.620 1.00 5.12 C ATOM 594 C LYS A 38 24.551 -2.692 5.549 1.00 13.14 C ATOM 595 O LYS A 38 23.586 -3.309 5.097 1.00 24.53 O ATOM 596 CB LYS A 38 25.166 -0.476 4.565 1.00 62.43 C ATOM 597 CG LYS A 38 26.294 0.432 5.023 1.00 51.13 C ATOM 598 CD LYS A 38 26.174 0.768 6.500 1.00 43.33 C ATOM 599 CE LYS A 38 25.369 2.040 6.718 1.00 32.24 C ATOM 600 NZ LYS A 38 26.241 3.245 6.780 1.00 51.33 N ATOM 0 H LYS A 38 24.596 -2.975 3.032 1.00 64.04 H new ATOM 0 HA LYS A 38 26.527 -2.079 5.013 1.00 5.12 H new ATOM 0 HB2 LYS A 38 24.892 -0.213 3.543 1.00 62.43 H new ATOM 0 HB3 LYS A 38 24.289 -0.295 5.187 1.00 62.43 H new ATOM 0 HG2 LYS A 38 27.252 -0.053 4.836 1.00 51.13 H new ATOM 0 HG3 LYS A 38 26.283 1.351 4.438 1.00 51.13 H new ATOM 0 HD2 LYS A 38 25.698 -0.060 7.025 1.00 43.33 H new ATOM 0 HD3 LYS A 38 27.169 0.888 6.929 1.00 43.33 H new ATOM 0 HE2 LYS A 38 24.647 2.156 5.910 1.00 32.24 H new ATOM 0 HE3 LYS A 38 24.800 1.955 7.644 1.00 32.24 H new ATOM 0 HZ1 LYS A 38 25.654 4.091 6.929 1.00 51.33 H new ATOM 0 HZ2 LYS A 38 26.914 3.147 7.567 1.00 51.33 H new ATOM 0 HZ3 LYS A 38 26.765 3.341 5.887 1.00 51.33 H new ATOM 614 N ASP A 39 24.814 -2.613 6.849 1.00 4.00 N ATOM 615 CA ASP A 39 23.966 -3.261 7.842 1.00 31.51 C ATOM 616 C ASP A 39 22.861 -2.320 8.310 1.00 34.14 C ATOM 617 O ASP A 39 23.131 -1.219 8.787 1.00 14.22 O ATOM 618 CB ASP A 39 24.803 -3.720 9.037 1.00 34.25 C ATOM 619 CG ASP A 39 25.683 -4.909 8.706 1.00 70.01 C ATOM 620 OD1 ASP A 39 25.181 -5.860 8.071 1.00 64.35 O ATOM 621 OD2 ASP A 39 26.874 -4.888 9.081 1.00 53.22 O ATOM 0 H ASP A 39 25.608 -2.106 7.240 1.00 4.00 H new ATOM 0 HA ASP A 39 23.504 -4.132 7.377 1.00 31.51 H new ATOM 0 HB2 ASP A 39 25.427 -2.894 9.378 1.00 34.25 H new ATOM 0 HB3 ASP A 39 24.140 -3.981 9.862 1.00 34.25 H new ATOM 626 N ASN A 40 21.615 -2.762 8.169 1.00 10.15 N ATOM 627 CA ASN A 40 20.468 -1.958 8.577 1.00 43.04 C ATOM 628 C ASN A 40 20.384 -0.675 7.755 1.00 4.03 C ATOM 629 O ASN A 40 20.073 0.392 8.282 1.00 32.05 O ATOM 630 CB ASN A 40 20.560 -1.619 10.066 1.00 52.43 C ATOM 631 CG ASN A 40 21.018 -2.799 10.901 1.00 51.25 C ATOM 632 OD1 ASN A 40 20.365 -3.842 10.932 1.00 51.02 O ATOM 633 ND2 ASN A 40 22.146 -2.638 11.583 1.00 60.54 N ATOM 0 H ASN A 40 21.374 -3.672 7.776 1.00 10.15 H new ATOM 0 HA ASN A 40 19.565 -2.542 8.400 1.00 43.04 H new ATOM 0 HB2 ASN A 40 21.253 -0.789 10.205 1.00 52.43 H new ATOM 0 HB3 ASN A 40 19.585 -1.283 10.420 1.00 52.43 H new ATOM 0 HD21 ASN A 40 22.504 -3.397 12.163 1.00 60.54 H new ATOM 0 HD22 ASN A 40 22.654 -1.755 11.527 1.00 60.54 H new ATOM 640 N ASN A 41 20.664 -0.788 6.461 1.00 43.00 N ATOM 641 CA ASN A 41 20.621 0.363 5.566 1.00 35.12 C ATOM 642 C ASN A 41 19.183 0.700 5.183 1.00 34.22 C ATOM 643 O ASN A 41 18.234 0.166 5.759 1.00 53.55 O ATOM 644 CB ASN A 41 21.444 0.088 4.307 1.00 64.53 C ATOM 645 CG ASN A 41 20.897 -1.074 3.500 1.00 54.32 C ATOM 646 OD1 ASN A 41 19.916 -0.929 2.770 1.00 13.00 O ATOM 647 ND2 ASN A 41 21.530 -2.234 3.628 1.00 34.02 N ATOM 0 H ASN A 41 20.923 -1.665 6.008 1.00 43.00 H new ATOM 0 HA ASN A 41 21.049 1.217 6.092 1.00 35.12 H new ATOM 0 HB2 ASN A 41 21.461 0.983 3.685 1.00 64.53 H new ATOM 0 HB3 ASN A 41 22.475 -0.123 4.590 1.00 64.53 H new ATOM 0 HD21 ASN A 41 21.207 -3.051 3.110 1.00 34.02 H new ATOM 0 HD22 ASN A 41 22.339 -2.308 4.245 1.00 34.02 H new ATOM 654 N LYS A 42 19.029 1.588 4.207 1.00 12.23 N ATOM 655 CA LYS A 42 17.708 1.996 3.745 1.00 53.24 C ATOM 656 C LYS A 42 17.406 1.406 2.371 1.00 70.41 C ATOM 657 O LYS A 42 18.001 1.803 1.369 1.00 63.42 O ATOM 658 CB LYS A 42 17.614 3.523 3.687 1.00 33.40 C ATOM 659 CG LYS A 42 16.188 4.046 3.727 1.00 44.13 C ATOM 660 CD LYS A 42 15.771 4.628 2.387 1.00 54.13 C ATOM 661 CE LYS A 42 14.695 5.691 2.552 1.00 62.03 C ATOM 662 NZ LYS A 42 15.247 6.957 3.109 1.00 21.20 N ATOM 0 H LYS A 42 19.804 2.039 3.720 1.00 12.23 H new ATOM 0 HA LYS A 42 16.971 1.619 4.454 1.00 53.24 H new ATOM 0 HB2 LYS A 42 18.171 3.945 4.524 1.00 33.40 H new ATOM 0 HB3 LYS A 42 18.096 3.874 2.774 1.00 33.40 H new ATOM 0 HG2 LYS A 42 15.510 3.237 4.000 1.00 44.13 H new ATOM 0 HG3 LYS A 42 16.101 4.810 4.500 1.00 44.13 H new ATOM 0 HD2 LYS A 42 16.639 5.062 1.891 1.00 54.13 H new ATOM 0 HD3 LYS A 42 15.401 3.831 1.742 1.00 54.13 H new ATOM 0 HE2 LYS A 42 14.231 5.891 1.586 1.00 62.03 H new ATOM 0 HE3 LYS A 42 13.912 5.316 3.210 1.00 62.03 H new ATOM 0 HZ1 LYS A 42 14.560 7.725 2.972 1.00 21.20 H new ATOM 0 HZ2 LYS A 42 15.434 6.837 4.125 1.00 21.20 H new ATOM 0 HZ3 LYS A 42 16.133 7.194 2.619 1.00 21.20 H new ATOM 676 N CYS A 43 16.477 0.456 2.331 1.00 0.31 N ATOM 677 CA CYS A 43 16.095 -0.189 1.081 1.00 50.53 C ATOM 678 C CYS A 43 14.604 -0.511 1.068 1.00 15.05 C ATOM 679 O CYS A 43 14.089 -1.161 1.980 1.00 42.25 O ATOM 680 CB CYS A 43 16.906 -1.469 0.874 1.00 5.02 C ATOM 681 SG CYS A 43 16.727 -2.688 2.216 1.00 12.31 S ATOM 0 H CYS A 43 15.975 0.116 3.151 1.00 0.31 H new ATOM 0 HA CYS A 43 16.306 0.503 0.266 1.00 50.53 H new ATOM 0 HB2 CYS A 43 16.602 -1.931 -0.065 1.00 5.02 H new ATOM 0 HB3 CYS A 43 17.959 -1.207 0.774 1.00 5.02 H new ATOM 686 N THR A 44 13.913 -0.052 0.029 1.00 31.31 N ATOM 687 CA THR A 44 12.481 -0.290 -0.102 1.00 61.43 C ATOM 688 C THR A 44 12.194 -1.337 -1.173 1.00 32.03 C ATOM 689 O THR A 44 12.710 -1.257 -2.288 1.00 31.44 O ATOM 690 CB THR A 44 11.726 1.006 -0.452 1.00 32.31 C ATOM 691 OG1 THR A 44 12.493 1.786 -1.376 1.00 30.22 O ATOM 692 CG2 THR A 44 11.446 1.823 0.800 1.00 50.40 C ATOM 0 H THR A 44 14.322 0.487 -0.734 1.00 31.31 H new ATOM 0 HA THR A 44 12.131 -0.656 0.863 1.00 61.43 H new ATOM 0 HB THR A 44 10.775 0.734 -0.910 1.00 32.31 H new ATOM 0 HG1 THR A 44 12.005 2.607 -1.595 1.00 30.22 H new ATOM 0 HG21 THR A 44 10.912 2.734 0.528 1.00 50.40 H new ATOM 0 HG22 THR A 44 10.837 1.237 1.488 1.00 50.40 H new ATOM 0 HG23 THR A 44 12.388 2.085 1.282 1.00 50.40 H new ATOM 700 N VAL A 45 11.366 -2.318 -0.827 1.00 62.34 N ATOM 701 CA VAL A 45 11.008 -3.380 -1.760 1.00 25.51 C ATOM 702 C VAL A 45 9.673 -3.092 -2.436 1.00 12.33 C ATOM 703 O VAL A 45 8.761 -2.539 -1.820 1.00 73.34 O ATOM 704 CB VAL A 45 10.928 -4.746 -1.052 1.00 4.24 C ATOM 705 CG1 VAL A 45 10.518 -5.833 -2.033 1.00 32.34 C ATOM 706 CG2 VAL A 45 12.258 -5.083 -0.394 1.00 61.55 C ATOM 0 H VAL A 45 10.931 -2.399 0.092 1.00 62.34 H new ATOM 0 HA VAL A 45 11.794 -3.415 -2.515 1.00 25.51 H new ATOM 0 HB VAL A 45 10.168 -4.688 -0.273 1.00 4.24 H new ATOM 0 HG11 VAL A 45 10.467 -6.790 -1.515 1.00 32.34 H new ATOM 0 HG12 VAL A 45 9.541 -5.595 -2.452 1.00 32.34 H new ATOM 0 HG13 VAL A 45 11.252 -5.894 -2.836 1.00 32.34 H new ATOM 0 HG21 VAL A 45 12.184 -6.051 0.102 1.00 61.55 H new ATOM 0 HG22 VAL A 45 13.040 -5.123 -1.153 1.00 61.55 H new ATOM 0 HG23 VAL A 45 12.505 -4.317 0.341 1.00 61.55 H new ATOM 716 N ASP A 46 9.564 -3.469 -3.705 1.00 24.23 N ATOM 717 CA ASP A 46 8.339 -3.252 -4.465 1.00 30.40 C ATOM 718 C ASP A 46 7.774 -4.575 -4.974 1.00 44.13 C ATOM 719 O ASP A 46 8.428 -5.291 -5.733 1.00 64.03 O ATOM 720 CB ASP A 46 8.603 -2.310 -5.640 1.00 54.32 C ATOM 721 CG ASP A 46 7.894 -0.978 -5.485 1.00 22.43 C ATOM 722 OD1 ASP A 46 8.526 0.065 -5.752 1.00 43.22 O ATOM 723 OD2 ASP A 46 6.708 -0.980 -5.096 1.00 74.13 O ATOM 0 H ASP A 46 10.310 -3.927 -4.229 1.00 24.23 H new ATOM 0 HA ASP A 46 7.605 -2.795 -3.801 1.00 30.40 H new ATOM 0 HB2 ASP A 46 9.676 -2.139 -5.731 1.00 54.32 H new ATOM 0 HB3 ASP A 46 8.277 -2.787 -6.564 1.00 54.32 H new ATOM 728 N THR A 47 6.555 -4.894 -4.551 1.00 63.40 N ATOM 729 CA THR A 47 5.903 -6.131 -4.962 1.00 23.40 C ATOM 730 C THR A 47 4.997 -5.902 -6.166 1.00 1.50 C ATOM 731 O THR A 47 4.039 -6.643 -6.385 1.00 21.42 O ATOM 732 CB THR A 47 5.071 -6.736 -3.815 1.00 50.42 C ATOM 733 OG1 THR A 47 4.624 -8.048 -4.173 1.00 24.21 O ATOM 734 CG2 THR A 47 3.872 -5.856 -3.495 1.00 53.04 C ATOM 0 H THR A 47 5.999 -4.313 -3.924 1.00 63.40 H new ATOM 0 HA THR A 47 6.694 -6.829 -5.234 1.00 23.40 H new ATOM 0 HB THR A 47 5.704 -6.798 -2.930 1.00 50.42 H new ATOM 0 HG1 THR A 47 4.155 -8.011 -5.032 1.00 24.21 H new ATOM 0 HG21 THR A 47 3.299 -6.303 -2.682 1.00 53.04 H new ATOM 0 HG22 THR A 47 4.217 -4.867 -3.195 1.00 53.04 H new ATOM 0 HG23 THR A 47 3.240 -5.767 -4.378 1.00 53.04 H new ATOM 742 N TYR A 48 5.306 -4.870 -6.944 1.00 73.33 N ATOM 743 CA TYR A 48 4.517 -4.542 -8.126 1.00 44.12 C ATOM 744 C TYR A 48 5.251 -4.949 -9.401 1.00 33.15 C ATOM 745 O TYR A 48 4.630 -5.219 -10.428 1.00 31.23 O ATOM 746 CB TYR A 48 4.208 -3.044 -8.159 1.00 22.32 C ATOM 747 CG TYR A 48 3.011 -2.692 -9.012 1.00 12.40 C ATOM 748 CD1 TYR A 48 3.163 -1.982 -10.197 1.00 74.22 C ATOM 749 CD2 TYR A 48 1.728 -3.067 -8.633 1.00 11.42 C ATOM 750 CE1 TYR A 48 2.072 -1.657 -10.980 1.00 35.13 C ATOM 751 CE2 TYR A 48 0.631 -2.747 -9.410 1.00 24.12 C ATOM 752 CZ TYR A 48 0.808 -2.042 -10.582 1.00 62.21 C ATOM 753 OH TYR A 48 -0.282 -1.721 -11.358 1.00 42.32 O ATOM 0 H TYR A 48 6.096 -4.247 -6.778 1.00 73.33 H new ATOM 0 HA TYR A 48 3.581 -5.099 -8.073 1.00 44.12 H new ATOM 0 HB2 TYR A 48 4.034 -2.695 -7.141 1.00 22.32 H new ATOM 0 HB3 TYR A 48 5.081 -2.510 -8.534 1.00 22.32 H new ATOM 0 HD1 TYR A 48 4.151 -1.679 -10.511 1.00 74.22 H new ATOM 0 HD2 TYR A 48 1.586 -3.618 -7.715 1.00 11.42 H new ATOM 0 HE1 TYR A 48 2.208 -1.105 -11.898 1.00 35.13 H new ATOM 0 HE2 TYR A 48 -0.359 -3.047 -9.101 1.00 24.12 H new ATOM 0 HH TYR A 48 -1.097 -2.067 -10.937 1.00 42.32 H new ATOM 763 N ASN A 49 6.577 -4.991 -9.325 1.00 31.25 N ATOM 764 CA ASN A 49 7.397 -5.365 -10.471 1.00 72.42 C ATOM 765 C ASN A 49 8.694 -6.029 -10.019 1.00 32.50 C ATOM 766 O ASN A 49 9.663 -6.099 -10.773 1.00 70.14 O ATOM 767 CB ASN A 49 7.711 -4.134 -11.323 1.00 62.13 C ATOM 768 CG ASN A 49 8.806 -3.277 -10.719 1.00 4.03 C ATOM 769 OD1 ASN A 49 9.865 -3.089 -11.318 1.00 62.31 O ATOM 770 ND2 ASN A 49 8.556 -2.752 -9.525 1.00 32.32 N ATOM 0 H ASN A 49 7.107 -4.771 -8.482 1.00 31.25 H new ATOM 0 HA ASN A 49 6.834 -6.080 -11.071 1.00 72.42 H new ATOM 0 HB2 ASN A 49 8.012 -4.453 -12.321 1.00 62.13 H new ATOM 0 HB3 ASN A 49 6.807 -3.536 -11.439 1.00 62.13 H new ATOM 0 HD21 ASN A 49 9.256 -2.167 -9.069 1.00 32.32 H new ATOM 0 HD22 ASN A 49 7.664 -2.934 -9.064 1.00 32.32 H new ATOM 777 N ASN A 50 8.703 -6.516 -8.782 1.00 70.44 N ATOM 778 CA ASN A 50 9.881 -7.175 -8.229 1.00 74.31 C ATOM 779 C ASN A 50 11.123 -6.307 -8.406 1.00 32.25 C ATOM 780 O ASN A 50 11.852 -6.441 -9.388 1.00 74.00 O ATOM 781 CB ASN A 50 10.094 -8.533 -8.901 1.00 60.12 C ATOM 782 CG ASN A 50 10.892 -9.488 -8.035 1.00 22.03 C ATOM 783 OD1 ASN A 50 12.110 -9.358 -7.907 1.00 53.11 O ATOM 784 ND2 ASN A 50 10.208 -10.455 -7.434 1.00 53.33 N ATOM 0 H ASN A 50 7.909 -6.467 -8.144 1.00 70.44 H new ATOM 0 HA ASN A 50 9.715 -7.327 -7.163 1.00 74.31 H new ATOM 0 HB2 ASN A 50 9.126 -8.978 -9.130 1.00 60.12 H new ATOM 0 HB3 ASN A 50 10.611 -8.389 -9.850 1.00 60.12 H new ATOM 0 HD21 ASN A 50 10.691 -11.127 -6.838 1.00 53.33 H new ATOM 0 HD22 ASN A 50 9.199 -10.525 -7.568 1.00 53.33 H new ATOM 791 N ALA A 51 11.358 -5.418 -7.446 1.00 55.23 N ATOM 792 CA ALA A 51 12.512 -4.530 -7.494 1.00 4.31 C ATOM 793 C ALA A 51 12.665 -3.757 -6.188 1.00 52.12 C ATOM 794 O ALA A 51 11.695 -3.212 -5.661 1.00 2.50 O ATOM 795 CB ALA A 51 12.391 -3.569 -8.667 1.00 41.32 C ATOM 0 H ALA A 51 10.764 -5.294 -6.626 1.00 55.23 H new ATOM 0 HA ALA A 51 13.404 -5.142 -7.631 1.00 4.31 H new ATOM 0 HB1 ALA A 51 13.260 -2.912 -8.690 1.00 41.32 H new ATOM 0 HB2 ALA A 51 12.339 -4.135 -9.597 1.00 41.32 H new ATOM 0 HB3 ALA A 51 11.487 -2.971 -8.555 1.00 41.32 H new ATOM 801 N VAL A 52 13.888 -3.714 -5.670 1.00 64.44 N ATOM 802 CA VAL A 52 14.168 -3.008 -4.426 1.00 52.10 C ATOM 803 C VAL A 52 15.054 -1.792 -4.672 1.00 15.44 C ATOM 804 O VAL A 52 15.796 -1.740 -5.652 1.00 4.40 O ATOM 805 CB VAL A 52 14.853 -3.929 -3.399 1.00 73.11 C ATOM 806 CG1 VAL A 52 16.327 -4.100 -3.734 1.00 54.13 C ATOM 807 CG2 VAL A 52 14.678 -3.380 -1.991 1.00 51.13 C ATOM 0 H VAL A 52 14.702 -4.160 -6.093 1.00 64.44 H new ATOM 0 HA VAL A 52 13.209 -2.680 -4.026 1.00 52.10 H new ATOM 0 HB VAL A 52 14.379 -4.910 -3.444 1.00 73.11 H new ATOM 0 HG11 VAL A 52 16.794 -4.754 -2.997 1.00 54.13 H new ATOM 0 HG12 VAL A 52 16.426 -4.542 -4.726 1.00 54.13 H new ATOM 0 HG13 VAL A 52 16.819 -3.127 -3.719 1.00 54.13 H new ATOM 0 HG21 VAL A 52 15.168 -4.043 -1.278 1.00 51.13 H new ATOM 0 HG22 VAL A 52 15.124 -2.388 -1.929 1.00 51.13 H new ATOM 0 HG23 VAL A 52 13.616 -3.315 -1.755 1.00 51.13 H new ATOM 817 N ASP A 53 14.970 -0.815 -3.775 1.00 31.22 N ATOM 818 CA ASP A 53 15.765 0.401 -3.893 1.00 4.44 C ATOM 819 C ASP A 53 16.914 0.399 -2.888 1.00 54.43 C ATOM 820 O ASP A 53 17.020 1.294 -2.049 1.00 41.21 O ATOM 821 CB ASP A 53 14.886 1.634 -3.678 1.00 12.10 C ATOM 822 CG ASP A 53 14.189 2.077 -4.950 1.00 21.24 C ATOM 823 OD1 ASP A 53 13.037 1.650 -5.175 1.00 10.22 O ATOM 824 OD2 ASP A 53 14.796 2.851 -5.719 1.00 74.53 O ATOM 0 H ASP A 53 14.359 -0.842 -2.959 1.00 31.22 H new ATOM 0 HA ASP A 53 16.185 0.435 -4.898 1.00 4.44 H new ATOM 0 HB2 ASP A 53 14.139 1.415 -2.915 1.00 12.10 H new ATOM 0 HB3 ASP A 53 15.499 2.452 -3.299 1.00 12.10 H new ATOM 829 N CYS A 54 17.770 -0.612 -2.979 1.00 24.20 N ATOM 830 CA CYS A 54 18.910 -0.733 -2.078 1.00 42.30 C ATOM 831 C CYS A 54 19.743 0.546 -2.081 1.00 22.14 C ATOM 832 O CYS A 54 19.813 1.252 -3.087 1.00 32.31 O ATOM 833 CB CYS A 54 19.782 -1.923 -2.482 1.00 22.35 C ATOM 834 SG CYS A 54 20.226 -1.955 -4.248 1.00 73.31 S ATOM 0 H CYS A 54 17.696 -1.360 -3.668 1.00 24.20 H new ATOM 0 HA CYS A 54 18.529 -0.896 -1.070 1.00 42.30 H new ATOM 0 HB2 CYS A 54 20.696 -1.907 -1.889 1.00 22.35 H new ATOM 0 HB3 CYS A 54 19.257 -2.845 -2.234 1.00 22.35 H new ATOM 839 N ASP A 55 20.373 0.837 -0.948 1.00 2.01 N ATOM 840 CA ASP A 55 21.203 2.029 -0.819 1.00 53.41 C ATOM 841 C ASP A 55 22.388 1.973 -1.778 1.00 54.32 C ATOM 842 O ASP A 55 22.260 2.305 -2.958 1.00 22.32 O ATOM 843 CB ASP A 55 21.702 2.177 0.619 1.00 35.33 C ATOM 844 CG ASP A 55 22.887 3.115 0.728 1.00 44.04 C ATOM 845 OD1 ASP A 55 24.029 2.619 0.834 1.00 51.31 O ATOM 846 OD2 ASP A 55 22.674 4.345 0.705 1.00 1.12 O ATOM 0 H ASP A 55 20.325 0.264 -0.106 1.00 2.01 H new ATOM 0 HA ASP A 55 20.592 2.895 -1.074 1.00 53.41 H new ATOM 0 HB2 ASP A 55 20.891 2.547 1.245 1.00 35.33 H new ATOM 0 HB3 ASP A 55 21.982 1.197 1.006 1.00 35.33 H new TER 851 ASP A 55