USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 613 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 69 ASN : amide:sc= 0.918 X(o=2.1,f=1.8) USER MOD Set 1.2: A 71 SER OG : rot -5:sc= 1.2 USER MOD Set 2.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 56 GLN : amide:sc= 0.187 X(o=0.19,f=-0.17) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0.017 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.051 USER MOD Single : A 15 THR OG1 : rot 158:sc= 1.11 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.037) USER MOD Single : A 28 CYS SG : rot 180:sc=-0.00216 USER MOD Single : A 29 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 SER OG : rot 180:sc= 0 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= 0.261 X(o=0.26,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= -0.127 X(o=-0.13,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0089) USER MOD Single : A 61 LYS NZ :NH3+ -121:sc= 0.893 (180deg=-0.11) USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= 0.894 (180deg=0.0879) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.229 -6.132 -17.749 1.00 11.21 N ATOM 2 CA GLY A 1 11.933 -6.078 -17.065 1.00 12.21 C ATOM 3 C GLY A 1 12.115 -5.845 -15.577 1.00 34.42 C ATOM 4 O GLY A 1 11.954 -6.790 -14.802 1.00 43.33 O ATOM 0 H1 GLY A 1 13.079 -6.292 -18.766 1.00 11.21 H new ATOM 0 H2 GLY A 1 13.732 -5.232 -17.611 1.00 11.21 H new ATOM 0 H3 GLY A 1 13.797 -6.910 -17.356 1.00 11.21 H new ATOM 0 HA2 GLY A 1 11.326 -5.279 -17.491 1.00 12.21 H new ATOM 0 HA3 GLY A 1 11.392 -7.010 -17.228 1.00 12.21 H new ATOM 8 N ALA A 2 12.488 -4.625 -15.174 1.00 2.44 N ATOM 9 CA ALA A 2 12.505 -4.126 -13.796 1.00 74.42 C ATOM 10 C ALA A 2 13.084 -5.123 -12.768 1.00 75.42 C ATOM 11 O ALA A 2 12.399 -5.443 -11.786 1.00 64.44 O ATOM 12 CB ALA A 2 11.108 -3.613 -13.437 1.00 33.41 C ATOM 0 H ALA A 2 12.804 -3.920 -15.840 1.00 2.44 H new ATOM 0 HA ALA A 2 13.207 -3.294 -13.745 1.00 74.42 H new ATOM 0 HB1 ALA A 2 11.110 -3.239 -12.413 1.00 33.41 H new ATOM 0 HB2 ALA A 2 10.830 -2.808 -14.117 1.00 33.41 H new ATOM 0 HB3 ALA A 2 10.388 -4.427 -13.525 1.00 33.41 H new ATOM 18 N PRO A 3 14.319 -5.621 -12.964 1.00 74.42 N ATOM 19 CA PRO A 3 14.888 -6.669 -12.123 1.00 42.41 C ATOM 20 C PRO A 3 15.116 -6.187 -10.686 1.00 14.32 C ATOM 21 O PRO A 3 15.203 -4.980 -10.430 1.00 14.20 O ATOM 22 CB PRO A 3 16.206 -7.046 -12.801 1.00 62.21 C ATOM 23 CG PRO A 3 16.623 -5.760 -13.504 1.00 23.44 C ATOM 24 CD PRO A 3 15.287 -5.188 -13.962 1.00 51.33 C ATOM 0 HA PRO A 3 14.215 -7.522 -12.034 1.00 42.41 H new ATOM 0 HB2 PRO A 3 16.953 -7.368 -12.076 1.00 62.21 H new ATOM 0 HB3 PRO A 3 16.074 -7.865 -13.508 1.00 62.21 H new ATOM 0 HG2 PRO A 3 17.146 -5.081 -12.831 1.00 23.44 H new ATOM 0 HG3 PRO A 3 17.291 -5.954 -14.343 1.00 23.44 H new ATOM 0 HD2 PRO A 3 15.326 -4.101 -14.026 1.00 51.33 H new ATOM 0 HD3 PRO A 3 15.021 -5.556 -14.953 1.00 51.33 H new ATOM 32 N GLY A 4 15.250 -7.133 -9.756 1.00 75.03 N ATOM 33 CA GLY A 4 15.406 -6.865 -8.332 1.00 72.04 C ATOM 34 C GLY A 4 14.435 -7.720 -7.529 1.00 63.44 C ATOM 35 O GLY A 4 13.673 -7.191 -6.715 1.00 13.14 O ATOM 0 H GLY A 4 15.253 -8.128 -9.980 1.00 75.03 H new ATOM 0 HA2 GLY A 4 16.430 -7.077 -8.024 1.00 72.04 H new ATOM 0 HA3 GLY A 4 15.225 -5.809 -8.131 1.00 72.04 H new ATOM 39 N GLY A 5 14.435 -9.030 -7.775 1.00 14.24 N ATOM 40 CA GLY A 5 13.631 -9.996 -7.047 1.00 41.21 C ATOM 41 C GLY A 5 14.087 -10.092 -5.594 1.00 44.12 C ATOM 42 O GLY A 5 15.277 -9.912 -5.295 1.00 73.24 O ATOM 0 H GLY A 5 15.009 -9.453 -8.504 1.00 14.24 H new ATOM 0 HA2 GLY A 5 12.581 -9.705 -7.085 1.00 41.21 H new ATOM 0 HA3 GLY A 5 13.709 -10.973 -7.523 1.00 41.21 H new ATOM 46 N LYS A 6 13.127 -10.353 -4.705 1.00 71.44 N ATOM 47 CA LYS A 6 13.290 -10.669 -3.291 1.00 25.14 C ATOM 48 C LYS A 6 11.944 -11.169 -2.766 1.00 14.10 C ATOM 49 O LYS A 6 10.904 -10.633 -3.177 1.00 25.01 O ATOM 50 CB LYS A 6 13.710 -9.400 -2.527 1.00 3.33 C ATOM 51 CG LYS A 6 14.234 -9.694 -1.115 1.00 61.23 C ATOM 52 CD LYS A 6 14.733 -8.396 -0.483 1.00 21.32 C ATOM 53 CE LYS A 6 15.367 -8.657 0.884 1.00 14.13 C ATOM 54 NZ LYS A 6 16.090 -7.465 1.365 1.00 62.21 N ATOM 0 H LYS A 6 12.144 -10.348 -4.978 1.00 71.44 H new ATOM 0 HA LYS A 6 14.057 -11.431 -3.152 1.00 25.14 H new ATOM 0 HB2 LYS A 6 14.482 -8.881 -3.094 1.00 3.33 H new ATOM 0 HB3 LYS A 6 12.857 -8.725 -2.458 1.00 3.33 H new ATOM 0 HG2 LYS A 6 13.443 -10.129 -0.504 1.00 61.23 H new ATOM 0 HG3 LYS A 6 15.041 -10.425 -1.159 1.00 61.23 H new ATOM 0 HD2 LYS A 6 15.462 -7.924 -1.141 1.00 21.32 H new ATOM 0 HD3 LYS A 6 13.903 -7.698 -0.375 1.00 21.32 H new ATOM 0 HE2 LYS A 6 14.594 -8.932 1.601 1.00 14.13 H new ATOM 0 HE3 LYS A 6 16.054 -9.501 0.816 1.00 14.13 H new ATOM 0 HZ1 LYS A 6 16.512 -7.666 2.294 1.00 62.21 H new ATOM 0 HZ2 LYS A 6 16.842 -7.219 0.690 1.00 62.21 H new ATOM 0 HZ3 LYS A 6 15.427 -6.668 1.451 1.00 62.21 H new ATOM 68 N SER A 7 11.943 -12.108 -1.823 1.00 14.34 N ATOM 69 CA SER A 7 10.747 -12.490 -1.077 1.00 25.24 C ATOM 70 C SER A 7 10.207 -11.278 -0.306 1.00 41.43 C ATOM 71 O SER A 7 10.984 -10.416 0.112 1.00 53.44 O ATOM 72 CB SER A 7 11.110 -13.628 -0.114 1.00 33.23 C ATOM 73 OG SER A 7 11.926 -14.583 -0.767 1.00 12.44 O ATOM 0 H SER A 7 12.778 -12.629 -1.553 1.00 14.34 H new ATOM 0 HA SER A 7 9.970 -12.832 -1.761 1.00 25.24 H new ATOM 0 HB2 SER A 7 11.632 -13.226 0.754 1.00 33.23 H new ATOM 0 HB3 SER A 7 10.202 -14.106 0.254 1.00 33.23 H new ATOM 0 HG SER A 7 12.152 -15.303 -0.141 1.00 12.44 H new ATOM 79 N ARG A 8 8.894 -11.175 -0.077 1.00 32.41 N ATOM 80 CA ARG A 8 8.285 -10.106 0.729 1.00 50.35 C ATOM 81 C ARG A 8 7.392 -10.728 1.787 1.00 61.04 C ATOM 82 O ARG A 8 6.273 -11.150 1.487 1.00 52.44 O ATOM 83 CB ARG A 8 7.527 -9.065 -0.123 1.00 22.32 C ATOM 84 CG ARG A 8 8.395 -7.842 -0.451 1.00 44.25 C ATOM 85 CD ARG A 8 9.392 -8.112 -1.583 1.00 33.03 C ATOM 86 NE ARG A 8 8.855 -7.712 -2.887 1.00 51.34 N ATOM 87 CZ ARG A 8 9.517 -7.087 -3.862 1.00 14.41 C ATOM 88 NH1 ARG A 8 10.788 -6.723 -3.740 1.00 61.35 N ATOM 89 NH2 ARG A 8 8.890 -6.864 -5.003 1.00 33.13 N ATOM 0 H ARG A 8 8.214 -11.838 -0.449 1.00 32.41 H new ATOM 0 HA ARG A 8 9.086 -9.549 1.214 1.00 50.35 H new ATOM 0 HB2 ARG A 8 7.193 -9.531 -1.050 1.00 22.32 H new ATOM 0 HB3 ARG A 8 6.634 -8.742 0.411 1.00 22.32 H new ATOM 0 HG2 ARG A 8 7.751 -7.009 -0.731 1.00 44.25 H new ATOM 0 HG3 ARG A 8 8.940 -7.538 0.443 1.00 44.25 H new ATOM 0 HD2 ARG A 8 10.318 -7.570 -1.389 1.00 33.03 H new ATOM 0 HD3 ARG A 8 9.642 -9.173 -1.602 1.00 33.03 H new ATOM 0 HE ARG A 8 7.876 -7.934 -3.067 1.00 51.34 H new ATOM 0 HH11 ARG A 8 11.294 -6.920 -2.877 1.00 61.35 H new ATOM 0 HH12 ARG A 8 11.258 -6.247 -4.510 1.00 61.35 H new ATOM 0 HH21 ARG A 8 7.924 -7.168 -5.122 1.00 33.13 H new ATOM 0 HH22 ARG A 8 9.372 -6.388 -5.765 1.00 33.13 H new ATOM 103 N ARG A 9 7.923 -10.800 3.005 1.00 13.52 N ATOM 104 CA ARG A 9 7.242 -11.300 4.193 1.00 4.54 C ATOM 105 C ARG A 9 6.246 -10.245 4.701 1.00 30.14 C ATOM 106 O ARG A 9 6.225 -9.120 4.193 1.00 2.21 O ATOM 107 CB ARG A 9 8.311 -11.664 5.249 1.00 31.22 C ATOM 108 CG ARG A 9 9.296 -12.744 4.753 1.00 2.40 C ATOM 109 CD ARG A 9 10.505 -12.921 5.686 1.00 41.54 C ATOM 110 NE ARG A 9 11.491 -13.856 5.110 1.00 72.41 N ATOM 111 CZ ARG A 9 11.378 -15.192 5.060 1.00 22.41 C ATOM 112 NH1 ARG A 9 10.359 -15.808 5.647 1.00 42.45 N ATOM 113 NH2 ARG A 9 12.280 -15.924 4.416 1.00 4.12 N ATOM 0 H ARG A 9 8.878 -10.499 3.197 1.00 13.52 H new ATOM 0 HA ARG A 9 6.665 -12.197 3.969 1.00 4.54 H new ATOM 0 HB2 ARG A 9 8.868 -10.767 5.520 1.00 31.22 H new ATOM 0 HB3 ARG A 9 7.816 -12.017 6.154 1.00 31.22 H new ATOM 0 HG2 ARG A 9 8.770 -13.695 4.662 1.00 2.40 H new ATOM 0 HG3 ARG A 9 9.648 -12.478 3.756 1.00 2.40 H new ATOM 0 HD2 ARG A 9 10.976 -11.954 5.862 1.00 41.54 H new ATOM 0 HD3 ARG A 9 10.169 -13.293 6.654 1.00 41.54 H new ATOM 0 HE ARG A 9 12.337 -13.448 4.713 1.00 72.41 H new ATOM 0 HH11 ARG A 9 9.652 -15.265 6.142 1.00 42.45 H new ATOM 0 HH12 ARG A 9 10.283 -16.824 5.602 1.00 42.45 H new ATOM 0 HH21 ARG A 9 13.068 -15.471 3.953 1.00 4.12 H new ATOM 0 HH22 ARG A 9 12.185 -16.939 4.384 1.00 4.12 H new ATOM 127 N ARG A 10 5.473 -10.607 5.735 1.00 42.43 N ATOM 128 CA ARG A 10 4.444 -9.809 6.415 1.00 32.40 C ATOM 129 C ARG A 10 3.501 -9.162 5.396 1.00 42.55 C ATOM 130 O ARG A 10 3.572 -7.957 5.148 1.00 43.34 O ATOM 131 CB ARG A 10 5.096 -8.802 7.391 1.00 23.34 C ATOM 132 CG ARG A 10 4.071 -8.119 8.320 1.00 45.22 C ATOM 133 CD ARG A 10 4.613 -6.836 8.972 1.00 52.34 C ATOM 134 NE ARG A 10 5.608 -7.085 10.030 1.00 31.30 N ATOM 135 CZ ARG A 10 6.417 -6.157 10.561 1.00 24.44 C ATOM 136 NH1 ARG A 10 6.398 -4.900 10.139 1.00 12.10 N ATOM 137 NH2 ARG A 10 7.249 -6.469 11.543 1.00 64.33 N ATOM 0 H ARG A 10 5.558 -11.536 6.149 1.00 42.43 H new ATOM 0 HA ARG A 10 3.821 -10.462 7.027 1.00 32.40 H new ATOM 0 HB2 ARG A 10 5.840 -9.320 7.997 1.00 23.34 H new ATOM 0 HB3 ARG A 10 5.625 -8.040 6.819 1.00 23.34 H new ATOM 0 HG2 ARG A 10 3.174 -7.879 7.749 1.00 45.22 H new ATOM 0 HG3 ARG A 10 3.773 -8.819 9.101 1.00 45.22 H new ATOM 0 HD2 ARG A 10 5.063 -6.210 8.202 1.00 52.34 H new ATOM 0 HD3 ARG A 10 3.780 -6.273 9.394 1.00 52.34 H new ATOM 0 HE ARG A 10 5.687 -8.038 10.386 1.00 31.30 H new ATOM 0 HH11 ARG A 10 5.758 -4.621 9.395 1.00 12.10 H new ATOM 0 HH12 ARG A 10 7.023 -4.212 10.558 1.00 12.10 H new ATOM 0 HH21 ARG A 10 7.279 -7.423 11.903 1.00 64.33 H new ATOM 0 HH22 ARG A 10 7.860 -5.755 11.940 1.00 64.33 H new ATOM 151 N ARG A 11 2.612 -9.960 4.799 1.00 32.20 N ATOM 152 CA ARG A 11 1.611 -9.495 3.839 1.00 41.42 C ATOM 153 C ARG A 11 0.421 -10.441 3.863 1.00 34.03 C ATOM 154 O ARG A 11 0.600 -11.642 3.646 1.00 73.21 O ATOM 155 CB ARG A 11 2.220 -9.449 2.425 1.00 53.34 C ATOM 156 CG ARG A 11 2.619 -8.035 1.971 1.00 10.34 C ATOM 157 CD ARG A 11 3.850 -8.073 1.056 1.00 24.33 C ATOM 158 NE ARG A 11 3.695 -7.302 -0.190 1.00 10.13 N ATOM 159 CZ ARG A 11 3.663 -5.973 -0.309 1.00 75.35 C ATOM 160 NH1 ARG A 11 3.586 -5.213 0.774 1.00 4.14 N ATOM 161 NH2 ARG A 11 3.738 -5.415 -1.515 1.00 42.14 N ATOM 0 H ARG A 11 2.568 -10.964 4.973 1.00 32.20 H new ATOM 0 HA ARG A 11 1.284 -8.491 4.110 1.00 41.42 H new ATOM 0 HB2 ARG A 11 3.100 -10.092 2.396 1.00 53.34 H new ATOM 0 HB3 ARG A 11 1.502 -9.860 1.716 1.00 53.34 H new ATOM 0 HG2 ARG A 11 1.785 -7.570 1.444 1.00 10.34 H new ATOM 0 HG3 ARG A 11 2.830 -7.416 2.843 1.00 10.34 H new ATOM 0 HD2 ARG A 11 4.710 -7.688 1.605 1.00 24.33 H new ATOM 0 HD3 ARG A 11 4.071 -9.110 0.804 1.00 24.33 H new ATOM 0 HE ARG A 11 3.602 -7.840 -1.052 1.00 10.13 H new ATOM 0 HH11 ARG A 11 3.551 -5.644 1.698 1.00 4.14 H new ATOM 0 HH12 ARG A 11 3.562 -4.197 0.684 1.00 4.14 H new ATOM 0 HH21 ARG A 11 3.820 -6.003 -2.345 1.00 42.14 H new ATOM 0 HH22 ARG A 11 3.714 -4.400 -1.610 1.00 42.14 H new ATOM 175 N THR A 12 -0.773 -9.888 4.038 1.00 23.11 N ATOM 176 CA THR A 12 -2.064 -10.532 3.855 1.00 50.34 C ATOM 177 C THR A 12 -2.220 -10.955 2.375 1.00 45.34 C ATOM 178 O THR A 12 -1.418 -10.588 1.506 1.00 42.15 O ATOM 179 CB THR A 12 -3.154 -9.555 4.340 1.00 50.12 C ATOM 180 OG1 THR A 12 -2.734 -8.771 5.453 1.00 25.32 O ATOM 181 CG2 THR A 12 -4.451 -10.248 4.742 1.00 23.30 C ATOM 0 H THR A 12 -0.869 -8.916 4.330 1.00 23.11 H new ATOM 0 HA THR A 12 -2.155 -11.446 4.442 1.00 50.34 H new ATOM 0 HB THR A 12 -3.333 -8.917 3.474 1.00 50.12 H new ATOM 0 HG1 THR A 12 -3.459 -8.168 5.720 1.00 25.32 H new ATOM 0 HG21 THR A 12 -5.174 -9.503 5.073 1.00 23.30 H new ATOM 0 HG22 THR A 12 -4.854 -10.790 3.887 1.00 23.30 H new ATOM 0 HG23 THR A 12 -4.253 -10.947 5.554 1.00 23.30 H new ATOM 189 N ALA A 13 -3.228 -11.763 2.049 1.00 4.02 N ATOM 190 CA ALA A 13 -3.385 -12.384 0.740 1.00 70.14 C ATOM 191 C ALA A 13 -4.224 -11.502 -0.200 1.00 5.34 C ATOM 192 O ALA A 13 -5.417 -11.756 -0.372 1.00 3.42 O ATOM 193 CB ALA A 13 -3.984 -13.774 0.958 1.00 62.51 C ATOM 0 H ALA A 13 -3.972 -12.007 2.703 1.00 4.02 H new ATOM 0 HA ALA A 13 -2.422 -12.489 0.241 1.00 70.14 H new ATOM 0 HB1 ALA A 13 -4.115 -14.269 -0.004 1.00 62.51 H new ATOM 0 HB2 ALA A 13 -3.313 -14.365 1.581 1.00 62.51 H new ATOM 0 HB3 ALA A 13 -4.951 -13.680 1.453 1.00 62.51 H new ATOM 199 N PHE A 14 -3.594 -10.464 -0.766 1.00 63.34 N ATOM 200 CA PHE A 14 -4.195 -9.521 -1.703 1.00 2.43 C ATOM 201 C PHE A 14 -3.859 -9.985 -3.120 1.00 70.15 C ATOM 202 O PHE A 14 -2.675 -10.171 -3.429 1.00 74.34 O ATOM 203 CB PHE A 14 -3.601 -8.108 -1.531 1.00 22.14 C ATOM 204 CG PHE A 14 -3.975 -7.266 -0.319 1.00 54.21 C ATOM 205 CD1 PHE A 14 -4.381 -7.826 0.902 1.00 62.54 C ATOM 206 CD2 PHE A 14 -3.845 -5.872 -0.400 1.00 51.41 C ATOM 207 CE1 PHE A 14 -4.603 -7.041 2.039 1.00 45.44 C ATOM 208 CE2 PHE A 14 -4.026 -5.082 0.750 1.00 13.20 C ATOM 209 CZ PHE A 14 -4.371 -5.667 1.973 1.00 22.44 C ATOM 0 H PHE A 14 -2.615 -10.255 -0.573 1.00 63.34 H new ATOM 0 HA PHE A 14 -5.269 -9.485 -1.520 1.00 2.43 H new ATOM 0 HB2 PHE A 14 -2.516 -8.211 -1.532 1.00 22.14 H new ATOM 0 HB3 PHE A 14 -3.868 -7.534 -2.419 1.00 22.14 H new ATOM 0 HD1 PHE A 14 -4.526 -8.894 0.966 1.00 62.54 H new ATOM 0 HD2 PHE A 14 -3.606 -5.405 -1.344 1.00 51.41 H new ATOM 0 HE1 PHE A 14 -4.950 -7.493 2.956 1.00 45.44 H new ATOM 0 HE2 PHE A 14 -3.897 -4.012 0.688 1.00 13.20 H new ATOM 0 HZ PHE A 14 -4.457 -5.058 2.861 1.00 22.44 H new ATOM 219 N THR A 15 -4.858 -10.116 -3.984 1.00 13.22 N ATOM 220 CA THR A 15 -4.636 -10.387 -5.404 1.00 74.11 C ATOM 221 C THR A 15 -4.099 -9.155 -6.150 1.00 52.42 C ATOM 222 O THR A 15 -4.134 -8.029 -5.639 1.00 75.43 O ATOM 223 CB THR A 15 -5.914 -10.942 -6.055 1.00 30.51 C ATOM 224 OG1 THR A 15 -7.045 -10.123 -5.876 1.00 51.02 O ATOM 225 CG2 THR A 15 -6.238 -12.320 -5.481 1.00 62.54 C ATOM 0 H THR A 15 -5.841 -10.038 -3.725 1.00 13.22 H new ATOM 0 HA THR A 15 -3.863 -11.151 -5.480 1.00 74.11 H new ATOM 0 HB THR A 15 -5.701 -10.989 -7.123 1.00 30.51 H new ATOM 0 HG1 THR A 15 -7.708 -10.325 -6.568 1.00 51.02 H new ATOM 0 HG21 THR A 15 -7.145 -12.705 -5.948 1.00 62.54 H new ATOM 0 HG22 THR A 15 -5.410 -13.001 -5.680 1.00 62.54 H new ATOM 0 HG23 THR A 15 -6.391 -12.239 -4.405 1.00 62.54 H new ATOM 233 N SER A 16 -3.626 -9.345 -7.386 1.00 13.24 N ATOM 234 CA SER A 16 -3.021 -8.281 -8.173 1.00 64.51 C ATOM 235 C SER A 16 -3.978 -7.140 -8.480 1.00 51.11 C ATOM 236 O SER A 16 -3.492 -6.013 -8.587 1.00 71.51 O ATOM 237 CB SER A 16 -2.481 -8.814 -9.488 1.00 74.22 C ATOM 238 OG SER A 16 -1.351 -9.639 -9.273 1.00 62.31 O ATOM 0 H SER A 16 -3.655 -10.245 -7.864 1.00 13.24 H new ATOM 0 HA SER A 16 -2.212 -7.892 -7.555 1.00 64.51 H new ATOM 0 HB2 SER A 16 -3.258 -9.381 -10.002 1.00 74.22 H new ATOM 0 HB3 SER A 16 -2.210 -7.982 -10.138 1.00 74.22 H new ATOM 0 HG SER A 16 -1.021 -9.972 -10.133 1.00 62.31 H new ATOM 244 N GLU A 17 -5.282 -7.414 -8.593 1.00 22.24 N ATOM 245 CA GLU A 17 -6.342 -6.416 -8.700 1.00 4.40 C ATOM 246 C GLU A 17 -6.189 -5.419 -7.560 1.00 31.31 C ATOM 247 O GLU A 17 -6.029 -4.218 -7.764 1.00 42.35 O ATOM 248 CB GLU A 17 -7.728 -7.069 -8.608 1.00 1.13 C ATOM 249 CG GLU A 17 -7.949 -8.159 -9.651 1.00 23.24 C ATOM 250 CD GLU A 17 -7.511 -9.504 -9.077 1.00 74.53 C ATOM 251 OE1 GLU A 17 -8.242 -10.061 -8.219 1.00 2.24 O ATOM 252 OE2 GLU A 17 -6.400 -9.953 -9.426 1.00 24.41 O ATOM 0 H GLU A 17 -5.636 -8.370 -8.613 1.00 22.24 H new ATOM 0 HA GLU A 17 -6.258 -5.919 -9.666 1.00 4.40 H new ATOM 0 HB2 GLU A 17 -7.856 -7.496 -7.613 1.00 1.13 H new ATOM 0 HB3 GLU A 17 -8.493 -6.301 -8.726 1.00 1.13 H new ATOM 0 HG2 GLU A 17 -9.000 -8.198 -9.936 1.00 23.24 H new ATOM 0 HG3 GLU A 17 -7.382 -7.934 -10.554 1.00 23.24 H new ATOM 259 N GLN A 18 -6.197 -5.967 -6.345 1.00 14.21 N ATOM 260 CA GLN A 18 -6.188 -5.214 -5.110 1.00 13.34 C ATOM 261 C GLN A 18 -4.881 -4.437 -5.031 1.00 43.04 C ATOM 262 O GLN A 18 -4.876 -3.258 -4.694 1.00 55.14 O ATOM 263 CB GLN A 18 -6.453 -6.147 -3.902 1.00 41.24 C ATOM 264 CG GLN A 18 -7.542 -7.194 -4.214 1.00 74.31 C ATOM 265 CD GLN A 18 -7.996 -8.074 -3.049 1.00 2.13 C ATOM 266 OE1 GLN A 18 -7.210 -8.833 -2.500 1.00 52.35 O ATOM 267 NE2 GLN A 18 -9.270 -8.073 -2.691 1.00 42.45 N ATOM 0 H GLN A 18 -6.210 -6.976 -6.198 1.00 14.21 H new ATOM 0 HA GLN A 18 -6.998 -4.485 -5.084 1.00 13.34 H new ATOM 0 HB2 GLN A 18 -5.529 -6.655 -3.626 1.00 41.24 H new ATOM 0 HB3 GLN A 18 -6.758 -5.550 -3.042 1.00 41.24 H new ATOM 0 HG2 GLN A 18 -8.414 -6.672 -4.607 1.00 74.31 H new ATOM 0 HG3 GLN A 18 -7.174 -7.843 -5.008 1.00 74.31 H new ATOM 0 HE21 GLN A 18 -9.928 -7.441 -3.147 1.00 42.45 H new ATOM 0 HE22 GLN A 18 -9.594 -8.704 -1.959 1.00 42.45 H new ATOM 276 N LEU A 19 -3.774 -5.061 -5.439 1.00 54.23 N ATOM 277 CA LEU A 19 -2.482 -4.405 -5.434 1.00 34.20 C ATOM 278 C LEU A 19 -2.391 -3.274 -6.457 1.00 1.00 C ATOM 279 O LEU A 19 -1.529 -2.422 -6.296 1.00 21.40 O ATOM 280 CB LEU A 19 -1.378 -5.434 -5.708 1.00 54.33 C ATOM 281 CG LEU A 19 -1.239 -6.522 -4.627 1.00 72.24 C ATOM 282 CD1 LEU A 19 -0.277 -7.612 -5.114 1.00 44.44 C ATOM 283 CD2 LEU A 19 -0.734 -5.981 -3.286 1.00 42.04 C ATOM 0 H LEU A 19 -3.756 -6.023 -5.777 1.00 54.23 H new ATOM 0 HA LEU A 19 -2.352 -3.961 -4.447 1.00 34.20 H new ATOM 0 HB2 LEU A 19 -1.576 -5.914 -6.666 1.00 54.33 H new ATOM 0 HB3 LEU A 19 -0.427 -4.911 -5.804 1.00 54.33 H new ATOM 0 HG LEU A 19 -2.238 -6.924 -4.461 1.00 72.24 H new ATOM 0 HD11 LEU A 19 -0.180 -8.381 -4.347 1.00 44.44 H new ATOM 0 HD12 LEU A 19 -0.666 -8.059 -6.029 1.00 44.44 H new ATOM 0 HD13 LEU A 19 0.700 -7.172 -5.312 1.00 44.44 H new ATOM 0 HD21 LEU A 19 -0.659 -6.799 -2.569 1.00 42.04 H new ATOM 0 HD22 LEU A 19 0.247 -5.527 -3.423 1.00 42.04 H new ATOM 0 HD23 LEU A 19 -1.431 -5.232 -2.910 1.00 42.04 H new ATOM 295 N LEU A 20 -3.185 -3.263 -7.529 1.00 35.13 N ATOM 296 CA LEU A 20 -3.069 -2.282 -8.609 1.00 0.04 C ATOM 297 C LEU A 20 -3.490 -0.920 -8.071 1.00 54.25 C ATOM 298 O LEU A 20 -2.713 0.035 -8.086 1.00 13.22 O ATOM 299 CB LEU A 20 -3.928 -2.744 -9.800 1.00 22.14 C ATOM 300 CG LEU A 20 -3.514 -2.160 -11.161 1.00 20.51 C ATOM 301 CD1 LEU A 20 -4.300 -2.903 -12.247 1.00 43.15 C ATOM 302 CD2 LEU A 20 -3.752 -0.653 -11.294 1.00 24.42 C ATOM 0 H LEU A 20 -3.933 -3.941 -7.673 1.00 35.13 H new ATOM 0 HA LEU A 20 -2.043 -2.196 -8.966 1.00 0.04 H new ATOM 0 HB2 LEU A 20 -3.886 -3.832 -9.860 1.00 22.14 H new ATOM 0 HB3 LEU A 20 -4.966 -2.475 -9.606 1.00 22.14 H new ATOM 0 HG LEU A 20 -2.438 -2.297 -11.264 1.00 20.51 H new ATOM 0 HD11 LEU A 20 -4.027 -2.510 -13.227 1.00 43.15 H new ATOM 0 HD12 LEU A 20 -4.064 -3.966 -12.204 1.00 43.15 H new ATOM 0 HD13 LEU A 20 -5.368 -2.762 -12.084 1.00 43.15 H new ATOM 0 HD21 LEU A 20 -3.434 -0.320 -12.282 1.00 24.42 H new ATOM 0 HD22 LEU A 20 -4.813 -0.439 -11.163 1.00 24.42 H new ATOM 0 HD23 LEU A 20 -3.179 -0.125 -10.532 1.00 24.42 H new ATOM 314 N GLU A 21 -4.699 -0.873 -7.528 1.00 74.33 N ATOM 315 CA GLU A 21 -5.319 0.306 -6.948 1.00 53.04 C ATOM 316 C GLU A 21 -4.462 0.836 -5.799 1.00 32.50 C ATOM 317 O GLU A 21 -4.215 2.036 -5.677 1.00 4.31 O ATOM 318 CB GLU A 21 -6.717 -0.102 -6.461 1.00 63.35 C ATOM 319 CG GLU A 21 -7.598 -0.654 -7.588 1.00 14.23 C ATOM 320 CD GLU A 21 -7.839 0.387 -8.673 1.00 22.10 C ATOM 321 OE1 GLU A 21 -7.017 0.500 -9.608 1.00 11.02 O ATOM 322 OE2 GLU A 21 -8.855 1.110 -8.565 1.00 42.05 O ATOM 0 H GLU A 21 -5.300 -1.695 -7.479 1.00 74.33 H new ATOM 0 HA GLU A 21 -5.404 1.107 -7.682 1.00 53.04 H new ATOM 0 HB2 GLU A 21 -6.620 -0.855 -5.679 1.00 63.35 H new ATOM 0 HB3 GLU A 21 -7.207 0.762 -6.012 1.00 63.35 H new ATOM 0 HG2 GLU A 21 -7.123 -1.532 -8.025 1.00 14.23 H new ATOM 0 HG3 GLU A 21 -8.554 -0.980 -7.177 1.00 14.23 H new ATOM 329 N LEU A 22 -3.958 -0.080 -4.974 1.00 2.22 N ATOM 330 CA LEU A 22 -3.128 0.243 -3.824 1.00 32.10 C ATOM 331 C LEU A 22 -1.745 0.721 -4.244 1.00 32.23 C ATOM 332 O LEU A 22 -1.123 1.445 -3.470 1.00 21.11 O ATOM 333 CB LEU A 22 -3.013 -0.998 -2.930 1.00 73.53 C ATOM 334 CG LEU A 22 -4.168 -1.161 -1.924 1.00 4.03 C ATOM 335 CD1 LEU A 22 -5.557 -0.840 -2.455 1.00 52.25 C ATOM 336 CD2 LEU A 22 -4.156 -2.604 -1.413 1.00 12.44 C ATOM 0 H LEU A 22 -4.119 -1.080 -5.091 1.00 2.22 H new ATOM 0 HA LEU A 22 -3.597 1.059 -3.274 1.00 32.10 H new ATOM 0 HB2 LEU A 22 -2.969 -1.885 -3.562 1.00 73.53 H new ATOM 0 HB3 LEU A 22 -2.072 -0.951 -2.381 1.00 73.53 H new ATOM 0 HG LEU A 22 -3.986 -0.427 -1.140 1.00 4.03 H new ATOM 0 HD11 LEU A 22 -6.292 -0.989 -1.664 1.00 52.25 H new ATOM 0 HD12 LEU A 22 -5.588 0.197 -2.789 1.00 52.25 H new ATOM 0 HD13 LEU A 22 -5.787 -1.498 -3.293 1.00 52.25 H new ATOM 0 HD21 LEU A 22 -4.967 -2.743 -0.698 1.00 12.44 H new ATOM 0 HD22 LEU A 22 -4.290 -3.288 -2.251 1.00 12.44 H new ATOM 0 HD23 LEU A 22 -3.203 -2.809 -0.926 1.00 12.44 H new ATOM 348 N ARG A 23 -1.254 0.367 -5.436 1.00 54.41 N ATOM 349 CA ARG A 23 -0.017 0.908 -5.983 1.00 60.33 C ATOM 350 C ARG A 23 -0.308 2.263 -6.627 1.00 3.24 C ATOM 351 O ARG A 23 0.621 3.071 -6.713 1.00 34.34 O ATOM 352 CB ARG A 23 0.576 -0.076 -7.018 1.00 12.04 C ATOM 353 CG ARG A 23 1.286 -1.296 -6.399 1.00 20.40 C ATOM 354 CD ARG A 23 1.416 -2.444 -7.421 1.00 52.32 C ATOM 355 NE ARG A 23 2.557 -3.330 -7.132 1.00 42.42 N ATOM 356 CZ ARG A 23 2.656 -4.643 -7.394 1.00 43.14 C ATOM 357 NH1 ARG A 23 1.637 -5.354 -7.870 1.00 32.10 N ATOM 358 NH2 ARG A 23 3.814 -5.249 -7.146 1.00 43.04 N ATOM 0 H ARG A 23 -1.711 -0.308 -6.049 1.00 54.41 H new ATOM 0 HA ARG A 23 0.714 1.043 -5.186 1.00 60.33 H new ATOM 0 HB2 ARG A 23 -0.225 -0.428 -7.668 1.00 12.04 H new ATOM 0 HB3 ARG A 23 1.285 0.461 -7.648 1.00 12.04 H new ATOM 0 HG2 ARG A 23 2.276 -1.004 -6.048 1.00 20.40 H new ATOM 0 HG3 ARG A 23 0.728 -1.642 -5.529 1.00 20.40 H new ATOM 0 HD2 ARG A 23 0.497 -3.030 -7.423 1.00 52.32 H new ATOM 0 HD3 ARG A 23 1.530 -2.025 -8.421 1.00 52.32 H new ATOM 0 HE ARG A 23 3.363 -2.897 -6.682 1.00 42.42 H new ATOM 0 HH11 ARG A 23 0.740 -4.903 -8.049 1.00 32.10 H new ATOM 0 HH12 ARG A 23 1.753 -6.350 -8.056 1.00 32.10 H new ATOM 0 HH21 ARG A 23 4.597 -4.717 -6.767 1.00 43.04 H new ATOM 0 HH22 ARG A 23 3.919 -6.246 -7.335 1.00 43.04 H new ATOM 372 N LYS A 24 -1.533 2.519 -7.106 1.00 71.14 N ATOM 373 CA LYS A 24 -1.932 3.772 -7.740 1.00 41.34 C ATOM 374 C LYS A 24 -2.079 4.868 -6.699 1.00 55.32 C ATOM 375 O LYS A 24 -1.293 5.818 -6.690 1.00 21.33 O ATOM 376 CB LYS A 24 -3.243 3.620 -8.536 1.00 74.21 C ATOM 377 CG LYS A 24 -3.101 2.950 -9.907 1.00 44.25 C ATOM 378 CD LYS A 24 -2.345 3.837 -10.904 1.00 61.51 C ATOM 379 CE LYS A 24 -2.664 3.403 -12.335 1.00 32.42 C ATOM 380 NZ LYS A 24 -2.003 4.286 -13.310 1.00 40.04 N ATOM 0 H LYS A 24 -2.291 1.838 -7.059 1.00 71.14 H new ATOM 0 HA LYS A 24 -1.146 4.046 -8.443 1.00 41.34 H new ATOM 0 HB2 LYS A 24 -3.947 3.041 -7.938 1.00 74.21 H new ATOM 0 HB3 LYS A 24 -3.681 4.608 -8.676 1.00 74.21 H new ATOM 0 HG2 LYS A 24 -2.576 2.002 -9.794 1.00 44.25 H new ATOM 0 HG3 LYS A 24 -4.090 2.721 -10.303 1.00 44.25 H new ATOM 0 HD2 LYS A 24 -2.625 4.881 -10.760 1.00 61.51 H new ATOM 0 HD3 LYS A 24 -1.272 3.768 -10.725 1.00 61.51 H new ATOM 0 HE2 LYS A 24 -2.337 2.375 -12.489 1.00 32.42 H new ATOM 0 HE3 LYS A 24 -3.742 3.422 -12.493 1.00 32.42 H new ATOM 0 HZ1 LYS A 24 -2.234 3.973 -14.274 1.00 40.04 H new ATOM 0 HZ2 LYS A 24 -2.335 5.262 -13.175 1.00 40.04 H new ATOM 0 HZ3 LYS A 24 -0.973 4.248 -13.171 1.00 40.04 H new ATOM 394 N GLU A 25 -3.083 4.751 -5.827 1.00 53.25 N ATOM 395 CA GLU A 25 -3.466 5.777 -4.854 1.00 44.25 C ATOM 396 C GLU A 25 -2.303 6.080 -3.893 1.00 71.34 C ATOM 397 O GLU A 25 -2.237 7.163 -3.319 1.00 33.42 O ATOM 398 CB GLU A 25 -4.762 5.316 -4.155 1.00 73.14 C ATOM 399 CG GLU A 25 -5.194 6.052 -2.875 1.00 44.43 C ATOM 400 CD GLU A 25 -5.456 7.563 -2.986 1.00 35.50 C ATOM 401 OE1 GLU A 25 -6.165 8.018 -3.910 1.00 32.21 O ATOM 402 OE2 GLU A 25 -5.035 8.299 -2.064 1.00 34.13 O ATOM 0 H GLU A 25 -3.668 3.917 -5.777 1.00 53.25 H new ATOM 0 HA GLU A 25 -3.676 6.728 -5.344 1.00 44.25 H new ATOM 0 HB2 GLU A 25 -5.576 5.394 -4.876 1.00 73.14 H new ATOM 0 HB3 GLU A 25 -4.652 4.259 -3.911 1.00 73.14 H new ATOM 0 HG2 GLU A 25 -6.103 5.578 -2.504 1.00 44.43 H new ATOM 0 HG3 GLU A 25 -4.423 5.898 -2.120 1.00 44.43 H new ATOM 409 N PHE A 26 -1.323 5.185 -3.757 1.00 74.22 N ATOM 410 CA PHE A 26 -0.114 5.421 -2.978 1.00 34.12 C ATOM 411 C PHE A 26 0.662 6.672 -3.413 1.00 44.33 C ATOM 412 O PHE A 26 1.357 7.261 -2.587 1.00 2.01 O ATOM 413 CB PHE A 26 0.764 4.174 -3.083 1.00 2.12 C ATOM 414 CG PHE A 26 2.004 4.170 -2.219 1.00 62.54 C ATOM 415 CD1 PHE A 26 1.903 3.767 -0.879 1.00 13.23 C ATOM 416 CD2 PHE A 26 3.261 4.502 -2.757 1.00 51.31 C ATOM 417 CE1 PHE A 26 3.056 3.673 -0.089 1.00 75.15 C ATOM 418 CE2 PHE A 26 4.417 4.409 -1.965 1.00 21.21 C ATOM 419 CZ PHE A 26 4.316 3.979 -0.633 1.00 20.31 C ATOM 0 H PHE A 26 -1.351 4.263 -4.193 1.00 74.22 H new ATOM 0 HA PHE A 26 -0.406 5.611 -1.945 1.00 34.12 H new ATOM 0 HB2 PHE A 26 0.160 3.304 -2.824 1.00 2.12 H new ATOM 0 HB3 PHE A 26 1.068 4.053 -4.123 1.00 2.12 H new ATOM 0 HD1 PHE A 26 0.938 3.530 -0.457 1.00 13.23 H new ATOM 0 HD2 PHE A 26 3.337 4.830 -3.783 1.00 51.31 H new ATOM 0 HE1 PHE A 26 2.977 3.364 0.943 1.00 75.15 H new ATOM 0 HE2 PHE A 26 5.380 4.667 -2.380 1.00 21.21 H new ATOM 0 HZ PHE A 26 5.205 3.883 -0.027 1.00 20.31 H new ATOM 429 N HIS A 27 0.598 7.102 -4.678 1.00 23.44 N ATOM 430 CA HIS A 27 1.292 8.325 -5.083 1.00 64.13 C ATOM 431 C HIS A 27 0.584 9.597 -4.602 1.00 43.01 C ATOM 432 O HIS A 27 1.215 10.655 -4.562 1.00 44.41 O ATOM 433 CB HIS A 27 1.577 8.317 -6.594 1.00 35.32 C ATOM 434 CG HIS A 27 2.984 7.858 -6.900 1.00 35.33 C ATOM 435 ND1 HIS A 27 3.833 8.387 -7.850 1.00 34.22 N ATOM 436 CD2 HIS A 27 3.674 6.884 -6.230 1.00 12.02 C ATOM 437 CE1 HIS A 27 5.009 7.745 -7.758 1.00 42.42 C ATOM 438 NE2 HIS A 27 4.952 6.812 -6.791 1.00 31.10 N ATOM 0 H HIS A 27 0.084 6.632 -5.423 1.00 23.44 H new ATOM 0 HA HIS A 27 2.258 8.340 -4.578 1.00 64.13 H new ATOM 0 HB2 HIS A 27 0.864 7.661 -7.094 1.00 35.32 H new ATOM 0 HB3 HIS A 27 1.426 9.318 -6.997 1.00 35.32 H new ATOM 0 HD2 HIS A 27 3.299 6.281 -5.416 1.00 12.02 H new ATOM 0 HE1 HIS A 27 5.874 7.948 -8.371 1.00 42.42 H new ATOM 0 HE2 HIS A 27 5.699 6.173 -6.519 1.00 31.10 H new ATOM 446 N CYS A 28 -0.678 9.509 -4.182 1.00 51.14 N ATOM 447 CA CYS A 28 -1.409 10.602 -3.573 1.00 64.51 C ATOM 448 C CYS A 28 -0.903 10.845 -2.153 1.00 43.31 C ATOM 449 O CYS A 28 -0.581 11.986 -1.802 1.00 3.04 O ATOM 450 CB CYS A 28 -2.904 10.263 -3.595 1.00 53.01 C ATOM 451 SG CYS A 28 -3.904 11.634 -2.975 1.00 71.34 S ATOM 0 H CYS A 28 -1.226 8.653 -4.261 1.00 51.14 H new ATOM 0 HA CYS A 28 -1.252 11.524 -4.133 1.00 64.51 H new ATOM 0 HB2 CYS A 28 -3.208 10.021 -4.613 1.00 53.01 H new ATOM 0 HB3 CYS A 28 -3.086 9.376 -2.989 1.00 53.01 H new ATOM 0 HG CYS A 28 -5.161 11.306 -3.013 1.00 71.34 H new ATOM 457 N LYS A 29 -0.863 9.815 -1.301 1.00 44.25 N ATOM 458 CA LYS A 29 -0.798 9.986 0.149 1.00 14.30 C ATOM 459 C LYS A 29 -0.365 8.686 0.821 1.00 74.41 C ATOM 460 O LYS A 29 0.059 7.735 0.169 1.00 52.45 O ATOM 461 CB LYS A 29 -2.188 10.470 0.625 1.00 43.34 C ATOM 462 CG LYS A 29 -2.082 11.547 1.709 1.00 60.03 C ATOM 463 CD LYS A 29 -3.375 12.364 1.813 1.00 2.22 C ATOM 464 CE LYS A 29 -3.469 13.365 0.651 1.00 12.23 C ATOM 465 NZ LYS A 29 -4.530 14.372 0.850 1.00 12.04 N ATOM 0 H LYS A 29 -0.875 8.840 -1.600 1.00 44.25 H new ATOM 0 HA LYS A 29 -0.051 10.730 0.426 1.00 14.30 H new ATOM 0 HB2 LYS A 29 -2.745 10.865 -0.225 1.00 43.34 H new ATOM 0 HB3 LYS A 29 -2.754 9.622 1.011 1.00 43.34 H new ATOM 0 HG2 LYS A 29 -1.867 11.079 2.670 1.00 60.03 H new ATOM 0 HG3 LYS A 29 -1.247 12.211 1.484 1.00 60.03 H new ATOM 0 HD2 LYS A 29 -4.237 11.697 1.798 1.00 2.22 H new ATOM 0 HD3 LYS A 29 -3.401 12.897 2.764 1.00 2.22 H new ATOM 0 HE2 LYS A 29 -2.511 13.871 0.535 1.00 12.23 H new ATOM 0 HE3 LYS A 29 -3.658 12.823 -0.276 1.00 12.23 H new ATOM 0 HZ1 LYS A 29 -4.549 15.021 0.038 1.00 12.04 H new ATOM 0 HZ2 LYS A 29 -5.450 13.895 0.934 1.00 12.04 H new ATOM 0 HZ3 LYS A 29 -4.339 14.911 1.719 1.00 12.04 H new ATOM 479 N LYS A 30 -0.389 8.684 2.155 1.00 40.41 N ATOM 480 CA LYS A 30 -0.048 7.537 2.998 1.00 22.00 C ATOM 481 C LYS A 30 -1.269 7.009 3.738 1.00 20.02 C ATOM 482 O LYS A 30 -1.312 5.827 4.070 1.00 55.54 O ATOM 483 CB LYS A 30 1.055 7.909 4.005 1.00 64.33 C ATOM 484 CG LYS A 30 0.769 9.166 4.851 1.00 20.34 C ATOM 485 CD LYS A 30 1.551 10.389 4.353 1.00 13.14 C ATOM 486 CE LYS A 30 1.108 11.649 5.105 1.00 52.55 C ATOM 487 NZ LYS A 30 1.958 12.813 4.780 1.00 63.34 N ATOM 0 H LYS A 30 -0.655 9.507 2.696 1.00 40.41 H new ATOM 0 HA LYS A 30 0.322 6.749 2.342 1.00 22.00 H new ATOM 0 HB2 LYS A 30 1.212 7.065 4.677 1.00 64.33 H new ATOM 0 HB3 LYS A 30 1.987 8.060 3.460 1.00 64.33 H new ATOM 0 HG2 LYS A 30 -0.299 9.384 4.825 1.00 20.34 H new ATOM 0 HG3 LYS A 30 1.029 8.969 5.891 1.00 20.34 H new ATOM 0 HD2 LYS A 30 2.619 10.229 4.497 1.00 13.14 H new ATOM 0 HD3 LYS A 30 1.390 10.521 3.283 1.00 13.14 H new ATOM 0 HE2 LYS A 30 0.072 11.875 4.855 1.00 52.55 H new ATOM 0 HE3 LYS A 30 1.143 11.462 6.178 1.00 52.55 H new ATOM 0 HZ1 LYS A 30 1.625 13.644 5.309 1.00 63.34 H new ATOM 0 HZ2 LYS A 30 2.943 12.607 5.042 1.00 63.34 H new ATOM 0 HZ3 LYS A 30 1.905 13.008 3.760 1.00 63.34 H new ATOM 501 N TYR A 31 -2.234 7.874 4.032 1.00 3.54 N ATOM 502 CA TYR A 31 -3.445 7.574 4.759 1.00 20.24 C ATOM 503 C TYR A 31 -4.562 8.333 4.084 1.00 31.01 C ATOM 504 O TYR A 31 -4.331 9.413 3.531 1.00 73.23 O ATOM 505 CB TYR A 31 -3.310 7.998 6.228 1.00 24.23 C ATOM 506 CG TYR A 31 -3.072 6.804 7.117 1.00 22.01 C ATOM 507 CD1 TYR A 31 -1.799 6.209 7.173 1.00 60.14 C ATOM 508 CD2 TYR A 31 -4.155 6.229 7.804 1.00 43.23 C ATOM 509 CE1 TYR A 31 -1.604 5.045 7.937 1.00 62.43 C ATOM 510 CE2 TYR A 31 -3.967 5.065 8.562 1.00 32.02 C ATOM 511 CZ TYR A 31 -2.688 4.469 8.646 1.00 14.21 C ATOM 512 OH TYR A 31 -2.509 3.373 9.433 1.00 64.11 O ATOM 0 H TYR A 31 -2.182 8.853 3.751 1.00 3.54 H new ATOM 0 HA TYR A 31 -3.648 6.503 4.752 1.00 20.24 H new ATOM 0 HB2 TYR A 31 -2.485 8.703 6.332 1.00 24.23 H new ATOM 0 HB3 TYR A 31 -4.215 8.517 6.545 1.00 24.23 H new ATOM 0 HD1 TYR A 31 -0.973 6.645 6.630 1.00 60.14 H new ATOM 0 HD2 TYR A 31 -5.133 6.684 7.748 1.00 43.23 H new ATOM 0 HE1 TYR A 31 -0.626 4.589 7.984 1.00 62.43 H new ATOM 0 HE2 TYR A 31 -4.802 4.622 9.084 1.00 32.02 H new ATOM 0 HH TYR A 31 -3.363 3.120 9.841 1.00 64.11 H new ATOM 522 N LEU A 32 -5.763 7.774 4.155 1.00 33.44 N ATOM 523 CA LEU A 32 -6.939 8.306 3.508 1.00 11.22 C ATOM 524 C LEU A 32 -8.021 8.499 4.565 1.00 71.32 C ATOM 525 O LEU A 32 -8.044 7.792 5.582 1.00 60.25 O ATOM 526 CB LEU A 32 -7.449 7.387 2.383 1.00 62.41 C ATOM 527 CG LEU A 32 -6.514 6.457 1.595 1.00 35.40 C ATOM 528 CD1 LEU A 32 -5.456 7.229 0.831 1.00 35.31 C ATOM 529 CD2 LEU A 32 -5.877 5.306 2.381 1.00 53.44 C ATOM 0 H LEU A 32 -5.943 6.917 4.679 1.00 33.44 H new ATOM 0 HA LEU A 32 -6.682 9.257 3.042 1.00 11.22 H new ATOM 0 HB2 LEU A 32 -8.222 6.755 2.821 1.00 62.41 H new ATOM 0 HB3 LEU A 32 -7.939 8.030 1.652 1.00 62.41 H new ATOM 0 HG LEU A 32 -7.192 5.969 0.894 1.00 35.40 H new ATOM 0 HD11 LEU A 32 -4.817 6.532 0.289 1.00 35.31 H new ATOM 0 HD12 LEU A 32 -5.938 7.905 0.124 1.00 35.31 H new ATOM 0 HD13 LEU A 32 -4.851 7.806 1.530 1.00 35.31 H new ATOM 0 HD21 LEU A 32 -5.240 4.721 1.718 1.00 53.44 H new ATOM 0 HD22 LEU A 32 -5.278 5.710 3.197 1.00 53.44 H new ATOM 0 HD23 LEU A 32 -6.660 4.666 2.788 1.00 53.44 H new ATOM 541 N SER A 33 -8.928 9.431 4.284 1.00 72.35 N ATOM 542 CA SER A 33 -10.126 9.675 5.068 1.00 74.33 C ATOM 543 C SER A 33 -11.041 8.440 5.064 1.00 54.41 C ATOM 544 O SER A 33 -10.842 7.502 4.290 1.00 54.24 O ATOM 545 CB SER A 33 -10.821 10.922 4.501 1.00 75.42 C ATOM 546 OG SER A 33 -10.849 11.955 5.463 1.00 35.31 O ATOM 0 H SER A 33 -8.843 10.053 3.480 1.00 72.35 H new ATOM 0 HA SER A 33 -9.871 9.858 6.112 1.00 74.33 H new ATOM 0 HB2 SER A 33 -10.297 11.263 3.608 1.00 75.42 H new ATOM 0 HB3 SER A 33 -11.838 10.672 4.198 1.00 75.42 H new ATOM 0 HG SER A 33 -11.294 12.742 5.085 1.00 35.31 H new ATOM 552 N LEU A 34 -12.064 8.445 5.919 1.00 2.01 N ATOM 553 CA LEU A 34 -12.993 7.338 6.106 1.00 51.33 C ATOM 554 C LEU A 34 -13.718 7.039 4.795 1.00 40.05 C ATOM 555 O LEU A 34 -13.743 5.881 4.380 1.00 21.12 O ATOM 556 CB LEU A 34 -14.005 7.680 7.216 1.00 23.10 C ATOM 557 CG LEU A 34 -13.531 7.560 8.678 1.00 60.53 C ATOM 558 CD1 LEU A 34 -13.286 6.103 9.084 1.00 40.15 C ATOM 559 CD2 LEU A 34 -12.280 8.388 8.994 1.00 53.35 C ATOM 0 H LEU A 34 -12.272 9.245 6.517 1.00 2.01 H new ATOM 0 HA LEU A 34 -12.435 6.451 6.406 1.00 51.33 H new ATOM 0 HB2 LEU A 34 -14.345 8.703 7.056 1.00 23.10 H new ATOM 0 HB3 LEU A 34 -14.873 7.032 7.090 1.00 23.10 H new ATOM 0 HG LEU A 34 -14.353 7.970 9.265 1.00 60.53 H new ATOM 0 HD11 LEU A 34 -12.953 6.065 10.121 1.00 40.15 H new ATOM 0 HD12 LEU A 34 -14.211 5.536 8.979 1.00 40.15 H new ATOM 0 HD13 LEU A 34 -12.519 5.670 8.441 1.00 40.15 H new ATOM 0 HD21 LEU A 34 -12.008 8.252 10.041 1.00 53.35 H new ATOM 0 HD22 LEU A 34 -11.457 8.060 8.360 1.00 53.35 H new ATOM 0 HD23 LEU A 34 -12.484 9.442 8.806 1.00 53.35 H new ATOM 571 N THR A 35 -14.242 8.064 4.112 1.00 33.21 N ATOM 572 CA THR A 35 -14.894 7.915 2.811 1.00 75.45 C ATOM 573 C THR A 35 -13.933 7.380 1.747 1.00 33.43 C ATOM 574 O THR A 35 -14.352 6.712 0.804 1.00 72.24 O ATOM 575 CB THR A 35 -15.432 9.274 2.347 1.00 55.05 C ATOM 576 OG1 THR A 35 -16.215 9.877 3.362 1.00 12.14 O ATOM 577 CG2 THR A 35 -16.285 9.172 1.081 1.00 51.04 C ATOM 0 H THR A 35 -14.224 9.026 4.451 1.00 33.21 H new ATOM 0 HA THR A 35 -15.706 7.198 2.933 1.00 75.45 H new ATOM 0 HB THR A 35 -14.555 9.883 2.126 1.00 55.05 H new ATOM 0 HG1 THR A 35 -16.547 10.744 3.047 1.00 12.14 H new ATOM 0 HG21 THR A 35 -16.638 10.164 0.800 1.00 51.04 H new ATOM 0 HG22 THR A 35 -15.685 8.757 0.271 1.00 51.04 H new ATOM 0 HG23 THR A 35 -17.140 8.522 1.269 1.00 51.04 H new ATOM 585 N GLU A 36 -12.649 7.672 1.881 1.00 4.40 N ATOM 586 CA GLU A 36 -11.664 7.394 0.853 1.00 23.13 C ATOM 587 C GLU A 36 -11.257 5.933 0.974 1.00 54.04 C ATOM 588 O GLU A 36 -11.307 5.188 0.000 1.00 24.33 O ATOM 589 CB GLU A 36 -10.489 8.350 1.047 1.00 42.33 C ATOM 590 CG GLU A 36 -10.894 9.829 1.077 1.00 11.01 C ATOM 591 CD GLU A 36 -11.583 10.232 -0.219 1.00 1.32 C ATOM 592 OE1 GLU A 36 -12.808 10.008 -0.335 1.00 13.23 O ATOM 593 OE2 GLU A 36 -10.874 10.694 -1.140 1.00 21.40 O ATOM 0 H GLU A 36 -12.260 8.113 2.715 1.00 4.40 H new ATOM 0 HA GLU A 36 -12.057 7.551 -0.152 1.00 23.13 H new ATOM 0 HB2 GLU A 36 -9.981 8.103 1.979 1.00 42.33 H new ATOM 0 HB3 GLU A 36 -9.770 8.196 0.242 1.00 42.33 H new ATOM 0 HG2 GLU A 36 -11.562 10.010 1.919 1.00 11.01 H new ATOM 0 HG3 GLU A 36 -10.011 10.449 1.231 1.00 11.01 H new ATOM 600 N ARG A 37 -10.992 5.485 2.203 1.00 61.34 N ATOM 601 CA ARG A 37 -10.955 4.068 2.528 1.00 31.14 C ATOM 602 C ARG A 37 -12.242 3.390 2.055 1.00 31.54 C ATOM 603 O ARG A 37 -12.159 2.331 1.450 1.00 64.21 O ATOM 604 CB ARG A 37 -10.672 3.885 4.027 1.00 63.34 C ATOM 605 CG ARG A 37 -9.192 4.175 4.328 1.00 31.34 C ATOM 606 CD ARG A 37 -8.803 3.945 5.792 1.00 55.33 C ATOM 607 NE ARG A 37 -9.031 5.125 6.657 1.00 21.40 N ATOM 608 CZ ARG A 37 -9.527 5.060 7.900 1.00 0.10 C ATOM 609 NH1 ARG A 37 -10.312 4.058 8.269 1.00 40.51 N ATOM 610 NH2 ARG A 37 -9.224 5.974 8.811 1.00 2.23 N ATOM 0 H ARG A 37 -10.798 6.097 2.995 1.00 61.34 H new ATOM 0 HA ARG A 37 -10.139 3.576 1.999 1.00 31.14 H new ATOM 0 HB2 ARG A 37 -11.307 4.554 4.608 1.00 63.34 H new ATOM 0 HB3 ARG A 37 -10.919 2.868 4.330 1.00 63.34 H new ATOM 0 HG2 ARG A 37 -8.571 3.543 3.693 1.00 31.34 H new ATOM 0 HG3 ARG A 37 -8.972 5.209 4.061 1.00 31.34 H new ATOM 0 HD2 ARG A 37 -9.373 3.102 6.183 1.00 55.33 H new ATOM 0 HD3 ARG A 37 -7.750 3.667 5.840 1.00 55.33 H new ATOM 0 HE ARG A 37 -8.796 6.045 6.283 1.00 21.40 H new ATOM 0 HH11 ARG A 37 -10.547 3.322 7.603 1.00 40.51 H new ATOM 0 HH12 ARG A 37 -10.682 4.023 9.219 1.00 40.51 H new ATOM 0 HH21 ARG A 37 -8.602 6.746 8.572 1.00 2.23 H new ATOM 0 HH22 ARG A 37 -9.613 5.905 9.751 1.00 2.23 H new ATOM 624 N SER A 38 -13.411 4.002 2.245 1.00 64.54 N ATOM 625 CA SER A 38 -14.684 3.473 1.770 1.00 71.52 C ATOM 626 C SER A 38 -14.735 3.323 0.233 1.00 64.23 C ATOM 627 O SER A 38 -15.546 2.521 -0.232 1.00 11.12 O ATOM 628 CB SER A 38 -15.818 4.355 2.329 1.00 2.31 C ATOM 629 OG SER A 38 -17.111 3.806 2.235 1.00 43.31 O ATOM 0 H SER A 38 -13.499 4.890 2.739 1.00 64.54 H new ATOM 0 HA SER A 38 -14.811 2.456 2.142 1.00 71.52 H new ATOM 0 HB2 SER A 38 -15.607 4.568 3.377 1.00 2.31 H new ATOM 0 HB3 SER A 38 -15.807 5.309 1.802 1.00 2.31 H new ATOM 0 HG SER A 38 -17.761 4.433 2.614 1.00 43.31 H new ATOM 635 N GLN A 39 -13.910 4.011 -0.583 1.00 24.32 N ATOM 636 CA GLN A 39 -13.830 3.721 -2.006 1.00 60.42 C ATOM 637 C GLN A 39 -12.955 2.492 -2.165 1.00 60.51 C ATOM 638 O GLN A 39 -13.473 1.440 -2.492 1.00 32.43 O ATOM 639 CB GLN A 39 -13.270 4.894 -2.834 1.00 51.04 C ATOM 640 CG GLN A 39 -13.932 6.253 -2.626 1.00 1.22 C ATOM 641 CD GLN A 39 -13.204 7.360 -3.392 1.00 54.25 C ATOM 642 OE1 GLN A 39 -13.006 7.296 -4.603 1.00 11.02 O ATOM 643 NE2 GLN A 39 -12.776 8.426 -2.740 1.00 72.51 N ATOM 0 H GLN A 39 -13.298 4.765 -0.271 1.00 24.32 H new ATOM 0 HA GLN A 39 -14.836 3.550 -2.388 1.00 60.42 H new ATOM 0 HB2 GLN A 39 -12.208 4.994 -2.609 1.00 51.04 H new ATOM 0 HB3 GLN A 39 -13.349 4.634 -3.890 1.00 51.04 H new ATOM 0 HG2 GLN A 39 -14.970 6.206 -2.954 1.00 1.22 H new ATOM 0 HG3 GLN A 39 -13.944 6.493 -1.563 1.00 1.22 H new ATOM 0 HE21 GLN A 39 -12.928 8.504 -1.734 1.00 72.51 H new ATOM 0 HE22 GLN A 39 -12.294 9.171 -3.242 1.00 72.51 H new ATOM 652 N ILE A 40 -11.658 2.587 -1.882 1.00 32.14 N ATOM 653 CA ILE A 40 -10.651 1.567 -2.184 1.00 21.14 C ATOM 654 C ILE A 40 -10.945 0.230 -1.491 1.00 75.11 C ATOM 655 O ILE A 40 -10.573 -0.822 -1.999 1.00 51.03 O ATOM 656 CB ILE A 40 -9.277 2.184 -1.826 1.00 64.21 C ATOM 657 CG1 ILE A 40 -8.935 3.291 -2.849 1.00 4.04 C ATOM 658 CG2 ILE A 40 -8.070 1.243 -1.746 1.00 22.24 C ATOM 659 CD1 ILE A 40 -9.134 4.683 -2.279 1.00 51.05 C ATOM 0 H ILE A 40 -11.263 3.406 -1.419 1.00 32.14 H new ATOM 0 HA ILE A 40 -10.661 1.301 -3.241 1.00 21.14 H new ATOM 0 HB ILE A 40 -9.424 2.543 -0.807 1.00 64.21 H new ATOM 0 HG12 ILE A 40 -7.900 3.177 -3.172 1.00 4.04 H new ATOM 0 HG13 ILE A 40 -9.560 3.170 -3.734 1.00 4.04 H new ATOM 0 HG21 ILE A 40 -7.179 1.815 -1.487 1.00 22.24 H new ATOM 0 HG22 ILE A 40 -8.249 0.485 -0.983 1.00 22.24 H new ATOM 0 HG23 ILE A 40 -7.922 0.758 -2.711 1.00 22.24 H new ATOM 0 HD11 ILE A 40 -8.881 5.426 -3.036 1.00 51.05 H new ATOM 0 HD12 ILE A 40 -10.175 4.809 -1.981 1.00 51.05 H new ATOM 0 HD13 ILE A 40 -8.489 4.816 -1.410 1.00 51.05 H new ATOM 671 N ALA A 41 -11.652 0.244 -0.365 1.00 73.34 N ATOM 672 CA ALA A 41 -12.030 -0.957 0.351 1.00 22.21 C ATOM 673 C ALA A 41 -13.219 -1.589 -0.358 1.00 54.01 C ATOM 674 O ALA A 41 -13.199 -2.797 -0.602 1.00 0.13 O ATOM 675 CB ALA A 41 -12.343 -0.637 1.817 1.00 11.14 C ATOM 0 H ALA A 41 -11.980 1.103 0.076 1.00 73.34 H new ATOM 0 HA ALA A 41 -11.203 -1.667 0.355 1.00 22.21 H new ATOM 0 HB1 ALA A 41 -12.625 -1.553 2.337 1.00 11.14 H new ATOM 0 HB2 ALA A 41 -11.461 -0.207 2.292 1.00 11.14 H new ATOM 0 HB3 ALA A 41 -13.166 0.076 1.866 1.00 11.14 H new ATOM 681 N HIS A 42 -14.236 -0.794 -0.731 1.00 51.21 N ATOM 682 CA HIS A 42 -15.371 -1.360 -1.440 1.00 75.45 C ATOM 683 C HIS A 42 -14.955 -1.763 -2.847 1.00 1.11 C ATOM 684 O HIS A 42 -15.423 -2.798 -3.324 1.00 71.11 O ATOM 685 CB HIS A 42 -16.548 -0.382 -1.489 1.00 31.21 C ATOM 686 CG HIS A 42 -17.853 -1.058 -1.848 1.00 3.21 C ATOM 687 ND1 HIS A 42 -18.592 -1.833 -0.988 1.00 43.41 N ATOM 688 CD2 HIS A 42 -18.489 -1.066 -3.063 1.00 34.21 C ATOM 689 CE1 HIS A 42 -19.649 -2.304 -1.661 1.00 15.23 C ATOM 690 NE2 HIS A 42 -19.643 -1.860 -2.932 1.00 53.21 N ATOM 0 H HIS A 42 -14.287 0.210 -0.556 1.00 51.21 H new ATOM 0 HA HIS A 42 -15.702 -2.245 -0.897 1.00 75.45 H new ATOM 0 HB2 HIS A 42 -16.651 0.106 -0.520 1.00 31.21 H new ATOM 0 HB3 HIS A 42 -16.336 0.400 -2.218 1.00 31.21 H new ATOM 0 HD2 HIS A 42 -18.163 -0.556 -3.957 1.00 34.21 H new ATOM 0 HE1 HIS A 42 -20.404 -2.952 -1.241 1.00 15.23 H new ATOM 0 HE2 HIS A 42 -20.335 -2.059 -3.654 1.00 53.21 H new ATOM 698 N ALA A 43 -14.038 -1.008 -3.471 1.00 12.01 N ATOM 699 CA ALA A 43 -13.618 -1.250 -4.845 1.00 73.54 C ATOM 700 C ALA A 43 -12.899 -2.598 -4.971 1.00 72.21 C ATOM 701 O ALA A 43 -12.764 -3.129 -6.074 1.00 15.34 O ATOM 702 CB ALA A 43 -12.717 -0.100 -5.315 1.00 22.21 C ATOM 0 H ALA A 43 -13.572 -0.215 -3.031 1.00 12.01 H new ATOM 0 HA ALA A 43 -14.501 -1.292 -5.483 1.00 73.54 H new ATOM 0 HB1 ALA A 43 -12.403 -0.281 -6.343 1.00 22.21 H new ATOM 0 HB2 ALA A 43 -13.269 0.839 -5.264 1.00 22.21 H new ATOM 0 HB3 ALA A 43 -11.839 -0.040 -4.672 1.00 22.21 H new ATOM 708 N LEU A 44 -12.463 -3.176 -3.847 1.00 71.51 N ATOM 709 CA LEU A 44 -11.646 -4.378 -3.775 1.00 14.00 C ATOM 710 C LEU A 44 -12.256 -5.425 -2.839 1.00 4.32 C ATOM 711 O LEU A 44 -11.580 -6.406 -2.531 1.00 41.43 O ATOM 712 CB LEU A 44 -10.236 -3.995 -3.316 1.00 24.44 C ATOM 713 CG LEU A 44 -9.541 -2.942 -4.192 1.00 44.25 C ATOM 714 CD1 LEU A 44 -8.239 -2.542 -3.506 1.00 11.30 C ATOM 715 CD2 LEU A 44 -9.294 -3.450 -5.619 1.00 53.31 C ATOM 0 H LEU A 44 -12.683 -2.797 -2.926 1.00 71.51 H new ATOM 0 HA LEU A 44 -11.601 -4.829 -4.766 1.00 14.00 H new ATOM 0 HB2 LEU A 44 -10.290 -3.619 -2.294 1.00 24.44 H new ATOM 0 HB3 LEU A 44 -9.619 -4.893 -3.293 1.00 24.44 H new ATOM 0 HG LEU A 44 -10.189 -2.072 -4.296 1.00 44.25 H new ATOM 0 HD11 LEU A 44 -7.725 -1.794 -4.109 1.00 11.30 H new ATOM 0 HD12 LEU A 44 -8.459 -2.127 -2.522 1.00 11.30 H new ATOM 0 HD13 LEU A 44 -7.601 -3.419 -3.396 1.00 11.30 H new ATOM 0 HD21 LEU A 44 -8.801 -2.672 -6.202 1.00 53.31 H new ATOM 0 HD22 LEU A 44 -8.659 -4.336 -5.585 1.00 53.31 H new ATOM 0 HD23 LEU A 44 -10.246 -3.704 -6.085 1.00 53.31 H new ATOM 727 N LYS A 45 -13.499 -5.232 -2.369 1.00 42.05 N ATOM 728 CA LYS A 45 -14.190 -6.094 -1.399 1.00 3.01 C ATOM 729 C LYS A 45 -13.431 -6.294 -0.079 1.00 50.11 C ATOM 730 O LYS A 45 -13.758 -7.217 0.676 1.00 41.02 O ATOM 731 CB LYS A 45 -14.576 -7.429 -2.078 1.00 1.03 C ATOM 732 CG LYS A 45 -15.899 -7.271 -2.837 1.00 0.22 C ATOM 733 CD LYS A 45 -16.302 -8.532 -3.606 1.00 43.04 C ATOM 734 CE LYS A 45 -15.986 -8.461 -5.103 1.00 20.42 C ATOM 735 NZ LYS A 45 -14.561 -8.243 -5.408 1.00 64.42 N ATOM 0 H LYS A 45 -14.071 -4.441 -2.666 1.00 42.05 H new ATOM 0 HA LYS A 45 -15.099 -5.576 -1.095 1.00 3.01 H new ATOM 0 HB2 LYS A 45 -13.788 -7.738 -2.765 1.00 1.03 H new ATOM 0 HB3 LYS A 45 -14.670 -8.214 -1.328 1.00 1.03 H new ATOM 0 HG2 LYS A 45 -16.689 -7.015 -2.130 1.00 0.22 H new ATOM 0 HG3 LYS A 45 -15.814 -6.438 -3.535 1.00 0.22 H new ATOM 0 HD2 LYS A 45 -15.788 -9.391 -3.175 1.00 43.04 H new ATOM 0 HD3 LYS A 45 -17.371 -8.701 -3.476 1.00 43.04 H new ATOM 0 HE2 LYS A 45 -16.310 -9.388 -5.576 1.00 20.42 H new ATOM 0 HE3 LYS A 45 -16.569 -7.655 -5.549 1.00 20.42 H new ATOM 0 HZ1 LYS A 45 -14.428 -8.207 -6.439 1.00 64.42 H new ATOM 0 HZ2 LYS A 45 -14.249 -7.345 -4.987 1.00 64.42 H new ATOM 0 HZ3 LYS A 45 -13.998 -9.024 -5.014 1.00 64.42 H new ATOM 749 N LEU A 46 -12.437 -5.469 0.236 1.00 64.11 N ATOM 750 CA LEU A 46 -11.589 -5.639 1.414 1.00 71.54 C ATOM 751 C LEU A 46 -12.206 -4.898 2.601 1.00 51.03 C ATOM 752 O LEU A 46 -13.040 -4.005 2.438 1.00 24.21 O ATOM 753 CB LEU A 46 -10.157 -5.174 1.081 1.00 53.15 C ATOM 754 CG LEU A 46 -9.347 -6.290 0.374 1.00 12.20 C ATOM 755 CD1 LEU A 46 -8.250 -5.721 -0.539 1.00 33.41 C ATOM 756 CD2 LEU A 46 -8.734 -7.259 1.398 1.00 34.12 C ATOM 0 H LEU A 46 -12.194 -4.653 -0.326 1.00 64.11 H new ATOM 0 HA LEU A 46 -11.525 -6.689 1.700 1.00 71.54 H new ATOM 0 HB2 LEU A 46 -10.199 -4.293 0.441 1.00 53.15 H new ATOM 0 HB3 LEU A 46 -9.647 -4.878 1.998 1.00 53.15 H new ATOM 0 HG LEU A 46 -10.049 -6.838 -0.255 1.00 12.20 H new ATOM 0 HD11 LEU A 46 -7.709 -6.541 -1.012 1.00 33.41 H new ATOM 0 HD12 LEU A 46 -8.704 -5.095 -1.307 1.00 33.41 H new ATOM 0 HD13 LEU A 46 -7.557 -5.124 0.054 1.00 33.41 H new ATOM 0 HD21 LEU A 46 -8.171 -8.032 0.875 1.00 34.12 H new ATOM 0 HD22 LEU A 46 -8.067 -6.711 2.063 1.00 34.12 H new ATOM 0 HD23 LEU A 46 -9.529 -7.722 1.982 1.00 34.12 H new ATOM 768 N SER A 47 -11.793 -5.249 3.819 1.00 5.34 N ATOM 769 CA SER A 47 -12.123 -4.442 4.987 1.00 4.22 C ATOM 770 C SER A 47 -11.207 -3.218 5.010 1.00 14.34 C ATOM 771 O SER A 47 -10.037 -3.315 4.647 1.00 65.15 O ATOM 772 CB SER A 47 -11.935 -5.259 6.264 1.00 21.10 C ATOM 773 OG SER A 47 -12.790 -6.389 6.291 1.00 52.12 O ATOM 0 H SER A 47 -11.235 -6.079 4.019 1.00 5.34 H new ATOM 0 HA SER A 47 -13.165 -4.126 4.932 1.00 4.22 H new ATOM 0 HB2 SER A 47 -10.898 -5.585 6.339 1.00 21.10 H new ATOM 0 HB3 SER A 47 -12.135 -4.630 7.132 1.00 21.10 H new ATOM 0 HG SER A 47 -12.643 -6.891 7.120 1.00 52.12 H new ATOM 779 N GLU A 48 -11.688 -2.099 5.549 1.00 63.12 N ATOM 780 CA GLU A 48 -10.931 -0.861 5.721 1.00 32.32 C ATOM 781 C GLU A 48 -9.642 -1.128 6.501 1.00 43.31 C ATOM 782 O GLU A 48 -8.629 -0.477 6.272 1.00 13.31 O ATOM 783 CB GLU A 48 -11.744 0.142 6.548 1.00 0.03 C ATOM 784 CG GLU A 48 -13.153 0.493 6.051 1.00 40.43 C ATOM 785 CD GLU A 48 -14.046 0.773 7.269 1.00 63.53 C ATOM 786 OE1 GLU A 48 -13.787 1.780 7.974 1.00 13.32 O ATOM 787 OE2 GLU A 48 -14.878 -0.103 7.608 1.00 24.10 O ATOM 0 H GLU A 48 -12.647 -2.027 5.889 1.00 63.12 H new ATOM 0 HA GLU A 48 -10.712 -0.469 4.728 1.00 32.32 H new ATOM 0 HB2 GLU A 48 -11.833 -0.251 7.561 1.00 0.03 H new ATOM 0 HB3 GLU A 48 -11.171 1.067 6.614 1.00 0.03 H new ATOM 0 HG2 GLU A 48 -13.118 1.366 5.399 1.00 40.43 H new ATOM 0 HG3 GLU A 48 -13.562 -0.328 5.463 1.00 40.43 H new ATOM 794 N VAL A 49 -9.684 -2.069 7.448 1.00 10.30 N ATOM 795 CA VAL A 49 -8.551 -2.456 8.275 1.00 30.34 C ATOM 796 C VAL A 49 -7.469 -3.090 7.405 1.00 22.12 C ATOM 797 O VAL A 49 -6.317 -2.681 7.491 1.00 51.55 O ATOM 798 CB VAL A 49 -9.044 -3.412 9.384 1.00 14.10 C ATOM 799 CG1 VAL A 49 -7.913 -3.960 10.260 1.00 73.03 C ATOM 800 CG2 VAL A 49 -10.069 -2.705 10.280 1.00 64.01 C ATOM 0 H VAL A 49 -10.532 -2.593 7.662 1.00 10.30 H new ATOM 0 HA VAL A 49 -8.109 -1.582 8.753 1.00 30.34 H new ATOM 0 HB VAL A 49 -9.500 -4.258 8.870 1.00 14.10 H new ATOM 0 HG11 VAL A 49 -8.329 -4.624 11.018 1.00 73.03 H new ATOM 0 HG12 VAL A 49 -7.208 -4.514 9.640 1.00 73.03 H new ATOM 0 HG13 VAL A 49 -7.396 -3.133 10.747 1.00 73.03 H new ATOM 0 HG21 VAL A 49 -10.408 -3.391 11.057 1.00 64.01 H new ATOM 0 HG22 VAL A 49 -9.608 -1.832 10.742 1.00 64.01 H new ATOM 0 HG23 VAL A 49 -10.921 -2.389 9.679 1.00 64.01 H new ATOM 810 N GLN A 50 -7.830 -4.034 6.534 1.00 11.23 N ATOM 811 CA GLN A 50 -6.893 -4.671 5.619 1.00 41.55 C ATOM 812 C GLN A 50 -6.183 -3.568 4.821 1.00 70.23 C ATOM 813 O GLN A 50 -4.950 -3.546 4.748 1.00 54.31 O ATOM 814 CB GLN A 50 -7.646 -5.634 4.686 1.00 14.10 C ATOM 815 CG GLN A 50 -8.480 -6.717 5.389 1.00 51.44 C ATOM 816 CD GLN A 50 -7.664 -7.947 5.750 1.00 3.21 C ATOM 817 OE1 GLN A 50 -6.979 -7.982 6.764 1.00 23.04 O ATOM 818 NE2 GLN A 50 -7.749 -8.977 4.930 1.00 70.32 N ATOM 0 H GLN A 50 -8.787 -4.377 6.446 1.00 11.23 H new ATOM 0 HA GLN A 50 -6.154 -5.255 6.168 1.00 41.55 H new ATOM 0 HB2 GLN A 50 -8.307 -5.050 4.045 1.00 14.10 H new ATOM 0 HB3 GLN A 50 -6.921 -6.123 4.035 1.00 14.10 H new ATOM 0 HG2 GLN A 50 -8.920 -6.300 6.295 1.00 51.44 H new ATOM 0 HG3 GLN A 50 -9.305 -7.012 4.741 1.00 51.44 H new ATOM 0 HE21 GLN A 50 -8.329 -8.916 4.093 1.00 70.32 H new ATOM 0 HE22 GLN A 50 -7.235 -9.834 5.133 1.00 70.32 H new ATOM 827 N VAL A 51 -6.968 -2.615 4.305 1.00 63.15 N ATOM 828 CA VAL A 51 -6.495 -1.508 3.494 1.00 12.21 C ATOM 829 C VAL A 51 -5.534 -0.638 4.316 1.00 61.14 C ATOM 830 O VAL A 51 -4.404 -0.386 3.880 1.00 43.12 O ATOM 831 CB VAL A 51 -7.700 -0.737 2.897 1.00 33.43 C ATOM 832 CG1 VAL A 51 -7.276 0.416 1.987 1.00 53.33 C ATOM 833 CG2 VAL A 51 -8.617 -1.622 2.039 1.00 32.52 C ATOM 0 H VAL A 51 -7.978 -2.600 4.450 1.00 63.15 H new ATOM 0 HA VAL A 51 -5.921 -1.871 2.641 1.00 12.21 H new ATOM 0 HB VAL A 51 -8.225 -0.371 3.779 1.00 33.43 H new ATOM 0 HG11 VAL A 51 -8.162 0.918 1.599 1.00 53.33 H new ATOM 0 HG12 VAL A 51 -6.676 1.127 2.556 1.00 53.33 H new ATOM 0 HG13 VAL A 51 -6.687 0.027 1.157 1.00 53.33 H new ATOM 0 HG21 VAL A 51 -9.441 -1.023 1.650 1.00 32.52 H new ATOM 0 HG22 VAL A 51 -8.047 -2.038 1.208 1.00 32.52 H new ATOM 0 HG23 VAL A 51 -9.014 -2.433 2.649 1.00 32.52 H new ATOM 843 N LYS A 52 -5.939 -0.198 5.515 1.00 52.12 N ATOM 844 CA LYS A 52 -5.135 0.690 6.357 1.00 51.21 C ATOM 845 C LYS A 52 -3.801 0.047 6.728 1.00 52.11 C ATOM 846 O LYS A 52 -2.842 0.773 6.993 1.00 35.01 O ATOM 847 CB LYS A 52 -5.938 1.179 7.584 1.00 1.44 C ATOM 848 CG LYS A 52 -5.759 0.399 8.891 1.00 33.31 C ATOM 849 CD LYS A 52 -6.768 0.853 9.960 1.00 72.35 C ATOM 850 CE LYS A 52 -6.935 -0.254 11.005 1.00 71.32 C ATOM 851 NZ LYS A 52 -7.986 0.054 11.999 1.00 51.13 N ATOM 0 H LYS A 52 -6.837 -0.450 5.927 1.00 52.12 H new ATOM 0 HA LYS A 52 -4.891 1.581 5.779 1.00 51.21 H new ATOM 0 HB2 LYS A 52 -5.670 2.219 7.771 1.00 1.44 H new ATOM 0 HB3 LYS A 52 -6.996 1.164 7.323 1.00 1.44 H new ATOM 0 HG2 LYS A 52 -5.884 -0.667 8.700 1.00 33.31 H new ATOM 0 HG3 LYS A 52 -4.744 0.539 9.264 1.00 33.31 H new ATOM 0 HD2 LYS A 52 -6.421 1.769 10.437 1.00 72.35 H new ATOM 0 HD3 LYS A 52 -7.728 1.079 9.497 1.00 72.35 H new ATOM 0 HE2 LYS A 52 -7.179 -1.189 10.502 1.00 71.32 H new ATOM 0 HE3 LYS A 52 -5.987 -0.408 11.520 1.00 71.32 H new ATOM 0 HZ1 LYS A 52 -8.057 -0.727 12.682 1.00 51.13 H new ATOM 0 HZ2 LYS A 52 -7.743 0.932 12.501 1.00 51.13 H new ATOM 0 HZ3 LYS A 52 -8.898 0.174 11.514 1.00 51.13 H new ATOM 865 N ILE A 53 -3.727 -1.286 6.777 1.00 51.51 N ATOM 866 CA ILE A 53 -2.499 -2.008 7.078 1.00 53.22 C ATOM 867 C ILE A 53 -1.594 -2.072 5.838 1.00 40.21 C ATOM 868 O ILE A 53 -0.385 -1.902 5.990 1.00 23.41 O ATOM 869 CB ILE A 53 -2.807 -3.406 7.671 1.00 34.01 C ATOM 870 CG1 ILE A 53 -3.598 -3.312 8.998 1.00 25.32 C ATOM 871 CG2 ILE A 53 -1.506 -4.178 7.962 1.00 2.32 C ATOM 872 CD1 ILE A 53 -4.346 -4.608 9.332 1.00 43.23 C ATOM 0 H ILE A 53 -4.528 -1.895 6.607 1.00 51.51 H new ATOM 0 HA ILE A 53 -1.948 -1.464 7.845 1.00 53.22 H new ATOM 0 HB ILE A 53 -3.406 -3.926 6.924 1.00 34.01 H new ATOM 0 HG12 ILE A 53 -2.911 -3.074 9.810 1.00 25.32 H new ATOM 0 HG13 ILE A 53 -4.312 -2.491 8.934 1.00 25.32 H new ATOM 0 HG21 ILE A 53 -1.748 -5.156 8.378 1.00 2.32 H new ATOM 0 HG22 ILE A 53 -0.944 -4.306 7.037 1.00 2.32 H new ATOM 0 HG23 ILE A 53 -0.904 -3.619 8.678 1.00 2.32 H new ATOM 0 HD11 ILE A 53 -4.883 -4.486 10.272 1.00 43.23 H new ATOM 0 HD12 ILE A 53 -5.055 -4.834 8.536 1.00 43.23 H new ATOM 0 HD13 ILE A 53 -3.632 -5.426 9.426 1.00 43.23 H new ATOM 884 N TRP A 54 -2.097 -2.279 4.619 1.00 60.34 N ATOM 885 CA TRP A 54 -1.183 -2.345 3.473 1.00 54.55 C ATOM 886 C TRP A 54 -0.590 -0.959 3.195 1.00 40.31 C ATOM 887 O TRP A 54 0.630 -0.846 3.083 1.00 71.03 O ATOM 888 CB TRP A 54 -1.869 -2.955 2.254 1.00 4.40 C ATOM 889 CG TRP A 54 -0.992 -3.462 1.144 1.00 1.34 C ATOM 890 CD1 TRP A 54 -0.849 -4.765 0.820 1.00 43.43 C ATOM 891 CD2 TRP A 54 -0.275 -2.724 0.102 1.00 23.43 C ATOM 892 NE1 TRP A 54 -0.023 -4.893 -0.275 1.00 34.13 N ATOM 893 CE2 TRP A 54 0.323 -3.663 -0.792 1.00 12.13 C ATOM 894 CE3 TRP A 54 -0.132 -1.362 -0.232 1.00 51.35 C ATOM 895 CZ2 TRP A 54 1.034 -3.266 -1.936 1.00 40.45 C ATOM 896 CZ3 TRP A 54 0.543 -0.951 -1.398 1.00 64.55 C ATOM 897 CH2 TRP A 54 1.130 -1.901 -2.249 1.00 75.54 C ATOM 0 H TRP A 54 -3.086 -2.399 4.402 1.00 60.34 H new ATOM 0 HA TRP A 54 -0.353 -3.010 3.714 1.00 54.55 H new ATOM 0 HB2 TRP A 54 -2.490 -3.783 2.597 1.00 4.40 H new ATOM 0 HB3 TRP A 54 -2.541 -2.205 1.836 1.00 4.40 H new ATOM 0 HD1 TRP A 54 -1.314 -5.587 1.343 1.00 43.43 H new ATOM 0 HE1 TRP A 54 0.293 -5.785 -0.655 1.00 34.13 H new ATOM 0 HE3 TRP A 54 -0.551 -0.613 0.424 1.00 51.35 H new ATOM 0 HZ2 TRP A 54 1.503 -4.004 -2.569 1.00 40.45 H new ATOM 0 HZ3 TRP A 54 0.609 0.100 -1.639 1.00 64.55 H new ATOM 0 HH2 TRP A 54 1.652 -1.583 -3.139 1.00 75.54 H new ATOM 908 N PHE A 55 -1.411 0.107 3.176 1.00 20.22 N ATOM 909 CA PHE A 55 -0.945 1.480 2.926 1.00 34.44 C ATOM 910 C PHE A 55 0.220 1.821 3.864 1.00 72.22 C ATOM 911 O PHE A 55 1.288 2.240 3.412 1.00 14.10 O ATOM 912 CB PHE A 55 -2.087 2.510 3.083 1.00 31.31 C ATOM 913 CG PHE A 55 -2.879 2.807 1.819 1.00 44.11 C ATOM 914 CD1 PHE A 55 -2.435 3.766 0.885 1.00 4.41 C ATOM 915 CD2 PHE A 55 -4.081 2.128 1.569 1.00 0.42 C ATOM 916 CE1 PHE A 55 -3.165 3.981 -0.302 1.00 11.33 C ATOM 917 CE2 PHE A 55 -4.791 2.327 0.374 1.00 3.30 C ATOM 918 CZ PHE A 55 -4.332 3.252 -0.570 1.00 61.13 C ATOM 0 H PHE A 55 -2.416 0.039 3.334 1.00 20.22 H new ATOM 0 HA PHE A 55 -0.599 1.532 1.894 1.00 34.44 H new ATOM 0 HB2 PHE A 55 -2.776 2.149 3.846 1.00 31.31 H new ATOM 0 HB3 PHE A 55 -1.663 3.443 3.453 1.00 31.31 H new ATOM 0 HD1 PHE A 55 -1.537 4.335 1.079 1.00 4.41 H new ATOM 0 HD2 PHE A 55 -4.467 1.441 2.308 1.00 0.42 H new ATOM 0 HE1 PHE A 55 -2.821 4.717 -1.014 1.00 11.33 H new ATOM 0 HE2 PHE A 55 -5.693 1.765 0.183 1.00 3.30 H new ATOM 0 HZ PHE A 55 -4.870 3.403 -1.494 1.00 61.13 H new ATOM 928 N GLN A 56 0.043 1.603 5.172 1.00 52.12 N ATOM 929 CA GLN A 56 1.077 1.904 6.153 1.00 52.12 C ATOM 930 C GLN A 56 2.351 1.084 5.953 1.00 15.33 C ATOM 931 O GLN A 56 3.453 1.610 6.149 1.00 40.35 O ATOM 932 CB GLN A 56 0.552 1.720 7.583 1.00 33.32 C ATOM 933 CG GLN A 56 0.226 0.289 7.961 1.00 33.43 C ATOM 934 CD GLN A 56 -0.286 0.091 9.374 1.00 30.21 C ATOM 935 OE1 GLN A 56 0.452 -0.332 10.257 1.00 14.52 O ATOM 936 NE2 GLN A 56 -1.552 0.370 9.616 1.00 21.01 N ATOM 0 H GLN A 56 -0.813 1.217 5.571 1.00 52.12 H new ATOM 0 HA GLN A 56 1.342 2.950 5.998 1.00 52.12 H new ATOM 0 HB2 GLN A 56 1.296 2.105 8.281 1.00 33.32 H new ATOM 0 HB3 GLN A 56 -0.345 2.327 7.707 1.00 33.32 H new ATOM 0 HG2 GLN A 56 -0.522 -0.092 7.265 1.00 33.43 H new ATOM 0 HG3 GLN A 56 1.122 -0.317 7.829 1.00 33.43 H new ATOM 0 HE21 GLN A 56 -2.149 0.721 8.867 1.00 21.01 H new ATOM 0 HE22 GLN A 56 -1.934 0.235 10.552 1.00 21.01 H new ATOM 945 N ASN A 57 2.202 -0.205 5.635 1.00 72.31 N ATOM 946 CA ASN A 57 3.310 -1.142 5.535 1.00 44.21 C ATOM 947 C ASN A 57 4.177 -0.720 4.369 1.00 52.22 C ATOM 948 O ASN A 57 5.403 -0.654 4.451 1.00 3.42 O ATOM 949 CB ASN A 57 2.776 -2.571 5.322 1.00 31.31 C ATOM 950 CG ASN A 57 2.706 -3.285 6.657 1.00 30.41 C ATOM 951 OD1 ASN A 57 3.653 -3.966 7.039 1.00 23.30 O ATOM 952 ND2 ASN A 57 1.671 -3.056 7.445 1.00 3.13 N ATOM 0 H ASN A 57 1.294 -0.626 5.438 1.00 72.31 H new ATOM 0 HA ASN A 57 3.896 -1.137 6.454 1.00 44.21 H new ATOM 0 HB2 ASN A 57 1.788 -2.537 4.863 1.00 31.31 H new ATOM 0 HB3 ASN A 57 3.427 -3.117 4.639 1.00 31.31 H new ATOM 0 HD21 ASN A 57 1.651 -3.447 8.387 1.00 3.13 H new ATOM 0 HD22 ASN A 57 0.892 -2.488 7.112 1.00 3.13 H new ATOM 959 N GLU A 58 3.501 -0.368 3.288 1.00 35.03 N ATOM 960 CA GLU A 58 4.160 -0.088 2.037 1.00 43.25 C ATOM 961 C GLU A 58 4.804 1.293 2.098 1.00 24.04 C ATOM 962 O GLU A 58 5.900 1.481 1.563 1.00 1.42 O ATOM 963 CB GLU A 58 3.160 -0.252 0.886 1.00 0.20 C ATOM 964 CG GLU A 58 3.871 -0.650 -0.414 1.00 20.32 C ATOM 965 CD GLU A 58 4.295 -2.129 -0.477 1.00 32.41 C ATOM 966 OE1 GLU A 58 4.680 -2.740 0.547 1.00 53.22 O ATOM 967 OE2 GLU A 58 4.377 -2.701 -1.593 1.00 4.32 O ATOM 0 H GLU A 58 2.486 -0.271 3.259 1.00 35.03 H new ATOM 0 HA GLU A 58 4.967 -0.798 1.852 1.00 43.25 H new ATOM 0 HB2 GLU A 58 2.422 -1.011 1.147 1.00 0.20 H new ATOM 0 HB3 GLU A 58 2.618 0.682 0.736 1.00 0.20 H new ATOM 0 HG2 GLU A 58 3.211 -0.437 -1.255 1.00 20.32 H new ATOM 0 HG3 GLU A 58 4.756 -0.025 -0.537 1.00 20.32 H new ATOM 974 N ARG A 59 4.196 2.245 2.822 1.00 60.01 N ATOM 975 CA ARG A 59 4.822 3.544 3.039 1.00 0.53 C ATOM 976 C ARG A 59 6.085 3.397 3.867 1.00 42.23 C ATOM 977 O ARG A 59 7.068 4.063 3.571 1.00 42.12 O ATOM 978 CB ARG A 59 3.854 4.562 3.662 1.00 71.13 C ATOM 979 CG ARG A 59 4.285 6.020 3.396 1.00 34.02 C ATOM 980 CD ARG A 59 4.180 6.354 1.900 1.00 31.31 C ATOM 981 NE ARG A 59 4.016 7.789 1.613 1.00 2.34 N ATOM 982 CZ ARG A 59 3.358 8.269 0.546 1.00 44.31 C ATOM 983 NH1 ARG A 59 2.940 7.436 -0.398 1.00 72.44 N ATOM 984 NH2 ARG A 59 3.112 9.570 0.451 1.00 72.31 N ATOM 0 H ARG A 59 3.281 2.135 3.260 1.00 60.01 H new ATOM 0 HA ARG A 59 5.098 3.940 2.062 1.00 0.53 H new ATOM 0 HB2 ARG A 59 2.854 4.402 3.259 1.00 71.13 H new ATOM 0 HB3 ARG A 59 3.796 4.393 4.737 1.00 71.13 H new ATOM 0 HG2 ARG A 59 3.657 6.701 3.970 1.00 34.02 H new ATOM 0 HG3 ARG A 59 5.310 6.169 3.736 1.00 34.02 H new ATOM 0 HD2 ARG A 59 5.076 5.994 1.395 1.00 31.31 H new ATOM 0 HD3 ARG A 59 3.335 5.811 1.476 1.00 31.31 H new ATOM 0 HE ARG A 59 4.427 8.458 2.264 1.00 2.34 H new ATOM 0 HH11 ARG A 59 3.119 6.436 -0.311 1.00 72.44 H new ATOM 0 HH12 ARG A 59 2.440 7.796 -1.211 1.00 72.44 H new ATOM 0 HH21 ARG A 59 3.423 10.203 1.188 1.00 72.31 H new ATOM 0 HH22 ARG A 59 2.612 9.937 -0.359 1.00 72.31 H new ATOM 998 N ALA A 60 6.078 2.512 4.863 1.00 71.44 N ATOM 999 CA ALA A 60 7.229 2.286 5.723 1.00 52.41 C ATOM 1000 C ALA A 60 8.387 1.720 4.904 1.00 43.54 C ATOM 1001 O ALA A 60 9.492 2.258 4.981 1.00 34.22 O ATOM 1002 CB ALA A 60 6.855 1.366 6.890 1.00 11.13 C ATOM 0 H ALA A 60 5.271 1.933 5.093 1.00 71.44 H new ATOM 0 HA ALA A 60 7.552 3.236 6.149 1.00 52.41 H new ATOM 0 HB1 ALA A 60 7.728 1.208 7.523 1.00 11.13 H new ATOM 0 HB2 ALA A 60 6.060 1.827 7.477 1.00 11.13 H new ATOM 0 HB3 ALA A 60 6.510 0.408 6.502 1.00 11.13 H new ATOM 1008 N LYS A 61 8.154 0.679 4.092 1.00 52.51 N ATOM 1009 CA LYS A 61 9.233 0.117 3.281 1.00 54.31 C ATOM 1010 C LYS A 61 9.722 1.152 2.274 1.00 13.24 C ATOM 1011 O LYS A 61 10.933 1.266 2.087 1.00 75.02 O ATOM 1012 CB LYS A 61 8.845 -1.240 2.655 1.00 31.42 C ATOM 1013 CG LYS A 61 8.280 -1.174 1.230 1.00 2.14 C ATOM 1014 CD LYS A 61 7.983 -2.565 0.673 1.00 63.24 C ATOM 1015 CE LYS A 61 7.550 -2.368 -0.779 1.00 40.12 C ATOM 1016 NZ LYS A 61 7.070 -3.606 -1.411 1.00 4.14 N ATOM 0 H LYS A 61 7.249 0.221 3.983 1.00 52.51 H new ATOM 0 HA LYS A 61 10.079 -0.116 3.928 1.00 54.31 H new ATOM 0 HB2 LYS A 61 9.726 -1.882 2.648 1.00 31.42 H new ATOM 0 HB3 LYS A 61 8.106 -1.719 3.298 1.00 31.42 H new ATOM 0 HG2 LYS A 61 7.367 -0.579 1.228 1.00 2.14 H new ATOM 0 HG3 LYS A 61 8.992 -0.666 0.580 1.00 2.14 H new ATOM 0 HD2 LYS A 61 8.865 -3.203 0.732 1.00 63.24 H new ATOM 0 HD3 LYS A 61 7.197 -3.054 1.249 1.00 63.24 H new ATOM 0 HE2 LYS A 61 6.760 -1.618 -0.818 1.00 40.12 H new ATOM 0 HE3 LYS A 61 8.390 -1.977 -1.352 1.00 40.12 H new ATOM 0 HZ1 LYS A 61 7.653 -3.818 -2.246 1.00 4.14 H new ATOM 0 HZ2 LYS A 61 7.138 -4.391 -0.732 1.00 4.14 H new ATOM 0 HZ3 LYS A 61 6.079 -3.485 -1.703 1.00 4.14 H new ATOM 1030 N TRP A 62 8.821 1.898 1.625 1.00 35.44 N ATOM 1031 CA TRP A 62 9.225 2.900 0.646 1.00 35.24 C ATOM 1032 C TRP A 62 9.978 4.040 1.334 1.00 21.14 C ATOM 1033 O TRP A 62 10.894 4.611 0.753 1.00 52.45 O ATOM 1034 CB TRP A 62 8.010 3.405 -0.139 1.00 74.21 C ATOM 1035 CG TRP A 62 8.317 3.956 -1.501 1.00 71.03 C ATOM 1036 CD1 TRP A 62 8.281 3.261 -2.662 1.00 74.12 C ATOM 1037 CD2 TRP A 62 8.791 5.284 -1.870 1.00 53.55 C ATOM 1038 NE1 TRP A 62 8.678 4.055 -3.713 1.00 60.45 N ATOM 1039 CE2 TRP A 62 8.950 5.330 -3.289 1.00 52.43 C ATOM 1040 CE3 TRP A 62 9.145 6.441 -1.147 1.00 41.51 C ATOM 1041 CZ2 TRP A 62 9.355 6.485 -3.966 1.00 74.01 C ATOM 1042 CZ3 TRP A 62 9.640 7.577 -1.814 1.00 11.51 C ATOM 1043 CH2 TRP A 62 9.692 7.618 -3.216 1.00 21.40 C ATOM 0 H TRP A 62 7.813 1.824 1.763 1.00 35.44 H new ATOM 0 HA TRP A 62 9.906 2.443 -0.072 1.00 35.24 H new ATOM 0 HB2 TRP A 62 7.300 2.585 -0.247 1.00 74.21 H new ATOM 0 HB3 TRP A 62 7.515 4.180 0.446 1.00 74.21 H new ATOM 0 HD1 TRP A 62 7.982 2.227 -2.751 1.00 74.12 H new ATOM 0 HE1 TRP A 62 8.759 3.737 -4.679 1.00 60.45 H new ATOM 0 HE3 TRP A 62 9.035 6.456 -0.073 1.00 41.51 H new ATOM 0 HZ2 TRP A 62 9.407 6.502 -5.045 1.00 74.01 H new ATOM 0 HZ3 TRP A 62 9.983 8.426 -1.241 1.00 11.51 H new ATOM 0 HH2 TRP A 62 9.993 8.526 -3.717 1.00 21.40 H new ATOM 1054 N LYS A 63 9.668 4.355 2.596 1.00 73.14 N ATOM 1055 CA LYS A 63 10.373 5.401 3.330 1.00 74.45 C ATOM 1056 C LYS A 63 11.855 5.115 3.510 1.00 12.14 C ATOM 1057 O LYS A 63 12.582 6.083 3.726 1.00 24.42 O ATOM 1058 CB LYS A 63 9.703 5.645 4.694 1.00 43.13 C ATOM 1059 CG LYS A 63 8.824 6.907 4.680 1.00 4.31 C ATOM 1060 CD LYS A 63 9.274 7.930 5.733 1.00 71.23 C ATOM 1061 CE LYS A 63 10.568 8.669 5.350 1.00 62.14 C ATOM 1062 NZ LYS A 63 11.825 8.006 5.765 1.00 62.04 N ATOM 0 H LYS A 63 8.929 3.896 3.129 1.00 73.14 H new ATOM 0 HA LYS A 63 10.305 6.304 2.723 1.00 74.45 H new ATOM 0 HB2 LYS A 63 9.094 4.781 4.960 1.00 43.13 H new ATOM 0 HB3 LYS A 63 10.469 5.744 5.463 1.00 43.13 H new ATOM 0 HG2 LYS A 63 8.861 7.364 3.691 1.00 4.31 H new ATOM 0 HG3 LYS A 63 7.786 6.629 4.864 1.00 4.31 H new ATOM 0 HD2 LYS A 63 8.478 8.660 5.884 1.00 71.23 H new ATOM 0 HD3 LYS A 63 9.423 7.420 6.685 1.00 71.23 H new ATOM 0 HE2 LYS A 63 10.586 8.798 4.268 1.00 62.14 H new ATOM 0 HE3 LYS A 63 10.541 9.666 5.790 1.00 62.14 H new ATOM 0 HZ1 LYS A 63 12.574 8.719 5.875 1.00 62.04 H new ATOM 0 HZ2 LYS A 63 11.677 7.517 6.671 1.00 62.04 H new ATOM 0 HZ3 LYS A 63 12.109 7.316 5.041 1.00 62.04 H new ATOM 1076 N ARG A 64 12.307 3.861 3.413 1.00 71.14 N ATOM 1077 CA ARG A 64 13.733 3.536 3.458 1.00 73.35 C ATOM 1078 C ARG A 64 14.420 3.736 2.106 1.00 64.25 C ATOM 1079 O ARG A 64 15.642 3.726 2.050 1.00 32.30 O ATOM 1080 CB ARG A 64 13.934 2.113 4.009 1.00 20.44 C ATOM 1081 CG ARG A 64 13.452 2.034 5.468 1.00 42.41 C ATOM 1082 CD ARG A 64 14.008 0.811 6.219 1.00 73.13 C ATOM 1083 NE ARG A 64 15.013 1.176 7.239 1.00 3.14 N ATOM 1084 CZ ARG A 64 15.554 0.334 8.133 1.00 42.23 C ATOM 1085 NH1 ARG A 64 15.247 -0.961 8.101 1.00 11.24 N ATOM 1086 NH2 ARG A 64 16.388 0.785 9.067 1.00 54.42 N ATOM 0 H ARG A 64 11.699 3.050 3.302 1.00 71.14 H new ATOM 0 HA ARG A 64 14.216 4.236 4.140 1.00 73.35 H new ATOM 0 HB2 ARG A 64 13.384 1.398 3.398 1.00 20.44 H new ATOM 0 HB3 ARG A 64 14.987 1.838 3.951 1.00 20.44 H new ATOM 0 HG2 ARG A 64 13.749 2.942 5.993 1.00 42.41 H new ATOM 0 HG3 ARG A 64 12.363 1.999 5.484 1.00 42.41 H new ATOM 0 HD2 ARG A 64 13.186 0.280 6.699 1.00 73.13 H new ATOM 0 HD3 ARG A 64 14.457 0.123 5.502 1.00 73.13 H new ATOM 0 HE ARG A 64 15.321 2.148 7.266 1.00 3.14 H new ATOM 0 HH11 ARG A 64 14.600 -1.314 7.396 1.00 11.24 H new ATOM 0 HH12 ARG A 64 15.659 -1.600 8.781 1.00 11.24 H new ATOM 0 HH21 ARG A 64 16.620 1.777 9.107 1.00 54.42 H new ATOM 0 HH22 ARG A 64 16.795 0.138 9.743 1.00 54.42 H new ATOM 1100 N ILE A 65 13.658 3.949 1.033 1.00 4.33 N ATOM 1101 CA ILE A 65 14.169 4.240 -0.309 1.00 62.35 C ATOM 1102 C ILE A 65 14.535 5.723 -0.434 1.00 71.14 C ATOM 1103 O ILE A 65 15.256 6.094 -1.363 1.00 62.33 O ATOM 1104 CB ILE A 65 13.146 3.816 -1.398 1.00 40.22 C ATOM 1105 CG1 ILE A 65 12.705 2.357 -1.164 1.00 42.32 C ATOM 1106 CG2 ILE A 65 13.747 4.000 -2.800 1.00 0.43 C ATOM 1107 CD1 ILE A 65 11.697 1.799 -2.177 1.00 21.33 C ATOM 0 H ILE A 65 12.639 3.923 1.073 1.00 4.33 H new ATOM 0 HA ILE A 65 15.075 3.655 -0.466 1.00 62.35 H new ATOM 0 HB ILE A 65 12.265 4.454 -1.329 1.00 40.22 H new ATOM 0 HG12 ILE A 65 13.591 1.722 -1.173 1.00 42.32 H new ATOM 0 HG13 ILE A 65 12.270 2.283 -0.167 1.00 42.32 H new ATOM 0 HG21 ILE A 65 13.017 3.698 -3.551 1.00 0.43 H new ATOM 0 HG22 ILE A 65 14.009 5.047 -2.949 1.00 0.43 H new ATOM 0 HG23 ILE A 65 14.642 3.385 -2.896 1.00 0.43 H new ATOM 0 HD11 ILE A 65 11.455 0.768 -1.920 1.00 21.33 H new ATOM 0 HD12 ILE A 65 10.788 2.401 -2.155 1.00 21.33 H new ATOM 0 HD13 ILE A 65 12.130 1.831 -3.177 1.00 21.33 H new ATOM 1119 N LYS A 66 14.054 6.582 0.477 1.00 63.15 N ATOM 1120 CA LYS A 66 14.463 7.973 0.581 1.00 11.34 C ATOM 1121 C LYS A 66 15.940 8.024 0.980 1.00 55.42 C ATOM 1122 O LYS A 66 16.283 8.230 2.145 1.00 24.43 O ATOM 1123 CB LYS A 66 13.513 8.737 1.511 1.00 51.22 C ATOM 1124 CG LYS A 66 13.468 10.219 1.182 1.00 20.14 C ATOM 1125 CD LYS A 66 14.771 10.944 1.567 1.00 11.10 C ATOM 1126 CE LYS A 66 14.447 12.380 1.933 1.00 54.43 C ATOM 1127 NZ LYS A 66 14.326 13.255 0.746 1.00 62.25 N ATOM 0 H LYS A 66 13.356 6.315 1.172 1.00 63.15 H new ATOM 0 HA LYS A 66 14.386 8.486 -0.378 1.00 11.34 H new ATOM 0 HB2 LYS A 66 12.510 8.317 1.431 1.00 51.22 H new ATOM 0 HB3 LYS A 66 13.832 8.604 2.545 1.00 51.22 H new ATOM 0 HG2 LYS A 66 13.286 10.346 0.115 1.00 20.14 H new ATOM 0 HG3 LYS A 66 12.630 10.680 1.706 1.00 20.14 H new ATOM 0 HD2 LYS A 66 15.248 10.440 2.407 1.00 11.10 H new ATOM 0 HD3 LYS A 66 15.476 10.917 0.737 1.00 11.10 H new ATOM 0 HE2 LYS A 66 13.514 12.406 2.496 1.00 54.43 H new ATOM 0 HE3 LYS A 66 15.226 12.769 2.589 1.00 54.43 H new ATOM 0 HZ1 LYS A 66 14.104 14.224 1.050 1.00 62.25 H new ATOM 0 HZ2 LYS A 66 15.224 13.254 0.221 1.00 62.25 H new ATOM 0 HZ3 LYS A 66 13.565 12.903 0.131 1.00 62.25 H new ATOM 1141 N ALA A 67 16.795 7.811 -0.011 1.00 35.42 N ATOM 1142 CA ALA A 67 18.231 7.777 0.118 1.00 75.13 C ATOM 1143 C ALA A 67 18.754 9.207 0.299 1.00 11.20 C ATOM 1144 O ALA A 67 19.720 9.447 1.015 1.00 32.20 O ATOM 1145 CB ALA A 67 18.814 7.093 -1.121 1.00 1.52 C ATOM 0 H ALA A 67 16.483 7.651 -0.969 1.00 35.42 H new ATOM 0 HA ALA A 67 18.538 7.206 0.994 1.00 75.13 H new ATOM 0 HB1 ALA A 67 19.900 7.059 -1.040 1.00 1.52 H new ATOM 0 HB2 ALA A 67 18.423 6.078 -1.194 1.00 1.52 H new ATOM 0 HB3 ALA A 67 18.534 7.655 -2.012 1.00 1.52 H new ATOM 1151 N GLY A 68 18.072 10.172 -0.325 1.00 52.51 N ATOM 1152 CA GLY A 68 18.341 11.599 -0.229 1.00 63.34 C ATOM 1153 C GLY A 68 19.622 12.016 -0.948 1.00 73.02 C ATOM 1154 O GLY A 68 20.159 13.085 -0.651 1.00 41.34 O ATOM 0 H GLY A 68 17.283 9.964 -0.937 1.00 52.51 H new ATOM 0 HA2 GLY A 68 17.500 12.150 -0.649 1.00 63.34 H new ATOM 0 HA3 GLY A 68 18.413 11.879 0.822 1.00 63.34 H new ATOM 1158 N ASN A 69 20.135 11.194 -1.865 1.00 73.42 N ATOM 1159 CA ASN A 69 21.252 11.448 -2.747 1.00 64.42 C ATOM 1160 C ASN A 69 21.174 10.416 -3.869 1.00 62.43 C ATOM 1161 O ASN A 69 20.644 9.314 -3.707 1.00 52.44 O ATOM 1162 CB ASN A 69 22.604 11.384 -2.031 1.00 43.44 C ATOM 1163 CG ASN A 69 23.735 11.637 -3.015 1.00 11.10 C ATOM 1164 OD1 ASN A 69 24.426 10.714 -3.425 1.00 11.14 O ATOM 1165 ND2 ASN A 69 23.966 12.878 -3.399 1.00 62.25 N ATOM 0 H ASN A 69 19.743 10.264 -2.014 1.00 73.42 H new ATOM 0 HA ASN A 69 21.185 12.464 -3.136 1.00 64.42 H new ATOM 0 HB2 ASN A 69 22.635 12.125 -1.232 1.00 43.44 H new ATOM 0 HB3 ASN A 69 22.730 10.407 -1.565 1.00 43.44 H new ATOM 0 HD21 ASN A 69 24.729 13.078 -4.046 1.00 62.25 H new ATOM 0 HD22 ASN A 69 23.382 13.637 -3.049 1.00 62.25 H new ATOM 1172 N VAL A 70 21.604 10.808 -5.054 1.00 24.12 N ATOM 1173 CA VAL A 70 21.752 9.962 -6.237 1.00 61.03 C ATOM 1174 C VAL A 70 22.907 8.937 -6.110 1.00 4.44 C ATOM 1175 O VAL A 70 23.565 8.642 -7.106 1.00 41.45 O ATOM 1176 CB VAL A 70 21.870 10.882 -7.476 1.00 0.30 C ATOM 1177 CG1 VAL A 70 20.598 11.738 -7.629 1.00 64.24 C ATOM 1178 CG2 VAL A 70 23.103 11.805 -7.448 1.00 63.41 C ATOM 0 H VAL A 70 21.875 11.775 -5.233 1.00 24.12 H new ATOM 0 HA VAL A 70 20.868 9.334 -6.348 1.00 61.03 H new ATOM 0 HB VAL A 70 21.990 10.216 -8.331 1.00 0.30 H new ATOM 0 HG11 VAL A 70 20.695 12.380 -8.504 1.00 64.24 H new ATOM 0 HG12 VAL A 70 19.733 11.086 -7.751 1.00 64.24 H new ATOM 0 HG13 VAL A 70 20.465 12.354 -6.740 1.00 64.24 H new ATOM 0 HG21 VAL A 70 23.118 12.419 -8.348 1.00 63.41 H new ATOM 0 HG22 VAL A 70 23.056 12.449 -6.570 1.00 63.41 H new ATOM 0 HG23 VAL A 70 24.009 11.201 -7.406 1.00 63.41 H new ATOM 1188 N SER A 71 23.215 8.429 -4.907 1.00 53.11 N ATOM 1189 CA SER A 71 24.407 7.619 -4.666 1.00 41.34 C ATOM 1190 C SER A 71 24.425 6.372 -5.526 1.00 24.31 C ATOM 1191 O SER A 71 25.539 5.952 -5.904 1.00 44.12 O ATOM 1192 CB SER A 71 24.502 7.211 -3.200 1.00 20.40 C ATOM 1193 OG SER A 71 24.775 8.304 -2.346 1.00 44.15 O ATOM 0 H SER A 71 22.640 8.572 -4.076 1.00 53.11 H new ATOM 0 HA SER A 71 25.264 8.239 -4.930 1.00 41.34 H new ATOM 0 HB2 SER A 71 23.566 6.743 -2.896 1.00 20.40 H new ATOM 0 HB3 SER A 71 25.285 6.461 -3.086 1.00 20.40 H new ATOM 0 HG SER A 71 24.935 9.107 -2.884 1.00 44.15 H new TER 1199 SER A 71