USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 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 47 SER OG : rot -170:sc= 0.0929 USER MOD Set 1.2: A 50 GLN : amide:sc= 0.322 K(o=0.41,f=-0.59) USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= -0.363 USER MOD Set 2.2: A 18 GLN : amide:sc= 1.71 K(o=1.3,f=-6.7!) USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0164 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 36:sc= 0.131 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 0.736 (180deg=0.647) USER MOD Single : A 27 HIS : no HE2:sc= 0.273 K(o=0.27,f=-1.8) USER MOD Single : A 28 CYS SG : rot 81:sc= 1.05 USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 1.17 (180deg=0.27) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -20:sc= 0.306 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= -0.352 X(o=-0.35,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+ -171:sc= 0 (180deg=-0.0681) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.29) USER MOD Single : A 57 ASN : amide:sc= 0.206 X(o=0.21,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= 1.03 (180deg=0.315) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.929 K(o=0.93,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.061 0.784 -18.271 1.00 32.24 N ATOM 2 CA GLY A 1 14.371 1.710 -17.172 1.00 44.21 C ATOM 3 C GLY A 1 14.078 1.073 -15.823 1.00 53.51 C ATOM 4 O GLY A 1 13.091 0.351 -15.692 1.00 50.12 O ATOM 0 H1 GLY A 1 13.496 1.277 -18.991 1.00 32.24 H new ATOM 0 H2 GLY A 1 14.946 0.444 -18.698 1.00 32.24 H new ATOM 0 H3 GLY A 1 13.522 -0.025 -17.902 1.00 32.24 H new ATOM 0 HA2 GLY A 1 15.421 2.000 -17.221 1.00 44.21 H new ATOM 0 HA3 GLY A 1 13.783 2.621 -17.283 1.00 44.21 H new ATOM 8 N ALA A 2 14.933 1.323 -14.823 1.00 32.24 N ATOM 9 CA ALA A 2 14.682 1.098 -13.395 1.00 43.52 C ATOM 10 C ALA A 2 14.006 -0.248 -13.042 1.00 71.03 C ATOM 11 O ALA A 2 12.932 -0.230 -12.431 1.00 53.41 O ATOM 12 CB ALA A 2 13.899 2.305 -12.861 1.00 50.23 C ATOM 0 H ALA A 2 15.862 1.706 -14.997 1.00 32.24 H new ATOM 0 HA ALA A 2 15.649 1.011 -12.900 1.00 43.52 H new ATOM 0 HB1 ALA A 2 13.697 2.167 -11.799 1.00 50.23 H new ATOM 0 HB2 ALA A 2 14.487 3.212 -13.003 1.00 50.23 H new ATOM 0 HB3 ALA A 2 12.956 2.395 -13.401 1.00 50.23 H new ATOM 18 N PRO A 3 14.582 -1.409 -13.404 1.00 53.51 N ATOM 19 CA PRO A 3 13.957 -2.712 -13.176 1.00 41.11 C ATOM 20 C PRO A 3 13.803 -3.002 -11.677 1.00 51.33 C ATOM 21 O PRO A 3 14.459 -2.368 -10.847 1.00 63.42 O ATOM 22 CB PRO A 3 14.882 -3.724 -13.858 1.00 14.13 C ATOM 23 CG PRO A 3 16.248 -3.051 -13.786 1.00 13.45 C ATOM 24 CD PRO A 3 15.925 -1.566 -13.935 1.00 70.44 C ATOM 0 HA PRO A 3 12.947 -2.756 -13.584 1.00 41.11 H new ATOM 0 HB2 PRO A 3 14.878 -4.684 -13.342 1.00 14.13 H new ATOM 0 HB3 PRO A 3 14.581 -3.915 -14.888 1.00 14.13 H new ATOM 0 HG2 PRO A 3 16.748 -3.260 -12.840 1.00 13.45 H new ATOM 0 HG3 PRO A 3 16.909 -3.399 -14.580 1.00 13.45 H new ATOM 0 HD2 PRO A 3 16.639 -0.952 -13.386 1.00 70.44 H new ATOM 0 HD3 PRO A 3 15.974 -1.256 -14.979 1.00 70.44 H new ATOM 32 N GLY A 4 12.977 -3.991 -11.332 1.00 3.22 N ATOM 33 CA GLY A 4 12.677 -4.360 -9.955 1.00 21.21 C ATOM 34 C GLY A 4 12.250 -5.821 -9.895 1.00 45.14 C ATOM 35 O GLY A 4 13.108 -6.704 -9.893 1.00 53.14 O ATOM 0 H GLY A 4 12.490 -4.567 -12.019 1.00 3.22 H new ATOM 0 HA2 GLY A 4 13.554 -4.201 -9.327 1.00 21.21 H new ATOM 0 HA3 GLY A 4 11.884 -3.723 -9.562 1.00 21.21 H new ATOM 39 N GLY A 5 10.946 -6.103 -9.909 1.00 72.31 N ATOM 40 CA GLY A 5 10.384 -7.455 -9.891 1.00 61.14 C ATOM 41 C GLY A 5 10.410 -8.063 -8.485 1.00 70.02 C ATOM 42 O GLY A 5 9.371 -8.427 -7.943 1.00 24.01 O ATOM 0 H GLY A 5 10.231 -5.376 -9.934 1.00 72.31 H new ATOM 0 HA2 GLY A 5 9.357 -7.427 -10.256 1.00 61.14 H new ATOM 0 HA3 GLY A 5 10.947 -8.092 -10.573 1.00 61.14 H new ATOM 46 N LYS A 6 11.598 -8.158 -7.896 1.00 50.22 N ATOM 47 CA LYS A 6 11.914 -8.818 -6.641 1.00 13.32 C ATOM 48 C LYS A 6 10.996 -8.346 -5.511 1.00 64.42 C ATOM 49 O LYS A 6 11.033 -7.167 -5.150 1.00 12.45 O ATOM 50 CB LYS A 6 13.373 -8.516 -6.262 1.00 62.24 C ATOM 51 CG LYS A 6 14.442 -8.932 -7.288 1.00 22.25 C ATOM 52 CD LYS A 6 15.785 -8.322 -6.867 1.00 44.53 C ATOM 53 CE LYS A 6 16.913 -8.525 -7.885 1.00 12.41 C ATOM 54 NZ LYS A 6 17.479 -9.889 -7.872 1.00 22.03 N ATOM 0 H LYS A 6 12.427 -7.742 -8.320 1.00 50.22 H new ATOM 0 HA LYS A 6 11.767 -9.890 -6.776 1.00 13.32 H new ATOM 0 HB2 LYS A 6 13.466 -7.444 -6.086 1.00 62.24 H new ATOM 0 HB3 LYS A 6 13.592 -9.015 -5.318 1.00 62.24 H new ATOM 0 HG2 LYS A 6 14.518 -10.018 -7.336 1.00 22.25 H new ATOM 0 HG3 LYS A 6 14.165 -8.587 -8.284 1.00 22.25 H new ATOM 0 HD2 LYS A 6 15.650 -7.253 -6.700 1.00 44.53 H new ATOM 0 HD3 LYS A 6 16.087 -8.758 -5.915 1.00 44.53 H new ATOM 0 HE2 LYS A 6 16.534 -8.307 -8.884 1.00 12.41 H new ATOM 0 HE3 LYS A 6 17.708 -7.808 -7.682 1.00 12.41 H new ATOM 0 HZ1 LYS A 6 18.235 -9.958 -8.583 1.00 22.03 H new ATOM 0 HZ2 LYS A 6 17.869 -10.094 -6.930 1.00 22.03 H new ATOM 0 HZ3 LYS A 6 16.732 -10.577 -8.094 1.00 22.03 H new ATOM 68 N SER A 7 10.236 -9.252 -4.908 1.00 23.41 N ATOM 69 CA SER A 7 9.619 -9.110 -3.599 1.00 51.54 C ATOM 70 C SER A 7 9.446 -10.490 -2.967 1.00 50.23 C ATOM 71 O SER A 7 9.064 -11.443 -3.642 1.00 51.43 O ATOM 72 CB SER A 7 8.239 -8.463 -3.748 1.00 11.35 C ATOM 73 OG SER A 7 8.308 -7.047 -3.692 1.00 70.22 O ATOM 0 H SER A 7 10.024 -10.150 -5.342 1.00 23.41 H new ATOM 0 HA SER A 7 10.255 -8.487 -2.970 1.00 51.54 H new ATOM 0 HB2 SER A 7 7.796 -8.767 -4.696 1.00 11.35 H new ATOM 0 HB3 SER A 7 7.581 -8.826 -2.958 1.00 11.35 H new ATOM 0 HG SER A 7 9.132 -6.742 -4.127 1.00 70.22 H new ATOM 79 N ARG A 8 9.625 -10.577 -1.648 1.00 13.54 N ATOM 80 CA ARG A 8 9.289 -11.719 -0.792 1.00 73.44 C ATOM 81 C ARG A 8 8.985 -11.160 0.593 1.00 63.10 C ATOM 82 O ARG A 8 9.881 -10.534 1.165 1.00 53.22 O ATOM 83 CB ARG A 8 10.473 -12.711 -0.725 1.00 21.15 C ATOM 84 CG ARG A 8 10.430 -13.812 -1.804 1.00 33.02 C ATOM 85 CD ARG A 8 11.724 -13.983 -2.616 1.00 24.35 C ATOM 86 NE ARG A 8 12.934 -14.210 -1.804 1.00 21.15 N ATOM 87 CZ ARG A 8 13.171 -15.234 -0.974 1.00 14.52 C ATOM 88 NH1 ARG A 8 12.312 -16.232 -0.843 1.00 51.32 N ATOM 89 NH2 ARG A 8 14.290 -15.256 -0.266 1.00 61.11 N ATOM 0 H ARG A 8 10.032 -9.808 -1.116 1.00 13.54 H new ATOM 0 HA ARG A 8 8.431 -12.262 -1.189 1.00 73.44 H new ATOM 0 HB2 ARG A 8 11.405 -12.155 -0.824 1.00 21.15 H new ATOM 0 HB3 ARG A 8 10.485 -13.181 0.259 1.00 21.15 H new ATOM 0 HG2 ARG A 8 10.194 -14.761 -1.323 1.00 33.02 H new ATOM 0 HG3 ARG A 8 9.614 -13.592 -2.493 1.00 33.02 H new ATOM 0 HD2 ARG A 8 11.599 -14.822 -3.301 1.00 24.35 H new ATOM 0 HD3 ARG A 8 11.874 -13.093 -3.227 1.00 24.35 H new ATOM 0 HE ARG A 8 13.672 -13.510 -1.883 1.00 21.15 H new ATOM 0 HH11 ARG A 8 11.446 -16.233 -1.381 1.00 51.32 H new ATOM 0 HH12 ARG A 8 12.516 -17.000 -0.204 1.00 51.32 H new ATOM 0 HH21 ARG A 8 14.965 -14.496 -0.355 1.00 61.11 H new ATOM 0 HH22 ARG A 8 14.477 -16.033 0.368 1.00 61.11 H new ATOM 103 N ARG A 9 7.751 -11.287 1.096 1.00 64.31 N ATOM 104 CA ARG A 9 7.349 -10.957 2.472 1.00 4.41 C ATOM 105 C ARG A 9 6.003 -11.612 2.758 1.00 33.42 C ATOM 106 O ARG A 9 5.271 -11.902 1.811 1.00 23.23 O ATOM 107 CB ARG A 9 7.217 -9.431 2.668 1.00 54.14 C ATOM 108 CG ARG A 9 8.366 -8.886 3.520 1.00 22.22 C ATOM 109 CD ARG A 9 8.177 -7.400 3.810 1.00 65.22 C ATOM 110 NE ARG A 9 9.412 -6.845 4.379 1.00 22.14 N ATOM 111 CZ ARG A 9 10.255 -5.978 3.819 1.00 42.14 C ATOM 112 NH1 ARG A 9 9.941 -5.378 2.674 1.00 45.33 N ATOM 113 NH2 ARG A 9 11.419 -5.747 4.407 1.00 5.52 N ATOM 0 H ARG A 9 6.974 -11.636 0.535 1.00 64.31 H new ATOM 0 HA ARG A 9 8.114 -11.325 3.155 1.00 4.41 H new ATOM 0 HB2 ARG A 9 7.212 -8.935 1.697 1.00 54.14 H new ATOM 0 HB3 ARG A 9 6.265 -9.203 3.147 1.00 54.14 H new ATOM 0 HG2 ARG A 9 8.421 -9.439 4.458 1.00 22.22 H new ATOM 0 HG3 ARG A 9 9.312 -9.041 3.002 1.00 22.22 H new ATOM 0 HD2 ARG A 9 7.918 -6.871 2.893 1.00 65.22 H new ATOM 0 HD3 ARG A 9 7.349 -7.258 4.505 1.00 65.22 H new ATOM 0 HE ARG A 9 9.654 -7.162 5.318 1.00 22.14 H new ATOM 0 HH11 ARG A 9 9.051 -5.581 2.220 1.00 45.33 H new ATOM 0 HH12 ARG A 9 10.591 -4.715 2.251 1.00 45.33 H new ATOM 0 HH21 ARG A 9 11.657 -6.229 5.274 1.00 5.52 H new ATOM 0 HH22 ARG A 9 12.077 -5.087 3.993 1.00 5.52 H new ATOM 127 N ARG A 10 5.628 -11.780 4.030 1.00 23.35 N ATOM 128 CA ARG A 10 4.287 -12.238 4.393 1.00 24.23 C ATOM 129 C ARG A 10 3.314 -11.078 4.317 1.00 2.42 C ATOM 130 O ARG A 10 3.400 -10.154 5.125 1.00 52.44 O ATOM 131 CB ARG A 10 4.253 -12.834 5.802 1.00 32.35 C ATOM 132 CG ARG A 10 4.849 -14.246 5.824 1.00 52.34 C ATOM 133 CD ARG A 10 4.506 -14.941 7.140 1.00 54.22 C ATOM 134 NE ARG A 10 3.072 -15.266 7.230 1.00 54.31 N ATOM 135 CZ ARG A 10 2.447 -15.689 8.333 1.00 1.32 C ATOM 136 NH1 ARG A 10 3.116 -15.816 9.472 1.00 60.34 N ATOM 137 NH2 ARG A 10 1.156 -15.984 8.287 1.00 43.30 N ATOM 0 H ARG A 10 6.239 -11.604 4.828 1.00 23.35 H new ATOM 0 HA ARG A 10 4.001 -13.018 3.688 1.00 24.23 H new ATOM 0 HB2 ARG A 10 4.809 -12.191 6.484 1.00 32.35 H new ATOM 0 HB3 ARG A 10 3.224 -12.866 6.161 1.00 32.35 H new ATOM 0 HG2 ARG A 10 4.462 -14.826 4.986 1.00 52.34 H new ATOM 0 HG3 ARG A 10 5.931 -14.194 5.703 1.00 52.34 H new ATOM 0 HD2 ARG A 10 5.092 -15.855 7.232 1.00 54.22 H new ATOM 0 HD3 ARG A 10 4.786 -14.298 7.974 1.00 54.22 H new ATOM 0 HE ARG A 10 2.512 -15.160 6.384 1.00 54.31 H new ATOM 0 HH11 ARG A 10 4.110 -15.591 9.507 1.00 60.34 H new ATOM 0 HH12 ARG A 10 2.636 -16.139 10.312 1.00 60.34 H new ATOM 0 HH21 ARG A 10 0.642 -15.888 7.411 1.00 43.30 H new ATOM 0 HH22 ARG A 10 0.676 -16.307 9.127 1.00 43.30 H new ATOM 151 N ARG A 11 2.387 -11.117 3.364 1.00 1.34 N ATOM 152 CA ARG A 11 1.336 -10.119 3.187 1.00 42.45 C ATOM 153 C ARG A 11 -0.012 -10.825 3.282 1.00 5.14 C ATOM 154 O ARG A 11 -0.078 -12.047 3.133 1.00 73.33 O ATOM 155 CB ARG A 11 1.534 -9.431 1.826 1.00 45.42 C ATOM 156 CG ARG A 11 2.882 -8.685 1.714 1.00 41.14 C ATOM 157 CD ARG A 11 3.448 -8.710 0.293 1.00 51.52 C ATOM 158 NE ARG A 11 3.801 -10.067 -0.151 1.00 72.10 N ATOM 159 CZ ARG A 11 4.373 -10.399 -1.310 1.00 62.13 C ATOM 160 NH1 ARG A 11 4.730 -9.471 -2.193 1.00 65.04 N ATOM 161 NH2 ARG A 11 4.599 -11.674 -1.584 1.00 1.45 N ATOM 0 H ARG A 11 2.345 -11.866 2.673 1.00 1.34 H new ATOM 0 HA ARG A 11 1.375 -9.350 3.959 1.00 42.45 H new ATOM 0 HB2 ARG A 11 1.473 -10.179 1.035 1.00 45.42 H new ATOM 0 HB3 ARG A 11 0.720 -8.725 1.661 1.00 45.42 H new ATOM 0 HG2 ARG A 11 2.749 -7.651 2.031 1.00 41.14 H new ATOM 0 HG3 ARG A 11 3.602 -9.137 2.397 1.00 41.14 H new ATOM 0 HD2 ARG A 11 2.715 -8.286 -0.394 1.00 51.52 H new ATOM 0 HD3 ARG A 11 4.333 -8.075 0.247 1.00 51.52 H new ATOM 0 HE ARG A 11 3.587 -10.830 0.491 1.00 72.10 H new ATOM 0 HH11 ARG A 11 4.568 -8.485 -1.990 1.00 65.04 H new ATOM 0 HH12 ARG A 11 5.166 -9.746 -3.073 1.00 65.04 H new ATOM 0 HH21 ARG A 11 4.336 -12.394 -0.911 1.00 1.45 H new ATOM 0 HH22 ARG A 11 5.036 -11.936 -2.468 1.00 1.45 H new ATOM 175 N THR A 12 -1.078 -10.068 3.512 1.00 53.22 N ATOM 176 CA THR A 12 -2.436 -10.593 3.517 1.00 1.13 C ATOM 177 C THR A 12 -2.812 -10.967 2.076 1.00 23.32 C ATOM 178 O THR A 12 -2.348 -10.322 1.126 1.00 14.53 O ATOM 179 CB THR A 12 -3.363 -9.552 4.160 1.00 1.22 C ATOM 180 OG1 THR A 12 -2.904 -9.195 5.462 1.00 1.41 O ATOM 181 CG2 THR A 12 -4.823 -9.986 4.309 1.00 10.24 C ATOM 0 H THR A 12 -1.023 -9.067 3.701 1.00 53.22 H new ATOM 0 HA THR A 12 -2.532 -11.500 4.114 1.00 1.13 H new ATOM 0 HB THR A 12 -3.330 -8.714 3.463 1.00 1.22 H new ATOM 0 HG1 THR A 12 -3.509 -8.530 5.851 1.00 1.41 H new ATOM 0 HG21 THR A 12 -5.396 -9.183 4.773 1.00 10.24 H new ATOM 0 HG22 THR A 12 -5.239 -10.207 3.326 1.00 10.24 H new ATOM 0 HG23 THR A 12 -4.876 -10.877 4.934 1.00 10.24 H new ATOM 189 N ALA A 13 -3.671 -11.979 1.914 1.00 11.54 N ATOM 190 CA ALA A 13 -4.219 -12.413 0.638 1.00 54.44 C ATOM 191 C ALA A 13 -5.027 -11.272 0.005 1.00 23.43 C ATOM 192 O ALA A 13 -6.172 -11.022 0.383 1.00 41.54 O ATOM 193 CB ALA A 13 -5.053 -13.682 0.841 1.00 21.42 C ATOM 0 H ALA A 13 -4.012 -12.534 2.699 1.00 11.54 H new ATOM 0 HA ALA A 13 -3.414 -12.660 -0.054 1.00 54.44 H new ATOM 0 HB1 ALA A 13 -5.462 -14.005 -0.116 1.00 21.42 H new ATOM 0 HB2 ALA A 13 -4.422 -14.471 1.251 1.00 21.42 H new ATOM 0 HB3 ALA A 13 -5.869 -13.474 1.533 1.00 21.42 H new ATOM 199 N PHE A 14 -4.386 -10.549 -0.908 1.00 62.41 N ATOM 200 CA PHE A 14 -4.987 -9.631 -1.865 1.00 34.21 C ATOM 201 C PHE A 14 -4.772 -10.263 -3.244 1.00 61.44 C ATOM 202 O PHE A 14 -3.672 -10.765 -3.519 1.00 21.11 O ATOM 203 CB PHE A 14 -4.280 -8.262 -1.816 1.00 10.50 C ATOM 204 CG PHE A 14 -4.659 -7.267 -0.722 1.00 62.12 C ATOM 205 CD1 PHE A 14 -4.729 -7.639 0.635 1.00 51.21 C ATOM 206 CD2 PHE A 14 -4.882 -5.919 -1.062 1.00 25.04 C ATOM 207 CE1 PHE A 14 -4.951 -6.683 1.639 1.00 12.22 C ATOM 208 CE2 PHE A 14 -5.147 -4.969 -0.061 1.00 45.53 C ATOM 209 CZ PHE A 14 -5.150 -5.340 1.291 1.00 42.43 C ATOM 0 H PHE A 14 -3.371 -10.592 -1.004 1.00 62.41 H new ATOM 0 HA PHE A 14 -6.042 -9.469 -1.645 1.00 34.21 H new ATOM 0 HB2 PHE A 14 -3.209 -8.448 -1.733 1.00 10.50 H new ATOM 0 HB3 PHE A 14 -4.445 -7.773 -2.776 1.00 10.50 H new ATOM 0 HD1 PHE A 14 -4.610 -8.677 0.908 1.00 51.21 H new ATOM 0 HD2 PHE A 14 -4.849 -5.614 -2.097 1.00 25.04 H new ATOM 0 HE1 PHE A 14 -4.968 -6.982 2.677 1.00 12.22 H new ATOM 0 HE2 PHE A 14 -5.350 -3.944 -0.336 1.00 45.53 H new ATOM 0 HZ PHE A 14 -5.305 -4.596 2.059 1.00 42.43 H new ATOM 219 N THR A 15 -5.783 -10.265 -4.109 1.00 3.53 N ATOM 220 CA THR A 15 -5.629 -10.659 -5.502 1.00 22.00 C ATOM 221 C THR A 15 -4.974 -9.525 -6.305 1.00 14.54 C ATOM 222 O THR A 15 -4.801 -8.415 -5.790 1.00 12.40 O ATOM 223 CB THR A 15 -6.979 -11.110 -6.075 1.00 44.44 C ATOM 224 OG1 THR A 15 -7.983 -10.144 -6.084 1.00 11.30 O ATOM 225 CG2 THR A 15 -7.521 -12.371 -5.409 1.00 21.02 C ATOM 0 H THR A 15 -6.734 -9.992 -3.860 1.00 3.53 H new ATOM 0 HA THR A 15 -4.959 -11.516 -5.575 1.00 22.00 H new ATOM 0 HB THR A 15 -6.725 -11.318 -7.115 1.00 44.44 H new ATOM 0 HG1 THR A 15 -8.800 -10.525 -6.467 1.00 11.30 H new ATOM 0 HG21 THR A 15 -8.477 -12.638 -5.859 1.00 21.02 H new ATOM 0 HG22 THR A 15 -6.814 -13.189 -5.548 1.00 21.02 H new ATOM 0 HG23 THR A 15 -7.659 -12.189 -4.343 1.00 21.02 H new ATOM 233 N SER A 16 -4.606 -9.765 -7.568 1.00 70.12 N ATOM 234 CA SER A 16 -4.003 -8.735 -8.404 1.00 70.05 C ATOM 235 C SER A 16 -4.953 -7.562 -8.622 1.00 1.11 C ATOM 236 O SER A 16 -4.484 -6.425 -8.651 1.00 44.31 O ATOM 237 CB SER A 16 -3.572 -9.295 -9.755 1.00 62.43 C ATOM 238 OG SER A 16 -2.623 -10.336 -9.586 1.00 1.14 O ATOM 0 H SER A 16 -4.718 -10.668 -8.030 1.00 70.12 H new ATOM 0 HA SER A 16 -3.121 -8.378 -7.872 1.00 70.05 H new ATOM 0 HB2 SER A 16 -4.442 -9.673 -10.292 1.00 62.43 H new ATOM 0 HB3 SER A 16 -3.142 -8.500 -10.364 1.00 62.43 H new ATOM 0 HG SER A 16 -2.360 -10.684 -10.463 1.00 1.14 H new ATOM 244 N GLU A 17 -6.265 -7.805 -8.694 1.00 33.30 N ATOM 245 CA GLU A 17 -7.254 -6.741 -8.835 1.00 64.33 C ATOM 246 C GLU A 17 -7.157 -5.755 -7.670 1.00 53.53 C ATOM 247 O GLU A 17 -7.330 -4.546 -7.830 1.00 22.22 O ATOM 248 CB GLU A 17 -8.672 -7.322 -8.798 1.00 12.30 C ATOM 249 CG GLU A 17 -9.018 -8.424 -9.799 1.00 34.00 C ATOM 250 CD GLU A 17 -9.130 -9.740 -9.042 1.00 42.35 C ATOM 251 OE1 GLU A 17 -10.214 -10.035 -8.477 1.00 25.44 O ATOM 252 OE2 GLU A 17 -8.066 -10.354 -8.824 1.00 50.14 O ATOM 0 H GLU A 17 -6.667 -8.742 -8.656 1.00 33.30 H new ATOM 0 HA GLU A 17 -7.056 -6.243 -9.784 1.00 64.33 H new ATOM 0 HB2 GLU A 17 -8.847 -7.713 -7.796 1.00 12.30 H new ATOM 0 HB3 GLU A 17 -9.374 -6.502 -8.947 1.00 12.30 H new ATOM 0 HG2 GLU A 17 -9.956 -8.196 -10.305 1.00 34.00 H new ATOM 0 HG3 GLU A 17 -8.249 -8.493 -10.569 1.00 34.00 H new ATOM 259 N GLN A 18 -6.934 -6.293 -6.473 1.00 23.20 N ATOM 260 CA GLN A 18 -6.914 -5.547 -5.230 1.00 25.33 C ATOM 261 C GLN A 18 -5.581 -4.816 -5.107 1.00 50.45 C ATOM 262 O GLN A 18 -5.521 -3.696 -4.609 1.00 30.33 O ATOM 263 CB GLN A 18 -7.200 -6.494 -4.045 1.00 51.23 C ATOM 264 CG GLN A 18 -8.450 -7.360 -4.294 1.00 31.34 C ATOM 265 CD GLN A 18 -8.795 -8.286 -3.126 1.00 65.35 C ATOM 266 OE1 GLN A 18 -8.157 -9.313 -2.917 1.00 3.20 O ATOM 267 NE2 GLN A 18 -9.812 -7.993 -2.345 1.00 5.33 N ATOM 0 H GLN A 18 -6.758 -7.289 -6.344 1.00 23.20 H new ATOM 0 HA GLN A 18 -7.700 -4.792 -5.219 1.00 25.33 H new ATOM 0 HB2 GLN A 18 -6.338 -7.140 -3.879 1.00 51.23 H new ATOM 0 HB3 GLN A 18 -7.339 -5.908 -3.137 1.00 51.23 H new ATOM 0 HG2 GLN A 18 -9.300 -6.708 -4.493 1.00 31.34 H new ATOM 0 HG3 GLN A 18 -8.293 -7.961 -5.190 1.00 31.34 H new ATOM 0 HE21 GLN A 18 -10.351 -7.142 -2.507 1.00 5.33 H new ATOM 0 HE22 GLN A 18 -10.061 -8.616 -1.577 1.00 5.33 H new ATOM 276 N LEU A 19 -4.509 -5.419 -5.621 1.00 71.32 N ATOM 277 CA LEU A 19 -3.186 -4.816 -5.667 1.00 23.13 C ATOM 278 C LEU A 19 -3.052 -3.751 -6.760 1.00 62.12 C ATOM 279 O LEU A 19 -2.012 -3.098 -6.843 1.00 32.42 O ATOM 280 CB LEU A 19 -2.167 -5.933 -5.924 1.00 72.33 C ATOM 281 CG LEU A 19 -1.967 -6.899 -4.743 1.00 52.21 C ATOM 282 CD1 LEU A 19 -1.079 -8.059 -5.196 1.00 25.10 C ATOM 283 CD2 LEU A 19 -1.333 -6.216 -3.527 1.00 51.32 C ATOM 0 H LEU A 19 -4.541 -6.356 -6.023 1.00 71.32 H new ATOM 0 HA LEU A 19 -3.009 -4.315 -4.715 1.00 23.13 H new ATOM 0 HB2 LEU A 19 -2.486 -6.505 -6.795 1.00 72.33 H new ATOM 0 HB3 LEU A 19 -1.207 -5.481 -6.174 1.00 72.33 H new ATOM 0 HG LEU A 19 -2.950 -7.257 -4.436 1.00 52.21 H new ATOM 0 HD11 LEU A 19 -0.931 -8.750 -4.366 1.00 25.10 H new ATOM 0 HD12 LEU A 19 -1.559 -8.583 -6.023 1.00 25.10 H new ATOM 0 HD13 LEU A 19 -0.114 -7.672 -5.523 1.00 25.10 H new ATOM 0 HD21 LEU A 19 -1.214 -6.942 -2.723 1.00 51.32 H new ATOM 0 HD22 LEU A 19 -0.357 -5.816 -3.802 1.00 51.32 H new ATOM 0 HD23 LEU A 19 -1.976 -5.403 -3.190 1.00 51.32 H new ATOM 295 N LEU A 20 -4.026 -3.639 -7.664 1.00 71.02 N ATOM 296 CA LEU A 20 -3.962 -2.748 -8.818 1.00 50.22 C ATOM 297 C LEU A 20 -4.174 -1.320 -8.329 1.00 51.25 C ATOM 298 O LEU A 20 -3.343 -0.433 -8.526 1.00 74.13 O ATOM 299 CB LEU A 20 -5.045 -3.158 -9.842 1.00 24.20 C ATOM 300 CG LEU A 20 -4.689 -2.906 -11.317 1.00 53.12 C ATOM 301 CD1 LEU A 20 -4.263 -1.464 -11.614 1.00 14.30 C ATOM 302 CD2 LEU A 20 -3.623 -3.900 -11.793 1.00 63.31 C ATOM 0 H LEU A 20 -4.893 -4.173 -7.612 1.00 71.02 H new ATOM 0 HA LEU A 20 -2.992 -2.815 -9.311 1.00 50.22 H new ATOM 0 HB2 LEU A 20 -5.259 -4.219 -9.714 1.00 24.20 H new ATOM 0 HB3 LEU A 20 -5.963 -2.618 -9.610 1.00 24.20 H new ATOM 0 HG LEU A 20 -5.608 -3.066 -11.881 1.00 53.12 H new ATOM 0 HD11 LEU A 20 -4.028 -1.365 -12.674 1.00 14.30 H new ATOM 0 HD12 LEU A 20 -5.076 -0.784 -11.357 1.00 14.30 H new ATOM 0 HD13 LEU A 20 -3.382 -1.216 -11.022 1.00 14.30 H new ATOM 0 HD21 LEU A 20 -3.385 -3.705 -12.839 1.00 63.31 H new ATOM 0 HD22 LEU A 20 -2.723 -3.786 -11.189 1.00 63.31 H new ATOM 0 HD23 LEU A 20 -4.002 -4.917 -11.691 1.00 63.31 H new ATOM 314 N GLU A 21 -5.305 -1.134 -7.656 1.00 34.10 N ATOM 315 CA GLU A 21 -5.811 0.134 -7.168 1.00 45.14 C ATOM 316 C GLU A 21 -4.792 0.758 -6.215 1.00 43.35 C ATOM 317 O GLU A 21 -4.395 1.910 -6.372 1.00 43.51 O ATOM 318 CB GLU A 21 -7.168 -0.129 -6.495 1.00 64.42 C ATOM 319 CG GLU A 21 -8.216 -0.706 -7.459 1.00 41.22 C ATOM 320 CD GLU A 21 -8.638 0.331 -8.501 1.00 32.31 C ATOM 321 OE1 GLU A 21 -9.509 1.170 -8.169 1.00 70.21 O ATOM 322 OE2 GLU A 21 -8.093 0.319 -9.629 1.00 74.43 O ATOM 0 H GLU A 21 -5.924 -1.911 -7.426 1.00 34.10 H new ATOM 0 HA GLU A 21 -5.960 0.847 -7.979 1.00 45.14 H new ATOM 0 HB2 GLU A 21 -7.027 -0.821 -5.664 1.00 64.42 H new ATOM 0 HB3 GLU A 21 -7.545 0.803 -6.073 1.00 64.42 H new ATOM 0 HG2 GLU A 21 -7.809 -1.584 -7.960 1.00 41.22 H new ATOM 0 HG3 GLU A 21 -9.089 -1.036 -6.896 1.00 41.22 H new ATOM 329 N LEU A 22 -4.296 -0.061 -5.293 1.00 5.42 N ATOM 330 CA LEU A 22 -3.319 0.302 -4.273 1.00 44.34 C ATOM 331 C LEU A 22 -2.055 0.912 -4.859 1.00 73.01 C ATOM 332 O LEU A 22 -1.490 1.840 -4.278 1.00 10.51 O ATOM 333 CB LEU A 22 -2.932 -0.983 -3.528 1.00 25.02 C ATOM 334 CG LEU A 22 -3.706 -1.237 -2.232 1.00 42.23 C ATOM 335 CD1 LEU A 22 -5.209 -0.968 -2.343 1.00 54.42 C ATOM 336 CD2 LEU A 22 -3.488 -2.693 -1.833 1.00 5.52 C ATOM 0 H LEU A 22 -4.577 -1.040 -5.234 1.00 5.42 H new ATOM 0 HA LEU A 22 -3.770 1.049 -3.619 1.00 44.34 H new ATOM 0 HB2 LEU A 22 -3.082 -1.831 -4.196 1.00 25.02 H new ATOM 0 HB3 LEU A 22 -1.868 -0.944 -3.296 1.00 25.02 H new ATOM 0 HG LEU A 22 -3.327 -0.540 -1.484 1.00 42.23 H new ATOM 0 HD11 LEU A 22 -5.687 -1.171 -1.384 1.00 54.42 H new ATOM 0 HD12 LEU A 22 -5.373 0.074 -2.617 1.00 54.42 H new ATOM 0 HD13 LEU A 22 -5.639 -1.616 -3.107 1.00 54.42 H new ATOM 0 HD21 LEU A 22 -4.029 -2.902 -0.910 1.00 5.52 H new ATOM 0 HD22 LEU A 22 -3.854 -3.346 -2.625 1.00 5.52 H new ATOM 0 HD23 LEU A 22 -2.424 -2.872 -1.678 1.00 5.52 H new ATOM 348 N ARG A 23 -1.577 0.381 -5.987 1.00 33.03 N ATOM 349 CA ARG A 23 -0.310 0.808 -6.532 1.00 65.15 C ATOM 350 C ARG A 23 -0.502 2.190 -7.116 1.00 73.05 C ATOM 351 O ARG A 23 0.389 3.025 -6.955 1.00 13.22 O ATOM 352 CB ARG A 23 0.154 -0.146 -7.635 1.00 70.11 C ATOM 353 CG ARG A 23 0.895 -1.401 -7.141 1.00 63.12 C ATOM 354 CD ARG A 23 1.282 -2.309 -8.322 1.00 63.05 C ATOM 355 NE ARG A 23 1.982 -1.526 -9.352 1.00 30.10 N ATOM 356 CZ ARG A 23 3.244 -1.637 -9.762 1.00 1.21 C ATOM 357 NH1 ARG A 23 3.924 -2.767 -9.657 1.00 5.33 N ATOM 358 NH2 ARG A 23 3.842 -0.574 -10.272 1.00 34.43 N ATOM 0 H ARG A 23 -2.053 -0.340 -6.529 1.00 33.03 H new ATOM 0 HA ARG A 23 0.445 0.814 -5.746 1.00 65.15 H new ATOM 0 HB2 ARG A 23 -0.716 -0.460 -8.213 1.00 70.11 H new ATOM 0 HB3 ARG A 23 0.808 0.400 -8.315 1.00 70.11 H new ATOM 0 HG2 ARG A 23 1.791 -1.108 -6.593 1.00 63.12 H new ATOM 0 HG3 ARG A 23 0.262 -1.952 -6.445 1.00 63.12 H new ATOM 0 HD2 ARG A 23 1.921 -3.120 -7.973 1.00 63.05 H new ATOM 0 HD3 ARG A 23 0.389 -2.767 -8.747 1.00 63.05 H new ATOM 0 HE ARG A 23 1.428 -0.804 -9.812 1.00 30.10 H new ATOM 0 HH11 ARG A 23 3.483 -3.592 -9.251 1.00 5.33 H new ATOM 0 HH12 ARG A 23 4.890 -2.813 -9.982 1.00 5.33 H new ATOM 0 HH21 ARG A 23 3.337 0.309 -10.345 1.00 34.43 H new ATOM 0 HH22 ARG A 23 4.808 -0.637 -10.592 1.00 34.43 H new ATOM 372 N LYS A 24 -1.626 2.442 -7.800 1.00 12.50 N ATOM 373 CA LYS A 24 -1.822 3.765 -8.371 1.00 14.53 C ATOM 374 C LYS A 24 -2.036 4.784 -7.253 1.00 14.34 C ATOM 375 O LYS A 24 -1.576 5.924 -7.365 1.00 11.54 O ATOM 376 CB LYS A 24 -2.907 3.807 -9.467 1.00 30.04 C ATOM 377 CG LYS A 24 -4.302 3.390 -8.991 1.00 3.52 C ATOM 378 CD LYS A 24 -5.407 3.627 -10.021 1.00 62.35 C ATOM 379 CE LYS A 24 -6.780 3.315 -9.410 1.00 1.22 C ATOM 380 NZ LYS A 24 -7.197 4.303 -8.389 1.00 10.50 N ATOM 0 H LYS A 24 -2.380 1.774 -7.963 1.00 12.50 H new ATOM 0 HA LYS A 24 -0.912 4.042 -8.903 1.00 14.53 H new ATOM 0 HB2 LYS A 24 -2.961 4.818 -9.870 1.00 30.04 H new ATOM 0 HB3 LYS A 24 -2.605 3.154 -10.286 1.00 30.04 H new ATOM 0 HG2 LYS A 24 -4.284 2.332 -8.729 1.00 3.52 H new ATOM 0 HG3 LYS A 24 -4.544 3.939 -8.081 1.00 3.52 H new ATOM 0 HD2 LYS A 24 -5.380 4.662 -10.362 1.00 62.35 H new ATOM 0 HD3 LYS A 24 -5.239 2.999 -10.896 1.00 62.35 H new ATOM 0 HE2 LYS A 24 -7.526 3.284 -10.204 1.00 1.22 H new ATOM 0 HE3 LYS A 24 -6.754 2.323 -8.959 1.00 1.22 H new ATOM 0 HZ1 LYS A 24 -8.188 4.131 -8.123 1.00 10.50 H new ATOM 0 HZ2 LYS A 24 -6.592 4.210 -7.548 1.00 10.50 H new ATOM 0 HZ3 LYS A 24 -7.105 5.263 -8.777 1.00 10.50 H new ATOM 394 N GLU A 25 -2.723 4.380 -6.181 1.00 5.43 N ATOM 395 CA GLU A 25 -3.092 5.255 -5.080 1.00 72.43 C ATOM 396 C GLU A 25 -1.881 5.735 -4.285 1.00 1.24 C ATOM 397 O GLU A 25 -1.918 6.845 -3.746 1.00 10.53 O ATOM 398 CB GLU A 25 -4.077 4.528 -4.150 1.00 61.14 C ATOM 399 CG GLU A 25 -5.249 5.428 -3.748 1.00 21.42 C ATOM 400 CD GLU A 25 -6.057 5.934 -4.953 1.00 10.44 C ATOM 401 OE1 GLU A 25 -6.272 5.188 -5.937 1.00 21.31 O ATOM 402 OE2 GLU A 25 -6.428 7.127 -4.950 1.00 2.52 O ATOM 0 H GLU A 25 -3.041 3.419 -6.058 1.00 5.43 H new ATOM 0 HA GLU A 25 -3.565 6.139 -5.509 1.00 72.43 H new ATOM 0 HB2 GLU A 25 -4.458 3.637 -4.649 1.00 61.14 H new ATOM 0 HB3 GLU A 25 -3.552 4.193 -3.255 1.00 61.14 H new ATOM 0 HG2 GLU A 25 -5.910 4.877 -3.079 1.00 21.42 H new ATOM 0 HG3 GLU A 25 -4.869 6.282 -3.188 1.00 21.42 H new ATOM 409 N PHE A 26 -0.807 4.936 -4.248 1.00 14.20 N ATOM 410 CA PHE A 26 0.423 5.231 -3.520 1.00 12.52 C ATOM 411 C PHE A 26 1.042 6.570 -3.939 1.00 31.00 C ATOM 412 O PHE A 26 1.748 7.190 -3.139 1.00 62.04 O ATOM 413 CB PHE A 26 1.423 4.085 -3.733 1.00 32.10 C ATOM 414 CG PHE A 26 2.591 4.083 -2.762 1.00 41.54 C ATOM 415 CD1 PHE A 26 2.408 3.624 -1.443 1.00 43.42 C ATOM 416 CD2 PHE A 26 3.867 4.513 -3.178 1.00 61.23 C ATOM 417 CE1 PHE A 26 3.497 3.588 -0.553 1.00 34.43 C ATOM 418 CE2 PHE A 26 4.957 4.464 -2.291 1.00 30.00 C ATOM 419 CZ PHE A 26 4.773 3.997 -0.980 1.00 32.21 C ATOM 0 H PHE A 26 -0.774 4.043 -4.739 1.00 14.20 H new ATOM 0 HA PHE A 26 0.177 5.318 -2.462 1.00 12.52 H new ATOM 0 HB2 PHE A 26 0.893 3.136 -3.647 1.00 32.10 H new ATOM 0 HB3 PHE A 26 1.812 4.142 -4.750 1.00 32.10 H new ATOM 0 HD1 PHE A 26 1.432 3.300 -1.115 1.00 43.42 H new ATOM 0 HD2 PHE A 26 4.008 4.882 -4.183 1.00 61.23 H new ATOM 0 HE1 PHE A 26 3.353 3.245 0.461 1.00 34.43 H new ATOM 0 HE2 PHE A 26 5.935 4.785 -2.618 1.00 30.00 H new ATOM 0 HZ PHE A 26 5.611 3.952 -0.300 1.00 32.21 H new ATOM 429 N HIS A 27 0.750 7.048 -5.153 1.00 43.12 N ATOM 430 CA HIS A 27 1.241 8.312 -5.689 1.00 43.34 C ATOM 431 C HIS A 27 0.081 9.286 -5.961 1.00 5.20 C ATOM 432 O HIS A 27 0.177 10.151 -6.832 1.00 23.44 O ATOM 433 CB HIS A 27 2.147 8.038 -6.901 1.00 44.15 C ATOM 434 CG HIS A 27 3.167 9.128 -7.118 1.00 22.34 C ATOM 435 ND1 HIS A 27 2.879 10.448 -7.356 1.00 43.45 N ATOM 436 CD2 HIS A 27 4.523 9.016 -6.968 1.00 5.20 C ATOM 437 CE1 HIS A 27 4.029 11.133 -7.311 1.00 70.03 C ATOM 438 NE2 HIS A 27 5.068 10.303 -7.114 1.00 45.42 N ATOM 0 H HIS A 27 0.147 6.547 -5.806 1.00 43.12 H new ATOM 0 HA HIS A 27 1.861 8.821 -4.951 1.00 43.34 H new ATOM 0 HB2 HIS A 27 2.661 7.087 -6.759 1.00 44.15 H new ATOM 0 HB3 HIS A 27 1.532 7.937 -7.795 1.00 44.15 H new ATOM 0 HD1 HIS A 27 1.954 10.838 -7.535 1.00 43.45 H new ATOM 0 HD2 HIS A 27 5.072 8.107 -6.773 1.00 5.20 H new ATOM 0 HE1 HIS A 27 4.110 12.205 -7.418 1.00 70.03 H new ATOM 446 N CYS A 28 -1.032 9.158 -5.229 1.00 65.43 N ATOM 447 CA CYS A 28 -2.160 10.079 -5.309 1.00 51.15 C ATOM 448 C CYS A 28 -2.296 10.843 -3.986 1.00 34.34 C ATOM 449 O CYS A 28 -1.715 11.918 -3.805 1.00 13.41 O ATOM 450 CB CYS A 28 -3.431 9.297 -5.689 1.00 44.15 C ATOM 451 SG CYS A 28 -3.245 8.568 -7.340 1.00 1.42 S ATOM 0 H CYS A 28 -1.171 8.402 -4.559 1.00 65.43 H new ATOM 0 HA CYS A 28 -1.997 10.824 -6.088 1.00 51.15 H new ATOM 0 HB2 CYS A 28 -3.617 8.513 -4.956 1.00 44.15 H new ATOM 0 HB3 CYS A 28 -4.295 9.961 -5.672 1.00 44.15 H new ATOM 0 HG CYS A 28 -2.557 7.468 -7.254 1.00 1.42 H new ATOM 457 N LYS A 29 -2.998 10.266 -3.011 1.00 22.22 N ATOM 458 CA LYS A 29 -3.112 10.835 -1.672 1.00 54.24 C ATOM 459 C LYS A 29 -1.869 10.462 -0.882 1.00 70.24 C ATOM 460 O LYS A 29 -1.412 9.320 -0.941 1.00 45.25 O ATOM 461 CB LYS A 29 -4.410 10.391 -0.976 1.00 42.41 C ATOM 462 CG LYS A 29 -4.820 8.911 -1.138 1.00 50.15 C ATOM 463 CD LYS A 29 -6.236 8.744 -1.722 1.00 30.42 C ATOM 464 CE LYS A 29 -6.406 9.485 -3.055 1.00 65.35 C ATOM 465 NZ LYS A 29 -7.687 9.201 -3.723 1.00 2.44 N ATOM 0 H LYS A 29 -3.504 9.389 -3.130 1.00 22.22 H new ATOM 0 HA LYS A 29 -3.174 11.921 -1.737 1.00 54.24 H new ATOM 0 HB2 LYS A 29 -4.312 10.601 0.089 1.00 42.41 H new ATOM 0 HB3 LYS A 29 -5.225 11.011 -1.350 1.00 42.41 H new ATOM 0 HG2 LYS A 29 -4.103 8.409 -1.787 1.00 50.15 H new ATOM 0 HG3 LYS A 29 -4.772 8.417 -0.168 1.00 50.15 H new ATOM 0 HD2 LYS A 29 -6.444 7.684 -1.869 1.00 30.42 H new ATOM 0 HD3 LYS A 29 -6.969 9.116 -1.006 1.00 30.42 H new ATOM 0 HE2 LYS A 29 -6.327 10.558 -2.878 1.00 65.35 H new ATOM 0 HE3 LYS A 29 -5.588 9.210 -3.722 1.00 65.35 H new ATOM 0 HZ1 LYS A 29 -7.970 10.022 -4.295 1.00 2.44 H new ATOM 0 HZ2 LYS A 29 -7.580 8.370 -4.339 1.00 2.44 H new ATOM 0 HZ3 LYS A 29 -8.417 9.010 -3.007 1.00 2.44 H new ATOM 479 N LYS A 30 -1.314 11.417 -0.134 1.00 72.34 N ATOM 480 CA LYS A 30 -0.183 11.159 0.758 1.00 25.40 C ATOM 481 C LYS A 30 -0.553 10.165 1.859 1.00 43.14 C ATOM 482 O LYS A 30 0.296 9.361 2.243 1.00 71.13 O ATOM 483 CB LYS A 30 0.393 12.462 1.333 1.00 5.20 C ATOM 484 CG LYS A 30 -0.676 13.432 1.853 1.00 65.34 C ATOM 485 CD LYS A 30 -0.043 14.535 2.717 1.00 71.21 C ATOM 486 CE LYS A 30 0.816 15.497 1.880 1.00 51.41 C ATOM 487 NZ LYS A 30 2.183 15.685 2.408 1.00 25.11 N ATOM 0 H LYS A 30 -1.634 12.386 -0.129 1.00 72.34 H new ATOM 0 HA LYS A 30 0.604 10.699 0.161 1.00 25.40 H new ATOM 0 HB2 LYS A 30 1.077 12.219 2.146 1.00 5.20 H new ATOM 0 HB3 LYS A 30 0.980 12.961 0.562 1.00 5.20 H new ATOM 0 HG2 LYS A 30 -1.205 13.882 1.012 1.00 65.34 H new ATOM 0 HG3 LYS A 30 -1.415 12.885 2.439 1.00 65.34 H new ATOM 0 HD2 LYS A 30 -0.829 15.096 3.222 1.00 71.21 H new ATOM 0 HD3 LYS A 30 0.573 14.080 3.493 1.00 71.21 H new ATOM 0 HE2 LYS A 30 0.879 15.119 0.859 1.00 51.41 H new ATOM 0 HE3 LYS A 30 0.318 16.466 1.831 1.00 51.41 H new ATOM 0 HZ1 LYS A 30 2.704 16.344 1.795 1.00 25.11 H new ATOM 0 HZ2 LYS A 30 2.133 16.074 3.371 1.00 25.11 H new ATOM 0 HZ3 LYS A 30 2.676 14.769 2.429 1.00 25.11 H new ATOM 501 N TYR A 31 -1.794 10.182 2.349 1.00 45.21 N ATOM 502 CA TYR A 31 -2.344 9.158 3.222 1.00 62.35 C ATOM 503 C TYR A 31 -3.832 9.027 2.914 1.00 62.14 C ATOM 504 O TYR A 31 -4.456 9.981 2.453 1.00 43.55 O ATOM 505 CB TYR A 31 -2.115 9.496 4.707 1.00 4.51 C ATOM 506 CG TYR A 31 -2.689 10.832 5.148 1.00 33.44 C ATOM 507 CD1 TYR A 31 -1.945 12.002 4.933 1.00 30.32 C ATOM 508 CD2 TYR A 31 -3.968 10.921 5.732 1.00 41.54 C ATOM 509 CE1 TYR A 31 -2.476 13.259 5.254 1.00 1.22 C ATOM 510 CE2 TYR A 31 -4.510 12.177 6.060 1.00 11.44 C ATOM 511 CZ TYR A 31 -3.772 13.354 5.803 1.00 13.52 C ATOM 512 OH TYR A 31 -4.290 14.581 6.086 1.00 21.33 O ATOM 0 H TYR A 31 -2.456 10.929 2.141 1.00 45.21 H new ATOM 0 HA TYR A 31 -1.837 8.211 3.039 1.00 62.35 H new ATOM 0 HB2 TYR A 31 -2.555 8.707 5.317 1.00 4.51 H new ATOM 0 HB3 TYR A 31 -1.043 9.493 4.906 1.00 4.51 H new ATOM 0 HD1 TYR A 31 -0.951 11.933 4.515 1.00 30.32 H new ATOM 0 HD2 TYR A 31 -4.534 10.022 5.928 1.00 41.54 H new ATOM 0 HE1 TYR A 31 -1.894 14.152 5.081 1.00 1.22 H new ATOM 0 HE2 TYR A 31 -5.490 12.242 6.508 1.00 11.44 H new ATOM 0 HH TYR A 31 -5.191 14.478 6.457 1.00 21.33 H new ATOM 522 N LEU A 32 -4.422 7.864 3.198 1.00 50.52 N ATOM 523 CA LEU A 32 -5.874 7.716 3.185 1.00 25.03 C ATOM 524 C LEU A 32 -6.400 8.400 4.446 1.00 43.34 C ATOM 525 O LEU A 32 -6.059 7.951 5.544 1.00 71.21 O ATOM 526 CB LEU A 32 -6.296 6.229 3.189 1.00 11.31 C ATOM 527 CG LEU A 32 -5.849 5.400 1.972 1.00 62.14 C ATOM 528 CD1 LEU A 32 -6.248 3.933 2.141 1.00 63.43 C ATOM 529 CD2 LEU A 32 -6.475 5.863 0.657 1.00 5.43 C ATOM 0 H LEU A 32 -3.915 7.013 3.439 1.00 50.52 H new ATOM 0 HA LEU A 32 -6.283 8.163 2.279 1.00 25.03 H new ATOM 0 HB2 LEU A 32 -5.898 5.761 4.089 1.00 11.31 H new ATOM 0 HB3 LEU A 32 -7.383 6.180 3.258 1.00 11.31 H new ATOM 0 HG LEU A 32 -4.768 5.532 1.926 1.00 62.14 H new ATOM 0 HD11 LEU A 32 -5.923 3.365 1.270 1.00 63.43 H new ATOM 0 HD12 LEU A 32 -5.775 3.528 3.036 1.00 63.43 H new ATOM 0 HD13 LEU A 32 -7.331 3.859 2.238 1.00 63.43 H new ATOM 0 HD21 LEU A 32 -6.116 5.235 -0.158 1.00 5.43 H new ATOM 0 HD22 LEU A 32 -7.560 5.786 0.724 1.00 5.43 H new ATOM 0 HD23 LEU A 32 -6.196 6.899 0.466 1.00 5.43 H new ATOM 541 N SER A 33 -7.227 9.441 4.320 1.00 31.32 N ATOM 542 CA SER A 33 -8.119 9.866 5.404 1.00 62.45 C ATOM 543 C SER A 33 -9.240 8.817 5.593 1.00 41.55 C ATOM 544 O SER A 33 -9.161 7.713 5.044 1.00 2.43 O ATOM 545 CB SER A 33 -8.645 11.282 5.138 1.00 74.12 C ATOM 546 OG SER A 33 -7.574 12.182 4.946 1.00 1.22 O ATOM 0 H SER A 33 -7.298 10.008 3.475 1.00 31.32 H new ATOM 0 HA SER A 33 -7.572 9.919 6.345 1.00 62.45 H new ATOM 0 HB2 SER A 33 -9.286 11.278 4.257 1.00 74.12 H new ATOM 0 HB3 SER A 33 -9.258 11.612 5.977 1.00 74.12 H new ATOM 0 HG SER A 33 -6.755 11.803 5.329 1.00 1.22 H new ATOM 552 N LEU A 34 -10.253 9.081 6.428 1.00 51.22 N ATOM 553 CA LEU A 34 -11.301 8.102 6.722 1.00 51.21 C ATOM 554 C LEU A 34 -12.121 7.771 5.478 1.00 61.14 C ATOM 555 O LEU A 34 -12.290 6.591 5.176 1.00 54.12 O ATOM 556 CB LEU A 34 -12.217 8.572 7.851 1.00 71.45 C ATOM 557 CG LEU A 34 -11.633 8.260 9.239 1.00 23.34 C ATOM 558 CD1 LEU A 34 -10.820 9.435 9.774 1.00 63.34 C ATOM 559 CD2 LEU A 34 -12.773 7.914 10.190 1.00 54.23 C ATOM 0 H LEU A 34 -10.367 9.971 6.913 1.00 51.22 H new ATOM 0 HA LEU A 34 -10.798 7.194 7.053 1.00 51.21 H new ATOM 0 HB2 LEU A 34 -12.381 9.646 7.761 1.00 71.45 H new ATOM 0 HB3 LEU A 34 -13.190 8.091 7.751 1.00 71.45 H new ATOM 0 HG LEU A 34 -10.955 7.410 9.157 1.00 23.34 H new ATOM 0 HD11 LEU A 34 -10.420 9.184 10.757 1.00 63.34 H new ATOM 0 HD12 LEU A 34 -9.997 9.649 9.092 1.00 63.34 H new ATOM 0 HD13 LEU A 34 -11.461 10.313 9.857 1.00 63.34 H new ATOM 0 HD21 LEU A 34 -12.368 7.691 11.177 1.00 54.23 H new ATOM 0 HD22 LEU A 34 -13.457 8.760 10.261 1.00 54.23 H new ATOM 0 HD23 LEU A 34 -13.310 7.043 9.813 1.00 54.23 H new ATOM 571 N THR A 35 -12.603 8.782 4.749 1.00 52.53 N ATOM 572 CA THR A 35 -13.450 8.563 3.581 1.00 45.35 C ATOM 573 C THR A 35 -12.682 7.718 2.569 1.00 1.20 C ATOM 574 O THR A 35 -13.183 6.711 2.081 1.00 11.31 O ATOM 575 CB THR A 35 -13.894 9.919 2.999 1.00 61.44 C ATOM 576 OG1 THR A 35 -14.584 10.667 3.994 1.00 44.41 O ATOM 577 CG2 THR A 35 -14.796 9.748 1.773 1.00 61.01 C ATOM 0 H THR A 35 -12.418 9.764 4.952 1.00 52.53 H new ATOM 0 HA THR A 35 -14.355 8.021 3.855 1.00 45.35 H new ATOM 0 HB THR A 35 -12.997 10.451 2.683 1.00 61.44 H new ATOM 0 HG1 THR A 35 -14.863 11.529 3.620 1.00 44.41 H new ATOM 0 HG21 THR A 35 -15.086 10.728 1.395 1.00 61.01 H new ATOM 0 HG22 THR A 35 -14.256 9.205 0.997 1.00 61.01 H new ATOM 0 HG23 THR A 35 -15.689 9.189 2.053 1.00 61.01 H new ATOM 585 N GLU A 36 -11.448 8.114 2.289 1.00 43.13 N ATOM 586 CA GLU A 36 -10.523 7.486 1.367 1.00 10.52 C ATOM 587 C GLU A 36 -10.341 6.018 1.751 1.00 25.31 C ATOM 588 O GLU A 36 -10.425 5.137 0.900 1.00 31.22 O ATOM 589 CB GLU A 36 -9.174 8.222 1.426 1.00 1.31 C ATOM 590 CG GLU A 36 -9.093 9.715 1.063 1.00 71.44 C ATOM 591 CD GLU A 36 -10.366 10.508 1.289 1.00 2.44 C ATOM 592 OE1 GLU A 36 -10.658 10.806 2.467 1.00 2.33 O ATOM 593 OE2 GLU A 36 -11.113 10.747 0.315 1.00 64.31 O ATOM 0 H GLU A 36 -11.043 8.939 2.732 1.00 43.13 H new ATOM 0 HA GLU A 36 -10.916 7.539 0.352 1.00 10.52 H new ATOM 0 HB2 GLU A 36 -8.791 8.114 2.441 1.00 1.31 H new ATOM 0 HB3 GLU A 36 -8.487 7.691 0.768 1.00 1.31 H new ATOM 0 HG2 GLU A 36 -8.293 10.171 1.646 1.00 71.44 H new ATOM 0 HG3 GLU A 36 -8.812 9.802 0.013 1.00 71.44 H new ATOM 600 N ARG A 37 -10.114 5.742 3.039 1.00 31.11 N ATOM 601 CA ARG A 37 -9.923 4.392 3.538 1.00 62.01 C ATOM 602 C ARG A 37 -11.192 3.562 3.394 1.00 1.12 C ATOM 603 O ARG A 37 -11.085 2.383 3.078 1.00 23.32 O ATOM 604 CB ARG A 37 -9.430 4.464 4.986 1.00 2.30 C ATOM 605 CG ARG A 37 -8.815 3.138 5.431 1.00 1.44 C ATOM 606 CD ARG A 37 -8.250 3.222 6.856 1.00 64.25 C ATOM 607 NE ARG A 37 -9.272 3.580 7.859 1.00 74.31 N ATOM 608 CZ ARG A 37 -9.071 4.180 9.037 1.00 33.14 C ATOM 609 NH1 ARG A 37 -7.905 4.734 9.344 1.00 73.34 N ATOM 610 NH2 ARG A 37 -10.075 4.213 9.902 1.00 22.00 N ATOM 0 H ARG A 37 -10.059 6.459 3.763 1.00 31.11 H new ATOM 0 HA ARG A 37 -9.166 3.883 2.941 1.00 62.01 H new ATOM 0 HB2 ARG A 37 -8.691 5.260 5.082 1.00 2.30 H new ATOM 0 HB3 ARG A 37 -10.261 4.720 5.643 1.00 2.30 H new ATOM 0 HG2 ARG A 37 -9.570 2.353 5.385 1.00 1.44 H new ATOM 0 HG3 ARG A 37 -8.020 2.856 4.741 1.00 1.44 H new ATOM 0 HD2 ARG A 37 -7.807 2.263 7.123 1.00 64.25 H new ATOM 0 HD3 ARG A 37 -7.449 3.961 6.881 1.00 64.25 H new ATOM 0 HE ARG A 37 -10.237 3.344 7.628 1.00 74.31 H new ATOM 0 HH11 ARG A 37 -7.136 4.708 8.674 1.00 73.34 H new ATOM 0 HH12 ARG A 37 -7.778 5.186 10.250 1.00 73.34 H new ATOM 0 HH21 ARG A 37 -10.970 3.788 9.661 1.00 22.00 H new ATOM 0 HH22 ARG A 37 -9.952 4.664 10.809 1.00 22.00 H new ATOM 624 N SER A 38 -12.371 4.146 3.610 1.00 71.13 N ATOM 625 CA SER A 38 -13.632 3.477 3.334 1.00 34.24 C ATOM 626 C SER A 38 -13.713 3.148 1.838 1.00 32.22 C ATOM 627 O SER A 38 -14.037 2.013 1.495 1.00 64.21 O ATOM 628 CB SER A 38 -14.803 4.338 3.838 1.00 70.11 C ATOM 629 OG SER A 38 -16.052 3.722 3.571 1.00 50.25 O ATOM 0 H SER A 38 -12.473 5.091 3.979 1.00 71.13 H new ATOM 0 HA SER A 38 -13.695 2.531 3.872 1.00 34.24 H new ATOM 0 HB2 SER A 38 -14.699 4.504 4.910 1.00 70.11 H new ATOM 0 HB3 SER A 38 -14.769 5.317 3.360 1.00 70.11 H new ATOM 0 HG SER A 38 -16.776 4.292 3.904 1.00 50.25 H new ATOM 635 N GLN A 39 -13.405 4.103 0.949 1.00 52.22 N ATOM 636 CA GLN A 39 -13.502 3.928 -0.497 1.00 14.24 C ATOM 637 C GLN A 39 -12.628 2.764 -0.945 1.00 43.34 C ATOM 638 O GLN A 39 -13.148 1.778 -1.453 1.00 61.21 O ATOM 639 CB GLN A 39 -13.103 5.211 -1.248 1.00 65.33 C ATOM 640 CG GLN A 39 -14.100 6.366 -1.122 1.00 50.15 C ATOM 641 CD GLN A 39 -13.604 7.579 -1.906 1.00 1.43 C ATOM 642 OE1 GLN A 39 -13.728 7.609 -3.129 1.00 5.43 O ATOM 643 NE2 GLN A 39 -12.993 8.558 -1.251 1.00 70.45 N ATOM 0 H GLN A 39 -13.078 5.029 1.224 1.00 52.22 H new ATOM 0 HA GLN A 39 -14.542 3.709 -0.738 1.00 14.24 H new ATOM 0 HB2 GLN A 39 -12.133 5.545 -0.878 1.00 65.33 H new ATOM 0 HB3 GLN A 39 -12.977 4.972 -2.304 1.00 65.33 H new ATOM 0 HG2 GLN A 39 -15.076 6.056 -1.496 1.00 50.15 H new ATOM 0 HG3 GLN A 39 -14.230 6.631 -0.073 1.00 50.15 H new ATOM 0 HE21 GLN A 39 -12.901 8.513 -0.236 1.00 70.45 H new ATOM 0 HE22 GLN A 39 -12.615 9.356 -1.762 1.00 70.45 H new ATOM 652 N ILE A 40 -11.311 2.850 -0.738 1.00 31.43 N ATOM 653 CA ILE A 40 -10.358 1.881 -1.292 1.00 21.24 C ATOM 654 C ILE A 40 -10.564 0.489 -0.679 1.00 63.45 C ATOM 655 O ILE A 40 -10.138 -0.516 -1.237 1.00 11.30 O ATOM 656 CB ILE A 40 -8.919 2.433 -1.108 1.00 23.21 C ATOM 657 CG1 ILE A 40 -8.718 3.831 -1.739 1.00 1.42 C ATOM 658 CG2 ILE A 40 -7.822 1.508 -1.667 1.00 63.35 C ATOM 659 CD1 ILE A 40 -9.469 4.041 -3.056 1.00 23.13 C ATOM 0 H ILE A 40 -10.876 3.589 -0.185 1.00 31.43 H new ATOM 0 HA ILE A 40 -10.529 1.751 -2.361 1.00 21.24 H new ATOM 0 HB ILE A 40 -8.816 2.497 -0.025 1.00 23.21 H new ATOM 0 HG12 ILE A 40 -9.041 4.589 -1.025 1.00 1.42 H new ATOM 0 HG13 ILE A 40 -7.653 3.989 -1.912 1.00 1.42 H new ATOM 0 HG21 ILE A 40 -6.845 1.961 -1.501 1.00 63.35 H new ATOM 0 HG22 ILE A 40 -7.866 0.544 -1.160 1.00 63.35 H new ATOM 0 HG23 ILE A 40 -7.978 1.363 -2.736 1.00 63.35 H new ATOM 0 HD11 ILE A 40 -9.274 5.046 -3.430 1.00 23.13 H new ATOM 0 HD12 ILE A 40 -9.130 3.309 -3.789 1.00 23.13 H new ATOM 0 HD13 ILE A 40 -10.539 3.918 -2.888 1.00 23.13 H new ATOM 671 N ALA A 41 -11.252 0.416 0.454 1.00 5.40 N ATOM 672 CA ALA A 41 -11.611 -0.835 1.092 1.00 50.42 C ATOM 673 C ALA A 41 -12.850 -1.409 0.412 1.00 14.11 C ATOM 674 O ALA A 41 -12.825 -2.543 -0.066 1.00 72.03 O ATOM 675 CB ALA A 41 -11.801 -0.592 2.589 1.00 31.32 C ATOM 0 H ALA A 41 -11.579 1.239 0.959 1.00 5.40 H new ATOM 0 HA ALA A 41 -10.820 -1.577 0.985 1.00 50.42 H new ATOM 0 HB1 ALA A 41 -12.071 -1.528 3.078 1.00 31.32 H new ATOM 0 HB2 ALA A 41 -10.873 -0.214 3.017 1.00 31.32 H new ATOM 0 HB3 ALA A 41 -12.595 0.139 2.741 1.00 31.32 H new ATOM 681 N HIS A 42 -13.938 -0.633 0.350 1.00 71.42 N ATOM 682 CA HIS A 42 -15.192 -1.092 -0.233 1.00 2.50 C ATOM 683 C HIS A 42 -15.023 -1.398 -1.722 1.00 72.03 C ATOM 684 O HIS A 42 -15.603 -2.370 -2.211 1.00 22.31 O ATOM 685 CB HIS A 42 -16.309 -0.063 0.004 1.00 1.23 C ATOM 686 CG HIS A 42 -17.620 -0.741 0.294 1.00 50.14 C ATOM 687 ND1 HIS A 42 -18.104 -1.021 1.552 1.00 64.23 N ATOM 688 CD2 HIS A 42 -18.487 -1.272 -0.621 1.00 50.11 C ATOM 689 CE1 HIS A 42 -19.228 -1.741 1.405 1.00 33.40 C ATOM 690 NE2 HIS A 42 -19.516 -1.896 0.100 1.00 61.15 N ATOM 0 H HIS A 42 -13.969 0.324 0.702 1.00 71.42 H new ATOM 0 HA HIS A 42 -15.481 -2.019 0.262 1.00 2.50 H new ATOM 0 HB2 HIS A 42 -16.039 0.585 0.838 1.00 1.23 H new ATOM 0 HB3 HIS A 42 -16.412 0.574 -0.874 1.00 1.23 H new ATOM 0 HD2 HIS A 42 -18.396 -1.221 -1.696 1.00 50.11 H new ATOM 0 HE1 HIS A 42 -19.817 -2.139 2.218 1.00 33.40 H new ATOM 0 HE2 HIS A 42 -20.327 -2.375 -0.290 1.00 61.15 H new ATOM 698 N ALA A 43 -14.181 -0.630 -2.420 1.00 65.04 N ATOM 699 CA ALA A 43 -13.897 -0.807 -3.839 1.00 71.24 C ATOM 700 C ALA A 43 -13.203 -2.136 -4.147 1.00 70.23 C ATOM 701 O ALA A 43 -13.092 -2.514 -5.318 1.00 70.45 O ATOM 702 CB ALA A 43 -13.049 0.363 -4.350 1.00 63.12 C ATOM 0 H ALA A 43 -13.669 0.147 -2.002 1.00 65.04 H new ATOM 0 HA ALA A 43 -14.856 -0.826 -4.357 1.00 71.24 H new ATOM 0 HB1 ALA A 43 -12.840 0.225 -5.411 1.00 63.12 H new ATOM 0 HB2 ALA A 43 -13.593 1.297 -4.206 1.00 63.12 H new ATOM 0 HB3 ALA A 43 -12.110 0.401 -3.797 1.00 63.12 H new ATOM 708 N LEU A 44 -12.730 -2.836 -3.114 1.00 11.40 N ATOM 709 CA LEU A 44 -11.964 -4.066 -3.193 1.00 50.45 C ATOM 710 C LEU A 44 -12.585 -5.169 -2.337 1.00 21.03 C ATOM 711 O LEU A 44 -11.959 -6.217 -2.208 1.00 31.10 O ATOM 712 CB LEU A 44 -10.519 -3.794 -2.740 1.00 45.25 C ATOM 713 CG LEU A 44 -9.749 -2.755 -3.573 1.00 42.21 C ATOM 714 CD1 LEU A 44 -8.332 -2.606 -3.013 1.00 74.44 C ATOM 715 CD2 LEU A 44 -9.696 -3.153 -5.051 1.00 14.23 C ATOM 0 H LEU A 44 -12.883 -2.538 -2.151 1.00 11.40 H new ATOM 0 HA LEU A 44 -11.970 -4.410 -4.227 1.00 50.45 H new ATOM 0 HB2 LEU A 44 -10.539 -3.460 -1.703 1.00 45.25 H new ATOM 0 HB3 LEU A 44 -9.967 -4.733 -2.762 1.00 45.25 H new ATOM 0 HG LEU A 44 -10.272 -1.801 -3.507 1.00 42.21 H new ATOM 0 HD11 LEU A 44 -7.784 -1.870 -3.601 1.00 74.44 H new ATOM 0 HD12 LEU A 44 -8.384 -2.276 -1.976 1.00 74.44 H new ATOM 0 HD13 LEU A 44 -7.818 -3.566 -3.063 1.00 74.44 H new ATOM 0 HD21 LEU A 44 -9.145 -2.398 -5.612 1.00 14.23 H new ATOM 0 HD22 LEU A 44 -9.195 -4.116 -5.151 1.00 14.23 H new ATOM 0 HD23 LEU A 44 -10.710 -3.229 -5.444 1.00 14.23 H new ATOM 727 N LYS A 45 -13.771 -4.962 -1.739 1.00 52.53 N ATOM 728 CA LYS A 45 -14.396 -5.902 -0.795 1.00 23.11 C ATOM 729 C LYS A 45 -13.456 -6.303 0.357 1.00 11.31 C ATOM 730 O LYS A 45 -13.571 -7.396 0.919 1.00 1.22 O ATOM 731 CB LYS A 45 -14.963 -7.104 -1.580 1.00 14.24 C ATOM 732 CG LYS A 45 -16.481 -7.055 -1.731 1.00 21.23 C ATOM 733 CD LYS A 45 -17.237 -7.322 -0.422 1.00 51.55 C ATOM 734 CE LYS A 45 -18.615 -7.942 -0.692 1.00 21.44 C ATOM 735 NZ LYS A 45 -19.442 -7.144 -1.622 1.00 22.04 N ATOM 0 H LYS A 45 -14.330 -4.124 -1.901 1.00 52.53 H new ATOM 0 HA LYS A 45 -15.227 -5.404 -0.295 1.00 23.11 H new ATOM 0 HB2 LYS A 45 -14.506 -7.133 -2.569 1.00 14.24 H new ATOM 0 HB3 LYS A 45 -14.683 -8.027 -1.072 1.00 14.24 H new ATOM 0 HG2 LYS A 45 -16.768 -6.076 -2.114 1.00 21.23 H new ATOM 0 HG3 LYS A 45 -16.788 -7.790 -2.475 1.00 21.23 H new ATOM 0 HD2 LYS A 45 -16.652 -7.991 0.209 1.00 51.55 H new ATOM 0 HD3 LYS A 45 -17.357 -6.389 0.128 1.00 51.55 H new ATOM 0 HE2 LYS A 45 -18.481 -8.943 -1.103 1.00 21.44 H new ATOM 0 HE3 LYS A 45 -19.147 -8.053 0.253 1.00 21.44 H new ATOM 0 HZ1 LYS A 45 -20.408 -7.529 -1.645 1.00 22.04 H new ATOM 0 HZ2 LYS A 45 -19.471 -6.156 -1.300 1.00 22.04 H new ATOM 0 HZ3 LYS A 45 -19.030 -7.185 -2.576 1.00 22.04 H new ATOM 749 N LEU A 46 -12.535 -5.411 0.718 1.00 63.15 N ATOM 750 CA LEU A 46 -11.630 -5.544 1.850 1.00 4.40 C ATOM 751 C LEU A 46 -12.141 -4.662 2.986 1.00 65.11 C ATOM 752 O LEU A 46 -12.968 -3.770 2.780 1.00 11.41 O ATOM 753 CB LEU A 46 -10.214 -5.113 1.424 1.00 74.25 C ATOM 754 CG LEU A 46 -9.459 -6.202 0.636 1.00 13.33 C ATOM 755 CD1 LEU A 46 -8.322 -5.549 -0.144 1.00 71.41 C ATOM 756 CD2 LEU A 46 -8.841 -7.278 1.545 1.00 71.45 C ATOM 0 H LEU A 46 -12.396 -4.540 0.205 1.00 63.15 H new ATOM 0 HA LEU A 46 -11.589 -6.579 2.188 1.00 4.40 H new ATOM 0 HB2 LEU A 46 -10.284 -4.213 0.812 1.00 74.25 H new ATOM 0 HB3 LEU A 46 -9.638 -4.851 2.312 1.00 74.25 H new ATOM 0 HG LEU A 46 -10.186 -6.683 -0.018 1.00 13.33 H new ATOM 0 HD11 LEU A 46 -7.781 -6.311 -0.705 1.00 71.41 H new ATOM 0 HD12 LEU A 46 -8.731 -4.812 -0.835 1.00 71.41 H new ATOM 0 HD13 LEU A 46 -7.640 -5.057 0.550 1.00 71.41 H new ATOM 0 HD21 LEU A 46 -8.323 -8.017 0.934 1.00 71.45 H new ATOM 0 HD22 LEU A 46 -8.132 -6.812 2.230 1.00 71.45 H new ATOM 0 HD23 LEU A 46 -9.629 -7.768 2.116 1.00 71.45 H new ATOM 768 N SER A 47 -11.598 -4.871 4.185 1.00 72.11 N ATOM 769 CA SER A 47 -11.862 -4.009 5.328 1.00 31.00 C ATOM 770 C SER A 47 -10.918 -2.809 5.307 1.00 42.44 C ATOM 771 O SER A 47 -9.819 -2.886 4.748 1.00 32.21 O ATOM 772 CB SER A 47 -11.765 -4.787 6.655 1.00 52.23 C ATOM 773 OG SER A 47 -11.290 -6.122 6.551 1.00 54.24 O ATOM 0 H SER A 47 -10.963 -5.643 4.387 1.00 72.11 H new ATOM 0 HA SER A 47 -12.885 -3.640 5.254 1.00 31.00 H new ATOM 0 HB2 SER A 47 -11.108 -4.238 7.330 1.00 52.23 H new ATOM 0 HB3 SER A 47 -12.752 -4.807 7.117 1.00 52.23 H new ATOM 0 HG SER A 47 -11.412 -6.580 7.409 1.00 54.24 H new ATOM 779 N GLU A 48 -11.301 -1.726 5.993 1.00 62.44 N ATOM 780 CA GLU A 48 -10.478 -0.529 6.148 1.00 11.14 C ATOM 781 C GLU A 48 -9.088 -0.895 6.672 1.00 74.04 C ATOM 782 O GLU A 48 -8.078 -0.370 6.203 1.00 50.45 O ATOM 783 CB GLU A 48 -11.126 0.439 7.147 1.00 51.42 C ATOM 784 CG GLU A 48 -12.332 1.222 6.607 1.00 33.04 C ATOM 785 CD GLU A 48 -12.789 2.304 7.598 1.00 22.32 C ATOM 786 OE1 GLU A 48 -11.940 2.842 8.352 1.00 61.43 O ATOM 787 OE2 GLU A 48 -13.987 2.654 7.650 1.00 0.22 O ATOM 0 H GLU A 48 -12.205 -1.659 6.461 1.00 62.44 H new ATOM 0 HA GLU A 48 -10.393 -0.057 5.169 1.00 11.14 H new ATOM 0 HB2 GLU A 48 -11.442 -0.126 8.024 1.00 51.42 H new ATOM 0 HB3 GLU A 48 -10.371 1.150 7.482 1.00 51.42 H new ATOM 0 HG2 GLU A 48 -12.070 1.685 5.656 1.00 33.04 H new ATOM 0 HG3 GLU A 48 -13.155 0.535 6.411 1.00 33.04 H new ATOM 794 N VAL A 49 -9.036 -1.796 7.657 1.00 55.41 N ATOM 795 CA VAL A 49 -7.789 -2.197 8.288 1.00 13.42 C ATOM 796 C VAL A 49 -6.855 -2.879 7.279 1.00 23.24 C ATOM 797 O VAL A 49 -5.651 -2.648 7.328 1.00 24.04 O ATOM 798 CB VAL A 49 -8.085 -3.061 9.528 1.00 62.11 C ATOM 799 CG1 VAL A 49 -6.779 -3.555 10.151 1.00 24.03 C ATOM 800 CG2 VAL A 49 -8.861 -2.270 10.593 1.00 41.44 C ATOM 0 H VAL A 49 -9.860 -2.264 8.035 1.00 55.41 H new ATOM 0 HA VAL A 49 -7.254 -1.313 8.635 1.00 13.42 H new ATOM 0 HB VAL A 49 -8.692 -3.904 9.197 1.00 62.11 H new ATOM 0 HG11 VAL A 49 -7.001 -4.165 11.027 1.00 24.03 H new ATOM 0 HG12 VAL A 49 -6.232 -4.153 9.422 1.00 24.03 H new ATOM 0 HG13 VAL A 49 -6.172 -2.700 10.449 1.00 24.03 H new ATOM 0 HG21 VAL A 49 -9.053 -2.910 11.454 1.00 41.44 H new ATOM 0 HG22 VAL A 49 -8.273 -1.408 10.906 1.00 41.44 H new ATOM 0 HG23 VAL A 49 -9.809 -1.930 10.175 1.00 41.44 H new ATOM 810 N GLN A 50 -7.370 -3.669 6.337 1.00 34.34 N ATOM 811 CA GLN A 50 -6.543 -4.334 5.333 1.00 2.24 C ATOM 812 C GLN A 50 -5.775 -3.293 4.521 1.00 14.50 C ATOM 813 O GLN A 50 -4.557 -3.370 4.371 1.00 73.04 O ATOM 814 CB GLN A 50 -7.407 -5.198 4.402 1.00 25.31 C ATOM 815 CG GLN A 50 -8.419 -6.094 5.116 1.00 3.43 C ATOM 816 CD GLN A 50 -7.806 -6.941 6.225 1.00 63.22 C ATOM 817 OE1 GLN A 50 -6.680 -7.409 6.134 1.00 73.21 O ATOM 818 NE2 GLN A 50 -8.534 -7.136 7.307 1.00 24.01 N ATOM 0 H GLN A 50 -8.367 -3.865 6.249 1.00 34.34 H new ATOM 0 HA GLN A 50 -5.834 -4.985 5.844 1.00 2.24 H new ATOM 0 HB2 GLN A 50 -7.943 -4.543 3.715 1.00 25.31 H new ATOM 0 HB3 GLN A 50 -6.751 -5.824 3.798 1.00 25.31 H new ATOM 0 HG2 GLN A 50 -9.208 -5.472 5.539 1.00 3.43 H new ATOM 0 HG3 GLN A 50 -8.889 -6.752 4.385 1.00 3.43 H new ATOM 0 HE21 GLN A 50 -9.472 -6.740 7.369 1.00 24.01 H new ATOM 0 HE22 GLN A 50 -8.159 -7.683 8.082 1.00 24.01 H new ATOM 827 N VAL A 51 -6.489 -2.285 4.020 1.00 44.15 N ATOM 828 CA VAL A 51 -5.898 -1.218 3.225 1.00 62.13 C ATOM 829 C VAL A 51 -4.962 -0.368 4.100 1.00 2.32 C ATOM 830 O VAL A 51 -3.931 0.125 3.633 1.00 63.02 O ATOM 831 CB VAL A 51 -7.023 -0.394 2.569 1.00 45.34 C ATOM 832 CG1 VAL A 51 -6.443 0.545 1.511 1.00 72.32 C ATOM 833 CG2 VAL A 51 -8.070 -1.278 1.871 1.00 3.30 C ATOM 0 H VAL A 51 -7.495 -2.189 4.156 1.00 44.15 H new ATOM 0 HA VAL A 51 -5.285 -1.630 2.423 1.00 62.13 H new ATOM 0 HB VAL A 51 -7.503 0.161 3.375 1.00 45.34 H new ATOM 0 HG11 VAL A 51 -7.248 1.121 1.055 1.00 72.32 H new ATOM 0 HG12 VAL A 51 -5.730 1.224 1.979 1.00 72.32 H new ATOM 0 HG13 VAL A 51 -5.936 -0.040 0.744 1.00 72.32 H new ATOM 0 HG21 VAL A 51 -8.840 -0.648 1.426 1.00 3.30 H new ATOM 0 HG22 VAL A 51 -7.587 -1.867 1.091 1.00 3.30 H new ATOM 0 HG23 VAL A 51 -8.526 -1.947 2.601 1.00 3.30 H new ATOM 843 N LYS A 52 -5.268 -0.217 5.394 1.00 65.22 N ATOM 844 CA LYS A 52 -4.362 0.412 6.350 1.00 62.13 C ATOM 845 C LYS A 52 -3.027 -0.341 6.387 1.00 13.52 C ATOM 846 O LYS A 52 -1.984 0.318 6.358 1.00 71.14 O ATOM 847 CB LYS A 52 -5.059 0.530 7.718 1.00 1.20 C ATOM 848 CG LYS A 52 -4.269 1.356 8.738 1.00 22.13 C ATOM 849 CD LYS A 52 -5.134 1.816 9.923 1.00 44.13 C ATOM 850 CE LYS A 52 -5.520 0.643 10.832 1.00 64.23 C ATOM 851 NZ LYS A 52 -6.450 1.057 11.902 1.00 72.01 N ATOM 0 H LYS A 52 -6.149 -0.528 5.803 1.00 65.22 H new ATOM 0 HA LYS A 52 -4.118 1.428 6.040 1.00 62.13 H new ATOM 0 HB2 LYS A 52 -6.041 0.982 7.579 1.00 1.20 H new ATOM 0 HB3 LYS A 52 -5.223 -0.470 8.121 1.00 1.20 H new ATOM 0 HG2 LYS A 52 -3.434 0.763 9.111 1.00 22.13 H new ATOM 0 HG3 LYS A 52 -3.844 2.229 8.242 1.00 22.13 H new ATOM 0 HD2 LYS A 52 -4.590 2.562 10.503 1.00 44.13 H new ATOM 0 HD3 LYS A 52 -6.037 2.299 9.549 1.00 44.13 H new ATOM 0 HE2 LYS A 52 -5.982 -0.143 10.234 1.00 64.23 H new ATOM 0 HE3 LYS A 52 -4.621 0.218 11.277 1.00 64.23 H new ATOM 0 HZ1 LYS A 52 -6.686 0.235 12.494 1.00 72.01 H new ATOM 0 HZ2 LYS A 52 -6.001 1.789 12.489 1.00 72.01 H new ATOM 0 HZ3 LYS A 52 -7.319 1.439 11.478 1.00 72.01 H new ATOM 865 N ILE A 53 -3.052 -1.676 6.438 1.00 74.22 N ATOM 866 CA ILE A 53 -1.870 -2.526 6.556 1.00 64.31 C ATOM 867 C ILE A 53 -1.062 -2.541 5.254 1.00 71.21 C ATOM 868 O ILE A 53 0.169 -2.521 5.312 1.00 42.23 O ATOM 869 CB ILE A 53 -2.261 -3.953 7.004 1.00 31.14 C ATOM 870 CG1 ILE A 53 -2.850 -3.900 8.428 1.00 62.24 C ATOM 871 CG2 ILE A 53 -1.052 -4.910 7.015 1.00 62.35 C ATOM 872 CD1 ILE A 53 -3.701 -5.116 8.766 1.00 53.31 C ATOM 0 H ILE A 53 -3.922 -2.208 6.397 1.00 74.22 H new ATOM 0 HA ILE A 53 -1.226 -2.103 7.327 1.00 64.31 H new ATOM 0 HB ILE A 53 -2.992 -4.329 6.288 1.00 31.14 H new ATOM 0 HG12 ILE A 53 -2.036 -3.821 9.149 1.00 62.24 H new ATOM 0 HG13 ILE A 53 -3.456 -3.000 8.531 1.00 62.24 H new ATOM 0 HG21 ILE A 53 -1.375 -5.900 7.336 1.00 62.35 H new ATOM 0 HG22 ILE A 53 -0.629 -4.973 6.012 1.00 62.35 H new ATOM 0 HG23 ILE A 53 -0.296 -4.534 7.704 1.00 62.35 H new ATOM 0 HD11 ILE A 53 -4.087 -5.019 9.781 1.00 53.31 H new ATOM 0 HD12 ILE A 53 -4.534 -5.183 8.066 1.00 53.31 H new ATOM 0 HD13 ILE A 53 -3.093 -6.017 8.693 1.00 53.31 H new ATOM 884 N TRP A 54 -1.703 -2.591 4.083 1.00 30.21 N ATOM 885 CA TRP A 54 -0.939 -2.664 2.840 1.00 34.10 C ATOM 886 C TRP A 54 -0.106 -1.396 2.656 1.00 11.51 C ATOM 887 O TRP A 54 1.098 -1.468 2.404 1.00 51.21 O ATOM 888 CB TRP A 54 -1.854 -2.906 1.637 1.00 11.50 C ATOM 889 CG TRP A 54 -1.085 -3.301 0.414 1.00 33.01 C ATOM 890 CD1 TRP A 54 -0.932 -4.574 -0.012 1.00 70.35 C ATOM 891 CD2 TRP A 54 -0.384 -2.461 -0.563 1.00 43.44 C ATOM 892 NE1 TRP A 54 -0.115 -4.589 -1.124 1.00 44.12 N ATOM 893 CE2 TRP A 54 0.228 -3.316 -1.528 1.00 73.04 C ATOM 894 CE3 TRP A 54 -0.259 -1.068 -0.785 1.00 34.24 C ATOM 895 CZ2 TRP A 54 0.946 -2.821 -2.629 1.00 14.31 C ATOM 896 CZ3 TRP A 54 0.442 -0.559 -1.898 1.00 32.41 C ATOM 897 CH2 TRP A 54 1.055 -1.434 -2.810 1.00 1.43 C ATOM 0 H TRP A 54 -2.717 -2.583 3.972 1.00 30.21 H new ATOM 0 HA TRP A 54 -0.260 -3.515 2.905 1.00 34.10 H new ATOM 0 HB2 TRP A 54 -2.573 -3.688 1.881 1.00 11.50 H new ATOM 0 HB3 TRP A 54 -2.425 -2.001 1.429 1.00 11.50 H new ATOM 0 HD1 TRP A 54 -1.379 -5.444 0.446 1.00 70.35 H new ATOM 0 HE1 TRP A 54 0.198 -5.440 -1.591 1.00 44.12 H new ATOM 0 HE3 TRP A 54 -0.711 -0.380 -0.086 1.00 34.24 H new ATOM 0 HZ2 TRP A 54 1.409 -3.501 -3.329 1.00 14.31 H new ATOM 0 HZ3 TRP A 54 0.508 0.508 -2.050 1.00 32.41 H new ATOM 0 HH2 TRP A 54 1.609 -1.040 -3.649 1.00 1.43 H new ATOM 908 N PHE A 55 -0.742 -0.233 2.830 1.00 72.02 N ATOM 909 CA PHE A 55 -0.108 1.063 2.634 1.00 14.23 C ATOM 910 C PHE A 55 1.048 1.262 3.613 1.00 61.22 C ATOM 911 O PHE A 55 2.098 1.730 3.185 1.00 63.15 O ATOM 912 CB PHE A 55 -1.138 2.182 2.809 1.00 61.42 C ATOM 913 CG PHE A 55 -2.013 2.504 1.602 1.00 25.30 C ATOM 914 CD1 PHE A 55 -2.841 1.523 1.018 1.00 12.53 C ATOM 915 CD2 PHE A 55 -2.041 3.818 1.087 1.00 70.33 C ATOM 916 CE1 PHE A 55 -3.695 1.857 -0.047 1.00 10.14 C ATOM 917 CE2 PHE A 55 -2.895 4.146 0.017 1.00 74.34 C ATOM 918 CZ PHE A 55 -3.729 3.166 -0.544 1.00 14.41 C ATOM 0 H PHE A 55 -1.720 -0.170 3.113 1.00 72.02 H new ATOM 0 HA PHE A 55 0.292 1.096 1.621 1.00 14.23 H new ATOM 0 HB2 PHE A 55 -1.790 1.917 3.641 1.00 61.42 H new ATOM 0 HB3 PHE A 55 -0.608 3.090 3.097 1.00 61.42 H new ATOM 0 HD1 PHE A 55 -2.819 0.510 1.391 1.00 12.53 H new ATOM 0 HD2 PHE A 55 -1.403 4.576 1.517 1.00 70.33 H new ATOM 0 HE1 PHE A 55 -4.329 1.100 -0.485 1.00 10.14 H new ATOM 0 HE2 PHE A 55 -2.909 5.153 -0.373 1.00 74.34 H new ATOM 0 HZ PHE A 55 -4.394 3.420 -1.356 1.00 14.41 H new ATOM 928 N GLN A 56 0.886 0.932 4.904 1.00 21.14 N ATOM 929 CA GLN A 56 1.983 1.072 5.868 1.00 44.21 C ATOM 930 C GLN A 56 3.178 0.221 5.431 1.00 33.04 C ATOM 931 O GLN A 56 4.312 0.697 5.431 1.00 23.41 O ATOM 932 CB GLN A 56 1.559 0.753 7.315 1.00 33.12 C ATOM 933 CG GLN A 56 1.079 -0.679 7.499 1.00 72.32 C ATOM 934 CD GLN A 56 0.706 -1.105 8.906 1.00 62.25 C ATOM 935 OE1 GLN A 56 1.220 -2.094 9.410 1.00 32.23 O ATOM 936 NE2 GLN A 56 -0.240 -0.457 9.553 1.00 53.25 N ATOM 0 H GLN A 56 0.017 0.571 5.298 1.00 21.14 H new ATOM 0 HA GLN A 56 2.279 2.121 5.873 1.00 44.21 H new ATOM 0 HB2 GLN A 56 2.402 0.935 7.982 1.00 33.12 H new ATOM 0 HB3 GLN A 56 0.764 1.437 7.612 1.00 33.12 H new ATOM 0 HG2 GLN A 56 0.211 -0.830 6.858 1.00 72.32 H new ATOM 0 HG3 GLN A 56 1.861 -1.347 7.139 1.00 72.32 H new ATOM 0 HE21 GLN A 56 -0.670 0.368 9.135 1.00 53.25 H new ATOM 0 HE22 GLN A 56 -0.542 -0.780 10.472 1.00 53.25 H new ATOM 945 N ASN A 57 2.912 -1.023 5.018 1.00 73.41 N ATOM 946 CA ASN A 57 3.938 -1.997 4.691 1.00 34.33 C ATOM 947 C ASN A 57 4.732 -1.499 3.500 1.00 53.32 C ATOM 948 O ASN A 57 5.946 -1.686 3.442 1.00 44.21 O ATOM 949 CB ASN A 57 3.292 -3.360 4.387 1.00 5.24 C ATOM 950 CG ASN A 57 3.341 -4.261 5.609 1.00 24.11 C ATOM 951 OD1 ASN A 57 4.206 -5.137 5.678 1.00 61.32 O ATOM 952 ND2 ASN A 57 2.452 -4.064 6.573 1.00 3.30 N ATOM 0 H ASN A 57 1.963 -1.378 4.903 1.00 73.41 H new ATOM 0 HA ASN A 57 4.612 -2.124 5.539 1.00 34.33 H new ATOM 0 HB2 ASN A 57 2.257 -3.216 4.076 1.00 5.24 H new ATOM 0 HB3 ASN A 57 3.811 -3.837 3.556 1.00 5.24 H new ATOM 0 HD21 ASN A 57 2.469 -4.648 7.409 1.00 3.30 H new ATOM 0 HD22 ASN A 57 1.752 -3.328 6.478 1.00 3.30 H new ATOM 959 N GLU A 58 4.036 -0.848 2.572 1.00 62.13 N ATOM 960 CA GLU A 58 4.606 -0.307 1.359 1.00 1.32 C ATOM 961 C GLU A 58 5.420 0.929 1.696 1.00 12.43 C ATOM 962 O GLU A 58 6.603 0.972 1.399 1.00 23.13 O ATOM 963 CB GLU A 58 3.486 0.008 0.352 1.00 23.20 C ATOM 964 CG GLU A 58 4.004 0.080 -1.094 1.00 73.01 C ATOM 965 CD GLU A 58 4.590 -1.248 -1.584 1.00 64.13 C ATOM 966 OE1 GLU A 58 4.305 -2.319 -0.984 1.00 74.44 O ATOM 967 OE2 GLU A 58 5.409 -1.255 -2.526 1.00 5.43 O ATOM 0 H GLU A 58 3.033 -0.682 2.653 1.00 62.13 H new ATOM 0 HA GLU A 58 5.270 -1.038 0.898 1.00 1.32 H new ATOM 0 HB2 GLU A 58 2.713 -0.757 0.421 1.00 23.20 H new ATOM 0 HB3 GLU A 58 3.019 0.957 0.616 1.00 23.20 H new ATOM 0 HG2 GLU A 58 3.188 0.376 -1.753 1.00 73.01 H new ATOM 0 HG3 GLU A 58 4.767 0.856 -1.163 1.00 73.01 H new ATOM 974 N ARG A 59 4.824 1.913 2.369 1.00 71.13 N ATOM 975 CA ARG A 59 5.457 3.169 2.764 1.00 43.51 C ATOM 976 C ARG A 59 6.757 2.884 3.520 1.00 63.33 C ATOM 977 O ARG A 59 7.784 3.496 3.239 1.00 42.32 O ATOM 978 CB ARG A 59 4.398 3.955 3.561 1.00 22.02 C ATOM 979 CG ARG A 59 4.640 5.451 3.815 1.00 52.41 C ATOM 980 CD ARG A 59 3.292 6.031 4.296 1.00 42.45 C ATOM 981 NE ARG A 59 3.342 7.426 4.757 1.00 72.03 N ATOM 982 CZ ARG A 59 3.355 8.543 4.019 1.00 44.52 C ATOM 983 NH1 ARG A 59 3.469 8.500 2.696 1.00 2.52 N ATOM 984 NH2 ARG A 59 3.241 9.711 4.637 1.00 11.23 N ATOM 0 H ARG A 59 3.850 1.854 2.665 1.00 71.13 H new ATOM 0 HA ARG A 59 5.767 3.781 1.917 1.00 43.51 H new ATOM 0 HB2 ARG A 59 3.447 3.856 3.038 1.00 22.02 H new ATOM 0 HB3 ARG A 59 4.281 3.468 4.529 1.00 22.02 H new ATOM 0 HG2 ARG A 59 5.417 5.598 4.566 1.00 52.41 H new ATOM 0 HG3 ARG A 59 4.976 5.950 2.906 1.00 52.41 H new ATOM 0 HD2 ARG A 59 2.572 5.960 3.481 1.00 42.45 H new ATOM 0 HD3 ARG A 59 2.916 5.409 5.109 1.00 42.45 H new ATOM 0 HE ARG A 59 3.370 7.560 5.768 1.00 72.03 H new ATOM 0 HH11 ARG A 59 3.549 7.601 2.220 1.00 2.52 H new ATOM 0 HH12 ARG A 59 3.476 9.366 2.156 1.00 2.52 H new ATOM 0 HH21 ARG A 59 3.146 9.744 5.652 1.00 11.23 H new ATOM 0 HH22 ARG A 59 3.248 10.576 4.097 1.00 11.23 H new ATOM 998 N ALA A 60 6.749 1.892 4.411 1.00 34.23 N ATOM 999 CA ALA A 60 7.922 1.479 5.168 1.00 70.43 C ATOM 1000 C ALA A 60 8.958 0.805 4.267 1.00 24.04 C ATOM 1001 O ALA A 60 10.131 1.190 4.302 1.00 54.14 O ATOM 1002 CB ALA A 60 7.520 0.558 6.322 1.00 64.43 C ATOM 0 H ALA A 60 5.914 1.348 4.627 1.00 34.23 H new ATOM 0 HA ALA A 60 8.383 2.374 5.586 1.00 70.43 H new ATOM 0 HB1 ALA A 60 8.410 0.260 6.876 1.00 64.43 H new ATOM 0 HB2 ALA A 60 6.838 1.086 6.988 1.00 64.43 H new ATOM 0 HB3 ALA A 60 7.026 -0.329 5.925 1.00 64.43 H new ATOM 1008 N LYS A 61 8.570 -0.200 3.470 1.00 64.23 N ATOM 1009 CA LYS A 61 9.534 -0.899 2.613 1.00 12.15 C ATOM 1010 C LYS A 61 10.144 0.073 1.609 1.00 5.12 C ATOM 1011 O LYS A 61 11.346 0.045 1.362 1.00 25.12 O ATOM 1012 CB LYS A 61 8.904 -2.142 1.953 1.00 14.55 C ATOM 1013 CG LYS A 61 8.333 -1.978 0.538 1.00 71.01 C ATOM 1014 CD LYS A 61 7.560 -3.224 0.090 1.00 74.31 C ATOM 1015 CE LYS A 61 7.504 -3.239 -1.440 1.00 24.11 C ATOM 1016 NZ LYS A 61 6.300 -3.899 -1.972 1.00 73.12 N ATOM 0 H LYS A 61 7.612 -0.542 3.401 1.00 64.23 H new ATOM 0 HA LYS A 61 10.350 -1.276 3.229 1.00 12.15 H new ATOM 0 HB2 LYS A 61 9.660 -2.927 1.922 1.00 14.55 H new ATOM 0 HB3 LYS A 61 8.102 -2.497 2.601 1.00 14.55 H new ATOM 0 HG2 LYS A 61 7.673 -1.111 0.510 1.00 71.01 H new ATOM 0 HG3 LYS A 61 9.146 -1.783 -0.162 1.00 71.01 H new ATOM 0 HD2 LYS A 61 8.048 -4.126 0.460 1.00 74.31 H new ATOM 0 HD3 LYS A 61 6.552 -3.214 0.506 1.00 74.31 H new ATOM 0 HE2 LYS A 61 7.541 -2.214 -1.808 1.00 24.11 H new ATOM 0 HE3 LYS A 61 8.388 -3.747 -1.824 1.00 24.11 H new ATOM 0 HZ1 LYS A 61 6.198 -3.674 -2.982 1.00 73.12 H new ATOM 0 HZ2 LYS A 61 6.388 -4.929 -1.854 1.00 73.12 H new ATOM 0 HZ3 LYS A 61 5.462 -3.562 -1.456 1.00 73.12 H new ATOM 1030 N TRP A 62 9.324 0.964 1.063 1.00 13.15 N ATOM 1031 CA TRP A 62 9.718 1.979 0.119 1.00 70.14 C ATOM 1032 C TRP A 62 10.685 2.947 0.794 1.00 51.10 C ATOM 1033 O TRP A 62 11.681 3.320 0.181 1.00 50.51 O ATOM 1034 CB TRP A 62 8.470 2.664 -0.458 1.00 34.35 C ATOM 1035 CG TRP A 62 8.673 3.320 -1.783 1.00 25.24 C ATOM 1036 CD1 TRP A 62 8.218 2.857 -2.969 1.00 65.43 C ATOM 1037 CD2 TRP A 62 9.369 4.563 -2.079 1.00 42.20 C ATOM 1038 NE1 TRP A 62 8.646 3.690 -3.982 1.00 2.53 N ATOM 1039 CE2 TRP A 62 9.360 4.761 -3.490 1.00 34.41 C ATOM 1040 CE3 TRP A 62 9.982 5.558 -1.291 1.00 74.30 C ATOM 1041 CZ2 TRP A 62 9.960 5.875 -4.090 1.00 3.55 C ATOM 1042 CZ3 TRP A 62 10.598 6.675 -1.879 1.00 62.12 C ATOM 1043 CH2 TRP A 62 10.594 6.829 -3.276 1.00 54.13 C ATOM 0 H TRP A 62 8.328 0.992 1.281 1.00 13.15 H new ATOM 0 HA TRP A 62 10.247 1.539 -0.726 1.00 70.14 H new ATOM 0 HB2 TRP A 62 7.677 1.922 -0.553 1.00 34.35 H new ATOM 0 HB3 TRP A 62 8.122 3.413 0.253 1.00 34.35 H new ATOM 0 HD1 TRP A 62 7.613 1.972 -3.103 1.00 65.43 H new ATOM 0 HE1 TRP A 62 8.457 3.533 -4.972 1.00 2.53 H new ATOM 0 HE3 TRP A 62 9.978 5.460 -0.215 1.00 74.30 H new ATOM 0 HZ2 TRP A 62 9.936 5.999 -5.163 1.00 3.55 H new ATOM 0 HZ3 TRP A 62 11.076 7.417 -1.256 1.00 62.12 H new ATOM 0 HH2 TRP A 62 11.079 7.683 -3.725 1.00 54.13 H new ATOM 1054 N LYS A 63 10.502 3.288 2.078 1.00 32.11 N ATOM 1055 CA LYS A 63 11.513 4.085 2.778 1.00 14.13 C ATOM 1056 C LYS A 63 12.901 3.433 2.799 1.00 30.44 C ATOM 1057 O LYS A 63 13.876 4.184 2.847 1.00 65.03 O ATOM 1058 CB LYS A 63 11.056 4.487 4.193 1.00 5.33 C ATOM 1059 CG LYS A 63 10.207 5.773 4.181 1.00 13.32 C ATOM 1060 CD LYS A 63 10.403 6.593 5.462 1.00 50.23 C ATOM 1061 CE LYS A 63 11.724 7.383 5.434 1.00 73.02 C ATOM 1062 NZ LYS A 63 12.080 7.917 6.767 1.00 44.51 N ATOM 0 H LYS A 63 9.688 3.032 2.637 1.00 32.11 H new ATOM 0 HA LYS A 63 11.618 4.998 2.192 1.00 14.13 H new ATOM 0 HB2 LYS A 63 10.477 3.674 4.632 1.00 5.33 H new ATOM 0 HB3 LYS A 63 11.930 4.635 4.828 1.00 5.33 H new ATOM 0 HG2 LYS A 63 10.476 6.379 3.316 1.00 13.32 H new ATOM 0 HG3 LYS A 63 9.154 5.513 4.073 1.00 13.32 H new ATOM 0 HD2 LYS A 63 9.568 7.283 5.584 1.00 50.23 H new ATOM 0 HD3 LYS A 63 10.395 5.928 6.325 1.00 50.23 H new ATOM 0 HE2 LYS A 63 12.525 6.736 5.077 1.00 73.02 H new ATOM 0 HE3 LYS A 63 11.639 8.206 4.725 1.00 73.02 H new ATOM 0 HZ1 LYS A 63 12.976 8.442 6.703 1.00 44.51 H new ATOM 0 HZ2 LYS A 63 11.328 8.555 7.098 1.00 44.51 H new ATOM 0 HZ3 LYS A 63 12.187 7.130 7.439 1.00 44.51 H new ATOM 1076 N ARG A 64 13.048 2.100 2.698 1.00 4.45 N ATOM 1077 CA ARG A 64 14.388 1.500 2.582 1.00 13.51 C ATOM 1078 C ARG A 64 15.061 1.807 1.242 1.00 61.22 C ATOM 1079 O ARG A 64 16.258 1.564 1.083 1.00 41.34 O ATOM 1080 CB ARG A 64 14.404 -0.018 2.856 1.00 2.25 C ATOM 1081 CG ARG A 64 13.995 -0.379 4.293 1.00 34.03 C ATOM 1082 CD ARG A 64 14.683 -1.662 4.808 1.00 13.23 C ATOM 1083 NE ARG A 64 16.006 -1.400 5.410 1.00 43.12 N ATOM 1084 CZ ARG A 64 16.758 -2.279 6.095 1.00 4.12 C ATOM 1085 NH1 ARG A 64 16.394 -3.553 6.215 1.00 14.53 N ATOM 1086 NH2 ARG A 64 17.885 -1.874 6.669 1.00 50.33 N ATOM 0 H ARG A 64 12.277 1.433 2.694 1.00 4.45 H new ATOM 0 HA ARG A 64 14.972 1.978 3.369 1.00 13.51 H new ATOM 0 HB2 ARG A 64 13.729 -0.514 2.158 1.00 2.25 H new ATOM 0 HB3 ARG A 64 15.404 -0.405 2.662 1.00 2.25 H new ATOM 0 HG2 ARG A 64 14.242 0.451 4.955 1.00 34.03 H new ATOM 0 HG3 ARG A 64 12.914 -0.510 4.336 1.00 34.03 H new ATOM 0 HD2 ARG A 64 14.041 -2.141 5.547 1.00 13.23 H new ATOM 0 HD3 ARG A 64 14.797 -2.364 3.982 1.00 13.23 H new ATOM 0 HE ARG A 64 16.386 -0.461 5.295 1.00 43.12 H new ATOM 0 HH11 ARG A 64 15.530 -3.879 5.783 1.00 14.53 H new ATOM 0 HH12 ARG A 64 16.979 -4.203 6.739 1.00 14.53 H new ATOM 0 HH21 ARG A 64 18.177 -0.900 6.589 1.00 50.33 H new ATOM 0 HH22 ARG A 64 18.459 -2.537 7.190 1.00 50.33 H new ATOM 1100 N ILE A 65 14.332 2.324 0.257 1.00 2.34 N ATOM 1101 CA ILE A 65 14.886 2.718 -1.036 1.00 62.01 C ATOM 1102 C ILE A 65 15.634 4.048 -0.886 1.00 23.45 C ATOM 1103 O ILE A 65 16.745 4.168 -1.406 1.00 73.01 O ATOM 1104 CB ILE A 65 13.795 2.783 -2.130 1.00 23.12 C ATOM 1105 CG1 ILE A 65 13.044 1.435 -2.254 1.00 74.03 C ATOM 1106 CG2 ILE A 65 14.461 3.149 -3.467 1.00 54.14 C ATOM 1107 CD1 ILE A 65 11.774 1.523 -3.106 1.00 5.41 C ATOM 0 H ILE A 65 13.328 2.483 0.335 1.00 2.34 H new ATOM 0 HA ILE A 65 15.595 1.958 -1.363 1.00 62.01 H new ATOM 0 HB ILE A 65 13.061 3.541 -1.858 1.00 23.12 H new ATOM 0 HG12 ILE A 65 13.714 0.693 -2.689 1.00 74.03 H new ATOM 0 HG13 ILE A 65 12.780 1.081 -1.257 1.00 74.03 H new ATOM 0 HG21 ILE A 65 13.704 3.199 -4.249 1.00 54.14 H new ATOM 0 HG22 ILE A 65 14.952 4.118 -3.376 1.00 54.14 H new ATOM 0 HG23 ILE A 65 15.200 2.390 -3.725 1.00 54.14 H new ATOM 0 HD11 ILE A 65 11.298 0.544 -3.151 1.00 5.41 H new ATOM 0 HD12 ILE A 65 11.086 2.241 -2.660 1.00 5.41 H new ATOM 0 HD13 ILE A 65 12.034 1.847 -4.114 1.00 5.41 H new ATOM 1119 N LYS A 66 15.075 5.015 -0.139 1.00 64.42 N ATOM 1120 CA LYS A 66 15.685 6.332 0.105 1.00 3.43 C ATOM 1121 C LYS A 66 17.019 6.267 0.861 1.00 33.41 C ATOM 1122 O LYS A 66 17.682 7.293 0.997 1.00 1.22 O ATOM 1123 CB LYS A 66 14.684 7.273 0.811 1.00 72.03 C ATOM 1124 CG LYS A 66 13.795 8.074 -0.163 1.00 32.11 C ATOM 1125 CD LYS A 66 14.532 9.140 -1.001 1.00 14.15 C ATOM 1126 CE LYS A 66 15.207 10.238 -0.163 1.00 64.14 C ATOM 1127 NZ LYS A 66 14.283 11.304 0.271 1.00 74.02 N ATOM 0 H LYS A 66 14.171 4.901 0.320 1.00 64.42 H new ATOM 0 HA LYS A 66 15.927 6.742 -0.875 1.00 3.43 H new ATOM 0 HB2 LYS A 66 14.047 6.683 1.470 1.00 72.03 H new ATOM 0 HB3 LYS A 66 15.236 7.970 1.442 1.00 72.03 H new ATOM 0 HG2 LYS A 66 13.307 7.375 -0.842 1.00 32.11 H new ATOM 0 HG3 LYS A 66 13.008 8.565 0.409 1.00 32.11 H new ATOM 0 HD2 LYS A 66 15.288 8.648 -1.612 1.00 14.15 H new ATOM 0 HD3 LYS A 66 13.822 9.604 -1.685 1.00 14.15 H new ATOM 0 HE2 LYS A 66 15.662 9.783 0.717 1.00 64.14 H new ATOM 0 HE3 LYS A 66 16.014 10.683 -0.745 1.00 64.14 H new ATOM 0 HZ1 LYS A 66 14.804 12.009 0.830 1.00 74.02 H new ATOM 0 HZ2 LYS A 66 13.866 11.764 -0.564 1.00 74.02 H new ATOM 0 HZ3 LYS A 66 13.526 10.892 0.853 1.00 74.02 H new ATOM 1141 N ALA A 67 17.439 5.078 1.291 1.00 33.45 N ATOM 1142 CA ALA A 67 18.811 4.685 1.584 1.00 4.44 C ATOM 1143 C ALA A 67 19.381 5.240 2.899 1.00 41.23 C ATOM 1144 O ALA A 67 20.489 4.874 3.291 1.00 62.40 O ATOM 1145 CB ALA A 67 19.741 4.999 0.409 1.00 50.10 C ATOM 0 H ALA A 67 16.783 4.314 1.454 1.00 33.45 H new ATOM 0 HA ALA A 67 18.764 3.606 1.730 1.00 4.44 H new ATOM 0 HB1 ALA A 67 20.757 4.694 0.658 1.00 50.10 H new ATOM 0 HB2 ALA A 67 19.406 4.457 -0.475 1.00 50.10 H new ATOM 0 HB3 ALA A 67 19.723 6.070 0.206 1.00 50.10 H new ATOM 1151 N GLY A 68 18.649 6.089 3.617 1.00 2.34 N ATOM 1152 CA GLY A 68 19.246 6.859 4.695 1.00 43.41 C ATOM 1153 C GLY A 68 20.048 8.003 4.093 1.00 11.45 C ATOM 1154 O GLY A 68 21.234 8.143 4.378 1.00 74.01 O ATOM 0 H GLY A 68 17.654 6.257 3.471 1.00 2.34 H new ATOM 0 HA2 GLY A 68 18.471 7.248 5.355 1.00 43.41 H new ATOM 0 HA3 GLY A 68 19.892 6.223 5.301 1.00 43.41 H new ATOM 1158 N ASN A 69 19.381 8.809 3.264 1.00 71.02 N ATOM 1159 CA ASN A 69 19.888 10.025 2.646 1.00 14.53 C ATOM 1160 C ASN A 69 20.109 11.062 3.741 1.00 1.51 C ATOM 1161 O ASN A 69 19.199 11.829 4.061 1.00 54.12 O ATOM 1162 CB ASN A 69 18.909 10.529 1.572 1.00 14.11 C ATOM 1163 CG ASN A 69 19.490 10.342 0.184 1.00 4.41 C ATOM 1164 OD1 ASN A 69 20.009 11.271 -0.427 1.00 63.43 O ATOM 1165 ND2 ASN A 69 19.397 9.138 -0.341 1.00 74.11 N ATOM 0 H ASN A 69 18.417 8.614 2.994 1.00 71.02 H new ATOM 0 HA ASN A 69 20.836 9.830 2.144 1.00 14.53 H new ATOM 0 HB2 ASN A 69 17.965 9.990 1.652 1.00 14.11 H new ATOM 0 HB3 ASN A 69 18.689 11.583 1.740 1.00 14.11 H new ATOM 0 HD21 ASN A 69 19.761 8.960 -1.277 1.00 74.11 H new ATOM 0 HD22 ASN A 69 18.961 8.383 0.188 1.00 74.11 H new ATOM 1172 N VAL A 70 21.283 11.028 4.363 1.00 2.43 N ATOM 1173 CA VAL A 70 21.735 11.960 5.402 1.00 71.43 C ATOM 1174 C VAL A 70 20.710 12.070 6.558 1.00 1.33 C ATOM 1175 O VAL A 70 20.604 13.094 7.235 1.00 72.44 O ATOM 1176 CB VAL A 70 22.203 13.280 4.734 1.00 51.52 C ATOM 1177 CG1 VAL A 70 22.916 14.237 5.700 1.00 63.44 C ATOM 1178 CG2 VAL A 70 23.213 13.020 3.597 1.00 33.12 C ATOM 0 H VAL A 70 21.982 10.317 4.149 1.00 2.43 H new ATOM 0 HA VAL A 70 22.617 11.582 5.920 1.00 71.43 H new ATOM 0 HB VAL A 70 21.279 13.728 4.369 1.00 51.52 H new ATOM 0 HG11 VAL A 70 23.215 15.138 5.165 1.00 63.44 H new ATOM 0 HG12 VAL A 70 22.240 14.505 6.512 1.00 63.44 H new ATOM 0 HG13 VAL A 70 23.800 13.748 6.110 1.00 63.44 H new ATOM 0 HG21 VAL A 70 23.516 13.969 3.155 1.00 33.12 H new ATOM 0 HG22 VAL A 70 24.089 12.510 3.998 1.00 33.12 H new ATOM 0 HG23 VAL A 70 22.748 12.396 2.833 1.00 33.12 H new ATOM 1188 N SER A 71 20.004 10.965 6.822 1.00 63.30 N ATOM 1189 CA SER A 71 19.113 10.718 7.953 1.00 64.03 C ATOM 1190 C SER A 71 17.918 11.667 7.947 1.00 13.22 C ATOM 1191 O SER A 71 16.903 11.276 7.333 1.00 23.13 O ATOM 1192 CB SER A 71 19.905 10.689 9.276 1.00 20.15 C ATOM 1193 OG SER A 71 20.972 9.746 9.218 1.00 42.11 O ATOM 0 H SER A 71 20.047 10.159 6.199 1.00 63.30 H new ATOM 0 HA SER A 71 18.675 9.725 7.850 1.00 64.03 H new ATOM 0 HB2 SER A 71 20.304 11.681 9.486 1.00 20.15 H new ATOM 0 HB3 SER A 71 19.236 10.435 10.098 1.00 20.15 H new ATOM 0 HG SER A 71 21.458 9.750 10.069 1.00 42.11 H new TER 1199 SER A 71