USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 682 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 38 THR OG1 : rot 156:sc= 0.865 USER MOD Set 1.2: A 42 SER OG : rot 126:sc= 0.765 USER MOD Single : A 1 SER N :NH3+ -133:sc= 0.0669 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 149:sc= 0.258 (180deg=0.0317) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= -1.95! (180deg=-2.87!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -74:sc= 0.202 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= -0.0104 (180deg=-0.141) USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 1.31 (180deg=1.29) USER MOD Single : A 22 MET CE :methyl 161:sc= -0.178 (180deg=-0.69) USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= 1.11 (180deg=0.619) USER MOD Single : A 25 LYS NZ :NH3+ -136:sc= 0.0706 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : +bothHN:sc= -1.32 K(o=-1.3,f=-3.4) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.021 (180deg=-0.277) USER MOD Single : A 33 MET CE :methyl 159:sc= -0.18 (180deg=-0.706) USER MOD Single : A 37 THR OG1 : rot -160:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 1:sc= 1.22 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.218 K(o=-0.22,f=-1) USER MOD Single : A 49 HIS : no HD1:sc= -0.273 K(o=-0.27,f=-1.5) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.279 F(o=-0.91,f=-0.28) USER MOD Single : A 54 LYS NZ :NH3+ 172:sc= 0.369 (180deg=-0.0862) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 174:sc= -0.0287 USER MOD Single : A 59 LYS NZ :NH3+ 132:sc= 0.00606 (180deg=-0.1) USER MOD Single : A 63 LYS NZ :NH3+ 133:sc= -0.0981 (180deg=-0.727) USER MOD Single : A 65 TYR OH : rot -130:sc= -0.181 USER MOD Single : A 66 ASN : amide:sc= 0.715 K(o=0.72,f=-0.081) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= 1.19 (180deg=1.11) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 20.436 -6.196 -10.379 1.00 64.03 N ATOM 2 CA SER A 1 19.961 -5.258 -9.365 1.00 61.44 C ATOM 3 C SER A 1 19.022 -5.931 -8.345 1.00 54.01 C ATOM 4 O SER A 1 18.774 -7.147 -8.399 1.00 5.21 O ATOM 5 CB SER A 1 19.293 -4.040 -10.027 1.00 53.45 C ATOM 6 OG SER A 1 20.200 -3.399 -10.907 1.00 42.33 O ATOM 0 H1 SER A 1 21.464 -6.090 -10.496 1.00 64.03 H new ATOM 0 H2 SER A 1 20.220 -7.169 -10.080 1.00 64.03 H new ATOM 0 H3 SER A 1 19.962 -5.998 -11.284 1.00 64.03 H new ATOM 0 HA SER A 1 20.830 -4.910 -8.806 1.00 61.44 H new ATOM 0 HB2 SER A 1 18.406 -4.357 -10.576 1.00 53.45 H new ATOM 0 HB3 SER A 1 18.961 -3.338 -9.262 1.00 53.45 H new ATOM 0 HG SER A 1 19.762 -2.627 -11.323 1.00 42.33 H new ATOM 12 N LYS A 2 18.535 -5.153 -7.415 1.00 60.51 N ATOM 13 CA LYS A 2 17.632 -5.630 -6.396 1.00 0.24 C ATOM 14 C LYS A 2 16.338 -4.834 -6.466 1.00 65.44 C ATOM 15 O LYS A 2 15.996 -4.298 -7.528 1.00 15.31 O ATOM 16 CB LYS A 2 18.294 -5.548 -5.010 1.00 74.31 C ATOM 17 CG LYS A 2 19.488 -6.485 -4.848 1.00 55.33 C ATOM 18 CD LYS A 2 20.092 -6.411 -3.457 1.00 4.43 C ATOM 19 CE LYS A 2 21.231 -7.408 -3.312 1.00 25.31 C ATOM 20 NZ LYS A 2 21.855 -7.368 -1.975 1.00 74.45 N ATOM 0 H LYS A 2 18.755 -4.160 -7.341 1.00 60.51 H new ATOM 0 HA LYS A 2 17.394 -6.680 -6.568 1.00 0.24 H new ATOM 0 HB2 LYS A 2 18.620 -4.523 -4.832 1.00 74.31 H new ATOM 0 HB3 LYS A 2 17.552 -5.783 -4.247 1.00 74.31 H new ATOM 0 HG2 LYS A 2 19.174 -7.509 -5.052 1.00 55.33 H new ATOM 0 HG3 LYS A 2 20.249 -6.232 -5.586 1.00 55.33 H new ATOM 0 HD2 LYS A 2 20.459 -5.402 -3.268 1.00 4.43 H new ATOM 0 HD3 LYS A 2 19.325 -6.617 -2.711 1.00 4.43 H new ATOM 0 HE2 LYS A 2 20.855 -8.413 -3.503 1.00 25.31 H new ATOM 0 HE3 LYS A 2 21.988 -7.201 -4.068 1.00 25.31 H new ATOM 0 HZ1 LYS A 2 22.624 -8.066 -1.930 1.00 74.45 H new ATOM 0 HZ2 LYS A 2 22.239 -6.418 -1.799 1.00 74.45 H new ATOM 0 HZ3 LYS A 2 21.142 -7.592 -1.252 1.00 74.45 H new ATOM 34 N CYS A 3 15.614 -4.765 -5.387 1.00 12.14 N ATOM 35 CA CYS A 3 14.344 -4.102 -5.406 1.00 12.42 C ATOM 36 C CYS A 3 14.409 -2.746 -4.703 1.00 34.25 C ATOM 37 O CYS A 3 14.303 -2.646 -3.475 1.00 23.42 O ATOM 38 CB CYS A 3 13.289 -5.005 -4.790 1.00 2.10 C ATOM 39 SG CYS A 3 13.250 -6.662 -5.565 1.00 1.50 S ATOM 0 H CYS A 3 15.881 -5.159 -4.485 1.00 12.14 H new ATOM 0 HA CYS A 3 14.068 -3.902 -6.441 1.00 12.42 H new ATOM 0 HB2 CYS A 3 13.483 -5.111 -3.723 1.00 2.10 H new ATOM 0 HB3 CYS A 3 12.310 -4.537 -4.891 1.00 2.10 H new ATOM 44 N LYS A 4 14.639 -1.719 -5.483 1.00 42.54 N ATOM 45 CA LYS A 4 14.711 -0.368 -4.983 1.00 23.42 C ATOM 46 C LYS A 4 13.540 0.434 -5.515 1.00 73.35 C ATOM 47 O LYS A 4 13.176 0.318 -6.692 1.00 2.23 O ATOM 48 CB LYS A 4 16.052 0.286 -5.392 1.00 43.44 C ATOM 49 CG LYS A 4 16.231 1.750 -4.971 1.00 51.55 C ATOM 50 CD LYS A 4 16.184 1.926 -3.459 1.00 1.31 C ATOM 51 CE LYS A 4 16.346 3.388 -3.071 1.00 1.24 C ATOM 52 NZ LYS A 4 16.308 3.579 -1.610 1.00 51.31 N ATOM 0 H LYS A 4 14.783 -1.797 -6.490 1.00 42.54 H new ATOM 0 HA LYS A 4 14.661 -0.385 -3.894 1.00 23.42 H new ATOM 0 HB2 LYS A 4 16.866 -0.299 -4.964 1.00 43.44 H new ATOM 0 HB3 LYS A 4 16.150 0.224 -6.476 1.00 43.44 H new ATOM 0 HG2 LYS A 4 17.184 2.120 -5.348 1.00 51.55 H new ATOM 0 HG3 LYS A 4 15.450 2.356 -5.430 1.00 51.55 H new ATOM 0 HD2 LYS A 4 15.236 1.548 -3.075 1.00 1.31 H new ATOM 0 HD3 LYS A 4 16.974 1.334 -2.996 1.00 1.31 H new ATOM 0 HE2 LYS A 4 17.292 3.764 -3.461 1.00 1.24 H new ATOM 0 HE3 LYS A 4 15.554 3.976 -3.534 1.00 1.24 H new ATOM 0 HZ1 LYS A 4 16.905 4.390 -1.350 1.00 51.31 H new ATOM 0 HZ2 LYS A 4 15.329 3.759 -1.309 1.00 51.31 H new ATOM 0 HZ3 LYS A 4 16.663 2.723 -1.139 1.00 51.31 H new ATOM 66 N CYS A 5 12.939 1.215 -4.662 1.00 1.43 N ATOM 67 CA CYS A 5 11.856 2.058 -5.057 1.00 44.21 C ATOM 68 C CYS A 5 12.192 3.514 -4.670 1.00 2.42 C ATOM 69 O CYS A 5 13.313 3.789 -4.228 1.00 22.40 O ATOM 70 CB CYS A 5 10.540 1.577 -4.418 1.00 42.30 C ATOM 71 SG CYS A 5 9.053 2.434 -5.035 1.00 43.24 S ATOM 0 H CYS A 5 13.189 1.282 -3.675 1.00 1.43 H new ATOM 0 HA CYS A 5 11.717 2.011 -6.137 1.00 44.21 H new ATOM 0 HB2 CYS A 5 10.431 0.508 -4.599 1.00 42.30 H new ATOM 0 HB3 CYS A 5 10.602 1.713 -3.338 1.00 42.30 H new ATOM 76 N SER A 6 11.233 4.416 -4.826 1.00 63.01 N ATOM 77 CA SER A 6 11.409 5.847 -4.610 1.00 25.23 C ATOM 78 C SER A 6 11.872 6.212 -3.182 1.00 42.02 C ATOM 79 O SER A 6 12.491 7.257 -2.985 1.00 43.53 O ATOM 80 CB SER A 6 10.098 6.556 -4.932 1.00 40.33 C ATOM 81 OG SER A 6 9.662 6.213 -6.239 1.00 25.02 O ATOM 0 H SER A 6 10.287 4.167 -5.114 1.00 63.01 H new ATOM 0 HA SER A 6 12.209 6.176 -5.274 1.00 25.23 H new ATOM 0 HB2 SER A 6 9.337 6.278 -4.203 1.00 40.33 H new ATOM 0 HB3 SER A 6 10.232 7.635 -4.857 1.00 40.33 H new ATOM 0 HG SER A 6 8.819 6.673 -6.434 1.00 25.02 H new ATOM 87 N ARG A 7 11.598 5.367 -2.202 1.00 51.44 N ATOM 88 CA ARG A 7 11.980 5.701 -0.842 1.00 70.22 C ATOM 89 C ARG A 7 12.498 4.458 -0.101 1.00 20.01 C ATOM 90 O ARG A 7 13.711 4.215 -0.013 1.00 71.04 O ATOM 91 CB ARG A 7 10.766 6.310 -0.086 1.00 72.34 C ATOM 92 CG ARG A 7 11.067 6.903 1.302 1.00 74.14 C ATOM 93 CD ARG A 7 11.802 8.247 1.215 1.00 2.05 C ATOM 94 NE ARG A 7 13.102 8.170 0.536 1.00 62.51 N ATOM 95 CZ ARG A 7 13.584 9.109 -0.298 1.00 33.12 C ATOM 96 NH1 ARG A 7 12.854 10.193 -0.599 1.00 73.42 N ATOM 97 NH2 ARG A 7 14.784 8.961 -0.830 1.00 71.45 N ATOM 0 H ARG A 7 11.126 4.470 -2.317 1.00 51.44 H new ATOM 0 HA ARG A 7 12.784 6.436 -0.878 1.00 70.22 H new ATOM 0 HB2 ARG A 7 10.331 7.093 -0.708 1.00 72.34 H new ATOM 0 HB3 ARG A 7 10.008 5.535 0.028 1.00 72.34 H new ATOM 0 HG2 ARG A 7 10.133 7.037 1.848 1.00 74.14 H new ATOM 0 HG3 ARG A 7 11.671 6.198 1.873 1.00 74.14 H new ATOM 0 HD2 ARG A 7 11.170 8.963 0.689 1.00 2.05 H new ATOM 0 HD3 ARG A 7 11.952 8.634 2.223 1.00 2.05 H new ATOM 0 HE ARG A 7 13.680 7.347 0.709 1.00 62.51 H new ATOM 0 HH11 ARG A 7 11.925 10.311 -0.195 1.00 73.42 H new ATOM 0 HH12 ARG A 7 13.228 10.900 -1.232 1.00 73.42 H new ATOM 0 HH21 ARG A 7 15.342 8.137 -0.608 1.00 71.45 H new ATOM 0 HH22 ARG A 7 15.152 9.671 -1.463 1.00 71.45 H new ATOM 111 N LYS A 8 11.562 3.665 0.363 1.00 34.55 N ATOM 112 CA LYS A 8 11.798 2.466 1.152 1.00 61.34 C ATOM 113 C LYS A 8 10.437 1.892 1.434 1.00 0.14 C ATOM 114 O LYS A 8 10.117 0.770 1.059 1.00 2.32 O ATOM 115 CB LYS A 8 12.469 2.824 2.506 1.00 4.51 C ATOM 116 CG LYS A 8 12.769 1.615 3.412 1.00 52.02 C ATOM 117 CD LYS A 8 13.900 0.717 2.877 1.00 52.21 C ATOM 118 CE LYS A 8 15.313 1.297 3.121 1.00 34.43 C ATOM 119 NZ LYS A 8 15.535 2.635 2.515 1.00 1.32 N ATOM 0 H LYS A 8 10.571 3.840 0.197 1.00 34.55 H new ATOM 0 HA LYS A 8 12.451 1.774 0.620 1.00 61.34 H new ATOM 0 HB2 LYS A 8 13.401 3.352 2.306 1.00 4.51 H new ATOM 0 HB3 LYS A 8 11.821 3.514 3.046 1.00 4.51 H new ATOM 0 HG2 LYS A 8 13.038 1.973 4.406 1.00 52.02 H new ATOM 0 HG3 LYS A 8 11.863 1.019 3.522 1.00 52.02 H new ATOM 0 HD2 LYS A 8 13.831 -0.262 3.350 1.00 52.21 H new ATOM 0 HD3 LYS A 8 13.758 0.565 1.807 1.00 52.21 H new ATOM 0 HE2 LYS A 8 15.486 1.364 4.195 1.00 34.43 H new ATOM 0 HE3 LYS A 8 16.052 0.603 2.722 1.00 34.43 H new ATOM 0 HZ1 LYS A 8 16.553 2.780 2.357 1.00 1.32 H new ATOM 0 HZ2 LYS A 8 15.032 2.692 1.606 1.00 1.32 H new ATOM 0 HZ3 LYS A 8 15.176 3.371 3.157 1.00 1.32 H new ATOM 133 N GLY A 9 9.644 2.717 2.074 1.00 34.32 N ATOM 134 CA GLY A 9 8.298 2.405 2.413 1.00 3.41 C ATOM 135 C GLY A 9 7.774 3.452 3.358 1.00 2.33 C ATOM 136 O GLY A 9 7.930 3.328 4.565 1.00 42.24 O ATOM 0 H GLY A 9 9.936 3.646 2.377 1.00 34.32 H new ATOM 0 HA2 GLY A 9 7.683 2.368 1.514 1.00 3.41 H new ATOM 0 HA3 GLY A 9 8.245 1.420 2.876 1.00 3.41 H new ATOM 140 N PRO A 10 7.197 4.519 2.819 1.00 32.22 N ATOM 141 CA PRO A 10 6.647 5.621 3.616 1.00 42.14 C ATOM 142 C PRO A 10 5.423 5.192 4.426 1.00 62.55 C ATOM 143 O PRO A 10 4.631 4.367 3.974 1.00 32.31 O ATOM 144 CB PRO A 10 6.238 6.677 2.579 1.00 71.11 C ATOM 145 CG PRO A 10 6.697 6.175 1.244 1.00 63.04 C ATOM 146 CD PRO A 10 7.020 4.717 1.392 1.00 10.14 C ATOM 0 HA PRO A 10 7.376 5.983 4.341 1.00 42.14 H new ATOM 0 HB2 PRO A 10 5.158 6.827 2.585 1.00 71.11 H new ATOM 0 HB3 PRO A 10 6.695 7.640 2.807 1.00 71.11 H new ATOM 0 HG2 PRO A 10 5.921 6.321 0.493 1.00 63.04 H new ATOM 0 HG3 PRO A 10 7.574 6.729 0.908 1.00 63.04 H new ATOM 0 HD2 PRO A 10 6.216 4.092 1.003 1.00 10.14 H new ATOM 0 HD3 PRO A 10 7.923 4.454 0.841 1.00 10.14 H new ATOM 154 N LYS A 11 5.269 5.765 5.603 1.00 32.31 N ATOM 155 CA LYS A 11 4.157 5.456 6.483 1.00 71.33 C ATOM 156 C LYS A 11 2.857 6.013 5.909 1.00 22.31 C ATOM 157 O LYS A 11 2.698 7.235 5.723 1.00 62.03 O ATOM 158 CB LYS A 11 4.425 5.993 7.891 1.00 74.24 C ATOM 159 CG LYS A 11 3.315 5.725 8.908 1.00 54.01 C ATOM 160 CD LYS A 11 3.716 6.200 10.306 1.00 53.01 C ATOM 161 CE LYS A 11 4.043 7.692 10.340 1.00 73.54 C ATOM 162 NZ LYS A 11 4.533 8.122 11.662 1.00 22.34 N ATOM 0 H LYS A 11 5.913 6.461 5.978 1.00 32.31 H new ATOM 0 HA LYS A 11 4.053 4.373 6.556 1.00 71.33 H new ATOM 0 HB2 LYS A 11 5.350 5.552 8.261 1.00 74.24 H new ATOM 0 HB3 LYS A 11 4.587 7.069 7.828 1.00 74.24 H new ATOM 0 HG2 LYS A 11 2.403 6.234 8.596 1.00 54.01 H new ATOM 0 HG3 LYS A 11 3.092 4.658 8.934 1.00 54.01 H new ATOM 0 HD2 LYS A 11 2.905 5.992 11.004 1.00 53.01 H new ATOM 0 HD3 LYS A 11 4.583 5.633 10.645 1.00 53.01 H new ATOM 0 HE2 LYS A 11 4.796 7.915 9.584 1.00 73.54 H new ATOM 0 HE3 LYS A 11 3.152 8.264 10.080 1.00 73.54 H new ATOM 0 HZ1 LYS A 11 4.743 9.140 11.640 1.00 22.34 H new ATOM 0 HZ2 LYS A 11 3.805 7.934 12.380 1.00 22.34 H new ATOM 0 HZ3 LYS A 11 5.398 7.596 11.900 1.00 22.34 H new ATOM 176 N ILE A 12 1.962 5.123 5.606 1.00 3.45 N ATOM 177 CA ILE A 12 0.701 5.455 5.003 1.00 72.44 C ATOM 178 C ILE A 12 -0.404 5.120 5.967 1.00 61.21 C ATOM 179 O ILE A 12 -0.260 4.205 6.784 1.00 3.32 O ATOM 180 CB ILE A 12 0.488 4.633 3.704 1.00 75.30 C ATOM 181 CG1 ILE A 12 1.700 4.748 2.802 1.00 35.32 C ATOM 182 CG2 ILE A 12 -0.744 5.129 2.952 1.00 12.43 C ATOM 183 CD1 ILE A 12 1.579 3.943 1.549 1.00 51.41 C ATOM 0 H ILE A 12 2.087 4.125 5.773 1.00 3.45 H new ATOM 0 HA ILE A 12 0.695 6.518 4.761 1.00 72.44 H new ATOM 0 HB ILE A 12 0.342 3.590 3.985 1.00 75.30 H new ATOM 0 HG12 ILE A 12 1.852 5.795 2.540 1.00 35.32 H new ATOM 0 HG13 ILE A 12 2.585 4.425 3.350 1.00 35.32 H new ATOM 0 HG21 ILE A 12 -0.877 4.541 2.044 1.00 12.43 H new ATOM 0 HG22 ILE A 12 -1.624 5.023 3.586 1.00 12.43 H new ATOM 0 HG23 ILE A 12 -0.611 6.178 2.688 1.00 12.43 H new ATOM 0 HD11 ILE A 12 2.479 4.069 0.947 1.00 51.41 H new ATOM 0 HD12 ILE A 12 1.457 2.890 1.803 1.00 51.41 H new ATOM 0 HD13 ILE A 12 0.713 4.282 0.981 1.00 51.41 H new ATOM 195 N ARG A 13 -1.458 5.881 5.930 1.00 20.43 N ATOM 196 CA ARG A 13 -2.614 5.568 6.689 1.00 65.32 C ATOM 197 C ARG A 13 -3.595 4.944 5.728 1.00 61.12 C ATOM 198 O ARG A 13 -3.494 5.157 4.519 1.00 51.31 O ATOM 199 CB ARG A 13 -3.242 6.821 7.279 1.00 73.52 C ATOM 200 CG ARG A 13 -2.311 7.675 8.125 1.00 11.11 C ATOM 201 CD ARG A 13 -3.066 8.849 8.719 1.00 22.22 C ATOM 202 NE ARG A 13 -4.132 8.391 9.623 1.00 14.03 N ATOM 203 CZ ARG A 13 -5.145 9.131 10.074 1.00 63.24 C ATOM 204 NH1 ARG A 13 -5.315 10.373 9.645 1.00 21.31 N ATOM 205 NH2 ARG A 13 -6.008 8.608 10.942 1.00 54.15 N ATOM 0 H ARG A 13 -1.532 6.732 5.372 1.00 20.43 H new ATOM 0 HA ARG A 13 -2.353 4.905 7.514 1.00 65.32 H new ATOM 0 HB2 ARG A 13 -3.629 7.432 6.464 1.00 73.52 H new ATOM 0 HB3 ARG A 13 -4.095 6.527 7.890 1.00 73.52 H new ATOM 0 HG2 ARG A 13 -1.878 7.072 8.923 1.00 11.11 H new ATOM 0 HG3 ARG A 13 -1.484 8.037 7.514 1.00 11.11 H new ATOM 0 HD2 ARG A 13 -2.374 9.492 9.264 1.00 22.22 H new ATOM 0 HD3 ARG A 13 -3.497 9.450 7.919 1.00 22.22 H new ATOM 0 HE ARG A 13 -4.093 7.420 9.933 1.00 14.03 H new ATOM 0 HH11 ARG A 13 -4.668 10.770 8.964 1.00 21.31 H new ATOM 0 HH12 ARG A 13 -6.093 10.932 9.996 1.00 21.31 H new ATOM 0 HH21 ARG A 13 -5.892 7.645 11.259 1.00 54.15 H new ATOM 0 HH22 ARG A 13 -6.785 9.170 11.290 1.00 54.15 H new ATOM 219 N TYR A 14 -4.553 4.215 6.231 1.00 54.42 N ATOM 220 CA TYR A 14 -5.547 3.572 5.374 1.00 52.52 C ATOM 221 C TYR A 14 -6.396 4.660 4.705 1.00 25.14 C ATOM 222 O TYR A 14 -6.958 4.476 3.621 1.00 14.33 O ATOM 223 CB TYR A 14 -6.436 2.652 6.213 1.00 70.30 C ATOM 224 CG TYR A 14 -5.660 1.706 7.109 1.00 21.34 C ATOM 225 CD1 TYR A 14 -4.951 0.626 6.595 1.00 61.34 C ATOM 226 CD2 TYR A 14 -5.624 1.915 8.482 1.00 2.25 C ATOM 227 CE1 TYR A 14 -4.241 -0.212 7.426 1.00 12.11 C ATOM 228 CE2 TYR A 14 -4.914 1.082 9.311 1.00 23.10 C ATOM 229 CZ TYR A 14 -4.226 0.022 8.783 1.00 74.31 C ATOM 230 OH TYR A 14 -3.509 -0.808 9.615 1.00 64.31 O ATOM 0 H TYR A 14 -4.678 4.043 7.229 1.00 54.42 H new ATOM 0 HA TYR A 14 -5.050 2.973 4.611 1.00 52.52 H new ATOM 0 HB2 TYR A 14 -7.096 3.262 6.829 1.00 70.30 H new ATOM 0 HB3 TYR A 14 -7.071 2.068 5.547 1.00 70.30 H new ATOM 0 HD1 TYR A 14 -4.957 0.442 5.531 1.00 61.34 H new ATOM 0 HD2 TYR A 14 -6.165 2.749 8.905 1.00 2.25 H new ATOM 0 HE1 TYR A 14 -3.698 -1.050 7.015 1.00 12.11 H new ATOM 0 HE2 TYR A 14 -4.898 1.262 10.376 1.00 23.10 H new ATOM 0 HH TYR A 14 -3.978 -1.664 9.707 1.00 64.31 H new ATOM 240 N SER A 15 -6.441 5.802 5.358 1.00 52.03 N ATOM 241 CA SER A 15 -7.173 6.960 4.911 1.00 3.45 C ATOM 242 C SER A 15 -6.553 7.594 3.641 1.00 14.30 C ATOM 243 O SER A 15 -7.250 8.286 2.890 1.00 50.24 O ATOM 244 CB SER A 15 -7.196 7.982 6.032 1.00 72.32 C ATOM 245 OG SER A 15 -7.708 7.405 7.233 1.00 43.13 O ATOM 0 H SER A 15 -5.953 5.951 6.241 1.00 52.03 H new ATOM 0 HA SER A 15 -8.183 6.644 4.652 1.00 3.45 H new ATOM 0 HB2 SER A 15 -6.189 8.361 6.206 1.00 72.32 H new ATOM 0 HB3 SER A 15 -7.811 8.834 5.741 1.00 72.32 H new ATOM 0 HG SER A 15 -7.713 8.080 7.944 1.00 43.13 H new ATOM 251 N ASP A 16 -5.259 7.340 3.390 1.00 64.03 N ATOM 252 CA ASP A 16 -4.589 7.929 2.210 1.00 23.43 C ATOM 253 C ASP A 16 -4.864 7.073 1.003 1.00 1.05 C ATOM 254 O ASP A 16 -4.867 7.555 -0.132 1.00 64.31 O ATOM 255 CB ASP A 16 -3.028 7.964 2.343 1.00 73.42 C ATOM 256 CG ASP A 16 -2.435 8.788 3.470 1.00 33.21 C ATOM 257 OD1 ASP A 16 -2.257 10.012 3.304 1.00 41.21 O ATOM 258 OD2 ASP A 16 -2.057 8.196 4.507 1.00 71.30 O ATOM 0 H ASP A 16 -4.665 6.747 3.969 1.00 64.03 H new ATOM 0 HA ASP A 16 -4.976 8.944 2.123 1.00 23.43 H new ATOM 0 HB2 ASP A 16 -2.678 6.938 2.458 1.00 73.42 H new ATOM 0 HB3 ASP A 16 -2.620 8.337 1.404 1.00 73.42 H new ATOM 263 N VAL A 17 -5.116 5.810 1.249 1.00 2.14 N ATOM 264 CA VAL A 17 -5.181 4.818 0.191 1.00 3.20 C ATOM 265 C VAL A 17 -6.529 4.824 -0.524 1.00 50.14 C ATOM 266 O VAL A 17 -7.587 4.709 0.104 1.00 63.00 O ATOM 267 CB VAL A 17 -4.934 3.393 0.745 1.00 54.11 C ATOM 268 CG1 VAL A 17 -4.733 2.393 -0.370 1.00 32.41 C ATOM 269 CG2 VAL A 17 -3.794 3.352 1.749 1.00 24.44 C ATOM 0 H VAL A 17 -5.282 5.437 2.184 1.00 2.14 H new ATOM 0 HA VAL A 17 -4.399 5.086 -0.520 1.00 3.20 H new ATOM 0 HB VAL A 17 -5.835 3.105 1.286 1.00 54.11 H new ATOM 0 HG11 VAL A 17 -4.562 1.404 0.055 1.00 32.41 H new ATOM 0 HG12 VAL A 17 -5.621 2.368 -1.001 1.00 32.41 H new ATOM 0 HG13 VAL A 17 -3.870 2.684 -0.969 1.00 32.41 H new ATOM 0 HG21 VAL A 17 -3.661 2.331 2.107 1.00 24.44 H new ATOM 0 HG22 VAL A 17 -2.875 3.691 1.270 1.00 24.44 H new ATOM 0 HG23 VAL A 17 -4.027 4.005 2.591 1.00 24.44 H new ATOM 279 N LYS A 18 -6.486 4.956 -1.831 1.00 50.10 N ATOM 280 CA LYS A 18 -7.687 4.874 -2.647 1.00 15.43 C ATOM 281 C LYS A 18 -7.780 3.440 -3.129 1.00 23.12 C ATOM 282 O LYS A 18 -8.851 2.841 -3.169 1.00 15.25 O ATOM 283 CB LYS A 18 -7.561 5.828 -3.861 1.00 34.42 C ATOM 284 CG LYS A 18 -8.893 6.204 -4.579 1.00 34.14 C ATOM 285 CD LYS A 18 -9.555 5.047 -5.338 1.00 52.14 C ATOM 286 CE LYS A 18 -8.747 4.608 -6.562 1.00 52.31 C ATOM 287 NZ LYS A 18 -8.650 5.676 -7.590 1.00 70.32 N ATOM 0 H LYS A 18 -5.629 5.122 -2.359 1.00 50.10 H new ATOM 0 HA LYS A 18 -8.573 5.161 -2.081 1.00 15.43 H new ATOM 0 HB2 LYS A 18 -7.080 6.747 -3.526 1.00 34.42 H new ATOM 0 HB3 LYS A 18 -6.896 5.368 -4.591 1.00 34.42 H new ATOM 0 HG2 LYS A 18 -9.596 6.585 -3.838 1.00 34.14 H new ATOM 0 HG3 LYS A 18 -8.697 7.016 -5.279 1.00 34.14 H new ATOM 0 HD2 LYS A 18 -9.678 4.199 -4.665 1.00 52.14 H new ATOM 0 HD3 LYS A 18 -10.553 5.349 -5.655 1.00 52.14 H new ATOM 0 HE2 LYS A 18 -7.744 4.318 -6.247 1.00 52.31 H new ATOM 0 HE3 LYS A 18 -9.210 3.725 -7.002 1.00 52.31 H new ATOM 0 HZ1 LYS A 18 -8.260 5.278 -8.468 1.00 70.32 H new ATOM 0 HZ2 LYS A 18 -9.596 6.066 -7.776 1.00 70.32 H new ATOM 0 HZ3 LYS A 18 -8.025 6.433 -7.246 1.00 70.32 H new ATOM 301 N LYS A 19 -6.617 2.885 -3.409 1.00 12.31 N ATOM 302 CA LYS A 19 -6.461 1.555 -3.957 1.00 21.41 C ATOM 303 C LYS A 19 -5.088 1.050 -3.599 1.00 21.53 C ATOM 304 O LYS A 19 -4.153 1.847 -3.423 1.00 42.31 O ATOM 305 CB LYS A 19 -6.607 1.528 -5.501 1.00 34.40 C ATOM 306 CG LYS A 19 -5.605 2.382 -6.234 1.00 21.24 C ATOM 307 CD LYS A 19 -5.574 2.121 -7.739 1.00 52.30 C ATOM 308 CE LYS A 19 -4.932 0.771 -8.068 1.00 71.31 C ATOM 309 NZ LYS A 19 -4.853 0.530 -9.527 1.00 15.14 N ATOM 0 H LYS A 19 -5.729 3.363 -3.256 1.00 12.31 H new ATOM 0 HA LYS A 19 -7.247 0.927 -3.537 1.00 21.41 H new ATOM 0 HB2 LYS A 19 -6.510 0.498 -5.845 1.00 34.40 H new ATOM 0 HB3 LYS A 19 -7.611 1.859 -5.765 1.00 34.40 H new ATOM 0 HG2 LYS A 19 -5.837 3.433 -6.059 1.00 21.24 H new ATOM 0 HG3 LYS A 19 -4.613 2.201 -5.821 1.00 21.24 H new ATOM 0 HD2 LYS A 19 -6.590 2.146 -8.133 1.00 52.30 H new ATOM 0 HD3 LYS A 19 -5.020 2.918 -8.235 1.00 52.30 H new ATOM 0 HE2 LYS A 19 -3.930 0.733 -7.640 1.00 71.31 H new ATOM 0 HE3 LYS A 19 -5.508 -0.027 -7.600 1.00 71.31 H new ATOM 0 HZ1 LYS A 19 -4.396 -0.388 -9.703 1.00 15.14 H new ATOM 0 HZ2 LYS A 19 -5.812 0.523 -9.930 1.00 15.14 H new ATOM 0 HZ3 LYS A 19 -4.295 1.286 -9.974 1.00 15.14 H new ATOM 323 N LEU A 20 -4.965 -0.225 -3.494 1.00 61.31 N ATOM 324 CA LEU A 20 -3.717 -0.847 -3.179 1.00 70.13 C ATOM 325 C LEU A 20 -3.495 -1.877 -4.248 1.00 23.31 C ATOM 326 O LEU A 20 -4.355 -2.749 -4.454 1.00 20.31 O ATOM 327 CB LEU A 20 -3.834 -1.488 -1.777 1.00 30.43 C ATOM 328 CG LEU A 20 -2.565 -2.050 -1.097 1.00 40.45 C ATOM 329 CD1 LEU A 20 -2.907 -2.423 0.327 1.00 14.11 C ATOM 330 CD2 LEU A 20 -2.017 -3.280 -1.821 1.00 41.33 C ATOM 0 H LEU A 20 -5.736 -0.880 -3.625 1.00 61.31 H new ATOM 0 HA LEU A 20 -2.879 -0.150 -3.152 1.00 70.13 H new ATOM 0 HB2 LEU A 20 -4.260 -0.740 -1.109 1.00 30.43 H new ATOM 0 HB3 LEU A 20 -4.556 -2.301 -1.847 1.00 30.43 H new ATOM 0 HG LEU A 20 -1.794 -1.280 -1.129 1.00 40.45 H new ATOM 0 HD11 LEU A 20 -2.021 -2.822 0.821 1.00 14.11 H new ATOM 0 HD12 LEU A 20 -3.254 -1.539 0.862 1.00 14.11 H new ATOM 0 HD13 LEU A 20 -3.693 -3.178 0.327 1.00 14.11 H new ATOM 0 HD21 LEU A 20 -1.126 -3.638 -1.306 1.00 41.33 H new ATOM 0 HD22 LEU A 20 -2.773 -4.065 -1.827 1.00 41.33 H new ATOM 0 HD23 LEU A 20 -1.761 -3.014 -2.847 1.00 41.33 H new ATOM 342 N GLU A 21 -2.395 -1.784 -4.948 1.00 54.11 N ATOM 343 CA GLU A 21 -2.146 -2.684 -6.013 1.00 24.42 C ATOM 344 C GLU A 21 -0.844 -3.384 -5.748 1.00 34.24 C ATOM 345 O GLU A 21 0.153 -2.741 -5.432 1.00 14.03 O ATOM 346 CB GLU A 21 -2.094 -1.893 -7.323 1.00 2.13 C ATOM 347 CG GLU A 21 -1.962 -2.726 -8.580 1.00 34.05 C ATOM 348 CD GLU A 21 -1.972 -1.869 -9.814 1.00 51.33 C ATOM 349 OE1 GLU A 21 -3.054 -1.347 -10.173 1.00 71.33 O ATOM 350 OE2 GLU A 21 -0.919 -1.701 -10.454 1.00 2.45 O ATOM 0 H GLU A 21 -1.665 -1.090 -4.790 1.00 54.11 H new ATOM 0 HA GLU A 21 -2.936 -3.431 -6.092 1.00 24.42 H new ATOM 0 HB2 GLU A 21 -2.999 -1.291 -7.400 1.00 2.13 H new ATOM 0 HB3 GLU A 21 -1.253 -1.201 -7.276 1.00 2.13 H new ATOM 0 HG2 GLU A 21 -1.036 -3.299 -8.542 1.00 34.05 H new ATOM 0 HG3 GLU A 21 -2.780 -3.445 -8.629 1.00 34.05 H new ATOM 357 N MET A 22 -0.838 -4.680 -5.841 1.00 33.11 N ATOM 358 CA MET A 22 0.376 -5.386 -5.634 1.00 62.13 C ATOM 359 C MET A 22 0.985 -5.772 -6.959 1.00 65.31 C ATOM 360 O MET A 22 0.442 -6.590 -7.711 1.00 30.15 O ATOM 361 CB MET A 22 0.159 -6.614 -4.724 1.00 52.45 C ATOM 362 CG MET A 22 -0.901 -7.606 -5.207 1.00 10.14 C ATOM 363 SD MET A 22 -1.100 -9.033 -4.110 1.00 30.32 S ATOM 364 CE MET A 22 -1.550 -8.230 -2.569 1.00 52.21 C ATOM 0 H MET A 22 -1.651 -5.257 -6.056 1.00 33.11 H new ATOM 0 HA MET A 22 1.077 -4.730 -5.119 1.00 62.13 H new ATOM 0 HB2 MET A 22 1.107 -7.142 -4.622 1.00 52.45 H new ATOM 0 HB3 MET A 22 -0.120 -6.264 -3.730 1.00 52.45 H new ATOM 0 HG2 MET A 22 -1.857 -7.090 -5.298 1.00 10.14 H new ATOM 0 HG3 MET A 22 -0.633 -7.957 -6.203 1.00 10.14 H new ATOM 0 HE1 MET A 22 -2.025 -8.954 -1.907 1.00 52.21 H new ATOM 0 HE2 MET A 22 -0.655 -7.833 -2.091 1.00 52.21 H new ATOM 0 HE3 MET A 22 -2.244 -7.415 -2.773 1.00 52.21 H new ATOM 374 N LYS A 23 2.083 -5.144 -7.252 1.00 15.04 N ATOM 375 CA LYS A 23 2.866 -5.416 -8.414 1.00 11.04 C ATOM 376 C LYS A 23 4.268 -4.887 -8.199 1.00 65.25 C ATOM 377 O LYS A 23 4.437 -3.807 -7.637 1.00 50.44 O ATOM 378 CB LYS A 23 2.167 -4.945 -9.740 1.00 10.41 C ATOM 379 CG LYS A 23 1.807 -3.459 -9.890 1.00 13.44 C ATOM 380 CD LYS A 23 2.995 -2.587 -10.270 1.00 74.24 C ATOM 381 CE LYS A 23 2.564 -1.142 -10.517 1.00 42.52 C ATOM 382 NZ LYS A 23 1.484 -1.047 -11.517 1.00 72.52 N ATOM 0 H LYS A 23 2.470 -4.403 -6.667 1.00 15.04 H new ATOM 0 HA LYS A 23 2.952 -6.493 -8.558 1.00 11.04 H new ATOM 0 HB2 LYS A 23 2.818 -5.214 -10.572 1.00 10.41 H new ATOM 0 HB3 LYS A 23 1.249 -5.522 -9.854 1.00 10.41 H new ATOM 0 HG2 LYS A 23 1.031 -3.355 -10.649 1.00 13.44 H new ATOM 0 HG3 LYS A 23 1.386 -3.098 -8.952 1.00 13.44 H new ATOM 0 HD2 LYS A 23 3.740 -2.616 -9.475 1.00 74.24 H new ATOM 0 HD3 LYS A 23 3.470 -2.986 -11.166 1.00 74.24 H new ATOM 0 HE2 LYS A 23 2.229 -0.699 -9.579 1.00 42.52 H new ATOM 0 HE3 LYS A 23 3.422 -0.561 -10.855 1.00 42.52 H new ATOM 0 HZ1 LYS A 23 1.517 -0.114 -11.976 1.00 72.52 H new ATOM 0 HZ2 LYS A 23 1.608 -1.790 -12.234 1.00 72.52 H new ATOM 0 HZ3 LYS A 23 0.564 -1.169 -11.047 1.00 72.52 H new ATOM 396 N PRO A 24 5.286 -5.649 -8.574 1.00 40.13 N ATOM 397 CA PRO A 24 6.674 -5.258 -8.360 1.00 71.21 C ATOM 398 C PRO A 24 7.078 -4.016 -9.172 1.00 41.44 C ATOM 399 O PRO A 24 6.632 -3.829 -10.306 1.00 73.11 O ATOM 400 CB PRO A 24 7.459 -6.494 -8.809 1.00 63.43 C ATOM 401 CG PRO A 24 6.556 -7.187 -9.766 1.00 42.41 C ATOM 402 CD PRO A 24 5.175 -6.956 -9.250 1.00 4.03 C ATOM 0 HA PRO A 24 6.863 -4.972 -7.325 1.00 71.21 H new ATOM 0 HB2 PRO A 24 8.400 -6.215 -9.283 1.00 63.43 H new ATOM 0 HB3 PRO A 24 7.706 -7.135 -7.963 1.00 63.43 H new ATOM 0 HG2 PRO A 24 6.670 -6.787 -10.773 1.00 42.41 H new ATOM 0 HG3 PRO A 24 6.782 -8.252 -9.818 1.00 42.41 H new ATOM 0 HD2 PRO A 24 4.442 -6.932 -10.056 1.00 4.03 H new ATOM 0 HD3 PRO A 24 4.865 -7.742 -8.561 1.00 4.03 H new ATOM 410 N LYS A 25 7.922 -3.164 -8.564 1.00 24.20 N ATOM 411 CA LYS A 25 8.421 -1.935 -9.214 1.00 11.33 C ATOM 412 C LYS A 25 9.250 -2.371 -10.440 1.00 11.43 C ATOM 413 O LYS A 25 9.306 -1.698 -11.461 1.00 1.02 O ATOM 414 CB LYS A 25 9.260 -1.125 -8.175 1.00 4.20 C ATOM 415 CG LYS A 25 9.526 0.353 -8.493 1.00 13.33 C ATOM 416 CD LYS A 25 10.582 0.534 -9.550 1.00 34.43 C ATOM 417 CE LYS A 25 10.743 2.003 -9.936 1.00 33.22 C ATOM 418 NZ LYS A 25 11.814 2.217 -10.944 1.00 14.55 N ATOM 0 H LYS A 25 8.276 -3.304 -7.618 1.00 24.20 H new ATOM 0 HA LYS A 25 7.616 -1.284 -9.554 1.00 11.33 H new ATOM 0 HB2 LYS A 25 8.750 -1.178 -7.213 1.00 4.20 H new ATOM 0 HB3 LYS A 25 10.222 -1.624 -8.054 1.00 4.20 H new ATOM 0 HG2 LYS A 25 8.600 0.822 -8.825 1.00 13.33 H new ATOM 0 HG3 LYS A 25 9.835 0.867 -7.583 1.00 13.33 H new ATOM 0 HD2 LYS A 25 11.533 0.146 -9.185 1.00 34.43 H new ATOM 0 HD3 LYS A 25 10.318 -0.048 -10.433 1.00 34.43 H new ATOM 0 HE2 LYS A 25 9.798 2.376 -10.331 1.00 33.22 H new ATOM 0 HE3 LYS A 25 10.968 2.586 -9.043 1.00 33.22 H new ATOM 0 HZ1 LYS A 25 12.387 3.041 -10.672 1.00 14.55 H new ATOM 0 HZ2 LYS A 25 12.421 1.374 -10.990 1.00 14.55 H new ATOM 0 HZ3 LYS A 25 11.385 2.386 -11.876 1.00 14.55 H new ATOM 432 N TYR A 26 9.874 -3.521 -10.294 1.00 71.44 N ATOM 433 CA TYR A 26 10.539 -4.221 -11.361 1.00 51.42 C ATOM 434 C TYR A 26 10.009 -5.625 -11.371 1.00 11.43 C ATOM 435 O TYR A 26 10.050 -6.279 -10.346 1.00 2.05 O ATOM 436 CB TYR A 26 12.061 -4.275 -11.148 1.00 24.12 C ATOM 437 CG TYR A 26 12.779 -2.995 -11.418 1.00 45.13 C ATOM 438 CD1 TYR A 26 13.234 -2.716 -12.695 1.00 0.12 C ATOM 439 CD2 TYR A 26 13.012 -2.073 -10.422 1.00 44.24 C ATOM 440 CE1 TYR A 26 13.899 -1.549 -12.974 1.00 54.50 C ATOM 441 CE2 TYR A 26 13.674 -0.899 -10.689 1.00 42.11 C ATOM 442 CZ TYR A 26 14.114 -0.641 -11.967 1.00 13.24 C ATOM 443 OH TYR A 26 14.768 0.533 -12.238 1.00 65.13 O ATOM 0 H TYR A 26 9.931 -4.006 -9.398 1.00 71.44 H new ATOM 0 HA TYR A 26 10.351 -3.700 -12.300 1.00 51.42 H new ATOM 0 HB2 TYR A 26 12.259 -4.576 -10.119 1.00 24.12 H new ATOM 0 HB3 TYR A 26 12.476 -5.050 -11.792 1.00 24.12 H new ATOM 0 HD1 TYR A 26 13.062 -3.430 -13.487 1.00 0.12 H new ATOM 0 HD2 TYR A 26 12.670 -2.275 -9.418 1.00 44.24 H new ATOM 0 HE1 TYR A 26 14.250 -1.347 -13.975 1.00 54.50 H new ATOM 0 HE2 TYR A 26 13.848 -0.182 -9.900 1.00 42.11 H new ATOM 0 HH TYR A 26 14.838 1.065 -11.418 1.00 65.13 H new ATOM 453 N PRO A 27 9.506 -6.116 -12.515 1.00 71.21 N ATOM 454 CA PRO A 27 8.990 -7.500 -12.640 1.00 63.22 C ATOM 455 C PRO A 27 10.026 -8.558 -12.234 1.00 43.21 C ATOM 456 O PRO A 27 9.672 -9.666 -11.827 1.00 41.12 O ATOM 457 CB PRO A 27 8.660 -7.621 -14.126 1.00 22.50 C ATOM 458 CG PRO A 27 8.401 -6.224 -14.568 1.00 60.44 C ATOM 459 CD PRO A 27 9.328 -5.356 -13.765 1.00 62.21 C ATOM 0 HA PRO A 27 8.139 -7.674 -11.981 1.00 63.22 H new ATOM 0 HB2 PRO A 27 9.486 -8.065 -14.681 1.00 22.50 H new ATOM 0 HB3 PRO A 27 7.789 -8.256 -14.288 1.00 22.50 H new ATOM 0 HG2 PRO A 27 8.589 -6.112 -15.636 1.00 60.44 H new ATOM 0 HG3 PRO A 27 7.361 -5.947 -14.396 1.00 60.44 H new ATOM 0 HD2 PRO A 27 10.277 -5.198 -14.278 1.00 62.21 H new ATOM 0 HD3 PRO A 27 8.898 -4.372 -13.580 1.00 62.21 H new ATOM 467 N HIS A 28 11.301 -8.186 -12.309 1.00 20.54 N ATOM 468 CA HIS A 28 12.409 -9.067 -11.925 1.00 54.23 C ATOM 469 C HIS A 28 12.653 -9.051 -10.391 1.00 51.20 C ATOM 470 O HIS A 28 13.744 -9.367 -9.934 1.00 33.32 O ATOM 471 CB HIS A 28 13.730 -8.689 -12.676 1.00 71.31 C ATOM 472 CG HIS A 28 14.327 -7.333 -12.347 1.00 12.31 C ATOM 473 ND1 HIS A 28 15.019 -7.089 -11.191 1.00 74.54 N ATOM 474 CD2 HIS A 28 14.353 -6.160 -13.037 1.00 71.15 C ATOM 475 CE1 HIS A 28 15.435 -5.852 -11.180 1.00 52.22 C ATOM 476 NE2 HIS A 28 15.056 -5.266 -12.283 1.00 32.45 N ATOM 0 H HIS A 28 11.599 -7.267 -12.637 1.00 20.54 H new ATOM 0 HA HIS A 28 12.119 -10.076 -12.216 1.00 54.23 H new ATOM 0 HB2 HIS A 28 14.477 -9.453 -12.460 1.00 71.31 H new ATOM 0 HB3 HIS A 28 13.537 -8.727 -13.748 1.00 71.31 H new ATOM 0 HD1 HIS A 28 15.184 -7.771 -10.451 1.00 74.54 H new ATOM 0 HD2 HIS A 28 13.902 -5.972 -14.000 1.00 71.15 H new ATOM 0 HE1 HIS A 28 16.002 -5.388 -10.386 1.00 52.22 H new ATOM 0 HE2 HIS A 28 15.253 -4.299 -12.539 1.00 32.45 H new ATOM 485 N CYS A 29 11.639 -8.750 -9.619 1.00 64.43 N ATOM 486 CA CYS A 29 11.797 -8.672 -8.173 1.00 62.01 C ATOM 487 C CYS A 29 11.083 -9.850 -7.528 1.00 41.35 C ATOM 488 O CYS A 29 10.110 -10.383 -8.087 1.00 63.25 O ATOM 489 CB CYS A 29 11.188 -7.344 -7.672 1.00 1.14 C ATOM 490 SG CYS A 29 11.290 -7.038 -5.874 1.00 41.44 S ATOM 0 H CYS A 29 10.697 -8.554 -9.957 1.00 64.43 H new ATOM 0 HA CYS A 29 12.854 -8.707 -7.908 1.00 62.01 H new ATOM 0 HB2 CYS A 29 11.685 -6.523 -8.188 1.00 1.14 H new ATOM 0 HB3 CYS A 29 10.139 -7.316 -7.965 1.00 1.14 H new ATOM 495 N GLU A 30 11.583 -10.288 -6.392 1.00 41.34 N ATOM 496 CA GLU A 30 10.979 -11.372 -5.663 1.00 62.20 C ATOM 497 C GLU A 30 9.925 -10.788 -4.734 1.00 3.10 C ATOM 498 O GLU A 30 10.221 -9.840 -3.979 1.00 31.13 O ATOM 499 CB GLU A 30 12.106 -12.170 -4.943 1.00 40.20 C ATOM 500 CG GLU A 30 11.717 -13.429 -4.185 1.00 2.15 C ATOM 501 CD GLU A 30 11.096 -13.173 -2.841 1.00 13.24 C ATOM 502 OE1 GLU A 30 11.831 -12.788 -1.908 1.00 5.02 O ATOM 503 OE2 GLU A 30 9.887 -13.377 -2.669 1.00 53.35 O ATOM 0 H GLU A 30 12.418 -9.901 -5.952 1.00 41.34 H new ATOM 0 HA GLU A 30 10.465 -12.084 -6.309 1.00 62.20 H new ATOM 0 HB2 GLU A 30 12.849 -12.447 -5.691 1.00 40.20 H new ATOM 0 HB3 GLU A 30 12.596 -11.496 -4.241 1.00 40.20 H new ATOM 0 HG2 GLU A 30 11.017 -14.003 -4.792 1.00 2.15 H new ATOM 0 HG3 GLU A 30 12.605 -14.047 -4.051 1.00 2.15 H new ATOM 510 N GLU A 31 8.729 -11.372 -4.770 1.00 74.05 N ATOM 511 CA GLU A 31 7.545 -10.907 -4.031 1.00 71.14 C ATOM 512 C GLU A 31 6.957 -9.645 -4.692 1.00 55.11 C ATOM 513 O GLU A 31 7.672 -8.859 -5.328 1.00 54.32 O ATOM 514 CB GLU A 31 7.838 -10.680 -2.538 1.00 44.24 C ATOM 515 CG GLU A 31 6.629 -10.362 -1.691 1.00 13.34 C ATOM 516 CD GLU A 31 5.635 -11.484 -1.709 1.00 33.51 C ATOM 517 OE1 GLU A 31 5.796 -12.441 -0.917 1.00 12.11 O ATOM 518 OE2 GLU A 31 4.691 -11.439 -2.522 1.00 22.30 O ATOM 0 H GLU A 31 8.546 -12.206 -5.328 1.00 74.05 H new ATOM 0 HA GLU A 31 6.798 -11.699 -4.079 1.00 71.14 H new ATOM 0 HB2 GLU A 31 8.319 -11.573 -2.138 1.00 44.24 H new ATOM 0 HB3 GLU A 31 8.554 -9.863 -2.444 1.00 44.24 H new ATOM 0 HG2 GLU A 31 6.943 -10.169 -0.665 1.00 13.34 H new ATOM 0 HG3 GLU A 31 6.157 -9.450 -2.057 1.00 13.34 H new ATOM 525 N LYS A 32 5.671 -9.462 -4.553 1.00 63.01 N ATOM 526 CA LYS A 32 4.999 -8.349 -5.179 1.00 24.34 C ATOM 527 C LYS A 32 5.083 -7.122 -4.305 1.00 12.31 C ATOM 528 O LYS A 32 4.831 -7.183 -3.097 1.00 70.31 O ATOM 529 CB LYS A 32 3.549 -8.707 -5.478 1.00 62.53 C ATOM 530 CG LYS A 32 3.419 -9.988 -6.274 1.00 14.33 C ATOM 531 CD LYS A 32 4.128 -9.902 -7.607 1.00 33.34 C ATOM 532 CE LYS A 32 4.146 -11.240 -8.325 1.00 64.35 C ATOM 533 NZ LYS A 32 4.924 -12.268 -7.588 1.00 65.11 N ATOM 0 H LYS A 32 5.062 -10.073 -4.008 1.00 63.01 H new ATOM 0 HA LYS A 32 5.497 -8.126 -6.123 1.00 24.34 H new ATOM 0 HB2 LYS A 32 3.003 -8.809 -4.540 1.00 62.53 H new ATOM 0 HB3 LYS A 32 3.084 -7.891 -6.031 1.00 62.53 H new ATOM 0 HG2 LYS A 32 3.831 -10.816 -5.697 1.00 14.33 H new ATOM 0 HG3 LYS A 32 2.364 -10.207 -6.438 1.00 14.33 H new ATOM 0 HD2 LYS A 32 3.634 -9.160 -8.234 1.00 33.34 H new ATOM 0 HD3 LYS A 32 5.151 -9.559 -7.453 1.00 33.34 H new ATOM 0 HE2 LYS A 32 3.123 -11.590 -8.460 1.00 64.35 H new ATOM 0 HE3 LYS A 32 4.572 -11.110 -9.320 1.00 64.35 H new ATOM 0 HZ1 LYS A 32 5.152 -13.055 -8.228 1.00 65.11 H new ATOM 0 HZ2 LYS A 32 5.805 -11.846 -7.230 1.00 65.11 H new ATOM 0 HZ3 LYS A 32 4.361 -12.623 -6.789 1.00 65.11 H new ATOM 547 N MET A 33 5.431 -6.022 -4.924 1.00 45.44 N ATOM 548 CA MET A 33 5.610 -4.773 -4.246 1.00 50.34 C ATOM 549 C MET A 33 4.261 -4.160 -3.972 1.00 32.11 C ATOM 550 O MET A 33 3.268 -4.473 -4.640 1.00 43.13 O ATOM 551 CB MET A 33 6.432 -3.848 -5.129 1.00 44.51 C ATOM 552 CG MET A 33 6.814 -2.516 -4.532 1.00 44.22 C ATOM 553 SD MET A 33 7.993 -2.650 -3.165 1.00 15.22 S ATOM 554 CE MET A 33 9.413 -3.380 -3.987 1.00 64.14 C ATOM 0 H MET A 33 5.599 -5.974 -5.929 1.00 45.44 H new ATOM 0 HA MET A 33 6.130 -4.928 -3.301 1.00 50.34 H new ATOM 0 HB2 MET A 33 7.346 -4.370 -5.413 1.00 44.51 H new ATOM 0 HB3 MET A 33 5.872 -3.664 -6.046 1.00 44.51 H new ATOM 0 HG2 MET A 33 7.244 -1.887 -5.312 1.00 44.22 H new ATOM 0 HG3 MET A 33 5.914 -2.014 -4.177 1.00 44.22 H new ATOM 0 HE1 MET A 33 10.312 -3.185 -3.402 1.00 64.14 H new ATOM 0 HE2 MET A 33 9.267 -4.456 -4.079 1.00 64.14 H new ATOM 0 HE3 MET A 33 9.523 -2.943 -4.979 1.00 64.14 H new ATOM 564 N VAL A 34 4.234 -3.301 -3.030 1.00 4.22 N ATOM 565 CA VAL A 34 3.015 -2.670 -2.609 1.00 13.34 C ATOM 566 C VAL A 34 2.917 -1.282 -3.193 1.00 21.13 C ATOM 567 O VAL A 34 3.691 -0.391 -2.831 1.00 54.42 O ATOM 568 CB VAL A 34 2.935 -2.590 -1.076 1.00 4.34 C ATOM 569 CG1 VAL A 34 1.666 -1.874 -0.635 1.00 32.10 C ATOM 570 CG2 VAL A 34 3.015 -3.980 -0.466 1.00 10.14 C ATOM 0 H VAL A 34 5.060 -3.001 -2.513 1.00 4.22 H new ATOM 0 HA VAL A 34 2.183 -3.275 -2.969 1.00 13.34 H new ATOM 0 HB VAL A 34 3.786 -2.011 -0.718 1.00 4.34 H new ATOM 0 HG11 VAL A 34 1.633 -1.830 0.454 1.00 32.10 H new ATOM 0 HG12 VAL A 34 1.660 -0.862 -1.039 1.00 32.10 H new ATOM 0 HG13 VAL A 34 0.795 -2.417 -1.003 1.00 32.10 H new ATOM 0 HG21 VAL A 34 2.957 -3.905 0.620 1.00 10.14 H new ATOM 0 HG22 VAL A 34 2.187 -4.586 -0.833 1.00 10.14 H new ATOM 0 HG23 VAL A 34 3.959 -4.447 -0.747 1.00 10.14 H new ATOM 580 N ILE A 35 1.994 -1.104 -4.095 1.00 1.13 N ATOM 581 CA ILE A 35 1.791 0.170 -4.731 1.00 22.15 C ATOM 582 C ILE A 35 0.558 0.794 -4.161 1.00 61.02 C ATOM 583 O ILE A 35 -0.537 0.210 -4.223 1.00 61.21 O ATOM 584 CB ILE A 35 1.583 0.009 -6.238 1.00 34.22 C ATOM 585 CG1 ILE A 35 2.700 -0.849 -6.830 1.00 12.13 C ATOM 586 CG2 ILE A 35 1.505 1.381 -6.921 1.00 74.21 C ATOM 587 CD1 ILE A 35 4.104 -0.272 -6.691 1.00 40.43 C ATOM 0 H ILE A 35 1.360 -1.837 -4.412 1.00 1.13 H new ATOM 0 HA ILE A 35 2.673 0.787 -4.557 1.00 22.15 H new ATOM 0 HB ILE A 35 0.635 -0.499 -6.415 1.00 34.22 H new ATOM 0 HG12 ILE A 35 2.678 -1.828 -6.351 1.00 12.13 H new ATOM 0 HG13 ILE A 35 2.493 -1.008 -7.888 1.00 12.13 H new ATOM 0 HG21 ILE A 35 1.357 1.246 -7.992 1.00 74.21 H new ATOM 0 HG22 ILE A 35 0.670 1.946 -6.508 1.00 74.21 H new ATOM 0 HG23 ILE A 35 2.433 1.926 -6.749 1.00 74.21 H new ATOM 0 HD11 ILE A 35 4.824 -0.955 -7.142 1.00 40.43 H new ATOM 0 HD12 ILE A 35 4.153 0.692 -7.197 1.00 40.43 H new ATOM 0 HD13 ILE A 35 4.340 -0.141 -5.635 1.00 40.43 H new ATOM 599 N ILE A 36 0.707 1.944 -3.603 1.00 12.42 N ATOM 600 CA ILE A 36 -0.395 2.611 -3.021 1.00 2.32 C ATOM 601 C ILE A 36 -0.710 3.925 -3.667 1.00 61.41 C ATOM 602 O ILE A 36 0.083 4.879 -3.643 1.00 1.33 O ATOM 603 CB ILE A 36 -0.309 2.689 -1.489 1.00 20.30 C ATOM 604 CG1 ILE A 36 -0.584 1.290 -0.927 1.00 41.02 C ATOM 605 CG2 ILE A 36 -1.250 3.745 -0.909 1.00 44.20 C ATOM 606 CD1 ILE A 36 -0.570 1.197 0.557 1.00 55.43 C ATOM 0 H ILE A 36 1.594 2.444 -3.539 1.00 12.42 H new ATOM 0 HA ILE A 36 -1.259 1.981 -3.234 1.00 2.32 H new ATOM 0 HB ILE A 36 0.690 3.009 -1.194 1.00 20.30 H new ATOM 0 HG12 ILE A 36 -1.556 0.954 -1.288 1.00 41.02 H new ATOM 0 HG13 ILE A 36 0.160 0.601 -1.327 1.00 41.02 H new ATOM 0 HG21 ILE A 36 -1.153 3.762 0.177 1.00 44.20 H new ATOM 0 HG22 ILE A 36 -0.991 4.724 -1.312 1.00 44.20 H new ATOM 0 HG23 ILE A 36 -2.278 3.503 -1.177 1.00 44.20 H new ATOM 0 HD11 ILE A 36 -0.774 0.170 0.859 1.00 55.43 H new ATOM 0 HD12 ILE A 36 0.409 1.497 0.931 1.00 55.43 H new ATOM 0 HD13 ILE A 36 -1.334 1.856 0.970 1.00 55.43 H new ATOM 618 N THR A 37 -1.877 3.958 -4.211 1.00 12.51 N ATOM 619 CA THR A 37 -2.411 5.080 -4.897 1.00 42.34 C ATOM 620 C THR A 37 -3.277 5.850 -3.917 1.00 44.30 C ATOM 621 O THR A 37 -4.172 5.271 -3.275 1.00 42.33 O ATOM 622 CB THR A 37 -3.287 4.554 -6.026 1.00 1.45 C ATOM 623 OG1 THR A 37 -2.518 3.726 -6.911 1.00 13.02 O ATOM 624 CG2 THR A 37 -3.991 5.647 -6.805 1.00 70.24 C ATOM 0 H THR A 37 -2.515 3.163 -4.187 1.00 12.51 H new ATOM 0 HA THR A 37 -1.624 5.722 -5.293 1.00 42.34 H new ATOM 0 HB THR A 37 -4.070 3.961 -5.555 1.00 1.45 H new ATOM 0 HG1 THR A 37 -2.977 3.655 -7.774 1.00 13.02 H new ATOM 0 HG21 THR A 37 -4.597 5.200 -7.593 1.00 70.24 H new ATOM 0 HG22 THR A 37 -4.633 6.217 -6.133 1.00 70.24 H new ATOM 0 HG23 THR A 37 -3.250 6.312 -7.250 1.00 70.24 H new ATOM 632 N THR A 38 -3.013 7.117 -3.779 1.00 23.21 N ATOM 633 CA THR A 38 -3.735 7.915 -2.838 1.00 4.01 C ATOM 634 C THR A 38 -5.064 8.422 -3.413 1.00 52.01 C ATOM 635 O THR A 38 -5.248 8.441 -4.635 1.00 70.31 O ATOM 636 CB THR A 38 -2.863 9.049 -2.284 1.00 10.14 C ATOM 637 OG1 THR A 38 -2.374 9.884 -3.358 1.00 71.21 O ATOM 638 CG2 THR A 38 -1.674 8.467 -1.508 1.00 53.45 C ATOM 0 H THR A 38 -2.300 7.619 -4.309 1.00 23.21 H new ATOM 0 HA THR A 38 -3.995 7.274 -1.996 1.00 4.01 H new ATOM 0 HB THR A 38 -3.473 9.655 -1.614 1.00 10.14 H new ATOM 0 HG1 THR A 38 -2.162 10.775 -3.009 1.00 71.21 H new ATOM 0 HG21 THR A 38 -1.061 9.280 -1.119 1.00 53.45 H new ATOM 0 HG22 THR A 38 -2.042 7.861 -0.680 1.00 53.45 H new ATOM 0 HG23 THR A 38 -1.074 7.846 -2.173 1.00 53.45 H new ATOM 646 N LYS A 39 -5.971 8.831 -2.530 1.00 71.41 N ATOM 647 CA LYS A 39 -7.352 9.178 -2.903 1.00 25.03 C ATOM 648 C LYS A 39 -7.450 10.343 -3.899 1.00 23.31 C ATOM 649 O LYS A 39 -8.107 10.201 -4.928 1.00 61.43 O ATOM 650 CB LYS A 39 -8.160 9.438 -1.629 1.00 5.22 C ATOM 651 CG LYS A 39 -9.653 9.560 -1.837 1.00 62.34 C ATOM 652 CD LYS A 39 -10.362 9.693 -0.502 1.00 72.32 C ATOM 653 CE LYS A 39 -11.865 9.674 -0.673 1.00 63.20 C ATOM 654 NZ LYS A 39 -12.569 9.770 0.620 1.00 3.33 N ATOM 0 H LYS A 39 -5.776 8.933 -1.534 1.00 71.41 H new ATOM 0 HA LYS A 39 -7.777 8.329 -3.439 1.00 25.03 H new ATOM 0 HB2 LYS A 39 -7.971 8.628 -0.924 1.00 5.22 H new ATOM 0 HB3 LYS A 39 -7.796 10.355 -1.166 1.00 5.22 H new ATOM 0 HG2 LYS A 39 -9.870 10.428 -2.460 1.00 62.34 H new ATOM 0 HG3 LYS A 39 -10.026 8.684 -2.369 1.00 62.34 H new ATOM 0 HD2 LYS A 39 -10.058 8.879 0.156 1.00 72.32 H new ATOM 0 HD3 LYS A 39 -10.061 10.622 -0.019 1.00 72.32 H new ATOM 0 HE2 LYS A 39 -12.168 10.503 -1.313 1.00 63.20 H new ATOM 0 HE3 LYS A 39 -12.161 8.755 -1.180 1.00 63.20 H new ATOM 0 HZ1 LYS A 39 -13.596 9.754 0.458 1.00 3.33 H new ATOM 0 HZ2 LYS A 39 -12.300 8.966 1.222 1.00 3.33 H new ATOM 0 HZ3 LYS A 39 -12.307 10.659 1.093 1.00 3.33 H new ATOM 668 N SER A 40 -6.753 11.440 -3.619 1.00 33.42 N ATOM 669 CA SER A 40 -6.667 12.649 -4.490 1.00 13.43 C ATOM 670 C SER A 40 -5.714 13.648 -3.845 1.00 11.20 C ATOM 671 O SER A 40 -4.546 13.787 -4.250 1.00 60.02 O ATOM 672 CB SER A 40 -8.051 13.357 -4.720 1.00 22.32 C ATOM 673 OG SER A 40 -8.986 12.539 -5.404 1.00 14.33 O ATOM 0 H SER A 40 -6.211 11.534 -2.760 1.00 33.42 H new ATOM 0 HA SER A 40 -6.313 12.314 -5.465 1.00 13.43 H new ATOM 0 HB2 SER A 40 -8.468 13.648 -3.756 1.00 22.32 H new ATOM 0 HB3 SER A 40 -7.894 14.273 -5.289 1.00 22.32 H new ATOM 0 HG SER A 40 -8.580 11.668 -5.595 1.00 14.33 H new ATOM 679 N VAL A 41 -6.202 14.300 -2.813 1.00 12.24 N ATOM 680 CA VAL A 41 -5.445 15.263 -2.070 1.00 63.51 C ATOM 681 C VAL A 41 -4.909 14.561 -0.852 1.00 73.41 C ATOM 682 O VAL A 41 -5.632 14.338 0.122 1.00 75.14 O ATOM 683 CB VAL A 41 -6.316 16.478 -1.636 1.00 62.04 C ATOM 684 CG1 VAL A 41 -5.485 17.508 -0.878 1.00 61.45 C ATOM 685 CG2 VAL A 41 -6.989 17.118 -2.843 1.00 33.04 C ATOM 0 H VAL A 41 -7.152 14.168 -2.467 1.00 12.24 H new ATOM 0 HA VAL A 41 -4.643 15.656 -2.695 1.00 63.51 H new ATOM 0 HB VAL A 41 -7.091 16.109 -0.964 1.00 62.04 H new ATOM 0 HG11 VAL A 41 -6.120 18.345 -0.588 1.00 61.45 H new ATOM 0 HG12 VAL A 41 -5.061 17.048 0.014 1.00 61.45 H new ATOM 0 HG13 VAL A 41 -4.680 17.868 -1.518 1.00 61.45 H new ATOM 0 HG21 VAL A 41 -7.593 17.965 -2.516 1.00 33.04 H new ATOM 0 HG22 VAL A 41 -6.228 17.463 -3.543 1.00 33.04 H new ATOM 0 HG23 VAL A 41 -7.629 16.385 -3.334 1.00 33.04 H new ATOM 695 N SER A 42 -3.689 14.161 -0.932 1.00 31.41 N ATOM 696 CA SER A 42 -3.085 13.404 0.105 1.00 30.35 C ATOM 697 C SER A 42 -1.797 14.052 0.559 1.00 61.02 C ATOM 698 O SER A 42 -1.329 15.028 -0.040 1.00 51.41 O ATOM 699 CB SER A 42 -2.829 11.992 -0.405 1.00 3.35 C ATOM 700 OG SER A 42 -2.048 12.023 -1.605 1.00 13.32 O ATOM 0 H SER A 42 -3.078 14.352 -1.726 1.00 31.41 H new ATOM 0 HA SER A 42 -3.753 13.365 0.965 1.00 30.35 H new ATOM 0 HB2 SER A 42 -2.310 11.412 0.358 1.00 3.35 H new ATOM 0 HB3 SER A 42 -3.778 11.491 -0.595 1.00 3.35 H new ATOM 0 HG SER A 42 -1.257 11.456 -1.495 1.00 13.32 H new ATOM 706 N ARG A 43 -1.217 13.493 1.595 1.00 40.14 N ATOM 707 CA ARG A 43 0.042 13.972 2.157 1.00 12.12 C ATOM 708 C ARG A 43 1.206 13.825 1.169 1.00 51.32 C ATOM 709 O ARG A 43 2.238 14.467 1.315 1.00 23.41 O ATOM 710 CB ARG A 43 0.349 13.193 3.420 1.00 43.51 C ATOM 711 CG ARG A 43 -0.698 13.346 4.500 1.00 63.04 C ATOM 712 CD ARG A 43 -0.377 12.473 5.687 1.00 71.11 C ATOM 713 NE ARG A 43 -0.411 11.041 5.353 1.00 22.23 N ATOM 714 CZ ARG A 43 0.505 10.148 5.752 1.00 20.20 C ATOM 715 NH1 ARG A 43 1.652 10.554 6.303 1.00 24.35 N ATOM 716 NH2 ARG A 43 0.295 8.865 5.554 1.00 74.33 N ATOM 0 H ARG A 43 -1.603 12.684 2.082 1.00 40.14 H new ATOM 0 HA ARG A 43 -0.070 15.033 2.378 1.00 12.12 H new ATOM 0 HB2 ARG A 43 0.448 12.137 3.169 1.00 43.51 H new ATOM 0 HB3 ARG A 43 1.312 13.519 3.812 1.00 43.51 H new ATOM 0 HG2 ARG A 43 -0.753 14.388 4.814 1.00 63.04 H new ATOM 0 HG3 ARG A 43 -1.678 13.081 4.103 1.00 63.04 H new ATOM 0 HD2 ARG A 43 0.611 12.731 6.068 1.00 71.11 H new ATOM 0 HD3 ARG A 43 -1.090 12.674 6.486 1.00 71.11 H new ATOM 0 HE ARG A 43 -1.184 10.705 4.779 1.00 22.23 H new ATOM 0 HH11 ARG A 43 1.836 11.550 6.423 1.00 24.35 H new ATOM 0 HH12 ARG A 43 2.344 9.868 6.604 1.00 24.35 H new ATOM 0 HH21 ARG A 43 -0.563 8.553 5.098 1.00 74.33 H new ATOM 0 HH22 ARG A 43 0.990 8.182 5.856 1.00 74.33 H new ATOM 730 N TYR A 44 1.039 12.968 0.182 1.00 43.02 N ATOM 731 CA TYR A 44 2.051 12.729 -0.793 1.00 3.41 C ATOM 732 C TYR A 44 1.540 13.225 -2.164 1.00 32.32 C ATOM 733 O TYR A 44 2.165 13.012 -3.196 1.00 14.40 O ATOM 734 CB TYR A 44 2.301 11.242 -0.764 1.00 71.23 C ATOM 735 CG TYR A 44 3.486 10.740 -1.508 1.00 3.05 C ATOM 736 CD1 TYR A 44 4.756 11.139 -1.164 1.00 11.20 C ATOM 737 CD2 TYR A 44 3.334 9.829 -2.501 1.00 73.23 C ATOM 738 CE1 TYR A 44 5.866 10.627 -1.819 1.00 72.33 C ATOM 739 CE2 TYR A 44 4.419 9.309 -3.174 1.00 72.13 C ATOM 740 CZ TYR A 44 5.684 9.708 -2.832 1.00 4.53 C ATOM 741 OH TYR A 44 6.773 9.173 -3.493 1.00 40.25 O ATOM 0 H TYR A 44 0.189 12.422 0.044 1.00 43.02 H new ATOM 0 HA TYR A 44 2.983 13.259 -0.597 1.00 3.41 H new ATOM 0 HB2 TYR A 44 2.401 10.936 0.277 1.00 71.23 H new ATOM 0 HB3 TYR A 44 1.417 10.742 -1.160 1.00 71.23 H new ATOM 0 HD1 TYR A 44 4.891 11.861 -0.373 1.00 11.20 H new ATOM 0 HD2 TYR A 44 2.340 9.503 -2.771 1.00 73.23 H new ATOM 0 HE1 TYR A 44 6.860 10.944 -1.540 1.00 72.33 H new ATOM 0 HE2 TYR A 44 4.272 8.591 -3.967 1.00 72.13 H new ATOM 0 HH TYR A 44 6.464 8.542 -4.176 1.00 40.25 H new ATOM 751 N ARG A 45 0.370 13.876 -2.099 1.00 65.24 N ATOM 752 CA ARG A 45 -0.356 14.543 -3.184 1.00 31.13 C ATOM 753 C ARG A 45 -0.252 13.870 -4.576 1.00 30.03 C ATOM 754 O ARG A 45 0.695 14.097 -5.324 1.00 61.22 O ATOM 755 CB ARG A 45 -0.007 16.057 -3.181 1.00 73.51 C ATOM 756 CG ARG A 45 -0.902 16.990 -4.006 1.00 73.13 C ATOM 757 CD ARG A 45 -0.714 16.854 -5.502 1.00 74.50 C ATOM 758 NE ARG A 45 0.663 17.139 -5.901 1.00 42.52 N ATOM 759 CZ ARG A 45 1.233 16.708 -7.023 1.00 45.25 C ATOM 760 NH1 ARG A 45 0.545 15.957 -7.878 1.00 75.41 N ATOM 761 NH2 ARG A 45 2.493 17.025 -7.289 1.00 61.32 N ATOM 0 H ARG A 45 -0.132 13.955 -1.214 1.00 65.24 H new ATOM 0 HA ARG A 45 -1.419 14.428 -2.973 1.00 31.13 H new ATOM 0 HB2 ARG A 45 -0.021 16.404 -2.148 1.00 73.51 H new ATOM 0 HB3 ARG A 45 1.016 16.167 -3.540 1.00 73.51 H new ATOM 0 HG2 ARG A 45 -1.945 16.788 -3.761 1.00 73.13 H new ATOM 0 HG3 ARG A 45 -0.700 18.021 -3.716 1.00 73.13 H new ATOM 0 HD2 ARG A 45 -0.981 15.844 -5.812 1.00 74.50 H new ATOM 0 HD3 ARG A 45 -1.391 17.535 -6.017 1.00 74.50 H new ATOM 0 HE ARG A 45 1.228 17.710 -5.273 1.00 42.52 H new ATOM 0 HH11 ARG A 45 -0.423 15.709 -7.675 1.00 75.41 H new ATOM 0 HH12 ARG A 45 0.986 15.629 -8.737 1.00 75.41 H new ATOM 0 HH21 ARG A 45 3.024 17.599 -6.634 1.00 61.32 H new ATOM 0 HH22 ARG A 45 2.931 16.695 -8.149 1.00 61.32 H new ATOM 775 N GLY A 46 -1.208 12.999 -4.872 1.00 51.12 N ATOM 776 CA GLY A 46 -1.351 12.423 -6.217 1.00 70.12 C ATOM 777 C GLY A 46 -0.246 11.465 -6.652 1.00 3.24 C ATOM 778 O GLY A 46 -0.279 10.950 -7.775 1.00 4.40 O ATOM 0 H GLY A 46 -1.902 12.670 -4.201 1.00 51.12 H new ATOM 0 HA2 GLY A 46 -2.303 11.895 -6.266 1.00 70.12 H new ATOM 0 HA3 GLY A 46 -1.402 13.239 -6.937 1.00 70.12 H new ATOM 782 N GLN A 47 0.713 11.231 -5.805 1.00 1.42 N ATOM 783 CA GLN A 47 1.786 10.324 -6.115 1.00 1.03 C ATOM 784 C GLN A 47 1.584 8.988 -5.427 1.00 33.42 C ATOM 785 O GLN A 47 0.874 8.897 -4.409 1.00 74.20 O ATOM 786 CB GLN A 47 3.149 10.935 -5.789 1.00 33.44 C ATOM 787 CG GLN A 47 3.525 12.109 -6.677 1.00 30.54 C ATOM 788 CD GLN A 47 3.601 11.706 -8.139 1.00 61.54 C ATOM 789 OE1 GLN A 47 3.911 10.562 -8.468 1.00 31.31 O ATOM 790 NE2 GLN A 47 3.329 12.626 -9.018 1.00 64.35 N ATOM 0 H GLN A 47 0.776 11.660 -4.882 1.00 1.42 H new ATOM 0 HA GLN A 47 1.771 10.143 -7.190 1.00 1.03 H new ATOM 0 HB2 GLN A 47 3.150 11.263 -4.750 1.00 33.44 H new ATOM 0 HB3 GLN A 47 3.913 10.163 -5.880 1.00 33.44 H new ATOM 0 HG2 GLN A 47 2.791 12.906 -6.557 1.00 30.54 H new ATOM 0 HG3 GLN A 47 4.487 12.512 -6.360 1.00 30.54 H new ATOM 0 HE21 GLN A 47 3.075 13.565 -8.711 1.00 64.35 H new ATOM 0 HE22 GLN A 47 3.370 12.408 -10.014 1.00 64.35 H new ATOM 799 N GLU A 48 2.169 7.961 -5.984 1.00 42.42 N ATOM 800 CA GLU A 48 2.010 6.616 -5.484 1.00 71.20 C ATOM 801 C GLU A 48 3.098 6.297 -4.510 1.00 42.23 C ATOM 802 O GLU A 48 4.267 6.621 -4.736 1.00 24.14 O ATOM 803 CB GLU A 48 2.041 5.562 -6.623 1.00 51.41 C ATOM 804 CG GLU A 48 0.905 5.642 -7.653 1.00 54.44 C ATOM 805 CD GLU A 48 0.890 6.933 -8.424 1.00 70.51 C ATOM 806 OE1 GLU A 48 1.719 7.104 -9.351 1.00 44.04 O ATOM 807 OE2 GLU A 48 0.059 7.805 -8.115 1.00 23.40 O ATOM 0 H GLU A 48 2.774 8.032 -6.803 1.00 42.42 H new ATOM 0 HA GLU A 48 1.036 6.572 -4.997 1.00 71.20 H new ATOM 0 HB2 GLU A 48 2.990 5.657 -7.151 1.00 51.41 H new ATOM 0 HB3 GLU A 48 2.025 4.570 -6.172 1.00 51.41 H new ATOM 0 HG2 GLU A 48 0.999 4.811 -8.352 1.00 54.44 H new ATOM 0 HG3 GLU A 48 -0.050 5.522 -7.141 1.00 54.44 H new ATOM 814 N HIS A 49 2.729 5.683 -3.430 1.00 73.42 N ATOM 815 CA HIS A 49 3.695 5.275 -2.446 1.00 12.33 C ATOM 816 C HIS A 49 4.027 3.845 -2.719 1.00 31.42 C ATOM 817 O HIS A 49 3.224 3.128 -3.318 1.00 10.25 O ATOM 818 CB HIS A 49 3.152 5.305 -1.019 1.00 23.31 C ATOM 819 CG HIS A 49 2.643 6.591 -0.451 1.00 64.32 C ATOM 820 ND1 HIS A 49 3.352 7.339 0.471 1.00 31.24 N ATOM 821 CD2 HIS A 49 1.437 7.177 -0.554 1.00 44.42 C ATOM 822 CE1 HIS A 49 2.595 8.314 0.915 1.00 14.21 C ATOM 823 NE2 HIS A 49 1.424 8.243 0.311 1.00 32.21 N ATOM 0 H HIS A 49 1.762 5.450 -3.202 1.00 73.42 H new ATOM 0 HA HIS A 49 4.539 5.961 -2.517 1.00 12.33 H new ATOM 0 HB2 HIS A 49 2.340 4.580 -0.963 1.00 23.31 H new ATOM 0 HB3 HIS A 49 3.944 4.948 -0.361 1.00 23.31 H new ATOM 0 HD2 HIS A 49 0.628 6.866 -1.198 1.00 44.42 H new ATOM 0 HE1 HIS A 49 2.882 9.051 1.651 1.00 14.21 H new ATOM 0 HE2 HIS A 49 0.638 8.876 0.462 1.00 32.21 H new ATOM 832 N CYS A 50 5.154 3.423 -2.295 1.00 75.52 N ATOM 833 CA CYS A 50 5.500 2.049 -2.407 1.00 32.34 C ATOM 834 C CYS A 50 5.972 1.525 -1.072 1.00 65.24 C ATOM 835 O CYS A 50 6.842 2.120 -0.429 1.00 63.33 O ATOM 836 CB CYS A 50 6.534 1.839 -3.508 1.00 54.12 C ATOM 837 SG CYS A 50 8.023 2.884 -3.359 1.00 40.51 S ATOM 0 H CYS A 50 5.865 4.011 -1.861 1.00 75.52 H new ATOM 0 HA CYS A 50 4.616 1.479 -2.692 1.00 32.34 H new ATOM 0 HB2 CYS A 50 6.839 0.792 -3.508 1.00 54.12 H new ATOM 0 HB3 CYS A 50 6.064 2.034 -4.472 1.00 54.12 H new ATOM 842 N LEU A 51 5.361 0.456 -0.633 1.00 34.24 N ATOM 843 CA LEU A 51 5.737 -0.180 0.599 1.00 44.14 C ATOM 844 C LEU A 51 6.513 -1.397 0.327 1.00 50.45 C ATOM 845 O LEU A 51 6.192 -2.168 -0.584 1.00 50.52 O ATOM 846 CB LEU A 51 4.540 -0.495 1.490 1.00 43.31 C ATOM 847 CG LEU A 51 3.896 0.691 2.159 1.00 73.04 C ATOM 848 CD1 LEU A 51 2.583 0.286 2.806 1.00 22.42 C ATOM 849 CD2 LEU A 51 4.827 1.256 3.216 1.00 30.12 C ATOM 0 H LEU A 51 4.588 0.003 -1.121 1.00 34.24 H new ATOM 0 HA LEU A 51 6.357 0.529 1.148 1.00 44.14 H new ATOM 0 HB2 LEU A 51 3.786 -1.004 0.889 1.00 43.31 H new ATOM 0 HB3 LEU A 51 4.859 -1.196 2.262 1.00 43.31 H new ATOM 0 HG LEU A 51 3.699 1.451 1.403 1.00 73.04 H new ATOM 0 HD11 LEU A 51 2.130 1.154 3.285 1.00 22.42 H new ATOM 0 HD12 LEU A 51 1.907 -0.102 2.044 1.00 22.42 H new ATOM 0 HD13 LEU A 51 2.768 -0.485 3.554 1.00 22.42 H new ATOM 0 HD21 LEU A 51 4.355 2.113 3.696 1.00 30.12 H new ATOM 0 HD22 LEU A 51 5.035 0.491 3.964 1.00 30.12 H new ATOM 0 HD23 LEU A 51 5.760 1.570 2.749 1.00 30.12 H new ATOM 861 N HIS A 52 7.525 -1.574 1.098 1.00 13.23 N ATOM 862 CA HIS A 52 8.401 -2.694 0.921 1.00 72.50 C ATOM 863 C HIS A 52 7.763 -3.932 1.584 1.00 53.24 C ATOM 864 O HIS A 52 7.597 -3.982 2.809 1.00 2.22 O ATOM 865 CB HIS A 52 9.797 -2.380 1.485 1.00 72.13 C ATOM 866 CG HIS A 52 10.845 -3.333 1.025 1.00 2.43 C ATOM 867 ND1 HIS A 52 11.253 -3.642 -0.228 1.00 4.15 N flip ATOM 868 CD2 HIS A 52 11.617 -4.089 1.868 1.00 34.22 C flip ATOM 869 CE1 HIS A 52 12.240 -4.569 -0.111 1.00 13.23 C flip ATOM 870 NE2 HIS A 52 12.440 -4.824 1.157 1.00 32.54 N flip ATOM 0 H HIS A 52 7.776 -0.954 1.868 1.00 13.23 H new ATOM 0 HA HIS A 52 8.536 -2.905 -0.140 1.00 72.50 H new ATOM 0 HB2 HIS A 52 10.081 -1.369 1.192 1.00 72.13 H new ATOM 0 HB3 HIS A 52 9.754 -2.396 2.574 1.00 72.13 H new ATOM 0 HD2 HIS A 52 11.558 -4.081 2.946 1.00 34.22 H new ATOM 0 HE1 HIS A 52 12.774 -5.023 -0.933 1.00 13.23 H new ATOM 0 HE2 HIS A 52 13.122 -5.484 1.531 1.00 32.54 H new ATOM 879 N PRO A 53 7.407 -4.951 0.773 1.00 54.23 N ATOM 880 CA PRO A 53 6.627 -6.127 1.227 1.00 72.11 C ATOM 881 C PRO A 53 7.408 -7.127 2.060 1.00 12.13 C ATOM 882 O PRO A 53 6.896 -8.172 2.405 1.00 25.42 O ATOM 883 CB PRO A 53 6.214 -6.782 -0.082 1.00 61.14 C ATOM 884 CG PRO A 53 7.309 -6.437 -1.025 1.00 33.30 C ATOM 885 CD PRO A 53 7.718 -5.042 -0.673 1.00 75.30 C ATOM 0 HA PRO A 53 5.813 -5.814 1.881 1.00 72.11 H new ATOM 0 HB2 PRO A 53 6.109 -7.861 0.029 1.00 61.14 H new ATOM 0 HB3 PRO A 53 5.254 -6.403 -0.431 1.00 61.14 H new ATOM 0 HG2 PRO A 53 8.146 -7.128 -0.924 1.00 33.30 H new ATOM 0 HG3 PRO A 53 6.969 -6.497 -2.059 1.00 33.30 H new ATOM 0 HD2 PRO A 53 8.777 -4.872 -0.868 1.00 75.30 H new ATOM 0 HD3 PRO A 53 7.164 -4.302 -1.251 1.00 75.30 H new ATOM 893 N LYS A 54 8.637 -6.814 2.368 1.00 24.53 N ATOM 894 CA LYS A 54 9.458 -7.718 3.145 1.00 71.54 C ATOM 895 C LYS A 54 9.239 -7.507 4.644 1.00 62.22 C ATOM 896 O LYS A 54 9.631 -8.332 5.470 1.00 3.42 O ATOM 897 CB LYS A 54 10.909 -7.520 2.787 1.00 24.31 C ATOM 898 CG LYS A 54 11.155 -7.732 1.318 1.00 14.30 C ATOM 899 CD LYS A 54 10.890 -9.141 0.869 1.00 1.04 C ATOM 900 CE LYS A 54 10.846 -9.184 -0.630 1.00 3.42 C ATOM 901 NZ LYS A 54 10.602 -10.522 -1.162 1.00 52.13 N ATOM 0 H LYS A 54 9.096 -5.944 2.097 1.00 24.53 H new ATOM 0 HA LYS A 54 9.169 -8.742 2.909 1.00 71.54 H new ATOM 0 HB2 LYS A 54 11.218 -6.513 3.066 1.00 24.31 H new ATOM 0 HB3 LYS A 54 11.523 -8.213 3.362 1.00 24.31 H new ATOM 0 HG2 LYS A 54 10.522 -7.051 0.749 1.00 14.30 H new ATOM 0 HG3 LYS A 54 12.189 -7.473 1.089 1.00 14.30 H new ATOM 0 HD2 LYS A 54 11.670 -9.806 1.241 1.00 1.04 H new ATOM 0 HD3 LYS A 54 9.946 -9.495 1.282 1.00 1.04 H new ATOM 0 HE2 LYS A 54 10.064 -8.512 -0.983 1.00 3.42 H new ATOM 0 HE3 LYS A 54 11.790 -8.810 -1.025 1.00 3.42 H new ATOM 0 HZ1 LYS A 54 10.448 -10.465 -2.189 1.00 52.13 H new ATOM 0 HZ2 LYS A 54 11.425 -11.128 -0.968 1.00 52.13 H new ATOM 0 HZ3 LYS A 54 9.759 -10.928 -0.708 1.00 52.13 H new ATOM 915 N LEU A 55 8.605 -6.388 4.975 1.00 61.52 N ATOM 916 CA LEU A 55 8.335 -6.009 6.355 1.00 42.42 C ATOM 917 C LEU A 55 7.021 -6.615 6.827 1.00 53.43 C ATOM 918 O LEU A 55 6.058 -6.677 6.060 1.00 74.24 O ATOM 919 CB LEU A 55 8.269 -4.482 6.465 1.00 41.11 C ATOM 920 CG LEU A 55 9.539 -3.721 6.090 1.00 4.44 C ATOM 921 CD1 LEU A 55 9.303 -2.226 6.149 1.00 33.43 C ATOM 922 CD2 LEU A 55 10.673 -4.104 7.017 1.00 52.01 C ATOM 0 H LEU A 55 8.262 -5.715 4.289 1.00 61.52 H new ATOM 0 HA LEU A 55 9.140 -6.386 6.986 1.00 42.42 H new ATOM 0 HB2 LEU A 55 7.458 -4.128 5.829 1.00 41.11 H new ATOM 0 HB3 LEU A 55 8.006 -4.224 7.491 1.00 41.11 H new ATOM 0 HG LEU A 55 9.810 -3.989 5.069 1.00 4.44 H new ATOM 0 HD11 LEU A 55 10.220 -1.702 5.879 1.00 33.43 H new ATOM 0 HD12 LEU A 55 8.511 -1.955 5.451 1.00 33.43 H new ATOM 0 HD13 LEU A 55 9.009 -1.944 7.160 1.00 33.43 H new ATOM 0 HD21 LEU A 55 11.572 -3.554 6.738 1.00 52.01 H new ATOM 0 HD22 LEU A 55 10.402 -3.860 8.044 1.00 52.01 H new ATOM 0 HD23 LEU A 55 10.863 -5.174 6.937 1.00 52.01 H new ATOM 934 N GLN A 56 6.969 -7.044 8.084 1.00 33.01 N ATOM 935 CA GLN A 56 5.763 -7.672 8.624 1.00 0.12 C ATOM 936 C GLN A 56 4.649 -6.655 8.843 1.00 43.14 C ATOM 937 O GLN A 56 3.468 -6.986 8.709 1.00 25.23 O ATOM 938 CB GLN A 56 6.038 -8.447 9.917 1.00 24.12 C ATOM 939 CG GLN A 56 6.571 -7.613 11.060 1.00 54.44 C ATOM 940 CD GLN A 56 6.689 -8.409 12.332 1.00 52.51 C ATOM 941 OE1 GLN A 56 5.753 -8.470 13.121 1.00 14.43 O ATOM 942 NE2 GLN A 56 7.819 -9.019 12.541 1.00 4.12 N ATOM 0 H GLN A 56 7.741 -6.970 8.746 1.00 33.01 H new ATOM 0 HA GLN A 56 5.432 -8.389 7.873 1.00 0.12 H new ATOM 0 HB2 GLN A 56 5.114 -8.928 10.238 1.00 24.12 H new ATOM 0 HB3 GLN A 56 6.753 -9.241 9.702 1.00 24.12 H new ATOM 0 HG2 GLN A 56 7.548 -7.212 10.791 1.00 54.44 H new ATOM 0 HG3 GLN A 56 5.912 -6.761 11.225 1.00 54.44 H new ATOM 0 HE21 GLN A 56 8.574 -8.943 11.859 1.00 4.12 H new ATOM 0 HE22 GLN A 56 7.950 -9.574 13.387 1.00 4.12 H new ATOM 951 N SER A 57 5.030 -5.421 9.162 1.00 75.20 N ATOM 952 CA SER A 57 4.081 -4.338 9.356 1.00 65.32 C ATOM 953 C SER A 57 3.283 -4.135 8.068 1.00 55.54 C ATOM 954 O SER A 57 2.067 -3.872 8.093 1.00 0.45 O ATOM 955 CB SER A 57 4.837 -3.048 9.744 1.00 31.33 C ATOM 956 OG SER A 57 3.956 -1.963 9.989 1.00 62.01 O ATOM 0 H SER A 57 6.004 -5.148 9.292 1.00 75.20 H new ATOM 0 HA SER A 57 3.391 -4.586 10.162 1.00 65.32 H new ATOM 0 HB2 SER A 57 5.437 -3.235 10.635 1.00 31.33 H new ATOM 0 HB3 SER A 57 5.528 -2.779 8.945 1.00 31.33 H new ATOM 0 HG SER A 57 4.475 -1.168 10.232 1.00 62.01 H new ATOM 962 N THR A 58 3.973 -4.317 6.942 1.00 21.34 N ATOM 963 CA THR A 58 3.380 -4.197 5.647 1.00 12.45 C ATOM 964 C THR A 58 2.247 -5.233 5.488 1.00 4.43 C ATOM 965 O THR A 58 1.159 -4.882 5.073 1.00 14.21 O ATOM 966 CB THR A 58 4.447 -4.373 4.547 1.00 73.13 C ATOM 967 OG1 THR A 58 5.541 -3.458 4.796 1.00 33.14 O ATOM 968 CG2 THR A 58 3.859 -4.078 3.173 1.00 23.44 C ATOM 0 H THR A 58 4.965 -4.553 6.923 1.00 21.34 H new ATOM 0 HA THR A 58 2.953 -3.200 5.544 1.00 12.45 H new ATOM 0 HB THR A 58 4.800 -5.404 4.565 1.00 73.13 H new ATOM 0 HG1 THR A 58 6.266 -3.634 4.160 1.00 33.14 H new ATOM 0 HG21 THR A 58 4.629 -4.208 2.412 1.00 23.44 H new ATOM 0 HG22 THR A 58 3.034 -4.763 2.976 1.00 23.44 H new ATOM 0 HG23 THR A 58 3.493 -3.052 3.147 1.00 23.44 H new ATOM 976 N LYS A 59 2.506 -6.503 5.877 1.00 13.30 N ATOM 977 CA LYS A 59 1.478 -7.547 5.802 1.00 42.14 C ATOM 978 C LYS A 59 0.214 -7.170 6.540 1.00 35.41 C ATOM 979 O LYS A 59 -0.879 -7.343 6.000 1.00 24.14 O ATOM 980 CB LYS A 59 1.962 -8.921 6.265 1.00 44.12 C ATOM 981 CG LYS A 59 2.872 -9.666 5.300 1.00 21.43 C ATOM 982 CD LYS A 59 4.219 -9.013 5.101 1.00 54.34 C ATOM 983 CE LYS A 59 5.120 -9.862 4.208 1.00 5.12 C ATOM 984 NZ LYS A 59 4.559 -10.067 2.850 1.00 53.31 N ATOM 0 H LYS A 59 3.406 -6.819 6.239 1.00 13.30 H new ATOM 0 HA LYS A 59 1.250 -7.625 4.739 1.00 42.14 H new ATOM 0 HB2 LYS A 59 2.490 -8.799 7.211 1.00 44.12 H new ATOM 0 HB3 LYS A 59 1.090 -9.543 6.465 1.00 44.12 H new ATOM 0 HG2 LYS A 59 3.022 -10.681 5.668 1.00 21.43 H new ATOM 0 HG3 LYS A 59 2.373 -9.747 4.335 1.00 21.43 H new ATOM 0 HD2 LYS A 59 4.085 -8.028 4.655 1.00 54.34 H new ATOM 0 HD3 LYS A 59 4.699 -8.863 6.068 1.00 54.34 H new ATOM 0 HE2 LYS A 59 6.095 -9.383 4.124 1.00 5.12 H new ATOM 0 HE3 LYS A 59 5.281 -10.832 4.679 1.00 5.12 H new ATOM 0 HZ1 LYS A 59 5.292 -9.870 2.138 1.00 53.31 H new ATOM 0 HZ2 LYS A 59 4.237 -11.051 2.752 1.00 53.31 H new ATOM 0 HZ3 LYS A 59 3.755 -9.423 2.706 1.00 53.31 H new ATOM 998 N ARG A 60 0.336 -6.650 7.770 1.00 34.22 N ATOM 999 CA ARG A 60 -0.849 -6.212 8.476 1.00 11.22 C ATOM 1000 C ARG A 60 -1.563 -5.157 7.693 1.00 52.34 C ATOM 1001 O ARG A 60 -2.721 -5.287 7.451 1.00 51.25 O ATOM 1002 CB ARG A 60 -0.593 -5.666 9.882 1.00 63.41 C ATOM 1003 CG ARG A 60 -0.613 -6.645 11.056 1.00 31.12 C ATOM 1004 CD ARG A 60 0.670 -7.460 11.243 1.00 4.33 C ATOM 1005 NE ARG A 60 0.938 -8.453 10.200 1.00 52.43 N ATOM 1006 CZ ARG A 60 1.988 -9.300 10.236 1.00 44.02 C ATOM 1007 NH1 ARG A 60 2.863 -9.242 11.239 1.00 52.35 N ATOM 1008 NH2 ARG A 60 2.145 -10.208 9.287 1.00 24.12 N ATOM 0 H ARG A 60 1.216 -6.530 8.272 1.00 34.22 H new ATOM 0 HA ARG A 60 -1.452 -7.113 8.586 1.00 11.22 H new ATOM 0 HB2 ARG A 60 0.380 -5.175 9.876 1.00 63.41 H new ATOM 0 HB3 ARG A 60 -1.338 -4.895 10.080 1.00 63.41 H new ATOM 0 HG2 ARG A 60 -0.807 -6.086 11.972 1.00 31.12 H new ATOM 0 HG3 ARG A 60 -1.446 -7.334 10.920 1.00 31.12 H new ATOM 0 HD2 ARG A 60 1.514 -6.772 11.292 1.00 4.33 H new ATOM 0 HD3 ARG A 60 0.619 -7.971 12.204 1.00 4.33 H new ATOM 0 HE ARG A 60 0.299 -8.507 9.407 1.00 52.43 H new ATOM 0 HH11 ARG A 60 2.741 -8.556 11.983 1.00 52.35 H new ATOM 0 HH12 ARG A 60 3.655 -9.884 11.262 1.00 52.35 H new ATOM 0 HH21 ARG A 60 1.471 -10.270 8.524 1.00 24.12 H new ATOM 0 HH22 ARG A 60 2.940 -10.846 9.318 1.00 24.12 H new ATOM 1022 N PHE A 61 -0.833 -4.138 7.274 1.00 34.55 N ATOM 1023 CA PHE A 61 -1.406 -2.998 6.563 1.00 14.33 C ATOM 1024 C PHE A 61 -2.137 -3.463 5.305 1.00 74.11 C ATOM 1025 O PHE A 61 -3.223 -2.983 5.005 1.00 42.44 O ATOM 1026 CB PHE A 61 -0.300 -2.028 6.190 1.00 11.32 C ATOM 1027 CG PHE A 61 -0.767 -0.679 5.667 1.00 21.11 C ATOM 1028 CD1 PHE A 61 -1.097 0.339 6.550 1.00 23.51 C ATOM 1029 CD2 PHE A 61 -0.853 -0.422 4.314 1.00 13.35 C ATOM 1030 CE1 PHE A 61 -1.506 1.578 6.093 1.00 32.12 C ATOM 1031 CE2 PHE A 61 -1.257 0.818 3.853 1.00 24.44 C ATOM 1032 CZ PHE A 61 -1.580 1.818 4.744 1.00 54.44 C ATOM 0 H PHE A 61 0.175 -4.073 7.415 1.00 34.55 H new ATOM 0 HA PHE A 61 -2.124 -2.500 7.214 1.00 14.33 H new ATOM 0 HB2 PHE A 61 0.326 -1.862 7.067 1.00 11.32 H new ATOM 0 HB3 PHE A 61 0.330 -2.495 5.432 1.00 11.32 H new ATOM 0 HD1 PHE A 61 -1.033 0.160 7.613 1.00 23.51 H new ATOM 0 HD2 PHE A 61 -0.602 -1.198 3.606 1.00 13.35 H new ATOM 0 HE1 PHE A 61 -1.767 2.355 6.796 1.00 32.12 H new ATOM 0 HE2 PHE A 61 -1.319 1.003 2.791 1.00 24.44 H new ATOM 0 HZ PHE A 61 -1.890 2.787 4.382 1.00 54.44 H new ATOM 1042 N ILE A 62 -1.541 -4.408 4.591 1.00 52.33 N ATOM 1043 CA ILE A 62 -2.141 -4.946 3.381 1.00 3.20 C ATOM 1044 C ILE A 62 -3.427 -5.660 3.706 1.00 53.31 C ATOM 1045 O ILE A 62 -4.484 -5.347 3.154 1.00 30.23 O ATOM 1046 CB ILE A 62 -1.199 -5.929 2.635 1.00 40.54 C ATOM 1047 CG1 ILE A 62 0.124 -5.254 2.298 1.00 11.20 C ATOM 1048 CG2 ILE A 62 -1.867 -6.469 1.375 1.00 40.14 C ATOM 1049 CD1 ILE A 62 -0.036 -3.952 1.571 1.00 13.13 C ATOM 0 H ILE A 62 -0.639 -4.818 4.831 1.00 52.33 H new ATOM 0 HA ILE A 62 -2.332 -4.096 2.726 1.00 3.20 H new ATOM 0 HB ILE A 62 -0.994 -6.771 3.296 1.00 40.54 H new ATOM 0 HG12 ILE A 62 0.679 -5.080 3.220 1.00 11.20 H new ATOM 0 HG13 ILE A 62 0.723 -5.930 1.688 1.00 11.20 H new ATOM 0 HG21 ILE A 62 -1.188 -7.155 0.869 1.00 40.14 H new ATOM 0 HG22 ILE A 62 -2.782 -6.997 1.646 1.00 40.14 H new ATOM 0 HG23 ILE A 62 -2.109 -5.641 0.708 1.00 40.14 H new ATOM 0 HD11 ILE A 62 0.946 -3.528 1.364 1.00 13.13 H new ATOM 0 HD12 ILE A 62 -0.563 -4.122 0.632 1.00 13.13 H new ATOM 0 HD13 ILE A 62 -0.608 -3.259 2.188 1.00 13.13 H new ATOM 1061 N LYS A 63 -3.351 -6.596 4.618 1.00 71.32 N ATOM 1062 CA LYS A 63 -4.542 -7.353 4.988 1.00 0.14 C ATOM 1063 C LYS A 63 -5.586 -6.506 5.669 1.00 60.41 C ATOM 1064 O LYS A 63 -6.792 -6.740 5.512 1.00 3.04 O ATOM 1065 CB LYS A 63 -4.253 -8.651 5.766 1.00 2.10 C ATOM 1066 CG LYS A 63 -3.933 -9.855 4.859 1.00 73.01 C ATOM 1067 CD LYS A 63 -2.576 -9.794 4.179 1.00 1.32 C ATOM 1068 CE LYS A 63 -1.463 -10.135 5.149 1.00 12.24 C ATOM 1069 NZ LYS A 63 -1.595 -11.515 5.676 1.00 12.11 N ATOM 0 H LYS A 63 -2.499 -6.856 5.115 1.00 71.32 H new ATOM 0 HA LYS A 63 -4.963 -7.676 4.036 1.00 0.14 H new ATOM 0 HB2 LYS A 63 -3.414 -8.481 6.440 1.00 2.10 H new ATOM 0 HB3 LYS A 63 -5.116 -8.893 6.386 1.00 2.10 H new ATOM 0 HG2 LYS A 63 -3.985 -10.766 5.455 1.00 73.01 H new ATOM 0 HG3 LYS A 63 -4.705 -9.931 4.093 1.00 73.01 H new ATOM 0 HD2 LYS A 63 -2.555 -10.488 3.339 1.00 1.32 H new ATOM 0 HD3 LYS A 63 -2.414 -8.796 3.772 1.00 1.32 H new ATOM 0 HE2 LYS A 63 -0.500 -10.027 4.650 1.00 12.24 H new ATOM 0 HE3 LYS A 63 -1.473 -9.427 5.978 1.00 12.24 H new ATOM 0 HZ1 LYS A 63 -0.675 -11.997 5.622 1.00 12.11 H new ATOM 0 HZ2 LYS A 63 -1.910 -11.480 6.667 1.00 12.11 H new ATOM 0 HZ3 LYS A 63 -2.293 -12.038 5.109 1.00 12.11 H new ATOM 1083 N TRP A 64 -5.130 -5.509 6.372 1.00 30.03 N ATOM 1084 CA TRP A 64 -5.990 -4.608 7.089 1.00 43.30 C ATOM 1085 C TRP A 64 -6.707 -3.739 6.064 1.00 63.13 C ATOM 1086 O TRP A 64 -7.905 -3.478 6.191 1.00 53.34 O ATOM 1087 CB TRP A 64 -5.152 -3.735 8.021 1.00 51.03 C ATOM 1088 CG TRP A 64 -5.831 -3.320 9.283 1.00 73.44 C ATOM 1089 CD1 TRP A 64 -5.599 -3.846 10.524 1.00 24.32 C ATOM 1090 CD2 TRP A 64 -6.842 -2.309 9.457 1.00 0.32 C ATOM 1091 NE1 TRP A 64 -6.391 -3.222 11.448 1.00 30.30 N ATOM 1092 CE2 TRP A 64 -7.162 -2.279 10.824 1.00 43.30 C ATOM 1093 CE3 TRP A 64 -7.498 -1.428 8.593 1.00 23.01 C ATOM 1094 CZ2 TRP A 64 -8.111 -1.406 11.348 1.00 22.13 C ATOM 1095 CZ3 TRP A 64 -8.440 -0.561 9.115 1.00 41.22 C ATOM 1096 CH2 TRP A 64 -8.736 -0.556 10.479 1.00 64.24 C ATOM 0 H TRP A 64 -4.137 -5.295 6.465 1.00 30.03 H new ATOM 0 HA TRP A 64 -6.713 -5.159 7.690 1.00 43.30 H new ATOM 0 HB2 TRP A 64 -4.241 -4.276 8.278 1.00 51.03 H new ATOM 0 HB3 TRP A 64 -4.849 -2.839 7.479 1.00 51.03 H new ATOM 0 HD1 TRP A 64 -4.896 -4.636 10.742 1.00 24.32 H new ATOM 0 HE1 TRP A 64 -6.405 -3.427 12.447 1.00 30.30 H new ATOM 0 HE3 TRP A 64 -7.273 -1.424 7.537 1.00 23.01 H new ATOM 0 HZ2 TRP A 64 -8.345 -1.400 12.402 1.00 22.13 H new ATOM 0 HZ3 TRP A 64 -8.955 0.123 8.457 1.00 41.22 H new ATOM 0 HH2 TRP A 64 -9.475 0.135 10.856 1.00 64.24 H new ATOM 1107 N TYR A 65 -5.967 -3.308 5.012 1.00 35.21 N ATOM 1108 CA TYR A 65 -6.569 -2.529 3.954 1.00 31.41 C ATOM 1109 C TYR A 65 -7.683 -3.297 3.278 1.00 52.43 C ATOM 1110 O TYR A 65 -8.666 -2.725 2.900 1.00 53.03 O ATOM 1111 CB TYR A 65 -5.555 -2.019 2.906 1.00 45.22 C ATOM 1112 CG TYR A 65 -6.237 -1.279 1.757 1.00 13.45 C ATOM 1113 CD1 TYR A 65 -6.589 0.054 1.877 1.00 70.51 C ATOM 1114 CD2 TYR A 65 -6.560 -1.933 0.563 1.00 52.24 C ATOM 1115 CE1 TYR A 65 -7.245 0.714 0.854 1.00 61.11 C ATOM 1116 CE2 TYR A 65 -7.205 -1.270 -0.460 1.00 10.44 C ATOM 1117 CZ TYR A 65 -7.547 0.047 -0.307 1.00 1.40 C ATOM 1118 OH TYR A 65 -8.210 0.705 -1.319 1.00 14.32 O ATOM 0 H TYR A 65 -4.971 -3.494 4.894 1.00 35.21 H new ATOM 0 HA TYR A 65 -6.984 -1.645 4.439 1.00 31.41 H new ATOM 0 HB2 TYR A 65 -4.838 -1.355 3.389 1.00 45.22 H new ATOM 0 HB3 TYR A 65 -4.990 -2.862 2.509 1.00 45.22 H new ATOM 0 HD1 TYR A 65 -6.347 0.588 2.784 1.00 70.51 H new ATOM 0 HD2 TYR A 65 -6.300 -2.974 0.440 1.00 52.24 H new ATOM 0 HE1 TYR A 65 -7.519 1.752 0.968 1.00 61.11 H new ATOM 0 HE2 TYR A 65 -7.439 -1.788 -1.378 1.00 10.44 H new ATOM 0 HH TYR A 65 -8.974 0.167 -1.613 1.00 14.32 H new ATOM 1128 N ASN A 66 -7.514 -4.597 3.127 1.00 71.22 N ATOM 1129 CA ASN A 66 -8.565 -5.430 2.521 1.00 43.14 C ATOM 1130 C ASN A 66 -9.860 -5.364 3.319 1.00 22.54 C ATOM 1131 O ASN A 66 -10.944 -5.291 2.743 1.00 25.14 O ATOM 1132 CB ASN A 66 -8.106 -6.880 2.299 1.00 44.01 C ATOM 1133 CG ASN A 66 -7.136 -7.025 1.132 1.00 51.23 C ATOM 1134 OD1 ASN A 66 -7.540 -7.272 0.000 1.00 41.33 O ATOM 1135 ND2 ASN A 66 -5.870 -6.849 1.378 1.00 23.24 N ATOM 0 H ASN A 66 -6.675 -5.105 3.408 1.00 71.22 H new ATOM 0 HA ASN A 66 -8.767 -5.014 1.534 1.00 43.14 H new ATOM 0 HB2 ASN A 66 -7.630 -7.248 3.208 1.00 44.01 H new ATOM 0 HB3 ASN A 66 -8.979 -7.508 2.119 1.00 44.01 H new ATOM 0 HD21 ASN A 66 -5.189 -6.915 0.621 1.00 23.24 H new ATOM 0 HD22 ASN A 66 -5.559 -6.645 2.328 1.00 23.24 H new ATOM 1142 N ALA A 67 -9.741 -5.339 4.640 1.00 22.32 N ATOM 1143 CA ALA A 67 -10.904 -5.213 5.513 1.00 44.21 C ATOM 1144 C ALA A 67 -11.478 -3.805 5.375 1.00 20.52 C ATOM 1145 O ALA A 67 -12.678 -3.614 5.218 1.00 24.34 O ATOM 1146 CB ALA A 67 -10.503 -5.482 6.951 1.00 61.12 C ATOM 0 H ALA A 67 -8.850 -5.404 5.132 1.00 22.32 H new ATOM 0 HA ALA A 67 -11.662 -5.942 5.226 1.00 44.21 H new ATOM 0 HB1 ALA A 67 -11.376 -5.386 7.596 1.00 61.12 H new ATOM 0 HB2 ALA A 67 -10.100 -6.491 7.034 1.00 61.12 H new ATOM 0 HB3 ALA A 67 -9.744 -4.762 7.258 1.00 61.12 H new ATOM 1152 N TRP A 68 -10.586 -2.840 5.413 1.00 73.13 N ATOM 1153 CA TRP A 68 -10.889 -1.422 5.237 1.00 73.34 C ATOM 1154 C TRP A 68 -11.588 -1.154 3.889 1.00 72.20 C ATOM 1155 O TRP A 68 -12.548 -0.389 3.816 1.00 25.32 O ATOM 1156 CB TRP A 68 -9.565 -0.650 5.346 1.00 55.22 C ATOM 1157 CG TRP A 68 -9.596 0.793 4.961 1.00 3.35 C ATOM 1158 CD1 TRP A 68 -9.120 1.323 3.801 1.00 24.44 C ATOM 1159 CD2 TRP A 68 -10.109 1.889 5.718 1.00 12.54 C ATOM 1160 NE1 TRP A 68 -9.296 2.672 3.792 1.00 5.40 N ATOM 1161 CE2 TRP A 68 -9.902 3.049 4.948 1.00 31.53 C ATOM 1162 CE3 TRP A 68 -10.721 2.011 6.962 1.00 60.10 C ATOM 1163 CZ2 TRP A 68 -10.278 4.302 5.377 1.00 74.54 C ATOM 1164 CZ3 TRP A 68 -11.097 3.268 7.384 1.00 4.44 C ATOM 1165 CH2 TRP A 68 -10.870 4.397 6.586 1.00 23.53 C ATOM 0 H TRP A 68 -9.594 -3.018 5.572 1.00 73.13 H new ATOM 0 HA TRP A 68 -11.584 -1.089 6.008 1.00 73.34 H new ATOM 0 HB2 TRP A 68 -9.214 -0.720 6.376 1.00 55.22 H new ATOM 0 HB3 TRP A 68 -8.826 -1.153 4.722 1.00 55.22 H new ATOM 0 HD1 TRP A 68 -8.667 0.754 3.002 1.00 24.44 H new ATOM 0 HE1 TRP A 68 -9.018 3.300 3.038 1.00 5.40 H new ATOM 0 HE3 TRP A 68 -10.897 1.143 7.581 1.00 60.10 H new ATOM 0 HZ2 TRP A 68 -10.105 5.177 4.768 1.00 74.54 H new ATOM 0 HZ3 TRP A 68 -11.574 3.385 8.346 1.00 4.44 H new ATOM 0 HH2 TRP A 68 -11.176 5.368 6.947 1.00 23.53 H new ATOM 1176 N ASN A 69 -11.102 -1.801 2.851 1.00 2.32 N ATOM 1177 CA ASN A 69 -11.626 -1.678 1.494 1.00 62.41 C ATOM 1178 C ASN A 69 -13.086 -2.104 1.463 1.00 34.42 C ATOM 1179 O ASN A 69 -13.937 -1.415 0.888 1.00 30.13 O ATOM 1180 CB ASN A 69 -10.784 -2.544 0.538 1.00 21.11 C ATOM 1181 CG ASN A 69 -11.194 -2.434 -0.917 1.00 4.05 C ATOM 1182 OD1 ASN A 69 -11.683 -1.394 -1.374 1.00 40.43 O ATOM 1183 ND2 ASN A 69 -10.965 -3.484 -1.663 1.00 44.52 N ATOM 0 H ASN A 69 -10.313 -2.444 2.922 1.00 2.32 H new ATOM 0 HA ASN A 69 -11.565 -0.639 1.170 1.00 62.41 H new ATOM 0 HB2 ASN A 69 -9.737 -2.257 0.632 1.00 21.11 H new ATOM 0 HB3 ASN A 69 -10.858 -3.586 0.848 1.00 21.11 H new ATOM 0 HD21 ASN A 69 -11.191 -3.462 -2.657 1.00 44.52 H new ATOM 0 HD22 ASN A 69 -10.560 -4.324 -1.250 1.00 44.52 H new ATOM 1190 N GLU A 70 -13.372 -3.214 2.107 1.00 24.55 N ATOM 1191 CA GLU A 70 -14.728 -3.708 2.230 1.00 3.44 C ATOM 1192 C GLU A 70 -15.560 -2.817 3.130 1.00 52.34 C ATOM 1193 O GLU A 70 -16.717 -2.542 2.838 1.00 51.02 O ATOM 1194 CB GLU A 70 -14.731 -5.139 2.753 1.00 74.54 C ATOM 1195 CG GLU A 70 -14.252 -6.152 1.746 1.00 5.30 C ATOM 1196 CD GLU A 70 -15.181 -6.220 0.568 1.00 43.44 C ATOM 1197 OE1 GLU A 70 -16.228 -6.882 0.676 1.00 30.24 O ATOM 1198 OE2 GLU A 70 -14.890 -5.610 -0.488 1.00 53.45 O ATOM 0 H GLU A 70 -12.672 -3.801 2.561 1.00 24.55 H new ATOM 0 HA GLU A 70 -15.177 -3.696 1.237 1.00 3.44 H new ATOM 0 HB2 GLU A 70 -14.099 -5.194 3.639 1.00 74.54 H new ATOM 0 HB3 GLU A 70 -15.742 -5.400 3.066 1.00 74.54 H new ATOM 0 HG2 GLU A 70 -13.250 -5.889 1.408 1.00 5.30 H new ATOM 0 HG3 GLU A 70 -14.183 -7.133 2.216 1.00 5.30 H new ATOM 1205 N LYS A 71 -14.952 -2.347 4.204 1.00 74.12 N ATOM 1206 CA LYS A 71 -15.611 -1.518 5.186 1.00 53.24 C ATOM 1207 C LYS A 71 -16.047 -0.169 4.577 1.00 1.11 C ATOM 1208 O LYS A 71 -17.031 0.431 5.003 1.00 22.51 O ATOM 1209 CB LYS A 71 -14.670 -1.328 6.386 1.00 51.10 C ATOM 1210 CG LYS A 71 -15.289 -0.649 7.589 1.00 60.55 C ATOM 1211 CD LYS A 71 -16.523 -1.405 8.093 1.00 61.20 C ATOM 1212 CE LYS A 71 -16.215 -2.859 8.488 1.00 21.42 C ATOM 1213 NZ LYS A 71 -15.306 -2.952 9.646 1.00 42.44 N ATOM 0 H LYS A 71 -13.973 -2.535 4.418 1.00 74.12 H new ATOM 0 HA LYS A 71 -16.522 -2.009 5.527 1.00 53.24 H new ATOM 0 HB2 LYS A 71 -14.296 -2.305 6.693 1.00 51.10 H new ATOM 0 HB3 LYS A 71 -13.808 -0.744 6.063 1.00 51.10 H new ATOM 0 HG2 LYS A 71 -14.551 -0.582 8.389 1.00 60.55 H new ATOM 0 HG3 LYS A 71 -15.569 0.371 7.327 1.00 60.55 H new ATOM 0 HD2 LYS A 71 -16.938 -0.880 8.954 1.00 61.20 H new ATOM 0 HD3 LYS A 71 -17.288 -1.399 7.317 1.00 61.20 H new ATOM 0 HE2 LYS A 71 -17.147 -3.374 8.720 1.00 21.42 H new ATOM 0 HE3 LYS A 71 -15.769 -3.376 7.638 1.00 21.42 H new ATOM 0 HZ1 LYS A 71 -15.489 -3.837 10.160 1.00 42.44 H new ATOM 0 HZ2 LYS A 71 -14.320 -2.941 9.315 1.00 42.44 H new ATOM 0 HZ3 LYS A 71 -15.468 -2.144 10.280 1.00 42.44 H new ATOM 1227 N ARG A 72 -15.317 0.273 3.569 1.00 25.22 N ATOM 1228 CA ARG A 72 -15.632 1.501 2.825 1.00 45.42 C ATOM 1229 C ARG A 72 -16.811 1.289 1.876 1.00 50.11 C ATOM 1230 O ARG A 72 -17.340 2.239 1.288 1.00 60.23 O ATOM 1231 CB ARG A 72 -14.406 1.964 2.035 1.00 12.35 C ATOM 1232 CG ARG A 72 -13.289 2.539 2.885 1.00 70.14 C ATOM 1233 CD ARG A 72 -12.028 2.765 2.066 1.00 11.14 C ATOM 1234 NE ARG A 72 -12.245 3.594 0.863 1.00 20.23 N ATOM 1235 CZ ARG A 72 -11.605 3.424 -0.314 1.00 31.12 C ATOM 1236 NH1 ARG A 72 -10.711 2.437 -0.465 1.00 63.02 N ATOM 1237 NH2 ARG A 72 -11.870 4.233 -1.335 1.00 2.21 N ATOM 0 H ARG A 72 -14.481 -0.206 3.234 1.00 25.22 H new ATOM 0 HA ARG A 72 -15.911 2.269 3.547 1.00 45.42 H new ATOM 0 HB2 ARG A 72 -14.015 1.119 1.467 1.00 12.35 H new ATOM 0 HB3 ARG A 72 -14.719 2.717 1.312 1.00 12.35 H new ATOM 0 HG2 ARG A 72 -13.613 3.482 3.324 1.00 70.14 H new ATOM 0 HG3 ARG A 72 -13.072 1.861 3.710 1.00 70.14 H new ATOM 0 HD2 ARG A 72 -11.277 3.242 2.695 1.00 11.14 H new ATOM 0 HD3 ARG A 72 -11.623 1.799 1.763 1.00 11.14 H new ATOM 0 HE ARG A 72 -12.927 4.349 0.926 1.00 20.23 H new ATOM 0 HH11 ARG A 72 -10.510 1.808 0.312 1.00 63.02 H new ATOM 0 HH12 ARG A 72 -10.232 2.315 -1.357 1.00 63.02 H new ATOM 0 HH21 ARG A 72 -12.556 4.981 -1.229 1.00 2.21 H new ATOM 0 HH22 ARG A 72 -11.388 4.106 -2.225 1.00 2.21 H new ATOM 1251 N ARG A 73 -17.201 0.052 1.718 1.00 43.22 N ATOM 1252 CA ARG A 73 -18.309 -0.311 0.867 1.00 24.22 C ATOM 1253 C ARG A 73 -19.517 -0.666 1.710 1.00 42.34 C ATOM 1254 O ARG A 73 -20.604 -0.104 1.539 1.00 30.31 O ATOM 1255 CB ARG A 73 -17.919 -1.496 -0.012 1.00 53.44 C ATOM 1256 CG ARG A 73 -16.805 -1.195 -0.988 1.00 64.01 C ATOM 1257 CD ARG A 73 -16.366 -2.438 -1.735 1.00 73.51 C ATOM 1258 NE ARG A 73 -15.373 -2.123 -2.762 1.00 34.51 N ATOM 1259 CZ ARG A 73 -14.451 -2.964 -3.234 1.00 12.54 C ATOM 1260 NH1 ARG A 73 -14.270 -4.162 -2.679 1.00 12.11 N ATOM 1261 NH2 ARG A 73 -13.681 -2.589 -4.244 1.00 54.14 N ATOM 0 H ARG A 73 -16.756 -0.741 2.180 1.00 43.22 H new ATOM 0 HA ARG A 73 -18.561 0.537 0.230 1.00 24.22 H new ATOM 0 HB2 ARG A 73 -17.615 -2.325 0.627 1.00 53.44 H new ATOM 0 HB3 ARG A 73 -18.796 -1.827 -0.568 1.00 53.44 H new ATOM 0 HG2 ARG A 73 -17.139 -0.441 -1.700 1.00 64.01 H new ATOM 0 HG3 ARG A 73 -15.955 -0.773 -0.452 1.00 64.01 H new ATOM 0 HD2 ARG A 73 -15.948 -3.158 -1.032 1.00 73.51 H new ATOM 0 HD3 ARG A 73 -17.232 -2.911 -2.198 1.00 73.51 H new ATOM 0 HE ARG A 73 -15.387 -1.180 -3.150 1.00 34.51 H new ATOM 0 HH11 ARG A 73 -14.840 -4.447 -1.883 1.00 12.11 H new ATOM 0 HH12 ARG A 73 -13.561 -4.794 -3.051 1.00 12.11 H new ATOM 0 HH21 ARG A 73 -13.795 -1.663 -4.656 1.00 54.14 H new ATOM 0 HH22 ARG A 73 -12.974 -3.226 -4.610 1.00 54.14 H new ATOM 1275 N VAL A 74 -19.318 -1.561 2.638 1.00 60.24 N ATOM 1276 CA VAL A 74 -20.375 -2.045 3.479 1.00 2.15 C ATOM 1277 C VAL A 74 -19.782 -2.450 4.831 1.00 55.32 C ATOM 1278 O VAL A 74 -18.575 -2.691 4.936 1.00 13.44 O ATOM 1279 CB VAL A 74 -21.073 -3.266 2.789 1.00 42.22 C ATOM 1280 CG1 VAL A 74 -20.111 -4.435 2.585 1.00 14.03 C ATOM 1281 CG2 VAL A 74 -22.321 -3.705 3.525 1.00 15.32 C ATOM 0 H VAL A 74 -18.408 -1.978 2.833 1.00 60.24 H new ATOM 0 HA VAL A 74 -21.122 -1.267 3.637 1.00 2.15 H new ATOM 0 HB VAL A 74 -21.385 -2.923 1.803 1.00 42.22 H new ATOM 0 HG11 VAL A 74 -20.637 -5.259 2.104 1.00 14.03 H new ATOM 0 HG12 VAL A 74 -19.281 -4.117 1.954 1.00 14.03 H new ATOM 0 HG13 VAL A 74 -19.728 -4.764 3.551 1.00 14.03 H new ATOM 0 HG21 VAL A 74 -22.769 -4.554 3.008 1.00 15.32 H new ATOM 0 HG22 VAL A 74 -22.060 -3.996 4.542 1.00 15.32 H new ATOM 0 HG23 VAL A 74 -23.034 -2.881 3.555 1.00 15.32 H new ATOM 1291 N TYR A 75 -20.595 -2.499 5.857 1.00 22.32 N ATOM 1292 CA TYR A 75 -20.114 -2.924 7.147 1.00 13.45 C ATOM 1293 C TYR A 75 -20.022 -4.429 7.185 1.00 33.32 C ATOM 1294 O TYR A 75 -20.674 -5.125 6.388 1.00 54.53 O ATOM 1295 CB TYR A 75 -20.976 -2.395 8.288 1.00 73.22 C ATOM 1296 CG TYR A 75 -21.016 -0.895 8.367 1.00 14.02 C ATOM 1297 CD1 TYR A 75 -19.886 -0.172 8.713 1.00 11.15 C ATOM 1298 CD2 TYR A 75 -22.171 -0.202 8.082 1.00 54.25 C ATOM 1299 CE1 TYR A 75 -19.913 1.200 8.775 1.00 4.12 C ATOM 1300 CE2 TYR A 75 -22.210 1.165 8.141 1.00 53.44 C ATOM 1301 CZ TYR A 75 -21.078 1.864 8.488 1.00 74.52 C ATOM 1302 OH TYR A 75 -21.119 3.233 8.555 1.00 64.34 O ATOM 0 H TYR A 75 -21.584 -2.252 5.825 1.00 22.32 H new ATOM 0 HA TYR A 75 -19.120 -2.502 7.291 1.00 13.45 H new ATOM 0 HB2 TYR A 75 -21.992 -2.771 8.169 1.00 73.22 H new ATOM 0 HB3 TYR A 75 -20.598 -2.790 9.231 1.00 73.22 H new ATOM 0 HD1 TYR A 75 -18.969 -0.696 8.938 1.00 11.15 H new ATOM 0 HD2 TYR A 75 -23.062 -0.747 7.807 1.00 54.25 H new ATOM 0 HE1 TYR A 75 -19.025 1.751 9.047 1.00 4.12 H new ATOM 0 HE2 TYR A 75 -23.126 1.692 7.916 1.00 53.44 H new ATOM 0 HH TYR A 75 -22.018 3.545 8.321 1.00 64.34 H new ATOM 1312 N GLU A 76 -19.231 -4.934 8.085 1.00 33.35 N ATOM 1313 CA GLU A 76 -19.009 -6.345 8.161 1.00 41.02 C ATOM 1314 C GLU A 76 -20.025 -6.992 9.070 1.00 62.14 C ATOM 1315 O GLU A 76 -20.675 -6.314 9.878 1.00 64.35 O ATOM 1316 CB GLU A 76 -17.591 -6.644 8.625 1.00 11.51 C ATOM 1317 CG GLU A 76 -17.244 -6.142 10.009 1.00 11.13 C ATOM 1318 CD GLU A 76 -15.815 -6.435 10.356 1.00 43.52 C ATOM 1319 OE1 GLU A 76 -15.484 -7.609 10.583 1.00 23.14 O ATOM 1320 OE2 GLU A 76 -14.998 -5.491 10.409 1.00 72.21 O ATOM 0 H GLU A 76 -18.726 -4.384 8.780 1.00 33.35 H new ATOM 0 HA GLU A 76 -19.130 -6.767 7.163 1.00 41.02 H new ATOM 0 HB2 GLU A 76 -17.438 -7.723 8.599 1.00 11.51 H new ATOM 0 HB3 GLU A 76 -16.893 -6.205 7.912 1.00 11.51 H new ATOM 0 HG2 GLU A 76 -17.420 -5.068 10.062 1.00 11.13 H new ATOM 0 HG3 GLU A 76 -17.901 -6.609 10.742 1.00 11.13 H new ATOM 1327 N GLU A 77 -20.168 -8.272 8.941 1.00 75.42 N ATOM 1328 CA GLU A 77 -21.109 -9.026 9.711 1.00 44.22 C ATOM 1329 C GLU A 77 -20.642 -10.472 9.856 1.00 21.34 C ATOM 1330 O GLU A 77 -20.100 -10.815 10.924 1.00 38.04 O ATOM 1331 CB GLU A 77 -22.524 -8.907 9.111 1.00 1.14 C ATOM 1332 CG GLU A 77 -22.616 -9.226 7.625 1.00 53.40 C ATOM 1333 CD GLU A 77 -24.012 -9.101 7.110 1.00 21.13 C ATOM 1334 OE1 GLU A 77 -24.762 -10.087 7.178 1.00 64.02 O ATOM 1335 OE2 GLU A 77 -24.391 -7.997 6.635 1.00 52.05 O ATOM 1336 OXT GLU A 77 -20.747 -11.247 8.898 1.00 38.04 O ATOM 0 H GLU A 77 -19.625 -8.834 8.286 1.00 75.42 H new ATOM 0 HA GLU A 77 -21.164 -8.611 10.717 1.00 44.22 H new ATOM 0 HB2 GLU A 77 -23.191 -9.576 9.654 1.00 1.14 H new ATOM 0 HB3 GLU A 77 -22.888 -7.893 9.274 1.00 1.14 H new ATOM 0 HG2 GLU A 77 -21.963 -8.553 7.069 1.00 53.40 H new ATOM 0 HG3 GLU A 77 -22.254 -10.239 7.449 1.00 53.40 H new TER 1343 GLU A 77