USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 983 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 85 MET CE :methyl -171:sc= -1.64! (180deg=-1.98!) USER MOD Set 1.2: A 112 MET CE :methyl 175:sc= -3.83! (180deg=-3.83!) USER MOD Set 2.1: A 74 THR OG1 : rot 66:sc= 1.2 USER MOD Set 2.2: A 109 HIS : no HE2:sc= -1.36 K(o=-0.16,f=-5.4!) USER MOD Set 3.1: A 9 GLN : amide:sc= 0.829 K(o=2.1,f=-13!) USER MOD Set 3.2: A 11 LYS NZ :NH3+ -175:sc= 1.25 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -7:sc= 0.231 USER MOD Single : A 26 CYS SG : rot -84:sc= -0.286! USER MOD Single : A 29 ASN : amide:sc= 0.399 K(o=0.4,f=-5.3!) USER MOD Single : A 39 THR OG1 : rot -29:sc= -0.78 USER MOD Single : A 43 GLN : amide:sc= -2.39! K(o=-2.4!,f=-1.5) USER MOD Single : A 47 GLN : amide:sc= -0.478 K(o=-0.48,f=-3.3!) USER MOD Single : A 54 ASN : amide:sc= -3.74! C(o=-3.7!,f=-5.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.84 K(o=-1.8,f=-4.5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -5.56! C(o=-5.6!,f=-2.2!) USER MOD Single : A 89 LYS NZ :NH3+ -171:sc= -0.0131 (180deg=-0.104) USER MOD Single : A 90 GLN : amide:sc= -1.73! K(o=-1.7!,f=-0.45) USER MOD Single : A 95 SER OG : rot 90:sc= 0.701 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -146:sc= -1.33! (180deg=-3.71!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 50 N ILE A 4 -13.876 -2.518 7.474 1.00 24.23 N ATOM 51 CA ILE A 4 -12.846 -1.895 6.627 1.00 64.32 C ATOM 52 C ILE A 4 -12.912 -0.363 6.673 1.00 23.12 C ATOM 53 O ILE A 4 -13.224 0.226 7.712 1.00 75.23 O ATOM 54 CB ILE A 4 -12.931 -2.392 5.152 1.00 44.02 C ATOM 55 CG1 ILE A 4 -14.251 -1.987 4.480 1.00 65.22 C ATOM 56 CG2 ILE A 4 -12.766 -3.905 5.102 1.00 12.21 C ATOM 57 CD1 ILE A 4 -14.342 -2.383 3.022 1.00 22.23 C ATOM 0 HA ILE A 4 -11.885 -2.204 7.038 1.00 64.32 H new ATOM 0 HB ILE A 4 -12.122 -1.915 4.599 1.00 44.02 H new ATOM 0 HG12 ILE A 4 -15.079 -2.443 5.023 1.00 65.22 H new ATOM 0 HG13 ILE A 4 -14.373 -0.907 4.562 1.00 65.22 H new ATOM 0 HG21 ILE A 4 -12.827 -4.244 4.068 1.00 12.21 H new ATOM 0 HG22 ILE A 4 -11.796 -4.179 5.517 1.00 12.21 H new ATOM 0 HG23 ILE A 4 -13.557 -4.377 5.685 1.00 12.21 H new ATOM 0 HD11 ILE A 4 -15.302 -2.063 2.617 1.00 22.23 H new ATOM 0 HD12 ILE A 4 -13.536 -1.906 2.464 1.00 22.23 H new ATOM 0 HD13 ILE A 4 -14.253 -3.466 2.933 1.00 22.23 H new ATOM 69 N ASP A 5 -12.565 0.277 5.568 1.00 31.00 N ATOM 70 CA ASP A 5 -12.812 1.698 5.400 1.00 22.20 C ATOM 71 C ASP A 5 -13.800 1.879 4.256 1.00 33.44 C ATOM 72 O ASP A 5 -15.007 1.971 4.480 1.00 42.40 O ATOM 73 CB ASP A 5 -11.506 2.457 5.123 1.00 0.50 C ATOM 74 CG ASP A 5 -11.723 3.945 4.917 1.00 63.24 C ATOM 75 OD1 ASP A 5 -11.790 4.685 5.921 1.00 24.31 O ATOM 76 OD2 ASP A 5 -11.813 4.379 3.753 1.00 0.30 O ATOM 0 H ASP A 5 -12.110 -0.168 4.771 1.00 31.00 H new ATOM 0 HA ASP A 5 -13.230 2.109 6.319 1.00 22.20 H new ATOM 0 HB2 ASP A 5 -10.820 2.306 5.956 1.00 0.50 H new ATOM 0 HB3 ASP A 5 -11.028 2.038 4.237 1.00 0.50 H new ATOM 81 N ASP A 6 -13.272 1.876 3.035 1.00 65.22 N ATOM 82 CA ASP A 6 -14.066 1.904 1.810 1.00 0.53 C ATOM 83 C ASP A 6 -13.108 2.134 0.651 1.00 32.11 C ATOM 84 O ASP A 6 -11.893 2.018 0.826 1.00 70.32 O ATOM 85 CB ASP A 6 -15.125 3.020 1.842 1.00 34.32 C ATOM 86 CG ASP A 6 -16.330 2.707 0.975 1.00 13.20 C ATOM 87 OD1 ASP A 6 -16.240 2.858 -0.260 1.00 64.43 O ATOM 88 OD2 ASP A 6 -17.378 2.305 1.525 1.00 13.14 O ATOM 0 H ASP A 6 -12.266 1.854 2.866 1.00 65.22 H new ATOM 0 HA ASP A 6 -14.600 0.960 1.702 1.00 0.53 H new ATOM 0 HB2 ASP A 6 -15.452 3.175 2.870 1.00 34.32 H new ATOM 0 HB3 ASP A 6 -14.674 3.954 1.507 1.00 34.32 H new ATOM 93 N TYR A 7 -13.636 2.444 -0.520 1.00 12.40 N ATOM 94 CA TYR A 7 -12.806 2.849 -1.643 1.00 2.31 C ATOM 95 C TYR A 7 -13.634 3.611 -2.677 1.00 65.11 C ATOM 96 O TYR A 7 -13.871 3.136 -3.787 1.00 71.52 O ATOM 97 CB TYR A 7 -12.057 1.653 -2.268 1.00 50.22 C ATOM 98 CG TYR A 7 -12.920 0.503 -2.763 1.00 52.23 C ATOM 99 CD1 TYR A 7 -13.641 -0.297 -1.883 1.00 4.33 C ATOM 100 CD2 TYR A 7 -12.978 0.201 -4.117 1.00 23.13 C ATOM 101 CE1 TYR A 7 -14.394 -1.364 -2.341 1.00 33.15 C ATOM 102 CE2 TYR A 7 -13.733 -0.857 -4.584 1.00 61.31 C ATOM 103 CZ TYR A 7 -14.438 -1.638 -3.693 1.00 42.54 C ATOM 104 OH TYR A 7 -15.182 -2.704 -4.153 1.00 11.44 O ATOM 0 H TYR A 7 -14.636 2.423 -0.719 1.00 12.40 H new ATOM 0 HA TYR A 7 -12.040 3.526 -1.265 1.00 2.31 H new ATOM 0 HB2 TYR A 7 -11.463 2.020 -3.105 1.00 50.22 H new ATOM 0 HB3 TYR A 7 -11.358 1.263 -1.528 1.00 50.22 H new ATOM 0 HD1 TYR A 7 -13.613 -0.082 -0.825 1.00 4.33 H new ATOM 0 HD2 TYR A 7 -12.422 0.805 -4.819 1.00 23.13 H new ATOM 0 HE1 TYR A 7 -14.944 -1.979 -1.644 1.00 33.15 H new ATOM 0 HE2 TYR A 7 -13.771 -1.071 -5.642 1.00 61.31 H new ATOM 0 HH TYR A 7 -15.108 -2.758 -5.129 1.00 11.44 H new ATOM 114 N PRO A 8 -14.121 4.810 -2.305 1.00 1.23 N ATOM 115 CA PRO A 8 -14.883 5.667 -3.200 1.00 40.33 C ATOM 116 C PRO A 8 -13.989 6.675 -3.921 1.00 25.11 C ATOM 117 O PRO A 8 -14.432 7.400 -4.812 1.00 5.40 O ATOM 118 CB PRO A 8 -15.848 6.376 -2.248 1.00 62.52 C ATOM 119 CG PRO A 8 -15.144 6.435 -0.923 1.00 2.21 C ATOM 120 CD PRO A 8 -13.991 5.421 -0.971 1.00 24.01 C ATOM 0 HA PRO A 8 -15.380 5.112 -3.996 1.00 40.33 H new ATOM 0 HB2 PRO A 8 -16.089 7.376 -2.608 1.00 62.52 H new ATOM 0 HB3 PRO A 8 -16.789 5.831 -2.167 1.00 62.52 H new ATOM 0 HG2 PRO A 8 -14.765 7.439 -0.734 1.00 2.21 H new ATOM 0 HG3 PRO A 8 -15.832 6.196 -0.112 1.00 2.21 H new ATOM 0 HD2 PRO A 8 -13.024 5.908 -0.846 1.00 24.01 H new ATOM 0 HD3 PRO A 8 -14.078 4.677 -0.179 1.00 24.01 H new ATOM 128 N GLN A 9 -12.725 6.708 -3.528 1.00 70.31 N ATOM 129 CA GLN A 9 -11.763 7.614 -4.124 1.00 62.13 C ATOM 130 C GLN A 9 -10.898 6.877 -5.133 1.00 65.23 C ATOM 131 O GLN A 9 -10.290 5.857 -4.811 1.00 11.54 O ATOM 132 CB GLN A 9 -10.889 8.261 -3.044 1.00 44.54 C ATOM 133 CG GLN A 9 -9.762 9.116 -3.602 1.00 3.24 C ATOM 134 CD GLN A 9 -8.386 8.521 -3.356 1.00 53.24 C ATOM 135 OE1 GLN A 9 -7.401 9.248 -3.248 1.00 42.55 O ATOM 136 NE2 GLN A 9 -8.306 7.201 -3.272 1.00 61.42 N ATOM 0 H GLN A 9 -12.342 6.112 -2.794 1.00 70.31 H new ATOM 0 HA GLN A 9 -12.309 8.403 -4.642 1.00 62.13 H new ATOM 0 HB2 GLN A 9 -11.517 8.878 -2.402 1.00 44.54 H new ATOM 0 HB3 GLN A 9 -10.463 7.478 -2.416 1.00 44.54 H new ATOM 0 HG2 GLN A 9 -9.909 9.246 -4.674 1.00 3.24 H new ATOM 0 HG3 GLN A 9 -9.809 10.107 -3.151 1.00 3.24 H new ATOM 0 HE21 GLN A 9 -9.147 6.632 -3.367 1.00 61.42 H new ATOM 0 HE22 GLN A 9 -7.403 6.754 -3.112 1.00 61.42 H new ATOM 145 N ALA A 10 -10.840 7.404 -6.344 1.00 14.15 N ATOM 146 CA ALA A 10 -10.024 6.826 -7.395 1.00 31.21 C ATOM 147 C ALA A 10 -9.486 7.931 -8.289 1.00 53.41 C ATOM 148 O ALA A 10 -9.953 8.125 -9.412 1.00 74.42 O ATOM 149 CB ALA A 10 -10.828 5.818 -8.207 1.00 54.42 C ATOM 0 H ALA A 10 -11.354 8.239 -6.624 1.00 14.15 H new ATOM 0 HA ALA A 10 -9.185 6.297 -6.943 1.00 31.21 H new ATOM 0 HB1 ALA A 10 -10.198 5.396 -8.990 1.00 54.42 H new ATOM 0 HB2 ALA A 10 -11.177 5.019 -7.553 1.00 54.42 H new ATOM 0 HB3 ALA A 10 -11.685 6.316 -8.660 1.00 54.42 H new ATOM 155 N LYS A 11 -8.532 8.686 -7.762 1.00 31.45 N ATOM 156 CA LYS A 11 -7.939 9.788 -8.502 1.00 3.45 C ATOM 157 C LYS A 11 -6.906 9.257 -9.482 1.00 60.22 C ATOM 158 O LYS A 11 -6.626 8.061 -9.507 1.00 62.54 O ATOM 159 CB LYS A 11 -7.273 10.798 -7.557 1.00 72.35 C ATOM 160 CG LYS A 11 -8.130 11.215 -6.370 1.00 25.43 C ATOM 161 CD LYS A 11 -7.592 12.485 -5.728 1.00 23.44 C ATOM 162 CE LYS A 11 -8.257 12.777 -4.391 1.00 41.31 C ATOM 163 NZ LYS A 11 -7.641 12.006 -3.275 1.00 21.54 N ATOM 0 H LYS A 11 -8.153 8.554 -6.824 1.00 31.45 H new ATOM 0 HA LYS A 11 -8.737 10.296 -9.044 1.00 3.45 H new ATOM 0 HB2 LYS A 11 -6.343 10.368 -7.184 1.00 72.35 H new ATOM 0 HB3 LYS A 11 -7.007 11.688 -8.127 1.00 72.35 H new ATOM 0 HG2 LYS A 11 -9.157 11.376 -6.697 1.00 25.43 H new ATOM 0 HG3 LYS A 11 -8.152 10.412 -5.633 1.00 25.43 H new ATOM 0 HD2 LYS A 11 -6.516 12.390 -5.584 1.00 23.44 H new ATOM 0 HD3 LYS A 11 -7.750 13.327 -6.402 1.00 23.44 H new ATOM 0 HE2 LYS A 11 -8.185 13.843 -4.177 1.00 41.31 H new ATOM 0 HE3 LYS A 11 -9.318 12.536 -4.455 1.00 41.31 H new ATOM 0 HZ1 LYS A 11 -8.179 12.171 -2.400 1.00 21.54 H new ATOM 0 HZ2 LYS A 11 -7.656 10.992 -3.504 1.00 21.54 H new ATOM 0 HZ3 LYS A 11 -6.657 12.316 -3.140 1.00 21.54 H new ATOM 177 N ARG A 12 -6.374 10.143 -10.302 1.00 54.44 N ATOM 178 CA ARG A 12 -5.243 9.810 -11.159 1.00 62.13 C ATOM 179 C ARG A 12 -4.183 10.903 -11.085 1.00 72.23 C ATOM 180 O ARG A 12 -3.061 10.668 -10.640 1.00 24.22 O ATOM 181 CB ARG A 12 -5.671 9.615 -12.620 1.00 11.14 C ATOM 182 CG ARG A 12 -6.578 8.420 -12.857 1.00 60.55 C ATOM 183 CD ARG A 12 -6.664 8.091 -14.338 1.00 10.42 C ATOM 184 NE ARG A 12 -5.349 7.758 -14.889 1.00 0.53 N ATOM 185 CZ ARG A 12 -5.068 7.665 -16.188 1.00 11.23 C ATOM 186 NH1 ARG A 12 -6.004 7.873 -17.108 1.00 43.21 N ATOM 187 NH2 ARG A 12 -3.837 7.347 -16.562 1.00 52.20 N ATOM 0 H ARG A 12 -6.705 11.103 -10.396 1.00 54.44 H new ATOM 0 HA ARG A 12 -4.830 8.869 -10.796 1.00 62.13 H new ATOM 0 HB2 ARG A 12 -6.182 10.516 -12.959 1.00 11.14 H new ATOM 0 HB3 ARG A 12 -4.778 9.505 -13.235 1.00 11.14 H new ATOM 0 HG2 ARG A 12 -6.199 7.557 -12.310 1.00 60.55 H new ATOM 0 HG3 ARG A 12 -7.574 8.632 -12.469 1.00 60.55 H new ATOM 0 HD2 ARG A 12 -7.345 7.253 -14.487 1.00 10.42 H new ATOM 0 HD3 ARG A 12 -7.081 8.941 -14.877 1.00 10.42 H new ATOM 0 HE ARG A 12 -4.591 7.584 -14.229 1.00 0.53 H new ATOM 0 HH11 ARG A 12 -6.955 8.108 -16.824 1.00 43.21 H new ATOM 0 HH12 ARG A 12 -5.771 7.798 -18.098 1.00 43.21 H new ATOM 0 HH21 ARG A 12 -3.118 7.177 -15.859 1.00 52.20 H new ATOM 0 HH22 ARG A 12 -3.608 7.272 -17.553 1.00 52.20 H new ATOM 201 N VAL A 13 -4.559 12.102 -11.507 1.00 74.02 N ATOM 202 CA VAL A 13 -3.623 13.221 -11.587 1.00 74.24 C ATOM 203 C VAL A 13 -3.303 13.830 -10.213 1.00 75.10 C ATOM 204 O VAL A 13 -2.133 13.925 -9.851 1.00 73.23 O ATOM 205 CB VAL A 13 -4.139 14.330 -12.533 1.00 51.34 C ATOM 206 CG1 VAL A 13 -3.130 15.466 -12.629 1.00 42.30 C ATOM 207 CG2 VAL A 13 -4.434 13.761 -13.913 1.00 41.13 C ATOM 0 H VAL A 13 -5.509 12.328 -11.801 1.00 74.02 H new ATOM 0 HA VAL A 13 -2.702 12.803 -11.992 1.00 74.24 H new ATOM 0 HB VAL A 13 -5.066 14.728 -12.119 1.00 51.34 H new ATOM 0 HG11 VAL A 13 -3.512 16.236 -13.299 1.00 42.30 H new ATOM 0 HG12 VAL A 13 -2.968 15.894 -11.640 1.00 42.30 H new ATOM 0 HG13 VAL A 13 -2.186 15.083 -13.017 1.00 42.30 H new ATOM 0 HG21 VAL A 13 -4.796 14.556 -14.565 1.00 41.13 H new ATOM 0 HG22 VAL A 13 -3.523 13.334 -14.333 1.00 41.13 H new ATOM 0 HG23 VAL A 13 -5.194 12.984 -13.831 1.00 41.13 H new ATOM 217 N PRO A 14 -4.317 14.250 -9.417 1.00 64.11 N ATOM 218 CA PRO A 14 -4.084 14.973 -8.151 1.00 70.24 C ATOM 219 C PRO A 14 -3.530 14.089 -7.032 1.00 31.41 C ATOM 220 O PRO A 14 -3.445 14.520 -5.881 1.00 15.52 O ATOM 221 CB PRO A 14 -5.472 15.510 -7.753 1.00 74.45 C ATOM 222 CG PRO A 14 -6.354 15.270 -8.931 1.00 62.12 C ATOM 223 CD PRO A 14 -5.753 14.080 -9.666 1.00 73.35 C ATOM 0 HA PRO A 14 -3.332 15.749 -8.294 1.00 70.24 H new ATOM 0 HB2 PRO A 14 -5.851 14.996 -6.870 1.00 74.45 H new ATOM 0 HB3 PRO A 14 -5.425 16.571 -7.509 1.00 74.45 H new ATOM 0 HG2 PRO A 14 -7.376 15.060 -8.617 1.00 62.12 H new ATOM 0 HG3 PRO A 14 -6.393 16.148 -9.575 1.00 62.12 H new ATOM 0 HD2 PRO A 14 -6.124 13.132 -9.276 1.00 73.35 H new ATOM 0 HD3 PRO A 14 -5.986 14.100 -10.731 1.00 73.35 H new ATOM 231 N GLY A 15 -3.147 12.868 -7.367 1.00 22.23 N ATOM 232 CA GLY A 15 -2.621 11.962 -6.371 1.00 40.11 C ATOM 233 C GLY A 15 -3.705 11.129 -5.727 1.00 71.10 C ATOM 234 O GLY A 15 -4.647 11.661 -5.135 1.00 32.14 O ATOM 0 H GLY A 15 -3.191 12.488 -8.313 1.00 22.23 H new ATOM 0 HA2 GLY A 15 -1.886 11.303 -6.834 1.00 40.11 H new ATOM 0 HA3 GLY A 15 -2.099 12.533 -5.603 1.00 40.11 H new ATOM 238 N LEU A 16 -3.574 9.821 -5.835 1.00 53.24 N ATOM 239 CA LEU A 16 -4.563 8.911 -5.285 1.00 52.53 C ATOM 240 C LEU A 16 -3.926 7.991 -4.268 1.00 64.54 C ATOM 241 O LEU A 16 -2.712 8.010 -4.064 1.00 74.44 O ATOM 242 CB LEU A 16 -5.217 8.067 -6.378 1.00 22.50 C ATOM 243 CG LEU A 16 -4.259 7.154 -7.145 1.00 44.14 C ATOM 244 CD1 LEU A 16 -4.924 5.828 -7.475 1.00 75.34 C ATOM 245 CD2 LEU A 16 -3.784 7.835 -8.416 1.00 1.13 C ATOM 0 H LEU A 16 -2.790 9.363 -6.300 1.00 53.24 H new ATOM 0 HA LEU A 16 -5.330 9.519 -4.805 1.00 52.53 H new ATOM 0 HB2 LEU A 16 -5.997 7.454 -5.926 1.00 22.50 H new ATOM 0 HB3 LEU A 16 -5.707 8.734 -7.088 1.00 22.50 H new ATOM 0 HG LEU A 16 -3.396 6.955 -6.510 1.00 44.14 H new ATOM 0 HD11 LEU A 16 -4.224 5.195 -8.020 1.00 75.34 H new ATOM 0 HD12 LEU A 16 -5.220 5.330 -6.552 1.00 75.34 H new ATOM 0 HD13 LEU A 16 -5.806 6.006 -8.090 1.00 75.34 H new ATOM 0 HD21 LEU A 16 -3.103 7.173 -8.951 1.00 1.13 H new ATOM 0 HD22 LEU A 16 -4.642 8.062 -9.049 1.00 1.13 H new ATOM 0 HD23 LEU A 16 -3.266 8.760 -8.162 1.00 1.13 H new ATOM 257 N VAL A 17 -4.744 7.170 -3.653 1.00 62.44 N ATOM 258 CA VAL A 17 -4.267 6.235 -2.663 1.00 61.33 C ATOM 259 C VAL A 17 -5.163 5.006 -2.607 1.00 2.42 C ATOM 260 O VAL A 17 -6.391 5.115 -2.647 1.00 4.31 O ATOM 261 CB VAL A 17 -4.174 6.892 -1.271 1.00 31.21 C ATOM 262 CG1 VAL A 17 -5.476 7.566 -0.890 1.00 20.35 C ATOM 263 CG2 VAL A 17 -3.779 5.869 -0.220 1.00 44.23 C ATOM 0 H VAL A 17 -5.749 7.131 -3.823 1.00 62.44 H new ATOM 0 HA VAL A 17 -3.265 5.924 -2.959 1.00 61.33 H new ATOM 0 HB VAL A 17 -3.401 7.659 -1.319 1.00 31.21 H new ATOM 0 HG11 VAL A 17 -5.376 8.019 0.096 1.00 20.35 H new ATOM 0 HG12 VAL A 17 -5.714 8.338 -1.622 1.00 20.35 H new ATOM 0 HG13 VAL A 17 -6.276 6.826 -0.870 1.00 20.35 H new ATOM 0 HG21 VAL A 17 -3.719 6.353 0.755 1.00 44.23 H new ATOM 0 HG22 VAL A 17 -4.526 5.076 -0.186 1.00 44.23 H new ATOM 0 HG23 VAL A 17 -2.808 5.443 -0.474 1.00 44.23 H new ATOM 273 N VAL A 18 -4.539 3.840 -2.549 1.00 52.20 N ATOM 274 CA VAL A 18 -5.263 2.592 -2.402 1.00 51.01 C ATOM 275 C VAL A 18 -5.072 2.058 -0.992 1.00 43.04 C ATOM 276 O VAL A 18 -3.952 1.752 -0.575 1.00 5.33 O ATOM 277 CB VAL A 18 -4.805 1.528 -3.426 1.00 43.41 C ATOM 278 CG1 VAL A 18 -5.625 0.251 -3.279 1.00 54.52 C ATOM 279 CG2 VAL A 18 -4.901 2.071 -4.846 1.00 32.31 C ATOM 0 H VAL A 18 -3.526 3.734 -2.602 1.00 52.20 H new ATOM 0 HA VAL A 18 -6.317 2.797 -2.590 1.00 51.01 H new ATOM 0 HB VAL A 18 -3.761 1.287 -3.224 1.00 43.41 H new ATOM 0 HG11 VAL A 18 -5.287 -0.485 -4.009 1.00 54.52 H new ATOM 0 HG12 VAL A 18 -5.497 -0.150 -2.274 1.00 54.52 H new ATOM 0 HG13 VAL A 18 -6.678 0.473 -3.450 1.00 54.52 H new ATOM 0 HG21 VAL A 18 -4.574 1.306 -5.551 1.00 32.31 H new ATOM 0 HG22 VAL A 18 -5.934 2.345 -5.062 1.00 32.31 H new ATOM 0 HG23 VAL A 18 -4.264 2.950 -4.943 1.00 32.31 H new ATOM 289 N TYR A 19 -6.160 1.956 -0.258 1.00 50.54 N ATOM 290 CA TYR A 19 -6.092 1.558 1.134 1.00 43.01 C ATOM 291 C TYR A 19 -6.047 0.045 1.259 1.00 62.32 C ATOM 292 O TYR A 19 -6.605 -0.678 0.430 1.00 12.11 O ATOM 293 CB TYR A 19 -7.298 2.085 1.911 1.00 1.12 C ATOM 294 CG TYR A 19 -7.708 3.494 1.550 1.00 32.22 C ATOM 295 CD1 TYR A 19 -6.996 4.591 2.016 1.00 61.35 C ATOM 296 CD2 TYR A 19 -8.817 3.724 0.745 1.00 60.54 C ATOM 297 CE1 TYR A 19 -7.377 5.879 1.687 1.00 14.34 C ATOM 298 CE2 TYR A 19 -9.206 5.006 0.414 1.00 33.11 C ATOM 299 CZ TYR A 19 -8.483 6.080 0.888 1.00 35.34 C ATOM 300 OH TYR A 19 -8.867 7.360 0.559 1.00 11.13 O ATOM 0 H TYR A 19 -7.102 2.143 -0.601 1.00 50.54 H new ATOM 0 HA TYR A 19 -5.180 1.984 1.552 1.00 43.01 H new ATOM 0 HB2 TYR A 19 -8.144 1.419 1.740 1.00 1.12 H new ATOM 0 HB3 TYR A 19 -7.073 2.047 2.977 1.00 1.12 H new ATOM 0 HD1 TYR A 19 -6.132 4.436 2.645 1.00 61.35 H new ATOM 0 HD2 TYR A 19 -9.385 2.884 0.372 1.00 60.54 H new ATOM 0 HE1 TYR A 19 -6.812 6.723 2.054 1.00 14.34 H new ATOM 0 HE2 TYR A 19 -10.071 5.167 -0.212 1.00 33.11 H new ATOM 0 HH TYR A 19 -9.664 7.326 -0.011 1.00 11.13 H new ATOM 310 N ARG A 20 -5.373 -0.429 2.290 1.00 42.22 N ATOM 311 CA ARG A 20 -5.411 -1.834 2.640 1.00 13.15 C ATOM 312 C ARG A 20 -6.579 -2.058 3.587 1.00 63.33 C ATOM 313 O ARG A 20 -6.580 -1.570 4.715 1.00 62.20 O ATOM 314 CB ARG A 20 -4.076 -2.275 3.251 1.00 70.22 C ATOM 315 CG ARG A 20 -2.934 -2.223 2.246 1.00 43.22 C ATOM 316 CD ARG A 20 -1.569 -2.332 2.904 1.00 1.13 C ATOM 317 NE ARG A 20 -1.278 -3.671 3.420 1.00 31.33 N ATOM 318 CZ ARG A 20 -0.214 -3.942 4.174 1.00 71.44 C ATOM 319 NH1 ARG A 20 0.648 -2.982 4.464 1.00 3.12 N ATOM 320 NH2 ARG A 20 0.014 -5.170 4.617 1.00 30.10 N ATOM 0 H ARG A 20 -4.790 0.143 2.902 1.00 42.22 H new ATOM 0 HA ARG A 20 -5.558 -2.445 1.749 1.00 13.15 H new ATOM 0 HB2 ARG A 20 -3.839 -1.634 4.100 1.00 70.22 H new ATOM 0 HB3 ARG A 20 -4.173 -3.291 3.635 1.00 70.22 H new ATOM 0 HG2 ARG A 20 -3.052 -3.033 1.526 1.00 43.22 H new ATOM 0 HG3 ARG A 20 -2.990 -1.289 1.687 1.00 43.22 H new ATOM 0 HD2 ARG A 20 -0.802 -2.055 2.181 1.00 1.13 H new ATOM 0 HD3 ARG A 20 -1.510 -1.614 3.722 1.00 1.13 H new ATOM 0 HE ARG A 20 -1.919 -4.431 3.192 1.00 31.33 H new ATOM 0 HH11 ARG A 20 0.497 -2.037 4.111 1.00 3.12 H new ATOM 0 HH12 ARG A 20 1.464 -3.186 5.041 1.00 3.12 H new ATOM 0 HH21 ARG A 20 -0.630 -5.925 4.382 1.00 30.10 H new ATOM 0 HH22 ARG A 20 0.834 -5.360 5.193 1.00 30.10 H new ATOM 334 N TYR A 21 -7.592 -2.756 3.083 1.00 31.41 N ATOM 335 CA TYR A 21 -8.874 -2.894 3.768 1.00 24.35 C ATOM 336 C TYR A 21 -8.715 -3.456 5.172 1.00 5.21 C ATOM 337 O TYR A 21 -8.027 -4.455 5.382 1.00 73.03 O ATOM 338 CB TYR A 21 -9.811 -3.781 2.949 1.00 21.50 C ATOM 339 CG TYR A 21 -9.993 -3.297 1.527 1.00 4.22 C ATOM 340 CD1 TYR A 21 -10.835 -2.230 1.242 1.00 21.11 C ATOM 341 CD2 TYR A 21 -9.318 -3.902 0.473 1.00 53.11 C ATOM 342 CE1 TYR A 21 -10.996 -1.776 -0.052 1.00 61.15 C ATOM 343 CE2 TYR A 21 -9.477 -3.454 -0.824 1.00 32.22 C ATOM 344 CZ TYR A 21 -10.316 -2.392 -1.083 1.00 61.01 C ATOM 345 OH TYR A 21 -10.470 -1.940 -2.373 1.00 42.04 O ATOM 0 H TYR A 21 -7.548 -3.242 2.188 1.00 31.41 H new ATOM 0 HA TYR A 21 -9.305 -1.897 3.863 1.00 24.35 H new ATOM 0 HB2 TYR A 21 -9.418 -4.798 2.933 1.00 21.50 H new ATOM 0 HB3 TYR A 21 -10.783 -3.823 3.440 1.00 21.50 H new ATOM 0 HD1 TYR A 21 -11.372 -1.748 2.045 1.00 21.11 H new ATOM 0 HD2 TYR A 21 -8.659 -4.735 0.671 1.00 53.11 H new ATOM 0 HE1 TYR A 21 -11.651 -0.942 -0.257 1.00 61.15 H new ATOM 0 HE2 TYR A 21 -8.946 -3.934 -1.632 1.00 32.22 H new ATOM 0 HH TYR A 21 -11.175 -1.259 -2.399 1.00 42.04 H new ATOM 355 N ASP A 22 -9.370 -2.803 6.128 1.00 1.13 N ATOM 356 CA ASP A 22 -9.286 -3.196 7.527 1.00 22.44 C ATOM 357 C ASP A 22 -10.195 -4.392 7.800 1.00 14.00 C ATOM 358 O ASP A 22 -11.266 -4.260 8.394 1.00 13.52 O ATOM 359 CB ASP A 22 -9.662 -2.019 8.433 1.00 23.34 C ATOM 360 CG ASP A 22 -9.055 -2.126 9.817 1.00 1.54 C ATOM 361 OD1 ASP A 22 -9.594 -2.869 10.663 1.00 54.34 O ATOM 362 OD2 ASP A 22 -8.040 -1.451 10.070 1.00 31.11 O ATOM 0 H ASP A 22 -9.968 -1.995 5.955 1.00 1.13 H new ATOM 0 HA ASP A 22 -8.259 -3.487 7.745 1.00 22.44 H new ATOM 0 HB2 ASP A 22 -9.334 -1.089 7.968 1.00 23.34 H new ATOM 0 HB3 ASP A 22 -10.747 -1.966 8.520 1.00 23.34 H new ATOM 367 N ALA A 23 -9.768 -5.547 7.306 1.00 75.14 N ATOM 368 CA ALA A 23 -10.462 -6.812 7.503 1.00 35.45 C ATOM 369 C ALA A 23 -9.622 -7.939 6.927 1.00 34.25 C ATOM 370 O ALA A 23 -8.991 -7.767 5.890 1.00 1.43 O ATOM 371 CB ALA A 23 -11.825 -6.804 6.840 1.00 50.21 C ATOM 0 H ALA A 23 -8.918 -5.632 6.749 1.00 75.14 H new ATOM 0 HA ALA A 23 -10.608 -6.960 8.573 1.00 35.45 H new ATOM 0 HB1 ALA A 23 -12.316 -7.763 7.006 1.00 50.21 H new ATOM 0 HB2 ALA A 23 -12.433 -6.006 7.267 1.00 50.21 H new ATOM 0 HB3 ALA A 23 -11.708 -6.637 5.769 1.00 50.21 H new ATOM 377 N PRO A 24 -9.572 -9.094 7.599 1.00 72.13 N ATOM 378 CA PRO A 24 -8.732 -10.221 7.176 1.00 3.35 C ATOM 379 C PRO A 24 -9.113 -10.794 5.818 1.00 11.13 C ATOM 380 O PRO A 24 -10.064 -11.566 5.701 1.00 2.32 O ATOM 381 CB PRO A 24 -8.944 -11.277 8.266 1.00 2.12 C ATOM 382 CG PRO A 24 -9.455 -10.515 9.431 1.00 23.11 C ATOM 383 CD PRO A 24 -10.302 -9.398 8.834 1.00 72.12 C ATOM 0 HA PRO A 24 -7.697 -9.900 7.060 1.00 3.35 H new ATOM 0 HB2 PRO A 24 -9.656 -12.038 7.947 1.00 2.12 H new ATOM 0 HB3 PRO A 24 -8.013 -11.791 8.506 1.00 2.12 H new ATOM 0 HG2 PRO A 24 -10.048 -11.151 10.089 1.00 23.11 H new ATOM 0 HG3 PRO A 24 -8.637 -10.113 10.029 1.00 23.11 H new ATOM 0 HD2 PRO A 24 -11.324 -9.721 8.636 1.00 72.12 H new ATOM 0 HD3 PRO A 24 -10.364 -8.534 9.495 1.00 72.12 H new ATOM 391 N LEU A 25 -8.368 -10.404 4.792 1.00 34.43 N ATOM 392 CA LEU A 25 -8.479 -11.052 3.497 1.00 64.34 C ATOM 393 C LEU A 25 -7.305 -12.001 3.305 1.00 53.53 C ATOM 394 O LEU A 25 -7.249 -12.755 2.326 1.00 75.31 O ATOM 395 CB LEU A 25 -8.614 -10.056 2.306 1.00 60.14 C ATOM 396 CG LEU A 25 -7.601 -8.886 2.150 1.00 33.34 C ATOM 397 CD1 LEU A 25 -7.887 -7.753 3.123 1.00 74.23 C ATOM 398 CD2 LEU A 25 -6.153 -9.341 2.277 1.00 73.13 C ATOM 0 H LEU A 25 -7.685 -9.647 4.833 1.00 34.43 H new ATOM 0 HA LEU A 25 -9.411 -11.617 3.495 1.00 64.34 H new ATOM 0 HB2 LEU A 25 -8.576 -10.642 1.388 1.00 60.14 H new ATOM 0 HB3 LEU A 25 -9.610 -9.617 2.362 1.00 60.14 H new ATOM 0 HG LEU A 25 -7.738 -8.510 1.136 1.00 33.34 H new ATOM 0 HD11 LEU A 25 -7.156 -6.957 2.980 1.00 74.23 H new ATOM 0 HD12 LEU A 25 -8.889 -7.363 2.943 1.00 74.23 H new ATOM 0 HD13 LEU A 25 -7.822 -8.126 4.145 1.00 74.23 H new ATOM 0 HD21 LEU A 25 -5.491 -8.483 2.160 1.00 73.13 H new ATOM 0 HD22 LEU A 25 -5.997 -9.789 3.259 1.00 73.13 H new ATOM 0 HD23 LEU A 25 -5.934 -10.077 1.504 1.00 73.13 H new ATOM 410 N CYS A 26 -6.370 -11.944 4.258 1.00 72.53 N ATOM 411 CA CYS A 26 -5.195 -12.809 4.264 1.00 64.23 C ATOM 412 C CYS A 26 -4.349 -12.539 3.022 1.00 13.34 C ATOM 413 O CYS A 26 -3.658 -11.524 2.962 1.00 63.40 O ATOM 414 CB CYS A 26 -5.600 -14.288 4.359 1.00 61.22 C ATOM 415 SG CYS A 26 -4.229 -15.419 4.682 1.00 25.12 S ATOM 0 H CYS A 26 -6.410 -11.296 5.045 1.00 72.53 H new ATOM 0 HA CYS A 26 -4.595 -12.584 5.145 1.00 64.23 H new ATOM 0 HB2 CYS A 26 -6.341 -14.399 5.151 1.00 61.22 H new ATOM 0 HB3 CYS A 26 -6.084 -14.580 3.427 1.00 61.22 H new ATOM 0 HG CYS A 26 -3.635 -15.712 3.563 1.00 25.12 H new ATOM 421 N PHE A 27 -4.418 -13.422 2.029 1.00 15.34 N ATOM 422 CA PHE A 27 -3.757 -13.180 0.750 1.00 21.00 C ATOM 423 C PHE A 27 -4.273 -14.131 -0.323 1.00 43.42 C ATOM 424 O PHE A 27 -3.682 -14.233 -1.398 1.00 24.25 O ATOM 425 CB PHE A 27 -2.231 -13.302 0.869 1.00 44.14 C ATOM 426 CG PHE A 27 -1.716 -14.702 1.087 1.00 3.34 C ATOM 427 CD1 PHE A 27 -1.979 -15.383 2.264 1.00 65.03 C ATOM 428 CD2 PHE A 27 -0.952 -15.327 0.115 1.00 24.03 C ATOM 429 CE1 PHE A 27 -1.493 -16.660 2.468 1.00 63.42 C ATOM 430 CE2 PHE A 27 -0.465 -16.605 0.312 1.00 64.23 C ATOM 431 CZ PHE A 27 -0.736 -17.272 1.492 1.00 51.12 C ATOM 0 H PHE A 27 -4.922 -14.307 2.085 1.00 15.34 H new ATOM 0 HA PHE A 27 -3.995 -12.158 0.457 1.00 21.00 H new ATOM 0 HB2 PHE A 27 -1.778 -12.902 -0.038 1.00 44.14 H new ATOM 0 HB3 PHE A 27 -1.895 -12.675 1.695 1.00 44.14 H new ATOM 0 HD1 PHE A 27 -2.572 -14.909 3.033 1.00 65.03 H new ATOM 0 HD2 PHE A 27 -0.734 -14.809 -0.808 1.00 24.03 H new ATOM 0 HE1 PHE A 27 -1.706 -17.178 3.391 1.00 63.42 H new ATOM 0 HE2 PHE A 27 0.127 -17.082 -0.455 1.00 64.23 H new ATOM 0 HZ PHE A 27 -0.355 -18.270 1.649 1.00 51.12 H new ATOM 441 N ALA A 28 -5.401 -14.780 -0.040 1.00 44.03 N ATOM 442 CA ALA A 28 -5.966 -15.796 -0.932 1.00 42.45 C ATOM 443 C ALA A 28 -6.067 -15.299 -2.370 1.00 45.21 C ATOM 444 O ALA A 28 -5.593 -15.948 -3.303 1.00 12.53 O ATOM 445 CB ALA A 28 -7.340 -16.207 -0.432 1.00 2.42 C ATOM 0 H ALA A 28 -5.947 -14.620 0.807 1.00 44.03 H new ATOM 0 HA ALA A 28 -5.295 -16.655 -0.926 1.00 42.45 H new ATOM 0 HB1 ALA A 28 -7.758 -16.963 -1.097 1.00 2.42 H new ATOM 0 HB2 ALA A 28 -7.253 -16.617 0.574 1.00 2.42 H new ATOM 0 HB3 ALA A 28 -7.996 -15.337 -0.414 1.00 2.42 H new ATOM 451 N ASN A 29 -6.683 -14.143 -2.534 1.00 42.51 N ATOM 452 CA ASN A 29 -6.875 -13.547 -3.847 1.00 21.33 C ATOM 453 C ASN A 29 -5.986 -12.322 -4.010 1.00 52.10 C ATOM 454 O ASN A 29 -5.995 -11.673 -5.053 1.00 61.30 O ATOM 455 CB ASN A 29 -8.344 -13.139 -4.023 1.00 14.42 C ATOM 456 CG ASN A 29 -8.769 -12.062 -3.035 1.00 10.02 C ATOM 457 OD1 ASN A 29 -8.240 -11.972 -1.922 1.00 64.25 O ATOM 458 ND2 ASN A 29 -9.732 -11.243 -3.418 1.00 12.43 N ATOM 0 H ASN A 29 -7.064 -13.591 -1.765 1.00 42.51 H new ATOM 0 HA ASN A 29 -6.606 -14.283 -4.605 1.00 21.33 H new ATOM 0 HB2 ASN A 29 -8.499 -12.777 -5.040 1.00 14.42 H new ATOM 0 HB3 ASN A 29 -8.979 -14.016 -3.897 1.00 14.42 H new ATOM 0 HD21 ASN A 29 -10.059 -10.510 -2.788 1.00 12.43 H new ATOM 0 HD22 ASN A 29 -10.149 -11.343 -4.344 1.00 12.43 H new ATOM 465 N ALA A 30 -5.190 -12.041 -2.983 1.00 1.40 N ATOM 466 CA ALA A 30 -4.480 -10.770 -2.873 1.00 62.41 C ATOM 467 C ALA A 30 -3.604 -10.480 -4.082 1.00 12.33 C ATOM 468 O ALA A 30 -3.613 -9.369 -4.584 1.00 33.00 O ATOM 469 CB ALA A 30 -3.648 -10.729 -1.606 1.00 65.11 C ATOM 0 H ALA A 30 -5.019 -12.682 -2.208 1.00 1.40 H new ATOM 0 HA ALA A 30 -5.242 -9.991 -2.832 1.00 62.41 H new ATOM 0 HB1 ALA A 30 -3.127 -9.774 -1.544 1.00 65.11 H new ATOM 0 HB2 ALA A 30 -4.299 -10.845 -0.739 1.00 65.11 H new ATOM 0 HB3 ALA A 30 -2.919 -11.539 -1.623 1.00 65.11 H new ATOM 475 N GLU A 31 -2.855 -11.471 -4.545 1.00 3.13 N ATOM 476 CA GLU A 31 -1.941 -11.275 -5.667 1.00 44.02 C ATOM 477 C GLU A 31 -2.686 -10.756 -6.902 1.00 51.25 C ATOM 478 O GLU A 31 -2.474 -9.615 -7.351 1.00 70.53 O ATOM 479 CB GLU A 31 -1.236 -12.592 -6.005 1.00 54.13 C ATOM 480 CG GLU A 31 -0.149 -12.444 -7.057 1.00 31.42 C ATOM 481 CD GLU A 31 -0.287 -13.434 -8.196 1.00 43.12 C ATOM 482 OE1 GLU A 31 0.254 -14.550 -8.095 1.00 23.44 O ATOM 483 OE2 GLU A 31 -0.928 -13.089 -9.209 1.00 2.43 O ATOM 0 H GLU A 31 -2.860 -12.417 -4.164 1.00 3.13 H new ATOM 0 HA GLU A 31 -1.201 -10.530 -5.374 1.00 44.02 H new ATOM 0 HB2 GLU A 31 -0.798 -13.004 -5.096 1.00 54.13 H new ATOM 0 HB3 GLU A 31 -1.976 -13.311 -6.357 1.00 54.13 H new ATOM 0 HG2 GLU A 31 -0.175 -11.431 -7.459 1.00 31.42 H new ATOM 0 HG3 GLU A 31 0.825 -12.575 -6.586 1.00 31.42 H new ATOM 490 N ASP A 32 -3.573 -11.596 -7.419 1.00 22.23 N ATOM 491 CA ASP A 32 -4.307 -11.296 -8.639 1.00 53.33 C ATOM 492 C ASP A 32 -5.182 -10.071 -8.462 1.00 0.14 C ATOM 493 O ASP A 32 -5.090 -9.119 -9.237 1.00 4.11 O ATOM 494 CB ASP A 32 -5.162 -12.490 -9.051 1.00 45.23 C ATOM 495 CG ASP A 32 -5.849 -12.275 -10.381 1.00 33.31 C ATOM 496 OD1 ASP A 32 -5.207 -12.494 -11.424 1.00 22.24 O ATOM 497 OD2 ASP A 32 -7.040 -11.900 -10.393 1.00 22.02 O ATOM 0 H ASP A 32 -3.802 -12.500 -7.006 1.00 22.23 H new ATOM 0 HA ASP A 32 -3.581 -11.089 -9.425 1.00 53.33 H new ATOM 0 HB2 ASP A 32 -4.535 -13.380 -9.109 1.00 45.23 H new ATOM 0 HB3 ASP A 32 -5.913 -12.678 -8.283 1.00 45.23 H new ATOM 502 N PHE A 33 -6.002 -10.093 -7.418 1.00 45.11 N ATOM 503 CA PHE A 33 -6.925 -9.005 -7.128 1.00 43.31 C ATOM 504 C PHE A 33 -6.195 -7.668 -7.002 1.00 1.05 C ATOM 505 O PHE A 33 -6.653 -6.653 -7.535 1.00 55.13 O ATOM 506 CB PHE A 33 -7.722 -9.328 -5.849 1.00 51.42 C ATOM 507 CG PHE A 33 -7.941 -8.151 -4.937 1.00 71.12 C ATOM 508 CD1 PHE A 33 -8.882 -7.181 -5.247 1.00 25.34 C ATOM 509 CD2 PHE A 33 -7.193 -8.013 -3.773 1.00 11.42 C ATOM 510 CE1 PHE A 33 -9.070 -6.091 -4.421 1.00 42.13 C ATOM 511 CE2 PHE A 33 -7.382 -6.924 -2.943 1.00 52.23 C ATOM 512 CZ PHE A 33 -8.318 -5.963 -3.269 1.00 30.14 C ATOM 0 H PHE A 33 -6.045 -10.864 -6.751 1.00 45.11 H new ATOM 0 HA PHE A 33 -7.620 -8.909 -7.962 1.00 43.31 H new ATOM 0 HB2 PHE A 33 -8.692 -9.737 -6.134 1.00 51.42 H new ATOM 0 HB3 PHE A 33 -7.198 -10.107 -5.296 1.00 51.42 H new ATOM 0 HD1 PHE A 33 -9.474 -7.279 -6.145 1.00 25.34 H new ATOM 0 HD2 PHE A 33 -6.459 -8.762 -3.516 1.00 11.42 H new ATOM 0 HE1 PHE A 33 -9.803 -5.340 -4.675 1.00 42.13 H new ATOM 0 HE2 PHE A 33 -6.798 -6.825 -2.040 1.00 52.23 H new ATOM 0 HZ PHE A 33 -8.463 -5.110 -2.623 1.00 30.14 H new ATOM 522 N ARG A 34 -5.048 -7.671 -6.325 1.00 72.52 N ATOM 523 CA ARG A 34 -4.339 -6.431 -6.049 1.00 40.34 C ATOM 524 C ARG A 34 -3.856 -5.776 -7.324 1.00 74.31 C ATOM 525 O ARG A 34 -4.289 -4.671 -7.657 1.00 73.33 O ATOM 526 CB ARG A 34 -3.141 -6.642 -5.139 1.00 41.20 C ATOM 527 CG ARG A 34 -2.564 -5.333 -4.647 1.00 0.21 C ATOM 528 CD ARG A 34 -3.354 -4.811 -3.449 1.00 23.23 C ATOM 529 NE ARG A 34 -3.252 -5.710 -2.292 1.00 72.43 N ATOM 530 CZ ARG A 34 -3.863 -5.512 -1.118 1.00 43.04 C ATOM 531 NH1 ARG A 34 -4.694 -4.487 -0.955 1.00 72.01 N ATOM 532 NH2 ARG A 34 -3.645 -6.349 -0.106 1.00 41.11 N ATOM 0 H ARG A 34 -4.597 -8.511 -5.962 1.00 72.52 H new ATOM 0 HA ARG A 34 -5.058 -5.784 -5.547 1.00 40.34 H new ATOM 0 HB2 ARG A 34 -3.438 -7.251 -4.285 1.00 41.20 H new ATOM 0 HB3 ARG A 34 -2.372 -7.198 -5.675 1.00 41.20 H new ATOM 0 HG2 ARG A 34 -1.520 -5.472 -4.367 1.00 0.21 H new ATOM 0 HG3 ARG A 34 -2.583 -4.597 -5.450 1.00 0.21 H new ATOM 0 HD2 ARG A 34 -2.986 -3.823 -3.174 1.00 23.23 H new ATOM 0 HD3 ARG A 34 -4.401 -4.695 -3.727 1.00 23.23 H new ATOM 0 HE ARG A 34 -2.674 -6.545 -2.390 1.00 72.43 H new ATOM 0 HH11 ARG A 34 -4.870 -3.845 -1.728 1.00 72.01 H new ATOM 0 HH12 ARG A 34 -5.156 -4.343 -0.057 1.00 72.01 H new ATOM 0 HH21 ARG A 34 -3.013 -7.140 -0.226 1.00 41.11 H new ATOM 0 HH22 ARG A 34 -4.110 -6.199 0.789 1.00 41.11 H new ATOM 546 N ARG A 35 -2.956 -6.445 -8.043 1.00 42.12 N ATOM 547 CA ARG A 35 -2.361 -5.822 -9.217 1.00 72.21 C ATOM 548 C ARG A 35 -3.418 -5.569 -10.279 1.00 1.12 C ATOM 549 O ARG A 35 -3.249 -4.700 -11.128 1.00 42.15 O ATOM 550 CB ARG A 35 -1.163 -6.621 -9.765 1.00 45.22 C ATOM 551 CG ARG A 35 -1.413 -8.092 -10.081 1.00 51.25 C ATOM 552 CD ARG A 35 -2.219 -8.299 -11.358 1.00 11.14 C ATOM 553 NE ARG A 35 -1.739 -9.440 -12.150 1.00 21.14 N ATOM 554 CZ ARG A 35 -1.585 -10.686 -11.685 1.00 5.03 C ATOM 555 NH1 ARG A 35 -1.879 -10.981 -10.425 1.00 75.54 N ATOM 556 NH2 ARG A 35 -1.135 -11.636 -12.492 1.00 65.25 N ATOM 0 H ARG A 35 -2.632 -7.391 -7.840 1.00 42.12 H new ATOM 0 HA ARG A 35 -1.957 -4.857 -8.910 1.00 72.21 H new ATOM 0 HB2 ARG A 35 -0.814 -6.131 -10.674 1.00 45.22 H new ATOM 0 HB3 ARG A 35 -0.352 -6.561 -9.039 1.00 45.22 H new ATOM 0 HG2 ARG A 35 -0.456 -8.605 -10.175 1.00 51.25 H new ATOM 0 HG3 ARG A 35 -1.941 -8.552 -9.246 1.00 51.25 H new ATOM 0 HD2 ARG A 35 -3.267 -8.455 -11.101 1.00 11.14 H new ATOM 0 HD3 ARG A 35 -2.171 -7.395 -11.964 1.00 11.14 H new ATOM 0 HE ARG A 35 -1.505 -9.270 -13.128 1.00 21.14 H new ATOM 0 HH11 ARG A 35 -2.227 -10.255 -9.799 1.00 75.54 H new ATOM 0 HH12 ARG A 35 -1.757 -11.934 -10.083 1.00 75.54 H new ATOM 0 HH21 ARG A 35 -0.908 -11.416 -13.462 1.00 65.25 H new ATOM 0 HH22 ARG A 35 -1.016 -12.587 -12.143 1.00 65.25 H new ATOM 570 N ARG A 36 -4.524 -6.304 -10.200 1.00 31.55 N ATOM 571 CA ARG A 36 -5.641 -6.093 -11.103 1.00 23.11 C ATOM 572 C ARG A 36 -6.288 -4.741 -10.829 1.00 21.32 C ATOM 573 O ARG A 36 -6.201 -3.836 -11.649 1.00 44.14 O ATOM 574 CB ARG A 36 -6.684 -7.204 -10.957 1.00 65.42 C ATOM 575 CG ARG A 36 -7.780 -7.150 -12.009 1.00 54.32 C ATOM 576 CD ARG A 36 -7.239 -7.498 -13.385 1.00 11.13 C ATOM 577 NE ARG A 36 -8.218 -7.257 -14.444 1.00 53.40 N ATOM 578 CZ ARG A 36 -8.750 -8.215 -15.205 1.00 22.43 C ATOM 579 NH1 ARG A 36 -8.475 -9.493 -14.977 1.00 20.31 N ATOM 580 NH2 ARG A 36 -9.579 -7.893 -16.188 1.00 10.21 N ATOM 0 H ARG A 36 -4.666 -7.050 -9.519 1.00 31.55 H new ATOM 0 HA ARG A 36 -5.258 -6.111 -12.123 1.00 23.11 H new ATOM 0 HB2 ARG A 36 -6.184 -8.171 -11.014 1.00 65.42 H new ATOM 0 HB3 ARG A 36 -7.137 -7.138 -9.968 1.00 65.42 H new ATOM 0 HG2 ARG A 36 -8.577 -7.844 -11.743 1.00 54.32 H new ATOM 0 HG3 ARG A 36 -8.219 -6.153 -12.030 1.00 54.32 H new ATOM 0 HD2 ARG A 36 -6.343 -6.908 -13.580 1.00 11.13 H new ATOM 0 HD3 ARG A 36 -6.940 -8.546 -13.401 1.00 11.13 H new ATOM 0 HE ARG A 36 -8.513 -6.295 -14.612 1.00 53.40 H new ATOM 0 HH11 ARG A 36 -7.851 -9.752 -14.213 1.00 20.31 H new ATOM 0 HH12 ARG A 36 -8.888 -10.216 -15.566 1.00 20.31 H new ATOM 0 HH21 ARG A 36 -9.809 -6.914 -16.361 1.00 10.21 H new ATOM 0 HH22 ARG A 36 -9.987 -8.624 -16.771 1.00 10.21 H new ATOM 594 N ALA A 37 -6.903 -4.599 -9.655 1.00 12.03 N ATOM 595 CA ALA A 37 -7.651 -3.390 -9.321 1.00 61.31 C ATOM 596 C ALA A 37 -6.764 -2.148 -9.367 1.00 44.44 C ATOM 597 O ALA A 37 -7.165 -1.107 -9.890 1.00 55.32 O ATOM 598 CB ALA A 37 -8.293 -3.528 -7.950 1.00 65.43 C ATOM 0 H ALA A 37 -6.897 -5.307 -8.920 1.00 12.03 H new ATOM 0 HA ALA A 37 -8.433 -3.267 -10.071 1.00 61.31 H new ATOM 0 HB1 ALA A 37 -8.847 -2.619 -7.715 1.00 65.43 H new ATOM 0 HB2 ALA A 37 -8.975 -4.379 -7.951 1.00 65.43 H new ATOM 0 HB3 ALA A 37 -7.518 -3.685 -7.200 1.00 65.43 H new ATOM 604 N LEU A 38 -5.555 -2.275 -8.834 1.00 44.40 N ATOM 605 CA LEU A 38 -4.612 -1.161 -8.791 1.00 63.14 C ATOM 606 C LEU A 38 -4.265 -0.677 -10.193 1.00 75.20 C ATOM 607 O LEU A 38 -4.331 0.517 -10.481 1.00 22.00 O ATOM 608 CB LEU A 38 -3.332 -1.568 -8.047 1.00 62.51 C ATOM 609 CG LEU A 38 -3.350 -1.380 -6.525 1.00 30.33 C ATOM 610 CD1 LEU A 38 -4.552 -2.066 -5.894 1.00 54.10 C ATOM 611 CD2 LEU A 38 -2.062 -1.910 -5.913 1.00 64.15 C ATOM 0 H LEU A 38 -5.203 -3.140 -8.424 1.00 44.40 H new ATOM 0 HA LEU A 38 -5.091 -0.342 -8.255 1.00 63.14 H new ATOM 0 HB2 LEU A 38 -3.129 -2.617 -8.261 1.00 62.51 H new ATOM 0 HB3 LEU A 38 -2.500 -0.993 -8.454 1.00 62.51 H new ATOM 0 HG LEU A 38 -3.429 -0.312 -6.322 1.00 30.33 H new ATOM 0 HD11 LEU A 38 -4.533 -1.913 -4.815 1.00 54.10 H new ATOM 0 HD12 LEU A 38 -5.469 -1.644 -6.305 1.00 54.10 H new ATOM 0 HD13 LEU A 38 -4.516 -3.134 -6.109 1.00 54.10 H new ATOM 0 HD21 LEU A 38 -2.088 -1.770 -4.832 1.00 64.15 H new ATOM 0 HD22 LEU A 38 -1.962 -2.972 -6.139 1.00 64.15 H new ATOM 0 HD23 LEU A 38 -1.212 -1.369 -6.328 1.00 64.15 H new ATOM 623 N THR A 39 -3.917 -1.606 -11.074 1.00 34.41 N ATOM 624 CA THR A 39 -3.487 -1.243 -12.414 1.00 73.20 C ATOM 625 C THR A 39 -4.683 -0.833 -13.273 1.00 52.04 C ATOM 626 O THR A 39 -4.537 -0.152 -14.287 1.00 54.31 O ATOM 627 CB THR A 39 -2.719 -2.405 -13.073 1.00 71.43 C ATOM 628 OG1 THR A 39 -1.776 -1.902 -14.028 1.00 25.12 O ATOM 629 CG2 THR A 39 -3.679 -3.356 -13.762 1.00 71.40 C ATOM 0 H THR A 39 -3.924 -2.608 -10.885 1.00 34.41 H new ATOM 0 HA THR A 39 -2.814 -0.389 -12.335 1.00 73.20 H new ATOM 0 HB THR A 39 -2.185 -2.945 -12.291 1.00 71.43 H new ATOM 0 HG1 THR A 39 -2.105 -1.057 -14.399 1.00 25.12 H new ATOM 0 HG21 THR A 39 -3.118 -4.170 -14.221 1.00 71.40 H new ATOM 0 HG22 THR A 39 -4.376 -3.764 -13.030 1.00 71.40 H new ATOM 0 HG23 THR A 39 -4.234 -2.819 -14.531 1.00 71.40 H new ATOM 637 N VAL A 40 -5.863 -1.249 -12.838 1.00 22.42 N ATOM 638 CA VAL A 40 -7.103 -0.939 -13.527 1.00 14.31 C ATOM 639 C VAL A 40 -7.452 0.538 -13.392 1.00 54.14 C ATOM 640 O VAL A 40 -7.846 1.184 -14.368 1.00 0.01 O ATOM 641 CB VAL A 40 -8.246 -1.815 -12.975 1.00 32.20 C ATOM 642 CG1 VAL A 40 -9.609 -1.149 -13.140 1.00 11.54 C ATOM 643 CG2 VAL A 40 -8.249 -3.169 -13.664 1.00 2.40 C ATOM 0 H VAL A 40 -5.986 -1.812 -11.996 1.00 22.42 H new ATOM 0 HA VAL A 40 -6.969 -1.155 -14.587 1.00 14.31 H new ATOM 0 HB VAL A 40 -8.067 -1.946 -11.908 1.00 32.20 H new ATOM 0 HG11 VAL A 40 -10.384 -1.801 -12.738 1.00 11.54 H new ATOM 0 HG12 VAL A 40 -9.618 -0.201 -12.603 1.00 11.54 H new ATOM 0 HG13 VAL A 40 -9.800 -0.968 -14.198 1.00 11.54 H new ATOM 0 HG21 VAL A 40 -9.060 -3.778 -13.266 1.00 2.40 H new ATOM 0 HG22 VAL A 40 -8.391 -3.031 -14.736 1.00 2.40 H new ATOM 0 HG23 VAL A 40 -7.298 -3.670 -13.485 1.00 2.40 H new ATOM 653 N VAL A 41 -7.309 1.076 -12.188 1.00 14.24 N ATOM 654 CA VAL A 41 -7.575 2.489 -11.975 1.00 43.44 C ATOM 655 C VAL A 41 -6.467 3.328 -12.590 1.00 23.11 C ATOM 656 O VAL A 41 -6.731 4.189 -13.431 1.00 20.35 O ATOM 657 CB VAL A 41 -7.785 2.835 -10.478 1.00 34.04 C ATOM 658 CG1 VAL A 41 -9.072 2.208 -9.973 1.00 62.05 C ATOM 659 CG2 VAL A 41 -6.613 2.377 -9.620 1.00 5.12 C ATOM 0 H VAL A 41 -7.015 0.563 -11.357 1.00 14.24 H new ATOM 0 HA VAL A 41 -8.514 2.727 -12.476 1.00 43.44 H new ATOM 0 HB VAL A 41 -7.851 3.920 -10.398 1.00 34.04 H new ATOM 0 HG11 VAL A 41 -9.210 2.457 -8.921 1.00 62.05 H new ATOM 0 HG12 VAL A 41 -9.914 2.591 -10.550 1.00 62.05 H new ATOM 0 HG13 VAL A 41 -9.018 1.125 -10.085 1.00 62.05 H new ATOM 0 HG21 VAL A 41 -6.800 2.639 -8.579 1.00 5.12 H new ATOM 0 HG22 VAL A 41 -6.498 1.297 -9.708 1.00 5.12 H new ATOM 0 HG23 VAL A 41 -5.700 2.867 -9.959 1.00 5.12 H new ATOM 669 N ASP A 42 -5.239 3.034 -12.194 1.00 14.30 N ATOM 670 CA ASP A 42 -4.051 3.635 -12.775 1.00 71.24 C ATOM 671 C ASP A 42 -2.862 3.230 -11.949 1.00 71.33 C ATOM 672 O ASP A 42 -2.859 3.374 -10.727 1.00 72.22 O ATOM 673 CB ASP A 42 -4.131 5.151 -12.850 1.00 25.23 C ATOM 674 CG ASP A 42 -3.160 5.722 -13.867 1.00 1.44 C ATOM 675 OD1 ASP A 42 -2.619 4.942 -14.684 1.00 21.41 O ATOM 676 OD2 ASP A 42 -2.975 6.955 -13.887 1.00 44.31 O ATOM 0 H ASP A 42 -5.038 2.364 -11.452 1.00 14.30 H new ATOM 0 HA ASP A 42 -3.960 3.277 -13.801 1.00 71.24 H new ATOM 0 HB2 ASP A 42 -5.147 5.448 -13.112 1.00 25.23 H new ATOM 0 HB3 ASP A 42 -3.918 5.574 -11.868 1.00 25.23 H new ATOM 681 N GLN A 43 -1.870 2.713 -12.619 1.00 72.23 N ATOM 682 CA GLN A 43 -0.773 2.047 -11.951 1.00 60.24 C ATOM 683 C GLN A 43 0.360 1.835 -12.940 1.00 12.54 C ATOM 684 O GLN A 43 1.454 2.381 -12.806 1.00 62.14 O ATOM 685 CB GLN A 43 -1.314 0.705 -11.458 1.00 3.22 C ATOM 686 CG GLN A 43 -0.633 0.080 -10.260 1.00 13.14 C ATOM 687 CD GLN A 43 0.792 -0.339 -10.543 1.00 44.33 C ATOM 688 OE1 GLN A 43 1.734 0.407 -10.297 1.00 53.40 O ATOM 689 NE2 GLN A 43 0.953 -1.534 -11.087 1.00 33.14 N ATOM 0 H GLN A 43 -1.793 2.738 -13.636 1.00 72.23 H new ATOM 0 HA GLN A 43 -0.387 2.634 -11.118 1.00 60.24 H new ATOM 0 HB2 GLN A 43 -2.369 0.835 -11.217 1.00 3.22 H new ATOM 0 HB3 GLN A 43 -1.261 -0.004 -12.284 1.00 3.22 H new ATOM 0 HG2 GLN A 43 -0.640 0.791 -9.433 1.00 13.14 H new ATOM 0 HG3 GLN A 43 -1.205 -0.790 -9.937 1.00 13.14 H new ATOM 0 HE21 GLN A 43 0.141 -2.122 -11.275 1.00 33.14 H new ATOM 0 HE22 GLN A 43 1.889 -1.867 -11.319 1.00 33.14 H new ATOM 698 N ASP A 44 0.056 1.042 -13.948 1.00 54.31 N ATOM 699 CA ASP A 44 1.004 0.699 -14.992 1.00 34.45 C ATOM 700 C ASP A 44 0.919 1.626 -16.221 1.00 22.21 C ATOM 701 O ASP A 44 1.956 2.087 -16.699 1.00 24.52 O ATOM 702 CB ASP A 44 0.786 -0.762 -15.397 1.00 44.24 C ATOM 703 CG ASP A 44 1.429 -1.117 -16.720 1.00 11.24 C ATOM 704 OD1 ASP A 44 2.649 -1.377 -16.746 1.00 64.31 O ATOM 705 OD2 ASP A 44 0.713 -1.148 -17.742 1.00 55.44 O ATOM 0 H ASP A 44 -0.862 0.614 -14.068 1.00 54.31 H new ATOM 0 HA ASP A 44 2.007 0.836 -14.588 1.00 34.45 H new ATOM 0 HB2 ASP A 44 1.188 -1.412 -14.619 1.00 44.24 H new ATOM 0 HB3 ASP A 44 -0.284 -0.960 -15.456 1.00 44.24 H new ATOM 710 N PRO A 45 -0.292 1.918 -16.766 1.00 20.32 N ATOM 711 CA PRO A 45 -0.424 2.675 -18.028 1.00 24.12 C ATOM 712 C PRO A 45 0.166 4.093 -17.988 1.00 41.44 C ATOM 713 O PRO A 45 1.151 4.376 -18.676 1.00 73.11 O ATOM 714 CB PRO A 45 -1.940 2.737 -18.279 1.00 63.44 C ATOM 715 CG PRO A 45 -2.572 2.464 -16.960 1.00 20.14 C ATOM 716 CD PRO A 45 -1.614 1.532 -16.229 1.00 24.13 C ATOM 0 HA PRO A 45 0.140 2.178 -18.817 1.00 24.12 H new ATOM 0 HB2 PRO A 45 -2.235 3.714 -18.661 1.00 63.44 H new ATOM 0 HB3 PRO A 45 -2.246 1.999 -19.021 1.00 63.44 H new ATOM 0 HG2 PRO A 45 -2.724 3.387 -16.400 1.00 20.14 H new ATOM 0 HG3 PRO A 45 -3.551 2.001 -17.083 1.00 20.14 H new ATOM 0 HD2 PRO A 45 -1.665 1.668 -15.149 1.00 24.13 H new ATOM 0 HD3 PRO A 45 -1.840 0.485 -16.429 1.00 24.13 H new ATOM 724 N GLY A 46 -0.421 4.978 -17.190 1.00 70.00 N ATOM 725 CA GLY A 46 -0.044 6.380 -17.239 1.00 70.43 C ATOM 726 C GLY A 46 0.981 6.764 -16.193 1.00 62.11 C ATOM 727 O GLY A 46 1.455 5.917 -15.431 1.00 22.40 O ATOM 0 H GLY A 46 -1.149 4.752 -16.512 1.00 70.00 H new ATOM 0 HA2 GLY A 46 0.354 6.607 -18.228 1.00 70.43 H new ATOM 0 HA3 GLY A 46 -0.935 6.993 -17.106 1.00 70.43 H new ATOM 731 N GLN A 47 1.335 8.043 -16.169 1.00 0.22 N ATOM 732 CA GLN A 47 2.253 8.574 -15.172 1.00 3.24 C ATOM 733 C GLN A 47 1.451 8.894 -13.918 1.00 44.12 C ATOM 734 O GLN A 47 1.012 10.027 -13.713 1.00 23.41 O ATOM 735 CB GLN A 47 2.954 9.833 -15.707 1.00 53.41 C ATOM 736 CG GLN A 47 4.319 10.129 -15.084 1.00 4.12 C ATOM 737 CD GLN A 47 4.282 10.307 -13.577 1.00 24.54 C ATOM 738 OE1 GLN A 47 4.509 9.360 -12.822 1.00 34.13 O ATOM 739 NE2 GLN A 47 3.983 11.519 -13.134 1.00 41.23 N ATOM 0 H GLN A 47 0.996 8.736 -16.836 1.00 0.22 H new ATOM 0 HA GLN A 47 3.026 7.841 -14.941 1.00 3.24 H new ATOM 0 HB2 GLN A 47 3.078 9.731 -16.785 1.00 53.41 H new ATOM 0 HB3 GLN A 47 2.302 10.691 -15.541 1.00 53.41 H new ATOM 0 HG2 GLN A 47 5.002 9.315 -15.327 1.00 4.12 H new ATOM 0 HG3 GLN A 47 4.726 11.033 -15.537 1.00 4.12 H new ATOM 0 HE21 GLN A 47 3.802 12.274 -13.796 1.00 41.23 H new ATOM 0 HE22 GLN A 47 3.933 11.698 -12.131 1.00 41.23 H new ATOM 748 N VAL A 48 1.238 7.875 -13.109 1.00 20.32 N ATOM 749 CA VAL A 48 0.323 7.963 -11.989 1.00 44.51 C ATOM 750 C VAL A 48 1.023 8.419 -10.708 1.00 42.14 C ATOM 751 O VAL A 48 2.138 7.990 -10.405 1.00 3.14 O ATOM 752 CB VAL A 48 -0.371 6.600 -11.761 1.00 70.13 C ATOM 753 CG1 VAL A 48 0.649 5.497 -11.526 1.00 41.24 C ATOM 754 CG2 VAL A 48 -1.363 6.670 -10.612 1.00 41.40 C ATOM 0 H VAL A 48 1.692 6.967 -13.209 1.00 20.32 H new ATOM 0 HA VAL A 48 -0.425 8.716 -12.237 1.00 44.51 H new ATOM 0 HB VAL A 48 -0.926 6.360 -12.668 1.00 70.13 H new ATOM 0 HG11 VAL A 48 0.132 4.551 -11.369 1.00 41.24 H new ATOM 0 HG12 VAL A 48 1.302 5.414 -12.395 1.00 41.24 H new ATOM 0 HG13 VAL A 48 1.246 5.735 -10.645 1.00 41.24 H new ATOM 0 HG21 VAL A 48 -1.834 5.696 -10.478 1.00 41.40 H new ATOM 0 HG22 VAL A 48 -0.841 6.950 -9.697 1.00 41.40 H new ATOM 0 HG23 VAL A 48 -2.127 7.414 -10.836 1.00 41.40 H new ATOM 764 N GLU A 49 0.364 9.311 -9.979 1.00 63.31 N ATOM 765 CA GLU A 49 0.831 9.735 -8.669 1.00 10.03 C ATOM 766 C GLU A 49 -0.081 9.141 -7.607 1.00 10.35 C ATOM 767 O GLU A 49 -1.247 9.523 -7.501 1.00 51.52 O ATOM 768 CB GLU A 49 0.841 11.265 -8.564 1.00 40.43 C ATOM 769 CG GLU A 49 1.362 11.784 -7.230 1.00 25.40 C ATOM 770 CD GLU A 49 1.395 13.297 -7.160 1.00 41.32 C ATOM 771 OE1 GLU A 49 2.400 13.899 -7.601 1.00 11.31 O ATOM 772 OE2 GLU A 49 0.415 13.899 -6.666 1.00 50.53 O ATOM 0 H GLU A 49 -0.503 9.757 -10.278 1.00 63.31 H new ATOM 0 HA GLU A 49 1.852 9.383 -8.519 1.00 10.03 H new ATOM 0 HB2 GLU A 49 1.456 11.671 -9.367 1.00 40.43 H new ATOM 0 HB3 GLU A 49 -0.172 11.638 -8.718 1.00 40.43 H new ATOM 0 HG2 GLU A 49 0.733 11.401 -6.426 1.00 25.40 H new ATOM 0 HG3 GLU A 49 2.366 11.395 -7.062 1.00 25.40 H new ATOM 779 N TRP A 50 0.432 8.203 -6.829 1.00 25.23 N ATOM 780 CA TRP A 50 -0.411 7.475 -5.900 1.00 23.02 C ATOM 781 C TRP A 50 0.396 6.863 -4.773 1.00 42.55 C ATOM 782 O TRP A 50 1.619 6.984 -4.725 1.00 41.53 O ATOM 783 CB TRP A 50 -1.190 6.375 -6.636 1.00 5.41 C ATOM 784 CG TRP A 50 -0.338 5.265 -7.183 1.00 74.53 C ATOM 785 CD1 TRP A 50 0.679 5.370 -8.090 1.00 54.42 C ATOM 786 CD2 TRP A 50 -0.449 3.874 -6.866 1.00 65.31 C ATOM 787 NE1 TRP A 50 1.211 4.132 -8.347 1.00 12.05 N ATOM 788 CE2 TRP A 50 0.535 3.197 -7.611 1.00 42.33 C ATOM 789 CE3 TRP A 50 -1.282 3.134 -6.023 1.00 41.12 C ATOM 790 CZ2 TRP A 50 0.708 1.819 -7.536 1.00 74.51 C ATOM 791 CZ3 TRP A 50 -1.111 1.765 -5.952 1.00 10.25 C ATOM 792 CH2 TRP A 50 -0.122 1.122 -6.704 1.00 53.21 C ATOM 0 H TRP A 50 1.415 7.931 -6.822 1.00 25.23 H new ATOM 0 HA TRP A 50 -1.111 8.189 -5.466 1.00 23.02 H new ATOM 0 HB2 TRP A 50 -1.924 5.949 -5.953 1.00 5.41 H new ATOM 0 HB3 TRP A 50 -1.745 6.828 -7.458 1.00 5.41 H new ATOM 0 HD1 TRP A 50 1.015 6.293 -8.539 1.00 54.42 H new ATOM 0 HE1 TRP A 50 1.985 3.940 -8.983 1.00 12.05 H new ATOM 0 HE3 TRP A 50 -2.046 3.624 -5.437 1.00 41.12 H new ATOM 0 HZ2 TRP A 50 1.470 1.318 -8.114 1.00 74.51 H new ATOM 0 HZ3 TRP A 50 -1.751 1.182 -5.306 1.00 10.25 H new ATOM 0 HH2 TRP A 50 -0.012 0.051 -6.625 1.00 53.21 H new ATOM 803 N PHE A 51 -0.299 6.221 -3.854 1.00 44.22 N ATOM 804 CA PHE A 51 0.344 5.496 -2.777 1.00 21.01 C ATOM 805 C PHE A 51 -0.629 4.520 -2.145 1.00 1.53 C ATOM 806 O PHE A 51 -1.832 4.610 -2.373 1.00 74.22 O ATOM 807 CB PHE A 51 0.913 6.468 -1.739 1.00 4.34 C ATOM 808 CG PHE A 51 -0.083 7.388 -1.094 1.00 35.43 C ATOM 809 CD1 PHE A 51 -0.554 8.510 -1.759 1.00 43.22 C ATOM 810 CD2 PHE A 51 -0.522 7.146 0.194 1.00 22.20 C ATOM 811 CE1 PHE A 51 -1.446 9.368 -1.150 1.00 41.32 C ATOM 812 CE2 PHE A 51 -1.408 8.003 0.809 1.00 70.02 C ATOM 813 CZ PHE A 51 -1.873 9.116 0.138 1.00 3.13 C ATOM 0 H PHE A 51 -1.318 6.187 -3.833 1.00 44.22 H new ATOM 0 HA PHE A 51 1.176 4.923 -3.186 1.00 21.01 H new ATOM 0 HB2 PHE A 51 1.405 5.889 -0.957 1.00 4.34 H new ATOM 0 HB3 PHE A 51 1.682 7.074 -2.219 1.00 4.34 H new ATOM 0 HD1 PHE A 51 -0.219 8.714 -2.765 1.00 43.22 H new ATOM 0 HD2 PHE A 51 -0.166 6.275 0.724 1.00 22.20 H new ATOM 0 HE1 PHE A 51 -1.810 10.236 -1.680 1.00 41.32 H new ATOM 0 HE2 PHE A 51 -1.739 7.804 1.817 1.00 70.02 H new ATOM 0 HZ PHE A 51 -2.569 9.787 0.619 1.00 3.13 H new ATOM 823 N VAL A 52 -0.117 3.558 -1.392 1.00 0.33 N ATOM 824 CA VAL A 52 -0.995 2.662 -0.655 1.00 24.32 C ATOM 825 C VAL A 52 -0.911 2.961 0.825 1.00 40.14 C ATOM 826 O VAL A 52 0.136 3.377 1.337 1.00 34.11 O ATOM 827 CB VAL A 52 -0.725 1.164 -0.913 1.00 13.42 C ATOM 828 CG1 VAL A 52 -0.792 0.856 -2.398 1.00 54.33 C ATOM 829 CG2 VAL A 52 0.599 0.723 -0.319 1.00 11.53 C ATOM 0 H VAL A 52 0.881 3.379 -1.276 1.00 0.33 H new ATOM 0 HA VAL A 52 -2.003 2.851 -1.024 1.00 24.32 H new ATOM 0 HB VAL A 52 -1.507 0.594 -0.411 1.00 13.42 H new ATOM 0 HG11 VAL A 52 -0.599 -0.205 -2.559 1.00 54.33 H new ATOM 0 HG12 VAL A 52 -1.783 1.106 -2.777 1.00 54.33 H new ATOM 0 HG13 VAL A 52 -0.042 1.445 -2.926 1.00 54.33 H new ATOM 0 HG21 VAL A 52 0.753 -0.337 -0.521 1.00 11.53 H new ATOM 0 HG22 VAL A 52 1.409 1.300 -0.766 1.00 11.53 H new ATOM 0 HG23 VAL A 52 0.588 0.889 0.758 1.00 11.53 H new ATOM 839 N LEU A 53 -2.014 2.743 1.507 1.00 30.12 N ATOM 840 CA LEU A 53 -2.176 3.237 2.856 1.00 25.33 C ATOM 841 C LEU A 53 -2.794 2.177 3.757 1.00 22.43 C ATOM 842 O LEU A 53 -3.838 1.609 3.434 1.00 40.13 O ATOM 843 CB LEU A 53 -3.056 4.491 2.786 1.00 75.31 C ATOM 844 CG LEU A 53 -3.225 5.294 4.068 1.00 32.22 C ATOM 845 CD1 LEU A 53 -3.409 6.759 3.722 1.00 12.20 C ATOM 846 CD2 LEU A 53 -4.418 4.795 4.859 1.00 20.40 C ATOM 0 H LEU A 53 -2.815 2.224 1.147 1.00 30.12 H new ATOM 0 HA LEU A 53 -1.206 3.483 3.288 1.00 25.33 H new ATOM 0 HB2 LEU A 53 -2.642 5.152 2.025 1.00 75.31 H new ATOM 0 HB3 LEU A 53 -4.046 4.190 2.443 1.00 75.31 H new ATOM 0 HG LEU A 53 -2.333 5.172 4.682 1.00 32.22 H new ATOM 0 HD11 LEU A 53 -3.530 7.337 4.638 1.00 12.20 H new ATOM 0 HD12 LEU A 53 -2.534 7.118 3.180 1.00 12.20 H new ATOM 0 HD13 LEU A 53 -4.295 6.877 3.099 1.00 12.20 H new ATOM 0 HD21 LEU A 53 -4.521 5.382 5.771 1.00 20.40 H new ATOM 0 HD22 LEU A 53 -5.322 4.897 4.258 1.00 20.40 H new ATOM 0 HD23 LEU A 53 -4.270 3.746 5.117 1.00 20.40 H new ATOM 858 N ASN A 54 -2.120 1.881 4.860 1.00 12.22 N ATOM 859 CA ASN A 54 -2.710 1.053 5.906 1.00 13.04 C ATOM 860 C ASN A 54 -3.884 1.790 6.533 1.00 25.42 C ATOM 861 O ASN A 54 -3.697 2.855 7.118 1.00 13.13 O ATOM 862 CB ASN A 54 -1.678 0.725 6.978 1.00 43.33 C ATOM 863 CG ASN A 54 -0.891 -0.533 6.685 1.00 74.24 C ATOM 864 OD1 ASN A 54 -1.275 -1.624 7.093 1.00 41.22 O ATOM 865 ND2 ASN A 54 0.212 -0.389 5.978 1.00 24.01 N ATOM 0 H ASN A 54 -1.170 2.199 5.054 1.00 12.22 H new ATOM 0 HA ASN A 54 -3.056 0.120 5.461 1.00 13.04 H new ATOM 0 HB2 ASN A 54 -0.988 1.563 7.076 1.00 43.33 H new ATOM 0 HB3 ASN A 54 -2.183 0.614 7.937 1.00 43.33 H new ATOM 0 HD21 ASN A 54 0.782 -1.204 5.751 1.00 24.01 H new ATOM 0 HD22 ASN A 54 0.495 0.537 5.658 1.00 24.01 H new ATOM 872 N ALA A 55 -5.079 1.203 6.427 1.00 55.52 N ATOM 873 CA ALA A 55 -6.324 1.879 6.802 1.00 52.11 C ATOM 874 C ALA A 55 -6.266 2.497 8.201 1.00 25.03 C ATOM 875 O ALA A 55 -6.054 3.700 8.345 1.00 13.42 O ATOM 876 CB ALA A 55 -7.496 0.918 6.707 1.00 75.13 C ATOM 0 H ALA A 55 -5.211 0.252 6.081 1.00 55.52 H new ATOM 0 HA ALA A 55 -6.461 2.698 6.096 1.00 52.11 H new ATOM 0 HB1 ALA A 55 -8.414 1.434 6.989 1.00 75.13 H new ATOM 0 HB2 ALA A 55 -7.585 0.552 5.684 1.00 75.13 H new ATOM 0 HB3 ALA A 55 -7.332 0.077 7.380 1.00 75.13 H new ATOM 882 N GLU A 56 -6.473 1.678 9.228 1.00 2.44 N ATOM 883 CA GLU A 56 -6.448 2.163 10.603 1.00 63.34 C ATOM 884 C GLU A 56 -5.765 1.154 11.503 1.00 71.44 C ATOM 885 O GLU A 56 -4.630 1.355 11.936 1.00 35.35 O ATOM 886 CB GLU A 56 -7.868 2.441 11.118 1.00 40.32 C ATOM 887 CG GLU A 56 -8.656 3.416 10.257 1.00 22.00 C ATOM 888 CD GLU A 56 -10.011 3.747 10.840 1.00 41.24 C ATOM 889 OE1 GLU A 56 -10.922 2.893 10.769 1.00 14.13 O ATOM 890 OE2 GLU A 56 -10.175 4.871 11.361 1.00 21.23 O ATOM 0 H GLU A 56 -6.659 0.680 9.134 1.00 2.44 H new ATOM 0 HA GLU A 56 -5.887 3.097 10.618 1.00 63.34 H new ATOM 0 HB2 GLU A 56 -8.414 1.499 11.176 1.00 40.32 H new ATOM 0 HB3 GLU A 56 -7.805 2.836 12.132 1.00 40.32 H new ATOM 0 HG2 GLU A 56 -8.082 4.335 10.138 1.00 22.00 H new ATOM 0 HG3 GLU A 56 -8.787 2.991 9.262 1.00 22.00 H new ATOM 897 N SER A 57 -6.445 0.058 11.757 1.00 74.42 N ATOM 898 CA SER A 57 -5.891 -0.987 12.582 1.00 44.15 C ATOM 899 C SER A 57 -5.026 -1.898 11.730 1.00 11.55 C ATOM 900 O SER A 57 -3.824 -2.010 11.954 1.00 14.34 O ATOM 901 CB SER A 57 -7.012 -1.776 13.254 1.00 54.41 C ATOM 902 OG SER A 57 -7.888 -0.906 13.953 1.00 61.23 O ATOM 0 H SER A 57 -7.383 -0.131 11.403 1.00 74.42 H new ATOM 0 HA SER A 57 -5.273 -0.545 13.363 1.00 44.15 H new ATOM 0 HB2 SER A 57 -7.570 -2.336 12.503 1.00 54.41 H new ATOM 0 HB3 SER A 57 -6.587 -2.505 13.945 1.00 54.41 H new ATOM 0 HG SER A 57 -8.601 -1.430 14.375 1.00 61.23 H new ATOM 908 N ASN A 58 -5.640 -2.486 10.707 1.00 25.43 N ATOM 909 CA ASN A 58 -4.968 -3.445 9.836 1.00 23.31 C ATOM 910 C ASN A 58 -4.490 -4.637 10.663 1.00 44.22 C ATOM 911 O ASN A 58 -5.301 -5.304 11.308 1.00 53.32 O ATOM 912 CB ASN A 58 -3.795 -2.791 9.086 1.00 75.31 C ATOM 913 CG ASN A 58 -4.208 -1.553 8.312 1.00 45.31 C ATOM 914 OD1 ASN A 58 -4.585 -1.625 7.145 1.00 20.32 O ATOM 915 ND2 ASN A 58 -4.132 -0.401 8.963 1.00 14.22 N ATOM 0 H ASN A 58 -6.614 -2.312 10.459 1.00 25.43 H new ATOM 0 HA ASN A 58 -5.678 -3.793 9.085 1.00 23.31 H new ATOM 0 HB2 ASN A 58 -3.017 -2.524 9.801 1.00 75.31 H new ATOM 0 HB3 ASN A 58 -3.361 -3.516 8.398 1.00 75.31 H new ATOM 0 HD21 ASN A 58 -4.392 0.467 8.495 1.00 14.22 H new ATOM 0 HD22 ASN A 58 -3.814 -0.383 9.932 1.00 14.22 H new ATOM 922 N VAL A 59 -3.179 -4.897 10.652 1.00 2.24 N ATOM 923 CA VAL A 59 -2.566 -5.907 11.522 1.00 24.12 C ATOM 924 C VAL A 59 -2.941 -7.333 11.112 1.00 71.34 C ATOM 925 O VAL A 59 -2.139 -8.054 10.528 1.00 21.22 O ATOM 926 CB VAL A 59 -2.983 -5.713 12.995 1.00 64.23 C ATOM 927 CG1 VAL A 59 -2.263 -6.696 13.903 1.00 31.13 C ATOM 928 CG2 VAL A 59 -2.743 -4.289 13.464 1.00 33.22 C ATOM 0 H VAL A 59 -2.516 -4.417 10.044 1.00 2.24 H new ATOM 0 HA VAL A 59 -1.490 -5.771 11.414 1.00 24.12 H new ATOM 0 HB VAL A 59 -4.054 -5.909 13.052 1.00 64.23 H new ATOM 0 HG11 VAL A 59 -2.577 -6.536 14.934 1.00 31.13 H new ATOM 0 HG12 VAL A 59 -2.508 -7.715 13.603 1.00 31.13 H new ATOM 0 HG13 VAL A 59 -1.187 -6.544 13.823 1.00 31.13 H new ATOM 0 HG21 VAL A 59 -3.049 -4.193 14.506 1.00 33.22 H new ATOM 0 HG22 VAL A 59 -1.683 -4.050 13.373 1.00 33.22 H new ATOM 0 HG23 VAL A 59 -3.324 -3.601 12.850 1.00 33.22 H new ATOM 938 N GLU A 60 -4.179 -7.713 11.405 1.00 41.52 N ATOM 939 CA GLU A 60 -4.622 -9.093 11.258 1.00 35.52 C ATOM 940 C GLU A 60 -5.487 -9.220 10.024 1.00 42.41 C ATOM 941 O GLU A 60 -6.152 -10.232 9.805 1.00 65.33 O ATOM 942 CB GLU A 60 -5.414 -9.517 12.494 1.00 31.13 C ATOM 943 CG GLU A 60 -4.667 -9.273 13.796 1.00 12.51 C ATOM 944 CD GLU A 60 -5.413 -9.768 15.016 1.00 53.44 C ATOM 945 OE1 GLU A 60 -6.239 -9.010 15.565 1.00 40.13 O ATOM 946 OE2 GLU A 60 -5.164 -10.918 15.443 1.00 71.34 O ATOM 0 H GLU A 60 -4.899 -7.078 11.749 1.00 41.52 H new ATOM 0 HA GLU A 60 -3.752 -9.741 11.154 1.00 35.52 H new ATOM 0 HB2 GLU A 60 -6.358 -8.973 12.517 1.00 31.13 H new ATOM 0 HB3 GLU A 60 -5.658 -10.576 12.416 1.00 31.13 H new ATOM 0 HG2 GLU A 60 -3.696 -9.766 13.748 1.00 12.51 H new ATOM 0 HG3 GLU A 60 -4.477 -8.205 13.903 1.00 12.51 H new ATOM 953 N VAL A 61 -5.465 -8.176 9.224 1.00 5.44 N ATOM 954 CA VAL A 61 -6.314 -8.088 8.057 1.00 20.31 C ATOM 955 C VAL A 61 -5.565 -8.553 6.812 1.00 4.31 C ATOM 956 O VAL A 61 -6.135 -9.161 5.899 1.00 33.04 O ATOM 957 CB VAL A 61 -6.815 -6.633 7.869 1.00 73.42 C ATOM 958 CG1 VAL A 61 -7.404 -6.111 9.171 1.00 10.11 C ATOM 959 CG2 VAL A 61 -5.707 -5.703 7.384 1.00 42.24 C ATOM 0 H VAL A 61 -4.860 -7.367 9.364 1.00 5.44 H new ATOM 0 HA VAL A 61 -7.174 -8.741 8.205 1.00 20.31 H new ATOM 0 HB VAL A 61 -7.587 -6.649 7.100 1.00 73.42 H new ATOM 0 HG11 VAL A 61 -7.753 -5.088 9.028 1.00 10.11 H new ATOM 0 HG12 VAL A 61 -8.241 -6.742 9.470 1.00 10.11 H new ATOM 0 HG13 VAL A 61 -6.640 -6.129 9.949 1.00 10.11 H new ATOM 0 HG21 VAL A 61 -6.104 -4.695 7.266 1.00 42.24 H new ATOM 0 HG22 VAL A 61 -4.897 -5.691 8.113 1.00 42.24 H new ATOM 0 HG23 VAL A 61 -5.328 -6.058 6.426 1.00 42.24 H new ATOM 969 N ASP A 62 -4.268 -8.325 6.827 1.00 62.51 N ATOM 970 CA ASP A 62 -3.456 -8.469 5.644 1.00 21.11 C ATOM 971 C ASP A 62 -2.269 -9.386 5.945 1.00 12.54 C ATOM 972 O ASP A 62 -1.301 -8.981 6.588 1.00 73.13 O ATOM 973 CB ASP A 62 -3.004 -7.070 5.213 1.00 13.20 C ATOM 974 CG ASP A 62 -2.405 -7.018 3.817 1.00 51.31 C ATOM 975 OD1 ASP A 62 -1.223 -7.387 3.660 1.00 21.41 O ATOM 976 OD2 ASP A 62 -3.106 -6.577 2.874 1.00 41.30 O ATOM 0 H ASP A 62 -3.752 -8.036 7.658 1.00 62.51 H new ATOM 0 HA ASP A 62 -4.018 -8.927 4.830 1.00 21.11 H new ATOM 0 HB2 ASP A 62 -3.858 -6.394 5.257 1.00 13.20 H new ATOM 0 HB3 ASP A 62 -2.268 -6.701 5.927 1.00 13.20 H new ATOM 981 N LEU A 63 -2.379 -10.636 5.510 1.00 32.23 N ATOM 982 CA LEU A 63 -1.424 -11.678 5.882 1.00 4.20 C ATOM 983 C LEU A 63 -0.648 -12.159 4.664 1.00 62.50 C ATOM 984 O LEU A 63 -1.189 -12.881 3.835 1.00 44.02 O ATOM 985 CB LEU A 63 -2.164 -12.868 6.512 1.00 12.12 C ATOM 986 CG LEU A 63 -2.491 -12.770 8.011 1.00 15.44 C ATOM 987 CD1 LEU A 63 -3.234 -11.486 8.348 1.00 21.12 C ATOM 988 CD2 LEU A 63 -3.320 -13.972 8.433 1.00 24.53 C ATOM 0 H LEU A 63 -3.126 -10.956 4.894 1.00 32.23 H new ATOM 0 HA LEU A 63 -0.724 -11.256 6.603 1.00 4.20 H new ATOM 0 HB2 LEU A 63 -3.099 -13.012 5.970 1.00 12.12 H new ATOM 0 HB3 LEU A 63 -1.563 -13.763 6.354 1.00 12.12 H new ATOM 0 HG LEU A 63 -1.548 -12.758 8.558 1.00 15.44 H new ATOM 0 HD11 LEU A 63 -3.445 -11.458 9.417 1.00 21.12 H new ATOM 0 HD12 LEU A 63 -2.619 -10.628 8.077 1.00 21.12 H new ATOM 0 HD13 LEU A 63 -4.171 -11.451 7.792 1.00 21.12 H new ATOM 0 HD21 LEU A 63 -3.550 -13.900 9.496 1.00 24.53 H new ATOM 0 HD22 LEU A 63 -4.248 -13.993 7.861 1.00 24.53 H new ATOM 0 HD23 LEU A 63 -2.757 -14.886 8.245 1.00 24.53 H new ATOM 1000 N THR A 64 0.610 -11.728 4.544 1.00 53.13 N ATOM 1001 CA THR A 64 1.467 -12.105 3.410 1.00 60.12 C ATOM 1002 C THR A 64 0.983 -11.437 2.109 1.00 45.10 C ATOM 1003 O THR A 64 1.643 -11.489 1.052 1.00 25.22 O ATOM 1004 CB THR A 64 1.527 -13.644 3.251 1.00 70.41 C ATOM 1005 OG1 THR A 64 1.837 -14.244 4.518 1.00 13.11 O ATOM 1006 CG2 THR A 64 2.578 -14.066 2.234 1.00 24.34 C ATOM 0 H THR A 64 1.063 -11.114 5.221 1.00 53.13 H new ATOM 0 HA THR A 64 2.476 -11.748 3.617 1.00 60.12 H new ATOM 0 HB THR A 64 0.553 -13.979 2.895 1.00 70.41 H new ATOM 0 HG1 THR A 64 1.873 -15.218 4.418 1.00 13.11 H new ATOM 0 HG21 THR A 64 2.589 -15.153 2.152 1.00 24.34 H new ATOM 0 HG22 THR A 64 2.340 -13.631 1.263 1.00 24.34 H new ATOM 0 HG23 THR A 64 3.559 -13.717 2.558 1.00 24.34 H new ATOM 1014 N ALA A 65 -0.162 -10.773 2.200 1.00 62.40 N ATOM 1015 CA ALA A 65 -0.686 -10.009 1.092 1.00 72.24 C ATOM 1016 C ALA A 65 0.291 -8.913 0.723 1.00 20.15 C ATOM 1017 O ALA A 65 0.459 -8.611 -0.450 1.00 73.10 O ATOM 1018 CB ALA A 65 -2.044 -9.426 1.431 1.00 21.13 C ATOM 0 H ALA A 65 -0.743 -10.753 3.038 1.00 62.40 H new ATOM 0 HA ALA A 65 -0.815 -10.672 0.237 1.00 72.24 H new ATOM 0 HB1 ALA A 65 -2.417 -8.855 0.581 1.00 21.13 H new ATOM 0 HB2 ALA A 65 -2.740 -10.233 1.660 1.00 21.13 H new ATOM 0 HB3 ALA A 65 -1.952 -8.770 2.297 1.00 21.13 H new ATOM 1024 N LEU A 66 0.940 -8.333 1.736 1.00 55.54 N ATOM 1025 CA LEU A 66 1.994 -7.349 1.509 1.00 62.32 C ATOM 1026 C LEU A 66 3.162 -7.931 0.730 1.00 13.01 C ATOM 1027 O LEU A 66 3.872 -7.205 0.041 1.00 12.15 O ATOM 1028 CB LEU A 66 2.515 -6.687 2.807 1.00 13.53 C ATOM 1029 CG LEU A 66 2.891 -7.564 4.040 1.00 75.22 C ATOM 1030 CD1 LEU A 66 1.660 -8.110 4.746 1.00 44.22 C ATOM 1031 CD2 LEU A 66 3.823 -8.709 3.675 1.00 5.32 C ATOM 0 H LEU A 66 0.752 -8.530 2.719 1.00 55.54 H new ATOM 0 HA LEU A 66 1.520 -6.570 0.912 1.00 62.32 H new ATOM 0 HB2 LEU A 66 3.399 -6.107 2.541 1.00 13.53 H new ATOM 0 HB3 LEU A 66 1.755 -5.977 3.135 1.00 13.53 H new ATOM 0 HG LEU A 66 3.420 -6.900 4.724 1.00 75.22 H new ATOM 0 HD11 LEU A 66 1.968 -8.715 5.599 1.00 44.22 H new ATOM 0 HD12 LEU A 66 1.042 -7.282 5.093 1.00 44.22 H new ATOM 0 HD13 LEU A 66 1.086 -8.725 4.053 1.00 44.22 H new ATOM 0 HD21 LEU A 66 4.054 -9.289 4.569 1.00 5.32 H new ATOM 0 HD22 LEU A 66 3.339 -9.352 2.940 1.00 5.32 H new ATOM 0 HD23 LEU A 66 4.745 -8.308 3.254 1.00 5.32 H new ATOM 1043 N ASP A 67 3.363 -9.238 0.834 1.00 15.42 N ATOM 1044 CA ASP A 67 4.441 -9.877 0.112 1.00 61.22 C ATOM 1045 C ASP A 67 4.153 -9.773 -1.359 1.00 53.25 C ATOM 1046 O ASP A 67 4.929 -9.194 -2.110 1.00 61.24 O ATOM 1047 CB ASP A 67 4.610 -11.339 0.527 1.00 3.25 C ATOM 1048 CG ASP A 67 5.597 -12.081 -0.355 1.00 53.24 C ATOM 1049 OD1 ASP A 67 6.818 -11.933 -0.149 1.00 30.03 O ATOM 1050 OD2 ASP A 67 5.150 -12.821 -1.254 1.00 62.24 O ATOM 0 H ASP A 67 2.798 -9.866 1.406 1.00 15.42 H new ATOM 0 HA ASP A 67 5.378 -9.373 0.348 1.00 61.22 H new ATOM 0 HB2 ASP A 67 4.948 -11.383 1.562 1.00 3.25 H new ATOM 0 HB3 ASP A 67 3.643 -11.840 0.486 1.00 3.25 H new ATOM 1055 N ALA A 68 3.000 -10.293 -1.762 1.00 1.11 N ATOM 1056 CA ALA A 68 2.563 -10.153 -3.148 1.00 43.21 C ATOM 1057 C ALA A 68 2.507 -8.671 -3.520 1.00 11.22 C ATOM 1058 O ALA A 68 3.179 -8.215 -4.462 1.00 61.12 O ATOM 1059 CB ALA A 68 1.204 -10.812 -3.350 1.00 10.22 C ATOM 0 H ALA A 68 2.358 -10.808 -1.160 1.00 1.11 H new ATOM 0 HA ALA A 68 3.278 -10.654 -3.800 1.00 43.21 H new ATOM 0 HB1 ALA A 68 0.895 -10.697 -4.389 1.00 10.22 H new ATOM 0 HB2 ALA A 68 1.274 -11.872 -3.107 1.00 10.22 H new ATOM 0 HB3 ALA A 68 0.470 -10.338 -2.699 1.00 10.22 H new ATOM 1065 N LEU A 69 1.755 -7.937 -2.705 1.00 45.23 N ATOM 1066 CA LEU A 69 1.502 -6.515 -2.881 1.00 1.34 C ATOM 1067 C LEU A 69 2.785 -5.747 -3.159 1.00 71.41 C ATOM 1068 O LEU A 69 3.028 -5.318 -4.281 1.00 40.21 O ATOM 1069 CB LEU A 69 0.861 -5.954 -1.605 1.00 44.45 C ATOM 1070 CG LEU A 69 -0.204 -4.870 -1.785 1.00 4.01 C ATOM 1071 CD1 LEU A 69 -0.631 -4.326 -0.431 1.00 31.15 C ATOM 1072 CD2 LEU A 69 0.291 -3.743 -2.670 1.00 11.13 C ATOM 0 H LEU A 69 1.294 -8.327 -1.883 1.00 45.23 H new ATOM 0 HA LEU A 69 0.836 -6.397 -3.736 1.00 1.34 H new ATOM 0 HB2 LEU A 69 0.412 -6.783 -1.058 1.00 44.45 H new ATOM 0 HB3 LEU A 69 1.654 -5.549 -0.976 1.00 44.45 H new ATOM 0 HG LEU A 69 -1.064 -5.325 -2.277 1.00 4.01 H new ATOM 0 HD11 LEU A 69 -1.389 -3.555 -0.571 1.00 31.15 H new ATOM 0 HD12 LEU A 69 -1.043 -5.135 0.173 1.00 31.15 H new ATOM 0 HD13 LEU A 69 0.232 -3.897 0.078 1.00 31.15 H new ATOM 0 HD21 LEU A 69 -0.492 -2.992 -2.775 1.00 11.13 H new ATOM 0 HD22 LEU A 69 1.173 -3.287 -2.220 1.00 11.13 H new ATOM 0 HD23 LEU A 69 0.549 -4.138 -3.653 1.00 11.13 H new ATOM 1084 N ASP A 70 3.615 -5.605 -2.142 1.00 33.42 N ATOM 1085 CA ASP A 70 4.729 -4.677 -2.211 1.00 42.11 C ATOM 1086 C ASP A 70 6.015 -5.314 -2.683 1.00 51.15 C ATOM 1087 O ASP A 70 7.056 -4.673 -2.639 1.00 52.21 O ATOM 1088 CB ASP A 70 4.950 -3.975 -0.878 1.00 32.02 C ATOM 1089 CG ASP A 70 4.150 -2.683 -0.775 1.00 12.35 C ATOM 1090 OD1 ASP A 70 2.994 -2.651 -1.250 1.00 72.31 O ATOM 1091 OD2 ASP A 70 4.685 -1.685 -0.243 1.00 70.53 O ATOM 0 H ASP A 70 3.540 -6.117 -1.263 1.00 33.42 H new ATOM 0 HA ASP A 70 4.447 -3.939 -2.962 1.00 42.11 H new ATOM 0 HB2 ASP A 70 4.666 -4.643 -0.065 1.00 32.02 H new ATOM 0 HB3 ASP A 70 6.011 -3.756 -0.755 1.00 32.02 H new ATOM 1096 N GLN A 71 5.977 -6.555 -3.142 1.00 73.41 N ATOM 1097 CA GLN A 71 7.104 -7.048 -3.913 1.00 3.24 C ATOM 1098 C GLN A 71 6.960 -6.490 -5.319 1.00 64.02 C ATOM 1099 O GLN A 71 7.902 -5.913 -5.873 1.00 14.22 O ATOM 1100 CB GLN A 71 7.197 -8.584 -3.926 1.00 62.40 C ATOM 1101 CG GLN A 71 6.386 -9.259 -5.017 1.00 31.32 C ATOM 1102 CD GLN A 71 6.265 -10.744 -4.814 1.00 24.32 C ATOM 1103 OE1 GLN A 71 7.068 -11.534 -5.320 1.00 52.03 O ATOM 1104 NE2 GLN A 71 5.273 -11.124 -4.043 1.00 70.41 N ATOM 0 H GLN A 71 5.212 -7.215 -3.002 1.00 73.41 H new ATOM 0 HA GLN A 71 8.033 -6.714 -3.451 1.00 3.24 H new ATOM 0 HB2 GLN A 71 8.243 -8.870 -4.040 1.00 62.40 H new ATOM 0 HB3 GLN A 71 6.866 -8.963 -2.959 1.00 62.40 H new ATOM 0 HG2 GLN A 71 5.390 -8.818 -5.049 1.00 31.32 H new ATOM 0 HG3 GLN A 71 6.852 -9.065 -5.983 1.00 31.32 H new ATOM 0 HE21 GLN A 71 4.638 -10.430 -3.650 1.00 70.41 H new ATOM 0 HE22 GLN A 71 5.138 -12.114 -3.837 1.00 70.41 H new ATOM 1113 N LEU A 72 5.746 -6.590 -5.868 1.00 30.11 N ATOM 1114 CA LEU A 72 5.494 -6.033 -7.180 1.00 44.21 C ATOM 1115 C LEU A 72 5.321 -4.530 -7.066 1.00 55.31 C ATOM 1116 O LEU A 72 5.759 -3.784 -7.928 1.00 2.50 O ATOM 1117 CB LEU A 72 4.290 -6.706 -7.871 1.00 70.42 C ATOM 1118 CG LEU A 72 2.935 -6.632 -7.146 1.00 25.14 C ATOM 1119 CD1 LEU A 72 2.196 -5.346 -7.487 1.00 43.52 C ATOM 1120 CD2 LEU A 72 2.082 -7.840 -7.499 1.00 4.41 C ATOM 0 H LEU A 72 4.945 -7.043 -5.428 1.00 30.11 H new ATOM 0 HA LEU A 72 6.355 -6.236 -7.818 1.00 44.21 H new ATOM 0 HB2 LEU A 72 4.171 -6.257 -8.857 1.00 70.42 H new ATOM 0 HB3 LEU A 72 4.533 -7.757 -8.027 1.00 70.42 H new ATOM 0 HG LEU A 72 3.127 -6.635 -6.073 1.00 25.14 H new ATOM 0 HD11 LEU A 72 1.242 -5.323 -6.959 1.00 43.52 H new ATOM 0 HD12 LEU A 72 2.798 -4.489 -7.185 1.00 43.52 H new ATOM 0 HD13 LEU A 72 2.017 -5.303 -8.561 1.00 43.52 H new ATOM 0 HD21 LEU A 72 1.126 -7.775 -6.979 1.00 4.41 H new ATOM 0 HD22 LEU A 72 1.909 -7.861 -8.575 1.00 4.41 H new ATOM 0 HD23 LEU A 72 2.598 -8.751 -7.196 1.00 4.41 H new ATOM 1132 N ARG A 73 4.730 -4.079 -5.969 1.00 21.33 N ATOM 1133 CA ARG A 73 4.498 -2.659 -5.780 1.00 2.33 C ATOM 1134 C ARG A 73 5.772 -1.903 -5.457 1.00 73.34 C ATOM 1135 O ARG A 73 5.892 -0.757 -5.841 1.00 43.33 O ATOM 1136 CB ARG A 73 3.456 -2.384 -4.712 1.00 21.42 C ATOM 1137 CG ARG A 73 2.098 -2.022 -5.275 1.00 11.53 C ATOM 1138 CD ARG A 73 1.361 -1.086 -4.339 1.00 3.21 C ATOM 1139 NE ARG A 73 1.988 0.236 -4.284 1.00 31.24 N ATOM 1140 CZ ARG A 73 2.798 0.648 -3.305 1.00 1.25 C ATOM 1141 NH1 ARG A 73 3.118 -0.163 -2.302 1.00 62.22 N ATOM 1142 NH2 ARG A 73 3.291 1.876 -3.339 1.00 10.11 N ATOM 0 H ARG A 73 4.406 -4.671 -5.204 1.00 21.33 H new ATOM 0 HA ARG A 73 4.118 -2.296 -6.735 1.00 2.33 H new ATOM 0 HB2 ARG A 73 3.355 -3.265 -4.078 1.00 21.42 H new ATOM 0 HB3 ARG A 73 3.805 -1.571 -4.075 1.00 21.42 H new ATOM 0 HG2 ARG A 73 2.217 -1.549 -6.250 1.00 11.53 H new ATOM 0 HG3 ARG A 73 1.510 -2.927 -5.429 1.00 11.53 H new ATOM 0 HD2 ARG A 73 0.327 -0.984 -4.668 1.00 3.21 H new ATOM 0 HD3 ARG A 73 1.336 -1.518 -3.339 1.00 3.21 H new ATOM 0 HE ARG A 73 1.793 0.887 -5.045 1.00 31.24 H new ATOM 0 HH11 ARG A 73 2.744 -1.112 -2.274 1.00 62.22 H new ATOM 0 HH12 ARG A 73 3.738 0.163 -1.560 1.00 62.22 H new ATOM 0 HH21 ARG A 73 3.052 2.500 -4.109 1.00 10.11 H new ATOM 0 HH22 ARG A 73 3.910 2.198 -2.595 1.00 10.11 H new ATOM 1156 N THR A 74 6.721 -2.512 -4.749 1.00 42.21 N ATOM 1157 CA THR A 74 7.997 -1.839 -4.525 1.00 1.41 C ATOM 1158 C THR A 74 8.760 -1.801 -5.848 1.00 12.03 C ATOM 1159 O THR A 74 9.455 -0.834 -6.163 1.00 35.33 O ATOM 1160 CB THR A 74 8.850 -2.518 -3.415 1.00 52.11 C ATOM 1161 OG1 THR A 74 9.795 -1.588 -2.870 1.00 43.11 O ATOM 1162 CG2 THR A 74 9.606 -3.731 -3.942 1.00 73.41 C ATOM 0 H THR A 74 6.637 -3.439 -4.333 1.00 42.21 H new ATOM 0 HA THR A 74 7.796 -0.828 -4.170 1.00 1.41 H new ATOM 0 HB THR A 74 8.157 -2.847 -2.640 1.00 52.11 H new ATOM 0 HG1 THR A 74 9.317 -0.874 -2.399 1.00 43.11 H new ATOM 0 HG21 THR A 74 10.189 -4.175 -3.135 1.00 73.41 H new ATOM 0 HG22 THR A 74 8.896 -4.465 -4.323 1.00 73.41 H new ATOM 0 HG23 THR A 74 10.275 -3.422 -4.745 1.00 73.41 H new ATOM 1170 N GLU A 75 8.575 -2.855 -6.640 1.00 70.34 N ATOM 1171 CA GLU A 75 9.138 -2.931 -7.975 1.00 31.12 C ATOM 1172 C GLU A 75 8.541 -1.845 -8.875 1.00 63.01 C ATOM 1173 O GLU A 75 9.197 -1.338 -9.786 1.00 13.14 O ATOM 1174 CB GLU A 75 8.842 -4.312 -8.552 1.00 11.45 C ATOM 1175 CG GLU A 75 9.482 -4.573 -9.905 1.00 72.12 C ATOM 1176 CD GLU A 75 10.984 -4.723 -9.821 1.00 5.14 C ATOM 1177 OE1 GLU A 75 11.678 -3.713 -9.585 1.00 34.03 O ATOM 1178 OE2 GLU A 75 11.475 -5.855 -9.996 1.00 2.24 O ATOM 0 H GLU A 75 8.032 -3.675 -6.370 1.00 70.34 H new ATOM 0 HA GLU A 75 10.215 -2.772 -7.924 1.00 31.12 H new ATOM 0 HB2 GLU A 75 9.187 -5.069 -7.848 1.00 11.45 H new ATOM 0 HB3 GLU A 75 7.762 -4.431 -8.644 1.00 11.45 H new ATOM 0 HG2 GLU A 75 9.054 -5.478 -10.336 1.00 72.12 H new ATOM 0 HG3 GLU A 75 9.240 -3.753 -10.581 1.00 72.12 H new ATOM 1185 N LEU A 76 7.295 -1.495 -8.606 1.00 53.33 N ATOM 1186 CA LEU A 76 6.566 -0.524 -9.416 1.00 21.33 C ATOM 1187 C LEU A 76 6.698 0.888 -8.833 1.00 4.32 C ATOM 1188 O LEU A 76 6.598 1.883 -9.551 1.00 61.32 O ATOM 1189 CB LEU A 76 5.083 -0.930 -9.497 1.00 0.53 C ATOM 1190 CG LEU A 76 4.719 -2.045 -10.506 1.00 42.45 C ATOM 1191 CD1 LEU A 76 5.907 -2.939 -10.840 1.00 72.34 C ATOM 1192 CD2 LEU A 76 3.583 -2.899 -9.954 1.00 15.01 C ATOM 0 H LEU A 76 6.759 -1.872 -7.824 1.00 53.33 H new ATOM 0 HA LEU A 76 6.995 -0.515 -10.418 1.00 21.33 H new ATOM 0 HB2 LEU A 76 4.764 -1.252 -8.506 1.00 0.53 H new ATOM 0 HB3 LEU A 76 4.501 -0.043 -9.747 1.00 0.53 H new ATOM 0 HG LEU A 76 4.407 -1.552 -11.426 1.00 42.45 H new ATOM 0 HD11 LEU A 76 5.598 -3.704 -11.552 1.00 72.34 H new ATOM 0 HD12 LEU A 76 6.704 -2.337 -11.278 1.00 72.34 H new ATOM 0 HD13 LEU A 76 6.271 -3.416 -9.930 1.00 72.34 H new ATOM 0 HD21 LEU A 76 3.334 -3.681 -10.671 1.00 15.01 H new ATOM 0 HD22 LEU A 76 3.894 -3.355 -9.014 1.00 15.01 H new ATOM 0 HD23 LEU A 76 2.708 -2.273 -9.782 1.00 15.01 H new ATOM 1204 N LEU A 77 6.942 0.959 -7.530 1.00 10.33 N ATOM 1205 CA LEU A 77 7.044 2.230 -6.821 1.00 31.42 C ATOM 1206 C LEU A 77 8.342 2.928 -7.181 1.00 53.25 C ATOM 1207 O LEU A 77 8.368 4.134 -7.421 1.00 45.14 O ATOM 1208 CB LEU A 77 6.959 1.982 -5.306 1.00 33.53 C ATOM 1209 CG LEU A 77 6.728 3.209 -4.417 1.00 2.44 C ATOM 1210 CD1 LEU A 77 6.271 2.761 -3.042 1.00 63.31 C ATOM 1211 CD2 LEU A 77 7.989 4.046 -4.287 1.00 72.34 C ATOM 0 H LEU A 77 7.074 0.140 -6.936 1.00 10.33 H new ATOM 0 HA LEU A 77 6.218 2.877 -7.117 1.00 31.42 H new ATOM 0 HB2 LEU A 77 6.152 1.273 -5.123 1.00 33.53 H new ATOM 0 HB3 LEU A 77 7.884 1.501 -4.988 1.00 33.53 H new ATOM 0 HG LEU A 77 5.959 3.825 -4.883 1.00 2.44 H new ATOM 0 HD11 LEU A 77 6.107 3.634 -2.411 1.00 63.31 H new ATOM 0 HD12 LEU A 77 5.341 2.199 -3.133 1.00 63.31 H new ATOM 0 HD13 LEU A 77 7.036 2.127 -2.593 1.00 63.31 H new ATOM 0 HD21 LEU A 77 7.790 4.908 -3.650 1.00 72.34 H new ATOM 0 HD22 LEU A 77 8.782 3.443 -3.844 1.00 72.34 H new ATOM 0 HD23 LEU A 77 8.302 4.388 -5.273 1.00 72.34 H new ATOM 1223 N ARG A 78 9.404 2.141 -7.265 1.00 64.30 N ATOM 1224 CA ARG A 78 10.745 2.639 -7.566 1.00 43.22 C ATOM 1225 C ARG A 78 10.850 3.209 -8.992 1.00 51.43 C ATOM 1226 O ARG A 78 11.954 3.440 -9.493 1.00 52.12 O ATOM 1227 CB ARG A 78 11.738 1.487 -7.403 1.00 23.41 C ATOM 1228 CG ARG A 78 11.503 0.359 -8.400 1.00 61.43 C ATOM 1229 CD ARG A 78 12.235 -0.917 -8.022 1.00 65.34 C ATOM 1230 NE ARG A 78 13.688 -0.763 -8.048 1.00 4.42 N ATOM 1231 CZ ARG A 78 14.534 -1.768 -8.275 1.00 65.44 C ATOM 1232 NH1 ARG A 78 14.073 -2.976 -8.587 1.00 54.35 N ATOM 1233 NH2 ARG A 78 15.841 -1.555 -8.221 1.00 45.44 N ATOM 0 H ARG A 78 9.363 1.131 -7.126 1.00 64.30 H new ATOM 0 HA ARG A 78 10.970 3.452 -6.876 1.00 43.22 H new ATOM 0 HB2 ARG A 78 12.752 1.868 -7.525 1.00 23.41 H new ATOM 0 HB3 ARG A 78 11.665 1.091 -6.390 1.00 23.41 H new ATOM 0 HG2 ARG A 78 10.434 0.154 -8.466 1.00 61.43 H new ATOM 0 HG3 ARG A 78 11.828 0.680 -9.390 1.00 61.43 H new ATOM 0 HD2 ARG A 78 11.925 -1.227 -7.024 1.00 65.34 H new ATOM 0 HD3 ARG A 78 11.946 -1.713 -8.708 1.00 65.34 H new ATOM 0 HE ARG A 78 14.077 0.166 -7.883 1.00 4.42 H new ATOM 0 HH11 ARG A 78 13.068 -3.137 -8.654 1.00 54.35 H new ATOM 0 HH12 ARG A 78 14.725 -3.742 -8.760 1.00 54.35 H new ATOM 0 HH21 ARG A 78 16.198 -0.624 -8.006 1.00 45.44 H new ATOM 0 HH22 ARG A 78 16.490 -2.322 -8.394 1.00 45.44 H new ATOM 1247 N ARG A 79 9.711 3.438 -9.637 1.00 20.22 N ATOM 1248 CA ARG A 79 9.685 3.894 -11.020 1.00 31.21 C ATOM 1249 C ARG A 79 9.158 5.326 -11.114 1.00 70.42 C ATOM 1250 O ARG A 79 9.837 6.215 -11.636 1.00 31.15 O ATOM 1251 CB ARG A 79 8.804 2.971 -11.871 1.00 41.44 C ATOM 1252 CG ARG A 79 9.054 1.486 -11.648 1.00 44.23 C ATOM 1253 CD ARG A 79 10.488 1.087 -11.955 1.00 64.30 C ATOM 1254 NE ARG A 79 10.829 1.307 -13.358 1.00 44.32 N ATOM 1255 CZ ARG A 79 10.742 0.368 -14.297 1.00 34.23 C ATOM 1256 NH1 ARG A 79 10.337 -0.852 -13.978 1.00 31.10 N ATOM 1257 NH2 ARG A 79 11.081 0.644 -15.548 1.00 11.11 N ATOM 0 H ARG A 79 8.789 3.314 -9.220 1.00 20.22 H new ATOM 0 HA ARG A 79 10.707 3.869 -11.398 1.00 31.21 H new ATOM 0 HB2 ARG A 79 7.758 3.188 -11.656 1.00 41.44 H new ATOM 0 HB3 ARG A 79 8.968 3.201 -12.924 1.00 41.44 H new ATOM 0 HG2 ARG A 79 8.823 1.233 -10.613 1.00 44.23 H new ATOM 0 HG3 ARG A 79 8.376 0.908 -12.276 1.00 44.23 H new ATOM 0 HD2 ARG A 79 11.167 1.660 -11.323 1.00 64.30 H new ATOM 0 HD3 ARG A 79 10.633 0.035 -11.707 1.00 64.30 H new ATOM 0 HE ARG A 79 11.153 2.234 -13.634 1.00 44.32 H new ATOM 0 HH11 ARG A 79 10.092 -1.072 -13.013 1.00 31.10 H new ATOM 0 HH12 ARG A 79 10.270 -1.572 -14.698 1.00 31.10 H new ATOM 0 HH21 ARG A 79 11.410 1.578 -15.793 1.00 11.11 H new ATOM 0 HH22 ARG A 79 11.013 -0.078 -16.266 1.00 11.11 H new ATOM 1271 N GLY A 80 7.950 5.548 -10.601 1.00 13.44 N ATOM 1272 CA GLY A 80 7.307 6.842 -10.748 1.00 5.41 C ATOM 1273 C GLY A 80 7.027 7.513 -9.421 1.00 55.13 C ATOM 1274 O GLY A 80 7.644 7.181 -8.408 1.00 44.13 O ATOM 0 H GLY A 80 7.406 4.855 -10.087 1.00 13.44 H new ATOM 0 HA2 GLY A 80 7.942 7.491 -11.351 1.00 5.41 H new ATOM 0 HA3 GLY A 80 6.370 6.717 -11.291 1.00 5.41 H new ATOM 1278 N ILE A 81 6.092 8.457 -9.415 1.00 54.42 N ATOM 1279 CA ILE A 81 5.752 9.181 -8.201 1.00 4.20 C ATOM 1280 C ILE A 81 4.681 8.426 -7.407 1.00 73.23 C ATOM 1281 O ILE A 81 3.472 8.569 -7.616 1.00 73.42 O ATOM 1282 CB ILE A 81 5.317 10.638 -8.500 1.00 74.40 C ATOM 1283 CG1 ILE A 81 4.878 11.351 -7.219 1.00 34.12 C ATOM 1284 CG2 ILE A 81 4.223 10.682 -9.556 1.00 41.52 C ATOM 1285 CD1 ILE A 81 5.985 11.502 -6.194 1.00 23.21 C ATOM 0 H ILE A 81 5.558 8.737 -10.238 1.00 54.42 H new ATOM 0 HA ILE A 81 6.650 9.242 -7.587 1.00 4.20 H new ATOM 0 HB ILE A 81 6.181 11.169 -8.900 1.00 74.40 H new ATOM 0 HG12 ILE A 81 4.496 12.339 -7.476 1.00 34.12 H new ATOM 0 HG13 ILE A 81 4.053 10.798 -6.770 1.00 34.12 H new ATOM 0 HG21 ILE A 81 3.940 11.718 -9.743 1.00 41.52 H new ATOM 0 HG22 ILE A 81 4.590 10.233 -10.479 1.00 41.52 H new ATOM 0 HG23 ILE A 81 3.354 10.126 -9.203 1.00 41.52 H new ATOM 0 HD11 ILE A 81 5.598 12.016 -5.314 1.00 23.21 H new ATOM 0 HD12 ILE A 81 6.352 10.517 -5.907 1.00 23.21 H new ATOM 0 HD13 ILE A 81 6.802 12.082 -6.623 1.00 23.21 H new ATOM 1297 N VAL A 82 5.155 7.584 -6.514 1.00 63.50 N ATOM 1298 CA VAL A 82 4.297 6.742 -5.709 1.00 65.42 C ATOM 1299 C VAL A 82 5.012 6.392 -4.411 1.00 45.24 C ATOM 1300 O VAL A 82 6.236 6.391 -4.372 1.00 51.04 O ATOM 1301 CB VAL A 82 3.900 5.460 -6.493 1.00 62.24 C ATOM 1302 CG1 VAL A 82 5.105 4.863 -7.198 1.00 50.34 C ATOM 1303 CG2 VAL A 82 3.250 4.420 -5.588 1.00 35.21 C ATOM 0 H VAL A 82 6.150 7.464 -6.325 1.00 63.50 H new ATOM 0 HA VAL A 82 3.379 7.280 -5.472 1.00 65.42 H new ATOM 0 HB VAL A 82 3.165 5.756 -7.241 1.00 62.24 H new ATOM 0 HG11 VAL A 82 4.802 3.967 -7.740 1.00 50.34 H new ATOM 0 HG12 VAL A 82 5.514 5.591 -7.899 1.00 50.34 H new ATOM 0 HG13 VAL A 82 5.865 4.602 -6.462 1.00 50.34 H new ATOM 0 HG21 VAL A 82 2.988 3.540 -6.175 1.00 35.21 H new ATOM 0 HG22 VAL A 82 3.948 4.136 -4.800 1.00 35.21 H new ATOM 0 HG23 VAL A 82 2.349 4.839 -5.141 1.00 35.21 H new ATOM 1313 N PHE A 83 4.255 6.159 -3.345 1.00 72.44 N ATOM 1314 CA PHE A 83 4.833 5.754 -2.066 1.00 33.30 C ATOM 1315 C PHE A 83 3.912 4.769 -1.346 1.00 53.33 C ATOM 1316 O PHE A 83 2.936 4.279 -1.921 1.00 35.51 O ATOM 1317 CB PHE A 83 5.092 6.972 -1.173 1.00 71.13 C ATOM 1318 CG PHE A 83 6.207 7.862 -1.647 1.00 55.22 C ATOM 1319 CD1 PHE A 83 7.531 7.485 -1.473 1.00 0.14 C ATOM 1320 CD2 PHE A 83 5.935 9.073 -2.259 1.00 43.53 C ATOM 1321 CE1 PHE A 83 8.559 8.303 -1.903 1.00 24.23 C ATOM 1322 CE2 PHE A 83 6.959 9.893 -2.693 1.00 21.34 C ATOM 1323 CZ PHE A 83 8.272 9.508 -2.513 1.00 50.11 C ATOM 0 H PHE A 83 3.239 6.243 -3.340 1.00 72.44 H new ATOM 0 HA PHE A 83 5.784 5.263 -2.271 1.00 33.30 H new ATOM 0 HB2 PHE A 83 4.177 7.560 -1.107 1.00 71.13 H new ATOM 0 HB3 PHE A 83 5.322 6.626 -0.165 1.00 71.13 H new ATOM 0 HD1 PHE A 83 7.761 6.543 -0.997 1.00 0.14 H new ATOM 0 HD2 PHE A 83 4.909 9.381 -2.399 1.00 43.53 H new ATOM 0 HE1 PHE A 83 9.586 8.000 -1.762 1.00 24.23 H new ATOM 0 HE2 PHE A 83 6.732 10.834 -3.172 1.00 21.34 H new ATOM 0 HZ PHE A 83 9.074 10.148 -2.849 1.00 50.11 H new ATOM 1333 N ALA A 84 4.233 4.468 -0.099 1.00 54.02 N ATOM 1334 CA ALA A 84 3.405 3.587 0.711 1.00 31.41 C ATOM 1335 C ALA A 84 3.705 3.781 2.187 1.00 32.33 C ATOM 1336 O ALA A 84 4.810 4.185 2.557 1.00 32.41 O ATOM 1337 CB ALA A 84 3.617 2.137 0.315 1.00 53.12 C ATOM 0 H ALA A 84 5.063 4.821 0.377 1.00 54.02 H new ATOM 0 HA ALA A 84 2.361 3.843 0.533 1.00 31.41 H new ATOM 0 HB1 ALA A 84 2.989 1.495 0.933 1.00 53.12 H new ATOM 0 HB2 ALA A 84 3.351 2.004 -0.734 1.00 53.12 H new ATOM 0 HB3 ALA A 84 4.663 1.869 0.461 1.00 53.12 H new ATOM 1343 N MET A 85 2.720 3.494 3.024 1.00 52.20 N ATOM 1344 CA MET A 85 2.857 3.697 4.458 1.00 50.43 C ATOM 1345 C MET A 85 2.283 2.532 5.257 1.00 1.33 C ATOM 1346 O MET A 85 1.098 2.181 5.120 1.00 5.41 O ATOM 1347 CB MET A 85 2.178 4.996 4.877 1.00 13.22 C ATOM 1348 CG MET A 85 0.846 5.238 4.204 1.00 75.44 C ATOM 1349 SD MET A 85 -0.259 6.220 5.224 1.00 33.52 S ATOM 1350 CE MET A 85 -0.701 5.012 6.476 1.00 62.14 C ATOM 0 H MET A 85 1.816 3.120 2.735 1.00 52.20 H new ATOM 0 HA MET A 85 3.923 3.757 4.676 1.00 50.43 H new ATOM 0 HB2 MET A 85 2.031 4.985 5.957 1.00 13.22 H new ATOM 0 HB3 MET A 85 2.843 5.830 4.654 1.00 13.22 H new ATOM 0 HG2 MET A 85 1.008 5.746 3.253 1.00 75.44 H new ATOM 0 HG3 MET A 85 0.375 4.281 3.978 1.00 75.44 H new ATOM 0 HE1 MET A 85 -1.504 5.409 7.097 1.00 62.14 H new ATOM 0 HE2 MET A 85 -1.035 4.093 5.993 1.00 62.14 H new ATOM 0 HE3 MET A 85 0.168 4.799 7.099 1.00 62.14 H new ATOM 1360 N ALA A 86 3.137 1.947 6.091 1.00 42.14 N ATOM 1361 CA ALA A 86 2.756 0.848 6.968 1.00 70.04 C ATOM 1362 C ALA A 86 2.078 1.337 8.248 1.00 4.20 C ATOM 1363 O ALA A 86 1.995 2.545 8.507 1.00 54.13 O ATOM 1364 CB ALA A 86 3.979 0.026 7.320 1.00 11.22 C ATOM 0 H ALA A 86 4.115 2.223 6.177 1.00 42.14 H new ATOM 0 HA ALA A 86 2.034 0.234 6.428 1.00 70.04 H new ATOM 0 HB1 ALA A 86 3.689 -0.795 7.976 1.00 11.22 H new ATOM 0 HB2 ALA A 86 4.421 -0.377 6.409 1.00 11.22 H new ATOM 0 HB3 ALA A 86 4.708 0.657 7.829 1.00 11.22 H new ATOM 1370 N ARG A 87 1.612 0.381 9.048 1.00 42.13 N ATOM 1371 CA ARG A 87 0.920 0.674 10.298 1.00 23.13 C ATOM 1372 C ARG A 87 1.375 -0.290 11.399 1.00 54.44 C ATOM 1373 O ARG A 87 1.855 -1.386 11.100 1.00 54.51 O ATOM 1374 CB ARG A 87 -0.594 0.531 10.099 1.00 13.43 C ATOM 1375 CG ARG A 87 -1.431 1.081 11.245 1.00 43.31 C ATOM 1376 CD ARG A 87 -1.617 2.582 11.129 1.00 20.22 C ATOM 1377 NE ARG A 87 -2.132 3.171 12.368 1.00 52.23 N ATOM 1378 CZ ARG A 87 -2.561 4.429 12.483 1.00 13.51 C ATOM 1379 NH1 ARG A 87 -2.617 5.218 11.418 1.00 34.41 N ATOM 1380 NH2 ARG A 87 -2.948 4.889 13.666 1.00 51.53 N ATOM 0 H ARG A 87 1.704 -0.615 8.848 1.00 42.13 H new ATOM 0 HA ARG A 87 1.159 1.695 10.595 1.00 23.13 H new ATOM 0 HB2 ARG A 87 -0.878 1.043 9.179 1.00 13.43 H new ATOM 0 HB3 ARG A 87 -0.833 -0.524 9.964 1.00 13.43 H new ATOM 0 HG2 ARG A 87 -2.405 0.592 11.252 1.00 43.31 H new ATOM 0 HG3 ARG A 87 -0.949 0.846 12.194 1.00 43.31 H new ATOM 0 HD2 ARG A 87 -0.664 3.046 10.876 1.00 20.22 H new ATOM 0 HD3 ARG A 87 -2.304 2.800 10.312 1.00 20.22 H new ATOM 0 HE ARG A 87 -2.165 2.579 13.198 1.00 52.23 H new ATOM 0 HH11 ARG A 87 -2.331 4.864 10.505 1.00 34.41 H new ATOM 0 HH12 ARG A 87 -2.946 6.179 11.512 1.00 34.41 H new ATOM 0 HH21 ARG A 87 -2.917 4.281 14.485 1.00 51.53 H new ATOM 0 HH22 ARG A 87 -3.276 5.850 13.757 1.00 51.53 H new ATOM 1394 N VAL A 88 1.224 0.147 12.657 1.00 73.34 N ATOM 1395 CA VAL A 88 1.438 -0.673 13.867 1.00 43.32 C ATOM 1396 C VAL A 88 2.782 -1.413 13.902 1.00 2.53 C ATOM 1397 O VAL A 88 3.678 -1.166 13.098 1.00 21.54 O ATOM 1398 CB VAL A 88 0.284 -1.686 14.115 1.00 1.13 C ATOM 1399 CG1 VAL A 88 -1.057 -0.970 14.141 1.00 54.30 C ATOM 1400 CG2 VAL A 88 0.276 -2.815 13.092 1.00 40.42 C ATOM 0 H VAL A 88 0.943 1.104 12.871 1.00 73.34 H new ATOM 0 HA VAL A 88 1.452 0.060 14.674 1.00 43.32 H new ATOM 0 HB VAL A 88 0.458 -2.142 15.089 1.00 1.13 H new ATOM 0 HG11 VAL A 88 -1.853 -1.694 14.316 1.00 54.30 H new ATOM 0 HG12 VAL A 88 -1.059 -0.229 14.941 1.00 54.30 H new ATOM 0 HG13 VAL A 88 -1.222 -0.472 13.185 1.00 54.30 H new ATOM 0 HG21 VAL A 88 -0.548 -3.496 13.308 1.00 40.42 H new ATOM 0 HG22 VAL A 88 0.151 -2.399 12.092 1.00 40.42 H new ATOM 0 HG23 VAL A 88 1.219 -3.359 13.143 1.00 40.42 H new ATOM 1410 N LYS A 89 2.907 -2.311 14.875 1.00 32.11 N ATOM 1411 CA LYS A 89 4.150 -3.031 15.124 1.00 11.51 C ATOM 1412 C LYS A 89 4.191 -4.392 14.424 1.00 74.10 C ATOM 1413 O LYS A 89 5.062 -5.214 14.711 1.00 31.31 O ATOM 1414 CB LYS A 89 4.352 -3.199 16.639 1.00 51.12 C ATOM 1415 CG LYS A 89 3.096 -3.627 17.399 1.00 55.32 C ATOM 1416 CD LYS A 89 2.731 -5.081 17.147 1.00 63.33 C ATOM 1417 CE LYS A 89 1.389 -5.440 17.768 1.00 64.30 C ATOM 1418 NZ LYS A 89 1.355 -5.192 19.233 1.00 21.14 N ATOM 0 H LYS A 89 2.150 -2.559 15.512 1.00 32.11 H new ATOM 0 HA LYS A 89 4.964 -2.440 14.705 1.00 11.51 H new ATOM 0 HB2 LYS A 89 5.135 -3.938 16.809 1.00 51.12 H new ATOM 0 HB3 LYS A 89 4.709 -2.256 17.053 1.00 51.12 H new ATOM 0 HG2 LYS A 89 3.252 -3.475 18.467 1.00 55.32 H new ATOM 0 HG3 LYS A 89 2.262 -2.990 17.104 1.00 55.32 H new ATOM 0 HD2 LYS A 89 2.697 -5.267 16.074 1.00 63.33 H new ATOM 0 HD3 LYS A 89 3.507 -5.727 17.558 1.00 63.33 H new ATOM 0 HE2 LYS A 89 0.602 -4.859 17.286 1.00 64.30 H new ATOM 0 HE3 LYS A 89 1.173 -6.491 17.576 1.00 64.30 H new ATOM 0 HZ1 LYS A 89 0.482 -5.591 19.633 1.00 21.14 H new ATOM 0 HZ2 LYS A 89 2.178 -5.643 19.681 1.00 21.14 H new ATOM 0 HZ3 LYS A 89 1.381 -4.168 19.412 1.00 21.14 H new ATOM 1432 N GLN A 90 3.268 -4.635 13.504 1.00 52.32 N ATOM 1433 CA GLN A 90 3.254 -5.904 12.780 1.00 41.12 C ATOM 1434 C GLN A 90 3.500 -5.720 11.291 1.00 63.32 C ATOM 1435 O GLN A 90 4.289 -6.452 10.700 1.00 65.33 O ATOM 1436 CB GLN A 90 1.941 -6.663 12.989 1.00 14.23 C ATOM 1437 CG GLN A 90 1.857 -7.386 14.324 1.00 60.03 C ATOM 1438 CD GLN A 90 0.686 -8.352 14.414 1.00 21.32 C ATOM 1439 OE1 GLN A 90 0.132 -8.567 15.491 1.00 42.41 O ATOM 1440 NE2 GLN A 90 0.314 -8.964 13.297 1.00 34.22 N ATOM 0 H GLN A 90 2.529 -3.983 13.242 1.00 52.32 H new ATOM 0 HA GLN A 90 4.072 -6.493 13.194 1.00 41.12 H new ATOM 0 HB2 GLN A 90 1.110 -5.961 12.913 1.00 14.23 H new ATOM 0 HB3 GLN A 90 1.819 -7.389 12.185 1.00 14.23 H new ATOM 0 HG2 GLN A 90 2.784 -7.934 14.491 1.00 60.03 H new ATOM 0 HG3 GLN A 90 1.773 -6.650 15.123 1.00 60.03 H new ATOM 0 HE21 GLN A 90 0.795 -8.762 12.420 1.00 34.22 H new ATOM 0 HE22 GLN A 90 -0.453 -9.636 13.315 1.00 34.22 H new ATOM 1449 N ASP A 91 2.845 -4.737 10.688 1.00 63.33 N ATOM 1450 CA ASP A 91 2.882 -4.592 9.236 1.00 55.34 C ATOM 1451 C ASP A 91 4.284 -4.274 8.728 1.00 21.31 C ATOM 1452 O ASP A 91 4.699 -4.784 7.688 1.00 10.13 O ATOM 1453 CB ASP A 91 1.905 -3.526 8.758 1.00 34.44 C ATOM 1454 CG ASP A 91 1.939 -3.372 7.251 1.00 53.11 C ATOM 1455 OD1 ASP A 91 1.897 -4.398 6.544 1.00 5.35 O ATOM 1456 OD2 ASP A 91 2.027 -2.227 6.768 1.00 61.34 O ATOM 0 H ASP A 91 2.287 -4.035 11.174 1.00 63.33 H new ATOM 0 HA ASP A 91 2.581 -5.555 8.822 1.00 55.34 H new ATOM 0 HB2 ASP A 91 0.896 -3.789 9.075 1.00 34.44 H new ATOM 0 HB3 ASP A 91 2.148 -2.573 9.227 1.00 34.44 H new ATOM 1461 N LEU A 92 5.021 -3.443 9.460 1.00 5.52 N ATOM 1462 CA LEU A 92 6.386 -3.110 9.061 1.00 65.53 C ATOM 1463 C LEU A 92 7.248 -4.370 9.024 1.00 62.40 C ATOM 1464 O LEU A 92 8.123 -4.506 8.175 1.00 20.14 O ATOM 1465 CB LEU A 92 7.015 -2.051 9.982 1.00 42.42 C ATOM 1466 CG LEU A 92 7.471 -2.531 11.367 1.00 33.14 C ATOM 1467 CD1 LEU A 92 8.342 -1.477 12.028 1.00 1.24 C ATOM 1468 CD2 LEU A 92 6.280 -2.849 12.254 1.00 22.41 C ATOM 0 H LEU A 92 4.703 -2.994 10.319 1.00 5.52 H new ATOM 0 HA LEU A 92 6.340 -2.680 8.061 1.00 65.53 H new ATOM 0 HB2 LEU A 92 7.876 -1.621 9.470 1.00 42.42 H new ATOM 0 HB3 LEU A 92 6.292 -1.247 10.121 1.00 42.42 H new ATOM 0 HG LEU A 92 8.052 -3.443 11.233 1.00 33.14 H new ATOM 0 HD11 LEU A 92 8.659 -1.830 13.009 1.00 1.24 H new ATOM 0 HD12 LEU A 92 9.220 -1.290 11.409 1.00 1.24 H new ATOM 0 HD13 LEU A 92 7.774 -0.554 12.140 1.00 1.24 H new ATOM 0 HD21 LEU A 92 6.632 -3.187 13.229 1.00 22.41 H new ATOM 0 HD22 LEU A 92 5.670 -1.954 12.378 1.00 22.41 H new ATOM 0 HD23 LEU A 92 5.682 -3.635 11.792 1.00 22.41 H new ATOM 1480 N ARG A 93 6.975 -5.302 9.930 1.00 42.14 N ATOM 1481 CA ARG A 93 7.676 -6.578 9.943 1.00 14.21 C ATOM 1482 C ARG A 93 7.423 -7.311 8.636 1.00 71.11 C ATOM 1483 O ARG A 93 8.354 -7.666 7.916 1.00 55.51 O ATOM 1484 CB ARG A 93 7.202 -7.443 11.113 1.00 41.02 C ATOM 1485 CG ARG A 93 7.564 -6.898 12.483 1.00 23.12 C ATOM 1486 CD ARG A 93 6.900 -7.706 13.591 1.00 4.10 C ATOM 1487 NE ARG A 93 7.195 -9.139 13.498 1.00 21.54 N ATOM 1488 CZ ARG A 93 6.450 -10.090 14.063 1.00 75.31 C ATOM 1489 NH1 ARG A 93 5.384 -9.764 14.785 1.00 62.33 N ATOM 1490 NH2 ARG A 93 6.772 -11.370 13.918 1.00 63.34 N ATOM 0 H ARG A 93 6.274 -5.197 10.664 1.00 42.14 H new ATOM 0 HA ARG A 93 8.743 -6.387 10.059 1.00 14.21 H new ATOM 0 HB2 ARG A 93 6.119 -7.552 11.053 1.00 41.02 H new ATOM 0 HB3 ARG A 93 7.629 -8.440 11.008 1.00 41.02 H new ATOM 0 HG2 ARG A 93 8.646 -6.920 12.612 1.00 23.12 H new ATOM 0 HG3 ARG A 93 7.256 -5.855 12.555 1.00 23.12 H new ATOM 0 HD2 ARG A 93 7.234 -7.332 14.559 1.00 4.10 H new ATOM 0 HD3 ARG A 93 5.821 -7.557 13.547 1.00 4.10 H new ATOM 0 HE ARG A 93 8.019 -9.426 12.970 1.00 21.54 H new ATOM 0 HH11 ARG A 93 5.132 -8.783 14.909 1.00 62.33 H new ATOM 0 HH12 ARG A 93 4.817 -10.494 15.215 1.00 62.33 H new ATOM 0 HH21 ARG A 93 7.593 -11.631 13.372 1.00 63.34 H new ATOM 0 HH22 ARG A 93 6.198 -12.093 14.353 1.00 63.34 H new ATOM 1504 N GLU A 94 6.149 -7.494 8.329 1.00 21.34 N ATOM 1505 CA GLU A 94 5.731 -8.250 7.160 1.00 2.21 C ATOM 1506 C GLU A 94 6.166 -7.562 5.863 1.00 14.52 C ATOM 1507 O GLU A 94 6.941 -8.118 5.083 1.00 45.24 O ATOM 1508 CB GLU A 94 4.211 -8.412 7.168 1.00 72.34 C ATOM 1509 CG GLU A 94 3.633 -8.901 8.488 1.00 75.24 C ATOM 1510 CD GLU A 94 4.238 -10.208 8.954 1.00 72.53 C ATOM 1511 OE1 GLU A 94 3.790 -11.273 8.480 1.00 41.55 O ATOM 1512 OE2 GLU A 94 5.156 -10.177 9.800 1.00 1.13 O ATOM 0 H GLU A 94 5.377 -7.123 8.882 1.00 21.34 H new ATOM 0 HA GLU A 94 6.210 -9.228 7.203 1.00 2.21 H new ATOM 0 HB2 GLU A 94 3.755 -7.453 6.920 1.00 72.34 H new ATOM 0 HB3 GLU A 94 3.929 -9.112 6.381 1.00 72.34 H new ATOM 0 HG2 GLU A 94 3.794 -8.140 9.252 1.00 75.24 H new ATOM 0 HG3 GLU A 94 2.555 -9.024 8.382 1.00 75.24 H new ATOM 1519 N SER A 95 5.676 -6.343 5.652 1.00 21.40 N ATOM 1520 CA SER A 95 5.878 -5.622 4.396 1.00 64.43 C ATOM 1521 C SER A 95 7.358 -5.426 4.077 1.00 2.11 C ATOM 1522 O SER A 95 7.778 -5.543 2.926 1.00 60.42 O ATOM 1523 CB SER A 95 5.170 -4.265 4.448 1.00 24.11 C ATOM 1524 OG SER A 95 3.769 -4.425 4.573 1.00 41.32 O ATOM 0 H SER A 95 5.130 -5.828 6.343 1.00 21.40 H new ATOM 0 HA SER A 95 5.448 -6.229 3.599 1.00 64.43 H new ATOM 0 HB2 SER A 95 5.549 -3.686 5.290 1.00 24.11 H new ATOM 0 HB3 SER A 95 5.395 -3.699 3.544 1.00 24.11 H new ATOM 0 HG SER A 95 3.527 -4.461 5.522 1.00 41.32 H new ATOM 1530 N LEU A 96 8.152 -5.143 5.096 1.00 0.20 N ATOM 1531 CA LEU A 96 9.560 -4.860 4.888 1.00 11.33 C ATOM 1532 C LEU A 96 10.355 -6.140 4.639 1.00 60.52 C ATOM 1533 O LEU A 96 11.315 -6.134 3.864 1.00 30.33 O ATOM 1534 CB LEU A 96 10.130 -4.084 6.071 1.00 45.22 C ATOM 1535 CG LEU A 96 9.922 -2.559 6.031 1.00 20.31 C ATOM 1536 CD1 LEU A 96 10.492 -1.972 4.753 1.00 45.11 C ATOM 1537 CD2 LEU A 96 8.450 -2.196 6.163 1.00 50.01 C ATOM 0 H LEU A 96 7.848 -5.103 6.069 1.00 0.20 H new ATOM 0 HA LEU A 96 9.650 -4.241 3.995 1.00 11.33 H new ATOM 0 HB2 LEU A 96 9.680 -4.470 6.986 1.00 45.22 H new ATOM 0 HB3 LEU A 96 11.200 -4.285 6.132 1.00 45.22 H new ATOM 0 HG LEU A 96 10.454 -2.133 6.882 1.00 20.31 H new ATOM 0 HD11 LEU A 96 10.334 -0.894 4.746 1.00 45.11 H new ATOM 0 HD12 LEU A 96 11.560 -2.183 4.701 1.00 45.11 H new ATOM 0 HD13 LEU A 96 9.992 -2.418 3.893 1.00 45.11 H new ATOM 0 HD21 LEU A 96 8.338 -1.112 6.131 1.00 50.01 H new ATOM 0 HD22 LEU A 96 7.890 -2.643 5.342 1.00 50.01 H new ATOM 0 HD23 LEU A 96 8.066 -2.572 7.111 1.00 50.01 H new ATOM 1549 N ARG A 97 9.949 -7.238 5.276 1.00 61.12 N ATOM 1550 CA ARG A 97 10.581 -8.536 5.034 1.00 61.04 C ATOM 1551 C ARG A 97 10.271 -9.033 3.627 1.00 22.44 C ATOM 1552 O ARG A 97 11.043 -9.793 3.039 1.00 3.04 O ATOM 1553 CB ARG A 97 10.120 -9.578 6.055 1.00 25.41 C ATOM 1554 CG ARG A 97 10.805 -9.471 7.409 1.00 14.45 C ATOM 1555 CD ARG A 97 12.305 -9.694 7.297 1.00 53.02 C ATOM 1556 NE ARG A 97 12.627 -10.908 6.546 1.00 63.11 N ATOM 1557 CZ ARG A 97 13.309 -11.943 7.038 1.00 70.13 C ATOM 1558 NH1 ARG A 97 13.697 -11.948 8.311 1.00 73.11 N ATOM 1559 NH2 ARG A 97 13.593 -12.982 6.259 1.00 1.45 N ATOM 0 H ARG A 97 9.191 -7.256 5.959 1.00 61.12 H new ATOM 0 HA ARG A 97 11.657 -8.398 5.138 1.00 61.04 H new ATOM 0 HB2 ARG A 97 9.044 -9.480 6.196 1.00 25.41 H new ATOM 0 HB3 ARG A 97 10.299 -10.573 5.648 1.00 25.41 H new ATOM 0 HG2 ARG A 97 10.614 -8.487 7.837 1.00 14.45 H new ATOM 0 HG3 ARG A 97 10.378 -10.205 8.093 1.00 14.45 H new ATOM 0 HD2 ARG A 97 12.763 -8.834 6.809 1.00 53.02 H new ATOM 0 HD3 ARG A 97 12.737 -9.761 8.296 1.00 53.02 H new ATOM 0 HE ARG A 97 12.308 -10.967 5.579 1.00 63.11 H new ATOM 0 HH11 ARG A 97 13.473 -11.158 8.916 1.00 73.11 H new ATOM 0 HH12 ARG A 97 14.218 -12.742 8.682 1.00 73.11 H new ATOM 0 HH21 ARG A 97 13.289 -12.987 5.285 1.00 1.45 H new ATOM 0 HH22 ARG A 97 14.115 -13.774 6.635 1.00 1.45 H new ATOM 1573 N ALA A 98 9.135 -8.605 3.095 1.00 52.14 N ATOM 1574 CA ALA A 98 8.729 -8.976 1.747 1.00 21.10 C ATOM 1575 C ALA A 98 9.512 -8.184 0.705 1.00 71.20 C ATOM 1576 O ALA A 98 9.553 -8.552 -0.472 1.00 3.31 O ATOM 1577 CB ALA A 98 7.236 -8.752 1.573 1.00 72.30 C ATOM 0 H ALA A 98 8.475 -7.997 3.580 1.00 52.14 H new ATOM 0 HA ALA A 98 8.947 -10.034 1.600 1.00 21.10 H new ATOM 0 HB1 ALA A 98 6.941 -9.032 0.562 1.00 72.30 H new ATOM 0 HB2 ALA A 98 6.690 -9.363 2.292 1.00 72.30 H new ATOM 0 HB3 ALA A 98 7.004 -7.700 1.740 1.00 72.30 H new ATOM 1583 N ALA A 99 10.141 -7.101 1.144 1.00 3.50 N ATOM 1584 CA ALA A 99 10.913 -6.257 0.247 1.00 24.05 C ATOM 1585 C ALA A 99 12.390 -6.647 0.263 1.00 3.42 C ATOM 1586 O ALA A 99 12.907 -7.165 -0.729 1.00 35.34 O ATOM 1587 CB ALA A 99 10.742 -4.788 0.613 1.00 22.55 C ATOM 0 H ALA A 99 10.131 -6.788 2.115 1.00 3.50 H new ATOM 0 HA ALA A 99 10.536 -6.407 -0.765 1.00 24.05 H new ATOM 0 HB1 ALA A 99 11.328 -4.172 -0.070 1.00 22.55 H new ATOM 0 HB2 ALA A 99 9.690 -4.514 0.537 1.00 22.55 H new ATOM 0 HB3 ALA A 99 11.086 -4.625 1.634 1.00 22.55 H new ATOM 1593 N SER A 100 13.055 -6.379 1.390 1.00 22.51 N ATOM 1594 CA SER A 100 14.483 -6.682 1.582 1.00 75.22 C ATOM 1595 C SER A 100 15.408 -5.782 0.747 1.00 74.31 C ATOM 1596 O SER A 100 16.476 -5.392 1.216 1.00 42.21 O ATOM 1597 CB SER A 100 14.770 -8.159 1.294 1.00 70.42 C ATOM 1598 OG SER A 100 14.006 -8.995 2.147 1.00 44.21 O ATOM 0 H SER A 100 12.618 -5.943 2.202 1.00 22.51 H new ATOM 0 HA SER A 100 14.703 -6.472 2.629 1.00 75.22 H new ATOM 0 HB2 SER A 100 14.537 -8.383 0.253 1.00 70.42 H new ATOM 0 HB3 SER A 100 15.832 -8.362 1.434 1.00 70.42 H new ATOM 0 HG SER A 100 14.202 -9.934 1.946 1.00 44.21 H new ATOM 1604 N LEU A 101 14.995 -5.427 -0.469 1.00 64.15 N ATOM 1605 CA LEU A 101 15.827 -4.616 -1.368 1.00 61.31 C ATOM 1606 C LEU A 101 15.862 -3.142 -0.935 1.00 13.44 C ATOM 1607 O LEU A 101 16.060 -2.241 -1.759 1.00 0.45 O ATOM 1608 CB LEU A 101 15.330 -4.729 -2.822 1.00 73.23 C ATOM 1609 CG LEU A 101 14.067 -3.931 -3.184 1.00 61.31 C ATOM 1610 CD1 LEU A 101 13.888 -3.886 -4.692 1.00 40.31 C ATOM 1611 CD2 LEU A 101 12.828 -4.529 -2.536 1.00 43.24 C ATOM 0 H LEU A 101 14.089 -5.687 -0.858 1.00 64.15 H new ATOM 0 HA LEU A 101 16.843 -5.007 -1.309 1.00 61.31 H new ATOM 0 HB2 LEU A 101 16.136 -4.409 -3.483 1.00 73.23 H new ATOM 0 HB3 LEU A 101 15.141 -5.781 -3.036 1.00 73.23 H new ATOM 0 HG LEU A 101 14.194 -2.917 -2.804 1.00 61.31 H new ATOM 0 HD11 LEU A 101 12.990 -3.318 -4.935 1.00 40.31 H new ATOM 0 HD12 LEU A 101 14.755 -3.407 -5.147 1.00 40.31 H new ATOM 0 HD13 LEU A 101 13.791 -4.901 -5.077 1.00 40.31 H new ATOM 0 HD21 LEU A 101 11.953 -3.941 -2.812 1.00 43.24 H new ATOM 0 HD22 LEU A 101 12.698 -5.556 -2.878 1.00 43.24 H new ATOM 0 HD23 LEU A 101 12.944 -4.520 -1.452 1.00 43.24 H new ATOM 1623 N LEU A 102 15.731 -2.909 0.368 1.00 30.31 N ATOM 1624 CA LEU A 102 15.711 -1.558 0.927 1.00 22.45 C ATOM 1625 C LEU A 102 17.025 -0.838 0.658 1.00 55.40 C ATOM 1626 O LEU A 102 17.095 0.388 0.715 1.00 22.22 O ATOM 1627 CB LEU A 102 15.446 -1.612 2.430 1.00 42.23 C ATOM 1628 CG LEU A 102 14.159 -2.329 2.834 1.00 24.40 C ATOM 1629 CD1 LEU A 102 14.001 -2.322 4.345 1.00 72.01 C ATOM 1630 CD2 LEU A 102 12.955 -1.682 2.163 1.00 61.40 C ATOM 0 H LEU A 102 15.636 -3.648 1.065 1.00 30.31 H new ATOM 0 HA LEU A 102 14.908 -1.003 0.442 1.00 22.45 H new ATOM 0 HB2 LEU A 102 16.287 -2.108 2.914 1.00 42.23 H new ATOM 0 HB3 LEU A 102 15.412 -0.593 2.814 1.00 42.23 H new ATOM 0 HG LEU A 102 14.219 -3.365 2.500 1.00 24.40 H new ATOM 0 HD11 LEU A 102 13.079 -2.837 4.617 1.00 72.01 H new ATOM 0 HD12 LEU A 102 14.849 -2.831 4.802 1.00 72.01 H new ATOM 0 HD13 LEU A 102 13.961 -1.293 4.702 1.00 72.01 H new ATOM 0 HD21 LEU A 102 12.047 -2.205 2.462 1.00 61.40 H new ATOM 0 HD22 LEU A 102 12.888 -0.637 2.466 1.00 61.40 H new ATOM 0 HD23 LEU A 102 13.067 -1.740 1.080 1.00 61.40 H new ATOM 1642 N ASP A 103 18.053 -1.623 0.366 1.00 64.11 N ATOM 1643 CA ASP A 103 19.363 -1.106 -0.014 1.00 0.31 C ATOM 1644 C ASP A 103 19.269 -0.107 -1.166 1.00 72.21 C ATOM 1645 O ASP A 103 19.930 0.928 -1.159 1.00 73.20 O ATOM 1646 CB ASP A 103 20.265 -2.270 -0.429 1.00 12.34 C ATOM 1647 CG ASP A 103 21.506 -1.816 -1.173 1.00 50.52 C ATOM 1648 OD1 ASP A 103 22.497 -1.437 -0.511 1.00 63.43 O ATOM 1649 OD2 ASP A 103 21.497 -1.843 -2.425 1.00 13.44 O ATOM 0 H ASP A 103 18.003 -2.642 0.386 1.00 64.11 H new ATOM 0 HA ASP A 103 19.780 -0.586 0.848 1.00 0.31 H new ATOM 0 HB2 ASP A 103 20.563 -2.827 0.459 1.00 12.34 H new ATOM 0 HB3 ASP A 103 19.699 -2.955 -1.060 1.00 12.34 H new ATOM 1654 N LYS A 104 18.435 -0.421 -2.146 1.00 1.44 N ATOM 1655 CA LYS A 104 18.402 0.348 -3.381 1.00 32.23 C ATOM 1656 C LYS A 104 17.156 1.229 -3.477 1.00 2.25 C ATOM 1657 O LYS A 104 17.228 2.352 -3.972 1.00 70.41 O ATOM 1658 CB LYS A 104 18.493 -0.599 -4.579 1.00 52.11 C ATOM 1659 CG LYS A 104 17.372 -1.622 -4.636 1.00 63.21 C ATOM 1660 CD LYS A 104 17.789 -2.890 -5.367 1.00 41.24 C ATOM 1661 CE LYS A 104 18.695 -3.767 -4.509 1.00 42.11 C ATOM 1662 NZ LYS A 104 20.090 -3.253 -4.425 1.00 12.10 N ATOM 0 H LYS A 104 17.776 -1.198 -2.111 1.00 1.44 H new ATOM 0 HA LYS A 104 19.262 1.018 -3.384 1.00 32.23 H new ATOM 0 HB2 LYS A 104 18.483 -0.011 -5.497 1.00 52.11 H new ATOM 0 HB3 LYS A 104 19.449 -1.122 -4.545 1.00 52.11 H new ATOM 0 HG2 LYS A 104 17.061 -1.874 -3.622 1.00 63.21 H new ATOM 0 HG3 LYS A 104 16.508 -1.184 -5.135 1.00 63.21 H new ATOM 0 HD2 LYS A 104 16.901 -3.454 -5.652 1.00 41.24 H new ATOM 0 HD3 LYS A 104 18.307 -2.625 -6.289 1.00 41.24 H new ATOM 0 HE2 LYS A 104 18.278 -3.837 -3.504 1.00 42.11 H new ATOM 0 HE3 LYS A 104 18.709 -4.777 -4.920 1.00 42.11 H new ATOM 0 HZ1 LYS A 104 20.752 -4.053 -4.371 1.00 12.10 H new ATOM 0 HZ2 LYS A 104 20.302 -2.684 -5.270 1.00 12.10 H new ATOM 0 HZ3 LYS A 104 20.192 -2.662 -3.575 1.00 12.10 H new ATOM 1676 N ILE A 105 16.019 0.731 -2.998 1.00 71.34 N ATOM 1677 CA ILE A 105 14.780 1.497 -3.090 1.00 21.50 C ATOM 1678 C ILE A 105 14.647 2.484 -1.932 1.00 73.44 C ATOM 1679 O ILE A 105 13.874 3.440 -2.009 1.00 50.31 O ATOM 1680 CB ILE A 105 13.525 0.590 -3.197 1.00 2.31 C ATOM 1681 CG1 ILE A 105 13.519 -0.529 -2.150 1.00 2.45 C ATOM 1682 CG2 ILE A 105 13.434 -0.005 -4.591 1.00 21.33 C ATOM 1683 CD1 ILE A 105 13.112 -0.085 -0.767 1.00 61.34 C ATOM 0 H ILE A 105 15.930 -0.181 -2.551 1.00 71.34 H new ATOM 0 HA ILE A 105 14.838 2.067 -4.017 1.00 21.50 H new ATOM 0 HB ILE A 105 12.655 1.218 -3.003 1.00 2.31 H new ATOM 0 HG12 ILE A 105 12.841 -1.316 -2.480 1.00 2.45 H new ATOM 0 HG13 ILE A 105 14.515 -0.968 -2.099 1.00 2.45 H new ATOM 0 HG21 ILE A 105 12.551 -0.640 -4.658 1.00 21.33 H new ATOM 0 HG22 ILE A 105 13.361 0.797 -5.325 1.00 21.33 H new ATOM 0 HG23 ILE A 105 14.325 -0.600 -4.792 1.00 21.33 H new ATOM 0 HD11 ILE A 105 13.135 -0.938 -0.089 1.00 61.34 H new ATOM 0 HD12 ILE A 105 13.804 0.679 -0.412 1.00 61.34 H new ATOM 0 HD13 ILE A 105 12.103 0.326 -0.799 1.00 61.34 H new ATOM 1695 N GLY A 106 15.419 2.242 -0.872 1.00 22.42 N ATOM 1696 CA GLY A 106 15.494 3.172 0.249 1.00 21.22 C ATOM 1697 C GLY A 106 14.146 3.534 0.850 1.00 62.51 C ATOM 1698 O GLY A 106 13.445 2.678 1.390 1.00 42.51 O ATOM 0 H GLY A 106 16.000 1.410 -0.769 1.00 22.42 H new ATOM 0 HA2 GLY A 106 16.121 2.736 1.027 1.00 21.22 H new ATOM 0 HA3 GLY A 106 15.988 4.085 -0.083 1.00 21.22 H new ATOM 1702 N GLU A 107 13.779 4.807 0.723 1.00 42.30 N ATOM 1703 CA GLU A 107 12.563 5.353 1.337 1.00 35.55 C ATOM 1704 C GLU A 107 11.340 5.081 0.462 1.00 34.24 C ATOM 1705 O GLU A 107 10.391 5.861 0.433 1.00 31.41 O ATOM 1706 CB GLU A 107 12.734 6.859 1.544 1.00 63.41 C ATOM 1707 CG GLU A 107 14.010 7.221 2.285 1.00 35.10 C ATOM 1708 CD GLU A 107 14.232 8.714 2.387 1.00 0.55 C ATOM 1709 OE1 GLU A 107 14.402 9.367 1.336 1.00 31.45 O ATOM 1710 OE2 GLU A 107 14.266 9.241 3.519 1.00 20.15 O ATOM 0 H GLU A 107 14.315 5.493 0.191 1.00 42.30 H new ATOM 0 HA GLU A 107 12.406 4.865 2.299 1.00 35.55 H new ATOM 0 HB2 GLU A 107 12.732 7.355 0.573 1.00 63.41 H new ATOM 0 HB3 GLU A 107 11.878 7.242 2.099 1.00 63.41 H new ATOM 0 HG2 GLU A 107 13.974 6.795 3.288 1.00 35.10 H new ATOM 0 HG3 GLU A 107 14.860 6.767 1.776 1.00 35.10 H new ATOM 1717 N ASP A 108 11.385 3.951 -0.226 1.00 71.23 N ATOM 1718 CA ASP A 108 10.328 3.510 -1.132 1.00 23.31 C ATOM 1719 C ASP A 108 8.976 3.453 -0.420 1.00 15.43 C ATOM 1720 O ASP A 108 8.011 4.104 -0.816 1.00 74.31 O ATOM 1721 CB ASP A 108 10.703 2.119 -1.648 1.00 20.21 C ATOM 1722 CG ASP A 108 9.810 1.597 -2.750 1.00 23.21 C ATOM 1723 OD1 ASP A 108 10.101 1.881 -3.928 1.00 33.43 O ATOM 1724 OD2 ASP A 108 8.848 0.860 -2.439 1.00 31.40 O ATOM 0 H ASP A 108 12.169 3.301 -0.172 1.00 71.23 H new ATOM 0 HA ASP A 108 10.235 4.218 -1.955 1.00 23.31 H new ATOM 0 HB2 ASP A 108 11.730 2.145 -2.012 1.00 20.21 H new ATOM 0 HB3 ASP A 108 10.678 1.417 -0.814 1.00 20.21 H new ATOM 1729 N HIS A 109 8.933 2.688 0.655 1.00 32.42 N ATOM 1730 CA HIS A 109 7.701 2.460 1.396 1.00 32.21 C ATOM 1731 C HIS A 109 8.013 2.247 2.868 1.00 54.35 C ATOM 1732 O HIS A 109 8.747 1.323 3.218 1.00 42.14 O ATOM 1733 CB HIS A 109 6.924 1.262 0.814 1.00 50.43 C ATOM 1734 CG HIS A 109 7.723 0.006 0.565 1.00 62.14 C ATOM 1735 ND1 HIS A 109 7.133 -1.207 0.304 1.00 3.13 N ATOM 1736 CD2 HIS A 109 9.059 -0.214 0.486 1.00 51.20 C ATOM 1737 CE1 HIS A 109 8.063 -2.113 0.079 1.00 52.12 C ATOM 1738 NE2 HIS A 109 9.248 -1.538 0.181 1.00 61.22 N ATOM 0 H HIS A 109 9.746 2.208 1.040 1.00 32.42 H new ATOM 0 HA HIS A 109 7.066 3.341 1.301 1.00 32.21 H new ATOM 0 HB2 HIS A 109 6.108 1.020 1.495 1.00 50.43 H new ATOM 0 HB3 HIS A 109 6.471 1.572 -0.128 1.00 50.43 H new ATOM 0 HD1 HIS A 109 6.128 -1.380 0.287 1.00 3.13 H new ATOM 0 HD2 HIS A 109 9.835 0.522 0.636 1.00 51.20 H new ATOM 0 HE1 HIS A 109 7.886 -3.153 -0.151 1.00 52.12 H new ATOM 1747 N ILE A 110 7.468 3.104 3.732 1.00 52.03 N ATOM 1748 CA ILE A 110 7.844 3.068 5.142 1.00 31.21 C ATOM 1749 C ILE A 110 6.641 2.952 6.098 1.00 4.51 C ATOM 1750 O ILE A 110 6.305 1.853 6.523 1.00 43.14 O ATOM 1751 CB ILE A 110 8.795 4.248 5.565 1.00 52.53 C ATOM 1752 CG1 ILE A 110 8.155 5.656 5.484 1.00 42.40 C ATOM 1753 CG2 ILE A 110 10.067 4.221 4.734 1.00 62.31 C ATOM 1754 CD1 ILE A 110 7.632 6.058 4.118 1.00 44.15 C ATOM 0 H ILE A 110 6.780 3.816 3.487 1.00 52.03 H new ATOM 0 HA ILE A 110 8.416 2.146 5.243 1.00 31.21 H new ATOM 0 HB ILE A 110 9.014 4.076 6.619 1.00 52.53 H new ATOM 0 HG12 ILE A 110 7.332 5.704 6.197 1.00 42.40 H new ATOM 0 HG13 ILE A 110 8.895 6.391 5.801 1.00 42.40 H new ATOM 0 HG21 ILE A 110 10.717 5.042 5.036 1.00 62.31 H new ATOM 0 HG22 ILE A 110 10.583 3.274 4.890 1.00 62.31 H new ATOM 0 HG23 ILE A 110 9.815 4.327 3.679 1.00 62.31 H new ATOM 0 HD11 ILE A 110 7.205 7.059 4.172 1.00 44.15 H new ATOM 0 HD12 ILE A 110 8.451 6.051 3.398 1.00 44.15 H new ATOM 0 HD13 ILE A 110 6.864 5.353 3.801 1.00 44.15 H new ATOM 1766 N PHE A 111 5.955 4.047 6.393 1.00 64.34 N ATOM 1767 CA PHE A 111 5.066 4.077 7.544 1.00 40.43 C ATOM 1768 C PHE A 111 4.157 5.298 7.492 1.00 75.35 C ATOM 1769 O PHE A 111 4.342 6.170 6.642 1.00 71.53 O ATOM 1770 CB PHE A 111 5.913 4.102 8.825 1.00 40.31 C ATOM 1771 CG PHE A 111 5.193 3.635 10.056 1.00 51.13 C ATOM 1772 CD1 PHE A 111 5.001 2.284 10.287 1.00 35.43 C ATOM 1773 CD2 PHE A 111 4.721 4.544 10.988 1.00 54.45 C ATOM 1774 CE1 PHE A 111 4.348 1.848 11.420 1.00 64.41 C ATOM 1775 CE2 PHE A 111 4.065 4.114 12.123 1.00 4.13 C ATOM 1776 CZ PHE A 111 3.879 2.764 12.342 1.00 24.33 C ATOM 0 H PHE A 111 5.996 4.915 5.859 1.00 64.34 H new ATOM 0 HA PHE A 111 4.435 3.188 7.534 1.00 40.43 H new ATOM 0 HB2 PHE A 111 6.794 3.477 8.675 1.00 40.31 H new ATOM 0 HB3 PHE A 111 6.268 5.119 8.991 1.00 40.31 H new ATOM 0 HD1 PHE A 111 5.367 1.563 9.571 1.00 35.43 H new ATOM 0 HD2 PHE A 111 4.868 5.601 10.825 1.00 54.45 H new ATOM 0 HE1 PHE A 111 4.203 0.791 11.587 1.00 64.41 H new ATOM 0 HE2 PHE A 111 3.697 4.833 12.840 1.00 4.13 H new ATOM 0 HZ PHE A 111 3.368 2.425 13.231 1.00 24.33 H new ATOM 1786 N MET A 112 3.160 5.318 8.377 1.00 33.22 N ATOM 1787 CA MET A 112 2.243 6.453 8.553 1.00 4.44 C ATOM 1788 C MET A 112 2.961 7.802 8.435 1.00 60.31 C ATOM 1789 O MET A 112 3.726 8.187 9.318 1.00 43.33 O ATOM 1790 CB MET A 112 1.572 6.340 9.930 1.00 3.04 C ATOM 1791 CG MET A 112 0.707 7.532 10.339 1.00 3.23 C ATOM 1792 SD MET A 112 -0.927 7.540 9.568 1.00 53.52 S ATOM 1793 CE MET A 112 -0.555 8.188 7.944 1.00 11.14 C ATOM 0 H MET A 112 2.961 4.537 9.002 1.00 33.22 H new ATOM 0 HA MET A 112 1.498 6.414 7.758 1.00 4.44 H new ATOM 0 HB2 MET A 112 0.953 5.443 9.941 1.00 3.04 H new ATOM 0 HB3 MET A 112 2.348 6.201 10.683 1.00 3.04 H new ATOM 0 HG2 MET A 112 0.588 7.529 11.422 1.00 3.23 H new ATOM 0 HG3 MET A 112 1.227 8.454 10.078 1.00 3.23 H new ATOM 0 HE1 MET A 112 -1.454 8.165 7.328 1.00 11.14 H new ATOM 0 HE2 MET A 112 -0.203 9.216 8.034 1.00 11.14 H new ATOM 0 HE3 MET A 112 0.219 7.579 7.478 1.00 11.14 H new ATOM 1803 N THR A 113 2.700 8.507 7.332 1.00 41.13 N ATOM 1804 CA THR A 113 3.283 9.829 7.090 1.00 55.43 C ATOM 1805 C THR A 113 2.914 10.350 5.693 1.00 51.24 C ATOM 1806 O THR A 113 2.904 11.558 5.464 1.00 54.34 O ATOM 1807 CB THR A 113 4.829 9.828 7.242 1.00 25.52 C ATOM 1808 OG1 THR A 113 5.326 11.174 7.245 1.00 33.21 O ATOM 1809 CG2 THR A 113 5.504 9.047 6.118 1.00 53.43 C ATOM 0 H THR A 113 2.084 8.181 6.587 1.00 41.13 H new ATOM 0 HA THR A 113 2.864 10.490 7.848 1.00 55.43 H new ATOM 0 HB THR A 113 5.064 9.342 8.189 1.00 25.52 H new ATOM 0 HG1 THR A 113 6.301 11.162 7.343 1.00 33.21 H new ATOM 0 HG21 THR A 113 6.585 9.069 6.258 1.00 53.43 H new ATOM 0 HG22 THR A 113 5.157 8.014 6.133 1.00 53.43 H new ATOM 0 HG23 THR A 113 5.253 9.500 5.159 1.00 53.43 H new ATOM 1817 N LEU A 114 2.586 9.430 4.779 1.00 24.41 N ATOM 1818 CA LEU A 114 2.313 9.756 3.369 1.00 71.22 C ATOM 1819 C LEU A 114 1.432 11.005 3.166 1.00 71.30 C ATOM 1820 O LEU A 114 1.818 11.891 2.405 1.00 64.34 O ATOM 1821 CB LEU A 114 1.687 8.552 2.663 1.00 54.41 C ATOM 1822 CG LEU A 114 2.496 7.993 1.492 1.00 1.23 C ATOM 1823 CD1 LEU A 114 2.580 9.009 0.358 1.00 20.41 C ATOM 1824 CD2 LEU A 114 3.885 7.585 1.959 1.00 42.02 C ATOM 0 H LEU A 114 2.501 8.436 4.993 1.00 24.41 H new ATOM 0 HA LEU A 114 3.279 9.997 2.926 1.00 71.22 H new ATOM 0 HB2 LEU A 114 1.540 7.758 3.395 1.00 54.41 H new ATOM 0 HB3 LEU A 114 0.700 8.837 2.299 1.00 54.41 H new ATOM 0 HG LEU A 114 1.987 7.108 1.110 1.00 1.23 H new ATOM 0 HD11 LEU A 114 3.160 8.590 -0.464 1.00 20.41 H new ATOM 0 HD12 LEU A 114 1.576 9.248 0.008 1.00 20.41 H new ATOM 0 HD13 LEU A 114 3.064 9.917 0.718 1.00 20.41 H new ATOM 0 HD21 LEU A 114 4.451 7.189 1.116 1.00 42.02 H new ATOM 0 HD22 LEU A 114 4.402 8.454 2.366 1.00 42.02 H new ATOM 0 HD23 LEU A 114 3.799 6.819 2.730 1.00 42.02 H new ATOM 1836 N PRO A 115 0.244 11.101 3.811 1.00 30.42 N ATOM 1837 CA PRO A 115 -0.639 12.274 3.663 1.00 10.04 C ATOM 1838 C PRO A 115 0.083 13.594 3.943 1.00 21.32 C ATOM 1839 O PRO A 115 -0.120 14.586 3.244 1.00 61.11 O ATOM 1840 CB PRO A 115 -1.759 12.047 4.694 1.00 44.34 C ATOM 1841 CG PRO A 115 -1.282 10.941 5.572 1.00 62.24 C ATOM 1842 CD PRO A 115 -0.352 10.099 4.705 1.00 60.50 C ATOM 0 HA PRO A 115 -1.006 12.360 2.640 1.00 10.04 H new ATOM 0 HB2 PRO A 115 -1.948 12.952 5.272 1.00 44.34 H new ATOM 0 HB3 PRO A 115 -2.695 11.781 4.203 1.00 44.34 H new ATOM 0 HG2 PRO A 115 -0.758 11.332 6.444 1.00 62.24 H new ATOM 0 HG3 PRO A 115 -2.117 10.347 5.942 1.00 62.24 H new ATOM 0 HD2 PRO A 115 0.403 9.586 5.300 1.00 60.50 H new ATOM 0 HD3 PRO A 115 -0.896 9.334 4.151 1.00 60.50 H new ATOM 1850 N THR A 116 0.939 13.593 4.955 1.00 24.13 N ATOM 1851 CA THR A 116 1.712 14.775 5.299 1.00 4.22 C ATOM 1852 C THR A 116 2.911 14.923 4.365 1.00 24.54 C ATOM 1853 O THR A 116 3.268 16.034 3.970 1.00 72.35 O ATOM 1854 CB THR A 116 2.202 14.709 6.759 1.00 41.25 C ATOM 1855 OG1 THR A 116 1.084 14.514 7.638 1.00 11.42 O ATOM 1856 CG2 THR A 116 2.943 15.982 7.146 1.00 73.41 C ATOM 0 H THR A 116 1.115 12.785 5.552 1.00 24.13 H new ATOM 0 HA THR A 116 1.060 15.641 5.186 1.00 4.22 H new ATOM 0 HB THR A 116 2.891 13.870 6.850 1.00 41.25 H new ATOM 0 HG1 THR A 116 1.400 14.471 8.565 1.00 11.42 H new ATOM 0 HG21 THR A 116 3.277 15.908 8.181 1.00 73.41 H new ATOM 0 HG22 THR A 116 3.807 16.113 6.494 1.00 73.41 H new ATOM 0 HG23 THR A 116 2.276 16.838 7.041 1.00 73.41 H new ATOM 1864 N ALA A 117 3.506 13.790 4.004 1.00 1.33 N ATOM 1865 CA ALA A 117 4.679 13.765 3.141 1.00 14.33 C ATOM 1866 C ALA A 117 4.395 14.429 1.801 1.00 42.44 C ATOM 1867 O ALA A 117 5.086 15.368 1.418 1.00 53.20 O ATOM 1868 CB ALA A 117 5.156 12.334 2.936 1.00 71.04 C ATOM 0 H ALA A 117 3.189 12.867 4.301 1.00 1.33 H new ATOM 0 HA ALA A 117 5.469 14.332 3.633 1.00 14.33 H new ATOM 0 HB1 ALA A 117 6.033 12.332 2.289 1.00 71.04 H new ATOM 0 HB2 ALA A 117 5.415 11.895 3.900 1.00 71.04 H new ATOM 0 HB3 ALA A 117 4.362 11.749 2.472 1.00 71.04 H new ATOM 1874 N VAL A 118 3.369 13.954 1.097 1.00 0.33 N ATOM 1875 CA VAL A 118 3.034 14.509 -0.215 1.00 25.11 C ATOM 1876 C VAL A 118 2.721 15.999 -0.110 1.00 50.35 C ATOM 1877 O VAL A 118 3.130 16.789 -0.961 1.00 41.32 O ATOM 1878 CB VAL A 118 1.853 13.764 -0.882 1.00 30.34 C ATOM 1879 CG1 VAL A 118 2.249 12.336 -1.230 1.00 22.05 C ATOM 1880 CG2 VAL A 118 0.619 13.769 0.009 1.00 22.25 C ATOM 0 H VAL A 118 2.761 13.196 1.407 1.00 0.33 H new ATOM 0 HA VAL A 118 3.910 14.372 -0.848 1.00 25.11 H new ATOM 0 HB VAL A 118 1.605 14.293 -1.802 1.00 30.34 H new ATOM 0 HG11 VAL A 118 1.406 11.828 -1.698 1.00 22.05 H new ATOM 0 HG12 VAL A 118 3.092 12.350 -1.920 1.00 22.05 H new ATOM 0 HG13 VAL A 118 2.533 11.805 -0.321 1.00 22.05 H new ATOM 0 HG21 VAL A 118 -0.192 13.238 -0.489 1.00 22.25 H new ATOM 0 HG22 VAL A 118 0.850 13.276 0.953 1.00 22.25 H new ATOM 0 HG23 VAL A 118 0.314 14.797 0.202 1.00 22.25 H new ATOM 1890 N GLN A 119 2.024 16.377 0.955 1.00 0.43 N ATOM 1891 CA GLN A 119 1.708 17.773 1.230 1.00 13.51 C ATOM 1892 C GLN A 119 2.989 18.590 1.378 1.00 24.21 C ATOM 1893 O GLN A 119 3.139 19.660 0.785 1.00 14.55 O ATOM 1894 CB GLN A 119 0.887 17.861 2.516 1.00 70.00 C ATOM 1895 CG GLN A 119 0.539 19.281 2.928 1.00 3.12 C ATOM 1896 CD GLN A 119 0.555 19.488 4.433 1.00 11.12 C ATOM 1897 OE1 GLN A 119 -0.228 20.265 4.968 1.00 70.10 O ATOM 1898 NE2 GLN A 119 1.483 18.834 5.122 1.00 15.31 N ATOM 0 H GLN A 119 1.662 15.725 1.651 1.00 0.43 H new ATOM 0 HA GLN A 119 1.132 18.178 0.398 1.00 13.51 H new ATOM 0 HB2 GLN A 119 -0.035 17.294 2.386 1.00 70.00 H new ATOM 0 HB3 GLN A 119 1.443 17.385 3.324 1.00 70.00 H new ATOM 0 HG2 GLN A 119 1.245 19.970 2.465 1.00 3.12 H new ATOM 0 HG3 GLN A 119 -0.450 19.532 2.544 1.00 3.12 H new ATOM 0 HE21 GLN A 119 2.118 18.195 4.643 1.00 15.31 H new ATOM 0 HE22 GLN A 119 1.561 18.971 6.130 1.00 15.31 H new ATOM 1907 N ALA A 120 3.918 18.060 2.160 1.00 34.34 N ATOM 1908 CA ALA A 120 5.175 18.736 2.427 1.00 70.22 C ATOM 1909 C ALA A 120 6.058 18.765 1.189 1.00 2.00 C ATOM 1910 O ALA A 120 6.841 19.690 1.004 1.00 15.31 O ATOM 1911 CB ALA A 120 5.902 18.067 3.583 1.00 11.44 C ATOM 0 H ALA A 120 3.822 17.156 2.623 1.00 34.34 H new ATOM 0 HA ALA A 120 4.951 19.766 2.703 1.00 70.22 H new ATOM 0 HB1 ALA A 120 6.842 18.586 3.770 1.00 11.44 H new ATOM 0 HB2 ALA A 120 5.280 18.109 4.477 1.00 11.44 H new ATOM 0 HB3 ALA A 120 6.106 17.026 3.331 1.00 11.44 H new ATOM 1917 N PHE A 121 5.929 17.759 0.337 1.00 52.32 N ATOM 1918 CA PHE A 121 6.755 17.672 -0.860 1.00 2.32 C ATOM 1919 C PHE A 121 6.255 18.614 -1.950 1.00 42.51 C ATOM 1920 O PHE A 121 7.023 19.020 -2.822 1.00 33.15 O ATOM 1921 CB PHE A 121 6.800 16.234 -1.390 1.00 3.11 C ATOM 1922 CG PHE A 121 7.498 15.264 -0.469 1.00 42.41 C ATOM 1923 CD1 PHE A 121 8.422 15.713 0.467 1.00 21.11 C ATOM 1924 CD2 PHE A 121 7.229 13.908 -0.540 1.00 61.31 C ATOM 1925 CE1 PHE A 121 9.061 14.826 1.311 1.00 4.53 C ATOM 1926 CE2 PHE A 121 7.868 13.015 0.301 1.00 63.22 C ATOM 1927 CZ PHE A 121 8.785 13.474 1.227 1.00 70.31 C ATOM 0 H PHE A 121 5.264 16.994 0.450 1.00 52.32 H new ATOM 0 HA PHE A 121 7.764 17.976 -0.581 1.00 2.32 H new ATOM 0 HB2 PHE A 121 5.781 15.888 -1.561 1.00 3.11 H new ATOM 0 HB3 PHE A 121 7.304 16.229 -2.356 1.00 3.11 H new ATOM 0 HD1 PHE A 121 8.643 16.768 0.535 1.00 21.11 H new ATOM 0 HD2 PHE A 121 6.512 13.543 -1.260 1.00 61.31 H new ATOM 0 HE1 PHE A 121 9.775 15.188 2.036 1.00 4.53 H new ATOM 0 HE2 PHE A 121 7.650 11.959 0.234 1.00 63.22 H new ATOM 0 HZ PHE A 121 9.285 12.778 1.884 1.00 70.31 H new ATOM 1937 N ARG A 122 4.971 18.960 -1.900 1.00 33.00 N ATOM 1938 CA ARG A 122 4.387 19.866 -2.886 1.00 42.21 C ATOM 1939 C ARG A 122 5.006 21.257 -2.798 1.00 71.33 C ATOM 1940 O ARG A 122 5.710 21.691 -3.709 1.00 32.42 O ATOM 1941 CB ARG A 122 2.870 19.968 -2.707 1.00 64.42 C ATOM 1942 CG ARG A 122 2.104 18.703 -3.064 1.00 11.21 C ATOM 1943 CD ARG A 122 2.040 18.461 -4.569 1.00 15.24 C ATOM 1944 NE ARG A 122 3.328 18.070 -5.145 1.00 12.42 N ATOM 1945 CZ ARG A 122 3.509 16.984 -5.899 1.00 32.41 C ATOM 1946 NH1 ARG A 122 2.499 16.158 -6.136 1.00 61.43 N ATOM 1947 NH2 ARG A 122 4.704 16.731 -6.410 1.00 63.03 N ATOM 0 H ARG A 122 4.317 18.629 -1.191 1.00 33.00 H new ATOM 0 HA ARG A 122 4.602 19.450 -3.871 1.00 42.21 H new ATOM 0 HB2 ARG A 122 2.656 20.226 -1.670 1.00 64.42 H new ATOM 0 HB3 ARG A 122 2.499 20.788 -3.322 1.00 64.42 H new ATOM 0 HG2 ARG A 122 2.578 17.848 -2.582 1.00 11.21 H new ATOM 0 HG3 ARG A 122 1.091 18.772 -2.667 1.00 11.21 H new ATOM 0 HD2 ARG A 122 1.306 17.682 -4.774 1.00 15.24 H new ATOM 0 HD3 ARG A 122 1.689 19.368 -5.062 1.00 15.24 H new ATOM 0 HE ARG A 122 4.136 18.664 -4.959 1.00 12.42 H new ATOM 0 HH11 ARG A 122 1.579 16.351 -5.741 1.00 61.43 H new ATOM 0 HH12 ARG A 122 2.643 15.329 -6.713 1.00 61.43 H new ATOM 0 HH21 ARG A 122 5.482 17.365 -6.227 1.00 63.03 H new ATOM 0 HH22 ARG A 122 4.847 15.902 -6.987 1.00 63.03 H new ATOM 1961 N ARG A 123 4.754 21.950 -1.693 1.00 52.31 N ATOM 1962 CA ARG A 123 5.206 23.332 -1.550 1.00 73.11 C ATOM 1963 C ARG A 123 6.588 23.407 -0.902 1.00 24.24 C ATOM 1964 O ARG A 123 7.305 24.391 -1.079 1.00 41.31 O ATOM 1965 CB ARG A 123 4.196 24.159 -0.731 1.00 11.35 C ATOM 1966 CG ARG A 123 4.419 24.135 0.780 1.00 72.21 C ATOM 1967 CD ARG A 123 4.132 22.775 1.393 1.00 24.40 C ATOM 1968 NE ARG A 123 4.859 22.591 2.644 1.00 44.51 N ATOM 1969 CZ ARG A 123 4.373 21.963 3.707 1.00 72.13 C ATOM 1970 NH1 ARG A 123 3.113 21.544 3.725 1.00 24.23 N ATOM 1971 NH2 ARG A 123 5.143 21.775 4.770 1.00 13.31 N ATOM 0 H ARG A 123 4.244 21.583 -0.889 1.00 52.31 H new ATOM 0 HA ARG A 123 5.277 23.753 -2.553 1.00 73.11 H new ATOM 0 HB2 ARG A 123 4.234 25.193 -1.073 1.00 11.35 H new ATOM 0 HB3 ARG A 123 3.192 23.791 -0.941 1.00 11.35 H new ATOM 0 HG2 ARG A 123 5.450 24.416 0.996 1.00 72.21 H new ATOM 0 HG3 ARG A 123 3.780 24.883 1.249 1.00 72.21 H new ATOM 0 HD2 ARG A 123 3.062 22.674 1.574 1.00 24.40 H new ATOM 0 HD3 ARG A 123 4.411 21.991 0.689 1.00 24.40 H new ATOM 0 HE ARG A 123 5.804 22.970 2.706 1.00 44.51 H new ATOM 0 HH11 ARG A 123 2.511 21.704 2.918 1.00 24.23 H new ATOM 0 HH12 ARG A 123 2.748 21.062 4.546 1.00 24.23 H new ATOM 0 HH21 ARG A 123 6.105 22.113 4.769 1.00 13.31 H new ATOM 0 HH22 ARG A 123 4.773 21.293 5.589 1.00 13.31 H new ATOM 1985 N ARG A 124 6.951 22.349 -0.177 1.00 42.33 N ATOM 1986 CA ARG A 124 8.169 22.322 0.630 1.00 22.43 C ATOM 1987 C ARG A 124 8.183 23.454 1.656 1.00 20.04 C ATOM 1988 O ARG A 124 8.957 24.420 1.482 1.00 54.43 O ATOM 1989 CB ARG A 124 9.426 22.373 -0.244 1.00 1.24 C ATOM 1990 CG ARG A 124 9.740 21.055 -0.937 1.00 34.12 C ATOM 1991 CD ARG A 124 9.800 19.907 0.060 1.00 44.22 C ATOM 1992 NE ARG A 124 10.665 20.205 1.200 1.00 64.53 N ATOM 1993 CZ ARG A 124 10.273 20.118 2.473 1.00 62.34 C ATOM 1994 NH1 ARG A 124 9.025 19.780 2.764 1.00 33.52 N ATOM 1995 NH2 ARG A 124 11.115 20.397 3.456 1.00 2.41 N ATOM 0 H ARG A 124 6.408 21.487 -0.133 1.00 42.33 H new ATOM 0 HA ARG A 124 8.173 21.375 1.169 1.00 22.43 H new ATOM 0 HB2 ARG A 124 9.303 23.150 -0.998 1.00 1.24 H new ATOM 0 HB3 ARG A 124 10.277 22.661 0.374 1.00 1.24 H new ATOM 0 HG2 ARG A 124 8.979 20.847 -1.689 1.00 34.12 H new ATOM 0 HG3 ARG A 124 10.693 21.135 -1.461 1.00 34.12 H new ATOM 0 HD2 ARG A 124 8.794 19.687 0.418 1.00 44.22 H new ATOM 0 HD3 ARG A 124 10.162 19.011 -0.443 1.00 44.22 H new ATOM 0 HE ARG A 124 11.624 20.496 1.012 1.00 64.53 H new ATOM 0 HH11 ARG A 124 8.361 19.586 2.014 1.00 33.52 H new ATOM 0 HH12 ARG A 124 8.728 19.714 3.738 1.00 33.52 H new ATOM 0 HH21 ARG A 124 12.071 20.681 3.243 1.00 2.41 H new ATOM 0 HH22 ARG A 124 10.807 20.328 4.426 1.00 2.41 H new