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 95 SER OG : rot 62:sc= 1.85 USER MOD Set 1.2: A 109 HIS : no HE2:sc= -1.63! C(o=0.22!,f=-6!) USER MOD Set 2.1: A 85 MET CE :methyl -135:sc= -2.27 (180deg=-1.24) USER MOD Set 2.2: A 112 MET CE :methyl -158:sc= -0.596 (180deg=-0.923) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -3.2! C(o=-3.2!,f=-8!) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0682) USER MOD Single : A 19 TYR OH : rot -110:sc= -0.813 USER MOD Single : A 21 TYR OH : rot -25:sc= 0.321 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.503 USER MOD Single : A 29 ASN : amide:sc= 0.0711 K(o=0.071,f=-4.4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -3.39 K(o=-3.4,f=-0.61) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -2.41 K(o=-2.4,f=-4.9!) USER MOD Single : A 57 SER OG : rot 84:sc= 0.353 USER MOD Single : A 58 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.8!) USER MOD Single : A 64 THR OG1 : rot 108:sc= 0.622 USER MOD Single : A 71 GLN : amide:sc= -0.746 X(o=-0.75,f=-0.41) USER MOD Single : A 74 THR OG1 : rot 89:sc= 0.5 USER MOD Single : A 89 LYS NZ :NH3+ -168:sc= -0.0232 (180deg=-0.171) USER MOD Single : A 90 GLN : amide:sc= -0.829 K(o=-0.83,f=-0.18) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -129:sc= -0.968! (180deg=-4.14!) 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= -0.974 K(o=-0.97,f=0) USER MOD ----------------------------------------------------------------- ATOM 50 N ILE A 4 -14.726 -3.982 6.901 1.00 71.05 N ATOM 51 CA ILE A 4 -14.034 -3.500 5.695 1.00 21.34 C ATOM 52 C ILE A 4 -14.132 -1.975 5.573 1.00 63.03 C ATOM 53 O ILE A 4 -14.291 -1.274 6.574 1.00 50.21 O ATOM 54 CB ILE A 4 -14.527 -4.195 4.381 1.00 75.11 C ATOM 55 CG1 ILE A 4 -15.918 -3.720 3.936 1.00 31.14 C ATOM 56 CG2 ILE A 4 -14.534 -5.703 4.569 1.00 23.34 C ATOM 57 CD1 ILE A 4 -16.381 -4.324 2.625 1.00 31.22 C ATOM 0 HA ILE A 4 -12.987 -3.776 5.817 1.00 21.34 H new ATOM 0 HB ILE A 4 -13.829 -3.915 3.592 1.00 75.11 H new ATOM 0 HG12 ILE A 4 -16.641 -3.965 4.714 1.00 31.14 H new ATOM 0 HG13 ILE A 4 -15.908 -2.634 3.841 1.00 31.14 H new ATOM 0 HG21 ILE A 4 -14.878 -6.182 3.652 1.00 23.34 H new ATOM 0 HG22 ILE A 4 -13.526 -6.045 4.801 1.00 23.34 H new ATOM 0 HG23 ILE A 4 -15.204 -5.964 5.388 1.00 23.34 H new ATOM 0 HD11 ILE A 4 -17.371 -3.941 2.377 1.00 31.22 H new ATOM 0 HD12 ILE A 4 -15.680 -4.057 1.834 1.00 31.22 H new ATOM 0 HD13 ILE A 4 -16.425 -5.409 2.720 1.00 31.22 H new ATOM 69 N ASP A 5 -13.989 -1.457 4.361 1.00 52.34 N ATOM 70 CA ASP A 5 -14.131 -0.028 4.129 1.00 45.13 C ATOM 71 C ASP A 5 -14.763 0.208 2.762 1.00 74.20 C ATOM 72 O ASP A 5 -15.026 -0.741 2.018 1.00 33.11 O ATOM 73 CB ASP A 5 -12.769 0.675 4.214 1.00 40.14 C ATOM 74 CG ASP A 5 -12.871 2.114 4.701 1.00 4.34 C ATOM 75 OD1 ASP A 5 -13.809 2.831 4.295 1.00 23.25 O ATOM 76 OD2 ASP A 5 -12.013 2.531 5.507 1.00 40.13 O ATOM 0 H ASP A 5 -13.776 -2.003 3.527 1.00 52.34 H new ATOM 0 HA ASP A 5 -14.777 0.390 4.901 1.00 45.13 H new ATOM 0 HB2 ASP A 5 -12.119 0.115 4.886 1.00 40.14 H new ATOM 0 HB3 ASP A 5 -12.298 0.663 3.231 1.00 40.14 H new ATOM 81 N ASP A 6 -15.010 1.460 2.438 1.00 65.02 N ATOM 82 CA ASP A 6 -15.593 1.824 1.158 1.00 40.02 C ATOM 83 C ASP A 6 -14.611 2.705 0.403 1.00 22.34 C ATOM 84 O ASP A 6 -13.659 3.212 0.995 1.00 45.32 O ATOM 85 CB ASP A 6 -16.918 2.559 1.368 1.00 2.43 C ATOM 86 CG ASP A 6 -17.724 2.670 0.094 1.00 35.22 C ATOM 87 OD1 ASP A 6 -18.274 1.640 -0.344 1.00 64.04 O ATOM 88 OD2 ASP A 6 -17.793 3.774 -0.483 1.00 42.00 O ATOM 0 H ASP A 6 -14.814 2.253 3.049 1.00 65.02 H new ATOM 0 HA ASP A 6 -15.794 0.924 0.578 1.00 40.02 H new ATOM 0 HB2 ASP A 6 -17.506 2.035 2.122 1.00 2.43 H new ATOM 0 HB3 ASP A 6 -16.719 3.558 1.757 1.00 2.43 H new ATOM 93 N TYR A 7 -14.818 2.890 -0.889 1.00 42.34 N ATOM 94 CA TYR A 7 -13.923 3.734 -1.661 1.00 62.32 C ATOM 95 C TYR A 7 -14.665 4.914 -2.289 1.00 31.53 C ATOM 96 O TYR A 7 -15.072 4.869 -3.448 1.00 51.05 O ATOM 97 CB TYR A 7 -13.151 2.918 -2.717 1.00 53.32 C ATOM 98 CG TYR A 7 -14.004 2.091 -3.666 1.00 15.44 C ATOM 99 CD1 TYR A 7 -14.649 0.937 -3.235 1.00 62.44 C ATOM 100 CD2 TYR A 7 -14.147 2.460 -4.998 1.00 71.51 C ATOM 101 CE1 TYR A 7 -15.413 0.179 -4.103 1.00 75.30 C ATOM 102 CE2 TYR A 7 -14.907 1.707 -5.872 1.00 64.42 C ATOM 103 CZ TYR A 7 -15.538 0.569 -5.420 1.00 51.33 C ATOM 104 OH TYR A 7 -16.293 -0.186 -6.289 1.00 71.01 O ATOM 0 H TYR A 7 -15.585 2.475 -1.419 1.00 42.34 H new ATOM 0 HA TYR A 7 -13.188 4.148 -0.971 1.00 62.32 H new ATOM 0 HB2 TYR A 7 -12.545 3.605 -3.308 1.00 53.32 H new ATOM 0 HB3 TYR A 7 -12.463 2.249 -2.200 1.00 53.32 H new ATOM 0 HD1 TYR A 7 -14.552 0.628 -2.205 1.00 62.44 H new ATOM 0 HD2 TYR A 7 -13.655 3.352 -5.357 1.00 71.51 H new ATOM 0 HE1 TYR A 7 -15.909 -0.714 -3.752 1.00 75.30 H new ATOM 0 HE2 TYR A 7 -15.006 2.009 -6.904 1.00 64.42 H new ATOM 0 HH TYR A 7 -16.279 0.227 -7.178 1.00 71.01 H new ATOM 114 N PRO A 8 -14.889 5.983 -1.505 1.00 40.53 N ATOM 115 CA PRO A 8 -15.493 7.209 -2.012 1.00 62.00 C ATOM 116 C PRO A 8 -14.449 8.145 -2.623 1.00 60.52 C ATOM 117 O PRO A 8 -14.768 8.992 -3.458 1.00 32.14 O ATOM 118 CB PRO A 8 -16.121 7.831 -0.762 1.00 45.40 C ATOM 119 CG PRO A 8 -15.249 7.394 0.367 1.00 75.42 C ATOM 120 CD PRO A 8 -14.601 6.071 -0.059 1.00 14.43 C ATOM 0 HA PRO A 8 -16.211 7.024 -2.811 1.00 62.00 H new ATOM 0 HB2 PRO A 8 -16.155 8.918 -0.837 1.00 45.40 H new ATOM 0 HB3 PRO A 8 -17.147 7.489 -0.624 1.00 45.40 H new ATOM 0 HG2 PRO A 8 -14.489 8.145 0.581 1.00 75.42 H new ATOM 0 HG3 PRO A 8 -15.833 7.263 1.278 1.00 75.42 H new ATOM 0 HD2 PRO A 8 -13.528 6.071 0.135 1.00 14.43 H new ATOM 0 HD3 PRO A 8 -15.024 5.226 0.485 1.00 14.43 H new ATOM 128 N GLN A 9 -13.195 7.978 -2.210 1.00 25.41 N ATOM 129 CA GLN A 9 -12.114 8.815 -2.711 1.00 41.13 C ATOM 130 C GLN A 9 -11.660 8.326 -4.072 1.00 3.13 C ATOM 131 O GLN A 9 -11.434 7.128 -4.267 1.00 52.41 O ATOM 132 CB GLN A 9 -10.926 8.834 -1.741 1.00 24.42 C ATOM 133 CG GLN A 9 -9.784 9.740 -2.199 1.00 61.34 C ATOM 134 CD GLN A 9 -8.574 8.994 -2.751 1.00 31.50 C ATOM 135 OE1 GLN A 9 -7.455 9.489 -2.682 1.00 42.44 O ATOM 136 NE2 GLN A 9 -8.784 7.808 -3.301 1.00 20.41 N ATOM 0 H GLN A 9 -12.905 7.273 -1.532 1.00 25.41 H new ATOM 0 HA GLN A 9 -12.495 9.832 -2.801 1.00 41.13 H new ATOM 0 HB2 GLN A 9 -11.271 9.164 -0.761 1.00 24.42 H new ATOM 0 HB3 GLN A 9 -10.549 7.819 -1.620 1.00 24.42 H new ATOM 0 HG2 GLN A 9 -10.159 10.418 -2.966 1.00 61.34 H new ATOM 0 HG3 GLN A 9 -9.464 10.355 -1.358 1.00 61.34 H new ATOM 0 HE21 GLN A 9 -9.728 7.425 -3.342 1.00 20.41 H new ATOM 0 HE22 GLN A 9 -8.001 7.277 -3.683 1.00 20.41 H new ATOM 145 N ALA A 10 -11.499 9.255 -4.991 1.00 61.13 N ATOM 146 CA ALA A 10 -11.043 8.944 -6.328 1.00 30.51 C ATOM 147 C ALA A 10 -10.206 10.090 -6.865 1.00 71.23 C ATOM 148 O ALA A 10 -10.518 10.678 -7.899 1.00 64.42 O ATOM 149 CB ALA A 10 -12.222 8.655 -7.244 1.00 11.32 C ATOM 0 H ALA A 10 -11.681 10.246 -4.832 1.00 61.13 H new ATOM 0 HA ALA A 10 -10.424 8.048 -6.291 1.00 30.51 H new ATOM 0 HB1 ALA A 10 -11.857 8.423 -8.245 1.00 11.32 H new ATOM 0 HB2 ALA A 10 -12.784 7.805 -6.857 1.00 11.32 H new ATOM 0 HB3 ALA A 10 -12.871 9.529 -7.288 1.00 11.32 H new ATOM 155 N LYS A 11 -9.157 10.426 -6.129 1.00 51.51 N ATOM 156 CA LYS A 11 -8.218 11.437 -6.566 1.00 45.24 C ATOM 157 C LYS A 11 -7.411 10.901 -7.733 1.00 60.42 C ATOM 158 O LYS A 11 -7.357 9.690 -7.949 1.00 62.33 O ATOM 159 CB LYS A 11 -7.326 11.861 -5.401 1.00 70.30 C ATOM 160 CG LYS A 11 -7.997 12.863 -4.475 1.00 14.25 C ATOM 161 CD LYS A 11 -7.239 13.028 -3.166 1.00 65.23 C ATOM 162 CE LYS A 11 -7.717 14.245 -2.381 1.00 74.10 C ATOM 163 NZ LYS A 11 -9.195 14.265 -2.196 1.00 44.11 N ATOM 0 H LYS A 11 -8.938 10.009 -5.224 1.00 51.51 H new ATOM 0 HA LYS A 11 -8.753 12.324 -6.904 1.00 45.24 H new ATOM 0 HB2 LYS A 11 -7.042 10.978 -4.828 1.00 70.30 H new ATOM 0 HB3 LYS A 11 -6.407 12.296 -5.794 1.00 70.30 H new ATOM 0 HG2 LYS A 11 -8.068 13.828 -4.976 1.00 14.25 H new ATOM 0 HG3 LYS A 11 -9.016 12.537 -4.265 1.00 14.25 H new ATOM 0 HD2 LYS A 11 -7.365 12.132 -2.558 1.00 65.23 H new ATOM 0 HD3 LYS A 11 -6.173 13.126 -3.373 1.00 65.23 H new ATOM 0 HE2 LYS A 11 -7.232 14.256 -1.405 1.00 74.10 H new ATOM 0 HE3 LYS A 11 -7.408 15.152 -2.900 1.00 74.10 H new ATOM 0 HZ1 LYS A 11 -9.455 15.045 -1.559 1.00 44.11 H new ATOM 0 HZ2 LYS A 11 -9.658 14.402 -3.117 1.00 44.11 H new ATOM 0 HZ3 LYS A 11 -9.505 13.362 -1.783 1.00 44.11 H new ATOM 177 N ARG A 12 -6.811 11.790 -8.497 1.00 2.23 N ATOM 178 CA ARG A 12 -6.100 11.388 -9.695 1.00 61.20 C ATOM 179 C ARG A 12 -5.259 12.533 -10.218 1.00 13.14 C ATOM 180 O ARG A 12 -5.594 13.696 -10.004 1.00 22.33 O ATOM 181 CB ARG A 12 -7.097 10.920 -10.759 1.00 42.24 C ATOM 182 CG ARG A 12 -8.105 11.987 -11.151 1.00 15.30 C ATOM 183 CD ARG A 12 -9.416 11.380 -11.624 1.00 12.25 C ATOM 184 NE ARG A 12 -9.231 10.415 -12.705 1.00 43.12 N ATOM 185 CZ ARG A 12 -9.551 10.653 -13.978 1.00 40.21 C ATOM 186 NH1 ARG A 12 -9.986 11.853 -14.348 1.00 12.24 N ATOM 187 NH2 ARG A 12 -9.422 9.695 -14.887 1.00 13.42 N ATOM 0 H ARG A 12 -6.801 12.793 -8.312 1.00 2.23 H new ATOM 0 HA ARG A 12 -5.434 10.560 -9.452 1.00 61.20 H new ATOM 0 HB2 ARG A 12 -6.549 10.605 -11.647 1.00 42.24 H new ATOM 0 HB3 ARG A 12 -7.631 10.045 -10.387 1.00 42.24 H new ATOM 0 HG2 ARG A 12 -8.293 12.639 -10.298 1.00 15.30 H new ATOM 0 HG3 ARG A 12 -7.686 12.609 -11.942 1.00 15.30 H new ATOM 0 HD2 ARG A 12 -9.909 10.889 -10.785 1.00 12.25 H new ATOM 0 HD3 ARG A 12 -10.079 12.176 -11.962 1.00 12.25 H new ATOM 0 HE ARG A 12 -8.833 9.505 -12.473 1.00 43.12 H new ATOM 0 HH11 ARG A 12 -10.077 12.598 -13.657 1.00 12.24 H new ATOM 0 HH12 ARG A 12 -10.229 12.029 -15.323 1.00 12.24 H new ATOM 0 HH21 ARG A 12 -9.078 8.775 -14.613 1.00 13.42 H new ATOM 0 HH22 ARG A 12 -9.667 9.879 -15.860 1.00 13.42 H new ATOM 201 N VAL A 13 -4.181 12.177 -10.904 1.00 14.12 N ATOM 202 CA VAL A 13 -3.214 13.123 -11.457 1.00 3.23 C ATOM 203 C VAL A 13 -2.295 13.708 -10.347 1.00 43.22 C ATOM 204 O VAL A 13 -1.272 13.084 -10.066 1.00 50.02 O ATOM 205 CB VAL A 13 -3.879 14.201 -12.356 1.00 5.14 C ATOM 206 CG1 VAL A 13 -2.832 15.106 -12.988 1.00 11.52 C ATOM 207 CG2 VAL A 13 -4.729 13.543 -13.437 1.00 54.53 C ATOM 0 H VAL A 13 -3.947 11.203 -11.097 1.00 14.12 H new ATOM 0 HA VAL A 13 -2.560 12.569 -12.130 1.00 3.23 H new ATOM 0 HB VAL A 13 -4.524 14.814 -11.726 1.00 5.14 H new ATOM 0 HG11 VAL A 13 -3.325 15.852 -13.612 1.00 11.52 H new ATOM 0 HG12 VAL A 13 -2.263 15.607 -12.205 1.00 11.52 H new ATOM 0 HG13 VAL A 13 -2.157 14.509 -13.601 1.00 11.52 H new ATOM 0 HG21 VAL A 13 -5.188 14.313 -14.058 1.00 54.53 H new ATOM 0 HG22 VAL A 13 -4.099 12.904 -14.057 1.00 54.53 H new ATOM 0 HG23 VAL A 13 -5.509 12.941 -12.971 1.00 54.53 H new ATOM 217 N PRO A 14 -2.588 14.861 -9.666 1.00 53.05 N ATOM 218 CA PRO A 14 -1.721 15.334 -8.587 1.00 63.31 C ATOM 219 C PRO A 14 -2.137 14.812 -7.207 1.00 3.11 C ATOM 220 O PRO A 14 -2.689 15.555 -6.386 1.00 22.13 O ATOM 221 CB PRO A 14 -1.882 16.848 -8.663 1.00 1.00 C ATOM 222 CG PRO A 14 -3.300 17.052 -9.069 1.00 42.20 C ATOM 223 CD PRO A 14 -3.699 15.816 -9.887 1.00 34.12 C ATOM 0 HA PRO A 14 -0.695 14.986 -8.706 1.00 63.31 H new ATOM 0 HB2 PRO A 14 -1.673 17.318 -7.702 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -1.195 17.284 -9.388 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -3.942 17.163 -8.195 1.00 42.20 H new ATOM 0 HG3 PRO A 14 -3.407 17.961 -9.661 1.00 42.20 H new ATOM 0 HD2 PRO A 14 -4.651 15.405 -9.550 1.00 34.12 H new ATOM 0 HD3 PRO A 14 -3.813 16.057 -10.944 1.00 34.12 H new ATOM 231 N GLY A 15 -1.899 13.531 -6.965 1.00 55.21 N ATOM 232 CA GLY A 15 -2.092 12.988 -5.635 1.00 22.21 C ATOM 233 C GLY A 15 -3.381 12.207 -5.462 1.00 51.44 C ATOM 234 O GLY A 15 -4.447 12.789 -5.285 1.00 13.31 O ATOM 0 H GLY A 15 -1.577 12.860 -7.662 1.00 55.21 H new ATOM 0 HA2 GLY A 15 -1.251 12.337 -5.395 1.00 22.21 H new ATOM 0 HA3 GLY A 15 -2.077 13.806 -4.915 1.00 22.21 H new ATOM 238 N LEU A 16 -3.272 10.888 -5.525 1.00 73.23 N ATOM 239 CA LEU A 16 -4.353 9.982 -5.163 1.00 53.30 C ATOM 240 C LEU A 16 -3.822 8.945 -4.186 1.00 12.01 C ATOM 241 O LEU A 16 -2.608 8.775 -4.051 1.00 30.11 O ATOM 242 CB LEU A 16 -4.923 9.270 -6.388 1.00 53.35 C ATOM 243 CG LEU A 16 -3.922 8.455 -7.200 1.00 41.34 C ATOM 244 CD1 LEU A 16 -4.549 7.157 -7.671 1.00 61.41 C ATOM 245 CD2 LEU A 16 -3.415 9.259 -8.384 1.00 73.42 C ATOM 0 H LEU A 16 -2.423 10.412 -5.831 1.00 73.23 H new ATOM 0 HA LEU A 16 -5.152 10.567 -4.709 1.00 53.30 H new ATOM 0 HB2 LEU A 16 -5.724 8.607 -6.061 1.00 53.35 H new ATOM 0 HB3 LEU A 16 -5.374 10.016 -7.043 1.00 53.35 H new ATOM 0 HG LEU A 16 -3.075 8.215 -6.558 1.00 41.34 H new ATOM 0 HD11 LEU A 16 -3.820 6.589 -8.249 1.00 61.41 H new ATOM 0 HD12 LEU A 16 -4.864 6.571 -6.808 1.00 61.41 H new ATOM 0 HD13 LEU A 16 -5.415 7.377 -8.296 1.00 61.41 H new ATOM 0 HD21 LEU A 16 -2.702 8.661 -8.951 1.00 73.42 H new ATOM 0 HD22 LEU A 16 -4.253 9.530 -9.026 1.00 73.42 H new ATOM 0 HD23 LEU A 16 -2.925 10.165 -8.026 1.00 73.42 H new ATOM 257 N VAL A 17 -4.709 8.240 -3.511 1.00 12.01 N ATOM 258 CA VAL A 17 -4.269 7.203 -2.598 1.00 40.13 C ATOM 259 C VAL A 17 -5.144 5.962 -2.708 1.00 54.13 C ATOM 260 O VAL A 17 -6.367 6.052 -2.842 1.00 30.25 O ATOM 261 CB VAL A 17 -4.229 7.701 -1.133 1.00 60.31 C ATOM 262 CG1 VAL A 17 -5.611 8.091 -0.634 1.00 4.14 C ATOM 263 CG2 VAL A 17 -3.604 6.650 -0.233 1.00 22.54 C ATOM 0 H VAL A 17 -5.720 8.362 -3.575 1.00 12.01 H new ATOM 0 HA VAL A 17 -3.253 6.939 -2.890 1.00 40.13 H new ATOM 0 HB VAL A 17 -3.610 8.597 -1.103 1.00 60.31 H new ATOM 0 HG11 VAL A 17 -5.542 8.435 0.398 1.00 4.14 H new ATOM 0 HG12 VAL A 17 -6.011 8.891 -1.257 1.00 4.14 H new ATOM 0 HG13 VAL A 17 -6.273 7.227 -0.684 1.00 4.14 H new ATOM 0 HG21 VAL A 17 -3.583 7.016 0.794 1.00 22.54 H new ATOM 0 HG22 VAL A 17 -4.193 5.734 -0.280 1.00 22.54 H new ATOM 0 HG23 VAL A 17 -2.586 6.445 -0.566 1.00 22.54 H new ATOM 273 N VAL A 18 -4.502 4.805 -2.685 1.00 14.33 N ATOM 274 CA VAL A 18 -5.212 3.543 -2.648 1.00 44.24 C ATOM 275 C VAL A 18 -5.119 2.958 -1.251 1.00 43.11 C ATOM 276 O VAL A 18 -4.076 2.459 -0.828 1.00 62.43 O ATOM 277 CB VAL A 18 -4.674 2.535 -3.687 1.00 61.11 C ATOM 278 CG1 VAL A 18 -5.428 1.215 -3.598 1.00 64.43 C ATOM 279 CG2 VAL A 18 -4.779 3.113 -5.091 1.00 31.41 C ATOM 0 H VAL A 18 -3.486 4.717 -2.691 1.00 14.33 H new ATOM 0 HA VAL A 18 -6.253 3.736 -2.905 1.00 44.24 H new ATOM 0 HB VAL A 18 -3.624 2.344 -3.467 1.00 61.11 H new ATOM 0 HG11 VAL A 18 -5.033 0.520 -4.339 1.00 64.43 H new ATOM 0 HG12 VAL A 18 -5.305 0.792 -2.601 1.00 64.43 H new ATOM 0 HG13 VAL A 18 -6.487 1.387 -3.791 1.00 64.43 H new ATOM 0 HG21 VAL A 18 -4.396 2.390 -5.812 1.00 31.41 H new ATOM 0 HG22 VAL A 18 -5.822 3.332 -5.317 1.00 31.41 H new ATOM 0 HG23 VAL A 18 -4.194 4.031 -5.151 1.00 31.41 H new ATOM 289 N TYR A 19 -6.213 3.060 -0.531 1.00 50.24 N ATOM 290 CA TYR A 19 -6.258 2.653 0.855 1.00 34.35 C ATOM 291 C TYR A 19 -6.723 1.213 0.992 1.00 41.34 C ATOM 292 O TYR A 19 -7.459 0.700 0.152 1.00 72.44 O ATOM 293 CB TYR A 19 -7.169 3.593 1.650 1.00 23.34 C ATOM 294 CG TYR A 19 -8.335 4.133 0.844 1.00 12.50 C ATOM 295 CD1 TYR A 19 -9.528 3.427 0.738 1.00 11.51 C ATOM 296 CD2 TYR A 19 -8.231 5.347 0.175 1.00 23.32 C ATOM 297 CE1 TYR A 19 -10.583 3.919 -0.009 1.00 63.34 C ATOM 298 CE2 TYR A 19 -9.280 5.844 -0.573 1.00 62.02 C ATOM 299 CZ TYR A 19 -10.453 5.125 -0.664 1.00 41.25 C ATOM 300 OH TYR A 19 -11.499 5.617 -1.415 1.00 42.11 O ATOM 0 H TYR A 19 -7.095 3.427 -0.889 1.00 50.24 H new ATOM 0 HA TYR A 19 -5.248 2.714 1.261 1.00 34.35 H new ATOM 0 HB2 TYR A 19 -7.555 3.062 2.520 1.00 23.34 H new ATOM 0 HB3 TYR A 19 -6.578 4.429 2.023 1.00 23.34 H new ATOM 0 HD1 TYR A 19 -9.633 2.480 1.247 1.00 11.51 H new ATOM 0 HD2 TYR A 19 -7.313 5.912 0.241 1.00 23.32 H new ATOM 0 HE1 TYR A 19 -11.505 3.361 -0.079 1.00 63.34 H new ATOM 0 HE2 TYR A 19 -9.182 6.791 -1.084 1.00 62.02 H new ATOM 0 HH TYR A 19 -11.267 5.576 -2.366 1.00 42.11 H new ATOM 310 N ARG A 20 -6.255 0.573 2.053 1.00 30.31 N ATOM 311 CA ARG A 20 -6.645 -0.793 2.390 1.00 3.25 C ATOM 312 C ARG A 20 -8.153 -0.959 2.545 1.00 22.30 C ATOM 313 O ARG A 20 -8.880 -0.007 2.835 1.00 43.33 O ATOM 314 CB ARG A 20 -5.968 -1.244 3.699 1.00 72.32 C ATOM 315 CG ARG A 20 -5.658 -0.118 4.689 1.00 12.01 C ATOM 316 CD ARG A 20 -6.839 0.819 4.930 1.00 10.14 C ATOM 317 NE ARG A 20 -7.825 0.298 5.875 1.00 64.54 N ATOM 318 CZ ARG A 20 -9.018 0.867 6.081 1.00 24.41 C ATOM 319 NH1 ARG A 20 -9.449 1.828 5.274 1.00 24.51 N ATOM 320 NH2 ARG A 20 -9.790 0.457 7.080 1.00 63.11 N ATOM 0 H ARG A 20 -5.591 0.986 2.709 1.00 30.31 H new ATOM 0 HA ARG A 20 -6.317 -1.412 1.555 1.00 3.25 H new ATOM 0 HB2 ARG A 20 -6.612 -1.973 4.191 1.00 72.32 H new ATOM 0 HB3 ARG A 20 -5.038 -1.756 3.452 1.00 72.32 H new ATOM 0 HG2 ARG A 20 -5.350 -0.554 5.639 1.00 12.01 H new ATOM 0 HG3 ARG A 20 -4.814 0.462 4.316 1.00 12.01 H new ATOM 0 HD2 ARG A 20 -6.464 1.773 5.301 1.00 10.14 H new ATOM 0 HD3 ARG A 20 -7.332 1.018 3.979 1.00 10.14 H new ATOM 0 HE ARG A 20 -7.592 -0.542 6.404 1.00 64.54 H new ATOM 0 HH11 ARG A 20 -8.870 2.136 4.493 1.00 24.51 H new ATOM 0 HH12 ARG A 20 -10.359 2.259 5.435 1.00 24.51 H new ATOM 0 HH21 ARG A 20 -9.474 -0.294 7.693 1.00 63.11 H new ATOM 0 HH22 ARG A 20 -10.699 0.893 7.234 1.00 63.11 H new ATOM 334 N TYR A 21 -8.597 -2.181 2.333 1.00 22.20 N ATOM 335 CA TYR A 21 -9.919 -2.609 2.740 1.00 22.45 C ATOM 336 C TYR A 21 -9.735 -3.605 3.871 1.00 10.50 C ATOM 337 O TYR A 21 -9.322 -4.737 3.630 1.00 52.02 O ATOM 338 CB TYR A 21 -10.673 -3.266 1.579 1.00 75.13 C ATOM 339 CG TYR A 21 -10.840 -2.374 0.367 1.00 24.05 C ATOM 340 CD1 TYR A 21 -11.900 -1.480 0.276 1.00 14.25 C ATOM 341 CD2 TYR A 21 -9.940 -2.433 -0.692 1.00 33.24 C ATOM 342 CE1 TYR A 21 -12.056 -0.669 -0.833 1.00 43.52 C ATOM 343 CE2 TYR A 21 -10.089 -1.627 -1.802 1.00 4.33 C ATOM 344 CZ TYR A 21 -11.149 -0.747 -1.868 1.00 24.52 C ATOM 345 OH TYR A 21 -11.301 0.056 -2.974 1.00 12.50 O ATOM 0 H TYR A 21 -8.049 -2.907 1.872 1.00 22.20 H new ATOM 0 HA TYR A 21 -10.509 -1.750 3.060 1.00 22.45 H new ATOM 0 HB2 TYR A 21 -10.143 -4.170 1.281 1.00 75.13 H new ATOM 0 HB3 TYR A 21 -11.658 -3.575 1.928 1.00 75.13 H new ATOM 0 HD1 TYR A 21 -12.613 -1.418 1.084 1.00 14.25 H new ATOM 0 HD2 TYR A 21 -9.110 -3.122 -0.645 1.00 33.24 H new ATOM 0 HE1 TYR A 21 -12.884 0.022 -0.888 1.00 43.52 H new ATOM 0 HE2 TYR A 21 -9.380 -1.685 -2.614 1.00 4.33 H new ATOM 0 HH TYR A 21 -12.245 0.301 -3.073 1.00 12.50 H new ATOM 355 N ASP A 22 -9.983 -3.169 5.100 1.00 3.34 N ATOM 356 CA ASP A 22 -9.675 -3.988 6.270 1.00 24.35 C ATOM 357 C ASP A 22 -10.568 -5.217 6.353 1.00 40.04 C ATOM 358 O ASP A 22 -11.635 -5.196 6.969 1.00 40.43 O ATOM 359 CB ASP A 22 -9.765 -3.180 7.572 1.00 72.13 C ATOM 360 CG ASP A 22 -8.622 -2.192 7.740 1.00 41.34 C ATOM 361 OD1 ASP A 22 -7.665 -2.222 6.939 1.00 30.42 O ATOM 362 OD2 ASP A 22 -8.692 -1.353 8.663 1.00 10.13 O ATOM 0 H ASP A 22 -10.393 -2.260 5.314 1.00 3.34 H new ATOM 0 HA ASP A 22 -8.645 -4.324 6.147 1.00 24.35 H new ATOM 0 HB2 ASP A 22 -10.711 -2.639 7.592 1.00 72.13 H new ATOM 0 HB3 ASP A 22 -9.772 -3.866 8.419 1.00 72.13 H new ATOM 367 N ALA A 23 -10.118 -6.277 5.705 1.00 74.22 N ATOM 368 CA ALA A 23 -10.771 -7.567 5.764 1.00 73.23 C ATOM 369 C ALA A 23 -9.754 -8.674 5.570 1.00 13.22 C ATOM 370 O ALA A 23 -8.933 -8.601 4.665 1.00 45.31 O ATOM 371 CB ALA A 23 -11.838 -7.666 4.698 1.00 4.30 C ATOM 0 H ALA A 23 -9.283 -6.264 5.120 1.00 74.22 H new ATOM 0 HA ALA A 23 -11.237 -7.674 6.743 1.00 73.23 H new ATOM 0 HB1 ALA A 23 -12.320 -8.642 4.755 1.00 4.30 H new ATOM 0 HB2 ALA A 23 -12.582 -6.884 4.854 1.00 4.30 H new ATOM 0 HB3 ALA A 23 -11.383 -7.543 3.715 1.00 4.30 H new ATOM 377 N PRO A 24 -9.773 -9.693 6.430 1.00 42.50 N ATOM 378 CA PRO A 24 -8.843 -10.823 6.339 1.00 21.12 C ATOM 379 C PRO A 24 -8.982 -11.605 5.039 1.00 51.24 C ATOM 380 O PRO A 24 -9.908 -12.398 4.873 1.00 11.11 O ATOM 381 CB PRO A 24 -9.215 -11.707 7.536 1.00 53.13 C ATOM 382 CG PRO A 24 -9.899 -10.785 8.474 1.00 4.12 C ATOM 383 CD PRO A 24 -10.674 -9.821 7.585 1.00 32.12 C ATOM 0 HA PRO A 24 -7.808 -10.482 6.351 1.00 21.12 H new ATOM 0 HB2 PRO A 24 -9.868 -12.527 7.237 1.00 53.13 H new ATOM 0 HB3 PRO A 24 -8.331 -12.153 7.991 1.00 53.13 H new ATOM 0 HG2 PRO A 24 -10.566 -11.327 9.144 1.00 4.12 H new ATOM 0 HG3 PRO A 24 -9.181 -10.255 9.100 1.00 4.12 H new ATOM 0 HD2 PRO A 24 -11.649 -10.218 7.302 1.00 32.12 H new ATOM 0 HD3 PRO A 24 -10.850 -8.863 8.075 1.00 32.12 H new ATOM 391 N LEU A 25 -8.072 -11.352 4.107 1.00 71.33 N ATOM 392 CA LEU A 25 -7.982 -12.166 2.908 1.00 1.34 C ATOM 393 C LEU A 25 -6.745 -13.046 2.979 1.00 31.43 C ATOM 394 O LEU A 25 -6.581 -13.975 2.181 1.00 2.34 O ATOM 395 CB LEU A 25 -8.026 -11.334 1.591 1.00 55.33 C ATOM 396 CG LEU A 25 -7.007 -10.179 1.365 1.00 71.20 C ATOM 397 CD1 LEU A 25 -7.308 -8.969 2.233 1.00 3.44 C ATOM 398 CD2 LEU A 25 -5.567 -10.625 1.568 1.00 40.12 C ATOM 0 H LEU A 25 -7.391 -10.594 4.160 1.00 71.33 H new ATOM 0 HA LEU A 25 -8.869 -12.798 2.874 1.00 1.34 H new ATOM 0 HB2 LEU A 25 -7.913 -12.033 0.762 1.00 55.33 H new ATOM 0 HB3 LEU A 25 -9.025 -10.905 1.512 1.00 55.33 H new ATOM 0 HG LEU A 25 -7.122 -9.886 0.321 1.00 71.20 H new ATOM 0 HD11 LEU A 25 -6.570 -8.190 2.040 1.00 3.44 H new ATOM 0 HD12 LEU A 25 -8.304 -8.592 1.999 1.00 3.44 H new ATOM 0 HD13 LEU A 25 -7.266 -9.256 3.284 1.00 3.44 H new ATOM 0 HD21 LEU A 25 -4.898 -9.782 1.398 1.00 40.12 H new ATOM 0 HD22 LEU A 25 -5.439 -10.990 2.587 1.00 40.12 H new ATOM 0 HD23 LEU A 25 -5.331 -11.423 0.864 1.00 40.12 H new ATOM 410 N CYS A 26 -5.882 -12.731 3.953 1.00 23.35 N ATOM 411 CA CYS A 26 -4.645 -13.471 4.199 1.00 43.21 C ATOM 412 C CYS A 26 -3.691 -13.353 3.013 1.00 64.52 C ATOM 413 O CYS A 26 -2.724 -12.591 3.064 1.00 24.04 O ATOM 414 CB CYS A 26 -4.944 -14.941 4.507 1.00 3.11 C ATOM 415 SG CYS A 26 -6.067 -15.188 5.901 1.00 1.24 S ATOM 0 H CYS A 26 -6.026 -11.951 4.594 1.00 23.35 H new ATOM 0 HA CYS A 26 -4.158 -13.031 5.069 1.00 43.21 H new ATOM 0 HB2 CYS A 26 -5.374 -15.407 3.620 1.00 3.11 H new ATOM 0 HB3 CYS A 26 -4.006 -15.456 4.714 1.00 3.11 H new ATOM 0 HG CYS A 26 -6.260 -16.461 6.082 1.00 1.24 H new ATOM 421 N PHE A 27 -3.971 -14.113 1.958 1.00 22.11 N ATOM 422 CA PHE A 27 -3.197 -14.055 0.723 1.00 22.34 C ATOM 423 C PHE A 27 -3.814 -14.949 -0.351 1.00 32.14 C ATOM 424 O PHE A 27 -3.249 -15.088 -1.434 1.00 23.12 O ATOM 425 CB PHE A 27 -1.743 -14.472 0.963 1.00 24.25 C ATOM 426 CG PHE A 27 -1.575 -15.904 1.404 1.00 42.14 C ATOM 427 CD1 PHE A 27 -1.803 -16.272 2.725 1.00 43.21 C ATOM 428 CD2 PHE A 27 -1.194 -16.881 0.500 1.00 54.41 C ATOM 429 CE1 PHE A 27 -1.653 -17.586 3.128 1.00 23.23 C ATOM 430 CE2 PHE A 27 -1.042 -18.196 0.898 1.00 71.33 C ATOM 431 CZ PHE A 27 -1.271 -18.548 2.214 1.00 11.02 C ATOM 0 H PHE A 27 -4.739 -14.784 1.935 1.00 22.11 H new ATOM 0 HA PHE A 27 -3.214 -13.021 0.377 1.00 22.34 H new ATOM 0 HB2 PHE A 27 -1.176 -14.318 0.045 1.00 24.25 H new ATOM 0 HB3 PHE A 27 -1.309 -13.818 1.719 1.00 24.25 H new ATOM 0 HD1 PHE A 27 -2.101 -15.523 3.444 1.00 43.21 H new ATOM 0 HD2 PHE A 27 -1.013 -16.612 -0.530 1.00 54.41 H new ATOM 0 HE1 PHE A 27 -1.834 -17.860 4.157 1.00 23.23 H new ATOM 0 HE2 PHE A 27 -0.745 -18.947 0.181 1.00 71.33 H new ATOM 0 HZ PHE A 27 -1.151 -19.574 2.528 1.00 11.02 H new ATOM 441 N ALA A 28 -4.990 -15.511 -0.054 1.00 54.43 N ATOM 442 CA ALA A 28 -5.615 -16.525 -0.911 1.00 40.22 C ATOM 443 C ALA A 28 -5.656 -16.093 -2.370 1.00 75.30 C ATOM 444 O ALA A 28 -5.240 -16.833 -3.260 1.00 33.14 O ATOM 445 CB ALA A 28 -7.022 -16.832 -0.415 1.00 74.41 C ATOM 0 H ALA A 28 -5.532 -15.279 0.779 1.00 54.43 H new ATOM 0 HA ALA A 28 -5.004 -17.426 -0.854 1.00 40.22 H new ATOM 0 HB1 ALA A 28 -7.478 -17.586 -1.057 1.00 74.41 H new ATOM 0 HB2 ALA A 28 -6.974 -17.208 0.607 1.00 74.41 H new ATOM 0 HB3 ALA A 28 -7.623 -15.923 -0.439 1.00 74.41 H new ATOM 451 N ASN A 29 -6.149 -14.894 -2.607 1.00 23.34 N ATOM 452 CA ASN A 29 -6.193 -14.340 -3.951 1.00 23.52 C ATOM 453 C ASN A 29 -5.433 -13.022 -3.996 1.00 25.01 C ATOM 454 O ASN A 29 -5.439 -12.330 -5.008 1.00 44.43 O ATOM 455 CB ASN A 29 -7.648 -14.116 -4.385 1.00 11.13 C ATOM 456 CG ASN A 29 -8.355 -13.048 -3.560 1.00 53.23 C ATOM 457 OD1 ASN A 29 -8.027 -12.822 -2.392 1.00 20.43 O ATOM 458 ND2 ASN A 29 -9.340 -12.395 -4.156 1.00 74.54 N ATOM 0 H ASN A 29 -6.527 -14.280 -1.885 1.00 23.34 H new ATOM 0 HA ASN A 29 -5.724 -15.047 -4.636 1.00 23.52 H new ATOM 0 HB2 ASN A 29 -7.668 -13.828 -5.436 1.00 11.13 H new ATOM 0 HB3 ASN A 29 -8.196 -15.055 -4.301 1.00 11.13 H new ATOM 0 HD21 ASN A 29 -9.857 -11.677 -3.648 1.00 74.54 H new ATOM 0 HD22 ASN A 29 -9.582 -12.610 -5.123 1.00 74.54 H new ATOM 465 N ALA A 30 -4.728 -12.724 -2.906 1.00 24.24 N ATOM 466 CA ALA A 30 -4.177 -11.389 -2.665 1.00 65.44 C ATOM 467 C ALA A 30 -3.101 -10.989 -3.664 1.00 24.21 C ATOM 468 O ALA A 30 -2.749 -9.819 -3.752 1.00 42.43 O ATOM 469 CB ALA A 30 -3.621 -11.299 -1.260 1.00 21.11 C ATOM 0 H ALA A 30 -4.523 -13.397 -2.167 1.00 24.24 H new ATOM 0 HA ALA A 30 -5.004 -10.691 -2.792 1.00 65.44 H new ATOM 0 HB1 ALA A 30 -3.214 -10.302 -1.093 1.00 21.11 H new ATOM 0 HB2 ALA A 30 -4.417 -11.491 -0.541 1.00 21.11 H new ATOM 0 HB3 ALA A 30 -2.831 -12.039 -1.133 1.00 21.11 H new ATOM 475 N GLU A 31 -2.576 -11.948 -4.400 1.00 32.30 N ATOM 476 CA GLU A 31 -1.558 -11.665 -5.400 1.00 33.54 C ATOM 477 C GLU A 31 -2.185 -10.876 -6.549 1.00 64.30 C ATOM 478 O GLU A 31 -2.004 -9.646 -6.683 1.00 34.45 O ATOM 479 CB GLU A 31 -0.970 -12.994 -5.899 1.00 23.43 C ATOM 480 CG GLU A 31 0.353 -12.877 -6.639 1.00 23.50 C ATOM 481 CD GLU A 31 0.236 -12.254 -8.014 1.00 30.10 C ATOM 482 OE1 GLU A 31 -0.066 -12.990 -8.980 1.00 51.42 O ATOM 483 OE2 GLU A 31 0.469 -11.037 -8.142 1.00 71.31 O ATOM 0 H GLU A 31 -2.836 -12.932 -4.327 1.00 32.30 H new ATOM 0 HA GLU A 31 -0.755 -11.066 -4.971 1.00 33.54 H new ATOM 0 HB2 GLU A 31 -0.833 -13.656 -5.044 1.00 23.43 H new ATOM 0 HB3 GLU A 31 -1.696 -13.470 -6.558 1.00 23.43 H new ATOM 0 HG2 GLU A 31 1.042 -12.282 -6.039 1.00 23.50 H new ATOM 0 HG3 GLU A 31 0.792 -13.870 -6.737 1.00 23.50 H new ATOM 490 N ASP A 32 -2.970 -11.585 -7.344 1.00 43.14 N ATOM 491 CA ASP A 32 -3.646 -10.992 -8.474 1.00 11.23 C ATOM 492 C ASP A 32 -4.649 -9.956 -8.000 1.00 1.44 C ATOM 493 O ASP A 32 -4.768 -8.898 -8.600 1.00 21.03 O ATOM 494 CB ASP A 32 -4.337 -12.069 -9.307 1.00 0.01 C ATOM 495 CG ASP A 32 -5.232 -11.483 -10.384 1.00 54.24 C ATOM 496 OD1 ASP A 32 -4.718 -11.076 -11.444 1.00 31.31 O ATOM 497 OD2 ASP A 32 -6.463 -11.429 -10.174 1.00 4.25 O ATOM 0 H ASP A 32 -3.152 -12.581 -7.221 1.00 43.14 H new ATOM 0 HA ASP A 32 -2.907 -10.496 -9.103 1.00 11.23 H new ATOM 0 HB2 ASP A 32 -3.583 -12.705 -9.771 1.00 0.01 H new ATOM 0 HB3 ASP A 32 -4.931 -12.706 -8.652 1.00 0.01 H new ATOM 502 N PHE A 33 -5.340 -10.252 -6.898 1.00 73.43 N ATOM 503 CA PHE A 33 -6.296 -9.310 -6.317 1.00 65.42 C ATOM 504 C PHE A 33 -5.643 -7.955 -6.075 1.00 4.31 C ATOM 505 O PHE A 33 -6.201 -6.920 -6.448 1.00 63.43 O ATOM 506 CB PHE A 33 -6.874 -9.854 -4.999 1.00 2.20 C ATOM 507 CG PHE A 33 -7.266 -8.781 -4.021 1.00 32.22 C ATOM 508 CD1 PHE A 33 -8.398 -8.012 -4.236 1.00 63.14 C ATOM 509 CD2 PHE A 33 -6.478 -8.518 -2.908 1.00 31.45 C ATOM 510 CE1 PHE A 33 -8.743 -7.006 -3.359 1.00 3.40 C ATOM 511 CE2 PHE A 33 -6.817 -7.507 -2.032 1.00 73.34 C ATOM 512 CZ PHE A 33 -7.952 -6.750 -2.258 1.00 44.01 C ATOM 0 H PHE A 33 -5.256 -11.134 -6.392 1.00 73.43 H new ATOM 0 HA PHE A 33 -7.111 -9.185 -7.030 1.00 65.42 H new ATOM 0 HB2 PHE A 33 -7.748 -10.467 -5.221 1.00 2.20 H new ATOM 0 HB3 PHE A 33 -6.137 -10.507 -4.532 1.00 2.20 H new ATOM 0 HD1 PHE A 33 -9.017 -8.203 -5.100 1.00 63.14 H new ATOM 0 HD2 PHE A 33 -5.593 -9.109 -2.727 1.00 31.45 H new ATOM 0 HE1 PHE A 33 -9.632 -6.418 -3.534 1.00 3.40 H new ATOM 0 HE2 PHE A 33 -6.197 -7.307 -1.171 1.00 73.34 H new ATOM 0 HZ PHE A 33 -8.219 -5.959 -1.573 1.00 44.01 H new ATOM 522 N ARG A 34 -4.461 -7.971 -5.462 1.00 14.35 N ATOM 523 CA ARG A 34 -3.774 -6.738 -5.121 1.00 30.54 C ATOM 524 C ARG A 34 -3.537 -5.908 -6.361 1.00 11.04 C ATOM 525 O ARG A 34 -4.033 -4.787 -6.470 1.00 30.23 O ATOM 526 CB ARG A 34 -2.427 -7.003 -4.455 1.00 2.03 C ATOM 527 CG ARG A 34 -1.698 -5.725 -4.081 1.00 3.54 C ATOM 528 CD ARG A 34 -2.162 -5.189 -2.737 1.00 4.52 C ATOM 529 NE ARG A 34 -1.651 -6.000 -1.629 1.00 30.43 N ATOM 530 CZ ARG A 34 -2.066 -5.906 -0.364 1.00 32.35 C ATOM 531 NH1 ARG A 34 -3.052 -5.080 -0.031 1.00 4.12 N ATOM 532 NH2 ARG A 34 -1.491 -6.645 0.569 1.00 40.35 N ATOM 0 H ARG A 34 -3.966 -8.822 -5.195 1.00 14.35 H new ATOM 0 HA ARG A 34 -4.415 -6.202 -4.421 1.00 30.54 H new ATOM 0 HB2 ARG A 34 -2.581 -7.604 -3.559 1.00 2.03 H new ATOM 0 HB3 ARG A 34 -1.802 -7.589 -5.129 1.00 2.03 H new ATOM 0 HG2 ARG A 34 -0.625 -5.914 -4.047 1.00 3.54 H new ATOM 0 HG3 ARG A 34 -1.865 -4.972 -4.851 1.00 3.54 H new ATOM 0 HD2 ARG A 34 -1.826 -4.159 -2.620 1.00 4.52 H new ATOM 0 HD3 ARG A 34 -3.251 -5.175 -2.706 1.00 4.52 H new ATOM 0 HE ARG A 34 -0.926 -6.686 -1.840 1.00 30.43 H new ATOM 0 HH11 ARG A 34 -3.502 -4.508 -0.746 1.00 4.12 H new ATOM 0 HH12 ARG A 34 -3.359 -5.018 0.940 1.00 4.12 H new ATOM 0 HH21 ARG A 34 -0.735 -7.283 0.320 1.00 40.35 H new ATOM 0 HH22 ARG A 34 -1.804 -6.578 1.538 1.00 40.35 H new ATOM 546 N ARG A 35 -2.793 -6.462 -7.307 1.00 43.12 N ATOM 547 CA ARG A 35 -2.417 -5.685 -8.475 1.00 53.45 C ATOM 548 C ARG A 35 -3.595 -5.462 -9.408 1.00 72.51 C ATOM 549 O ARG A 35 -3.617 -4.478 -10.125 1.00 10.34 O ATOM 550 CB ARG A 35 -1.236 -6.300 -9.227 1.00 13.30 C ATOM 551 CG ARG A 35 -1.367 -7.778 -9.527 1.00 42.20 C ATOM 552 CD ARG A 35 -0.211 -8.246 -10.390 1.00 11.50 C ATOM 553 NE ARG A 35 -0.072 -9.696 -10.376 1.00 24.24 N ATOM 554 CZ ARG A 35 0.223 -10.430 -11.444 1.00 43.13 C ATOM 555 NH1 ARG A 35 0.425 -9.852 -12.625 1.00 31.41 N ATOM 556 NH2 ARG A 35 0.339 -11.743 -11.327 1.00 34.02 N ATOM 0 H ARG A 35 -2.446 -7.421 -7.291 1.00 43.12 H new ATOM 0 HA ARG A 35 -2.095 -4.712 -8.104 1.00 53.45 H new ATOM 0 HB2 ARG A 35 -1.105 -5.764 -10.167 1.00 13.30 H new ATOM 0 HB3 ARG A 35 -0.330 -6.143 -8.641 1.00 13.30 H new ATOM 0 HG2 ARG A 35 -1.387 -8.344 -8.596 1.00 42.20 H new ATOM 0 HG3 ARG A 35 -2.311 -7.970 -10.037 1.00 42.20 H new ATOM 0 HD2 ARG A 35 -0.363 -7.906 -11.415 1.00 11.50 H new ATOM 0 HD3 ARG A 35 0.714 -7.790 -10.036 1.00 11.50 H new ATOM 0 HE ARG A 35 -0.210 -10.180 -9.489 1.00 24.24 H new ATOM 0 HH11 ARG A 35 0.354 -8.839 -12.716 1.00 31.41 H new ATOM 0 HH12 ARG A 35 0.651 -10.422 -13.440 1.00 31.41 H new ATOM 0 HH21 ARG A 35 0.202 -12.188 -10.420 1.00 34.02 H new ATOM 0 HH22 ARG A 35 0.565 -12.310 -12.144 1.00 34.02 H new ATOM 570 N ARG A 36 -4.584 -6.347 -9.385 1.00 73.01 N ATOM 571 CA ARG A 36 -5.755 -6.191 -10.243 1.00 14.53 C ATOM 572 C ARG A 36 -6.511 -4.917 -9.879 1.00 15.31 C ATOM 573 O ARG A 36 -6.616 -3.996 -10.693 1.00 45.22 O ATOM 574 CB ARG A 36 -6.689 -7.403 -10.122 1.00 5.13 C ATOM 575 CG ARG A 36 -7.767 -7.467 -11.193 1.00 4.42 C ATOM 576 CD ARG A 36 -7.166 -7.565 -12.587 1.00 53.45 C ATOM 577 NE ARG A 36 -6.236 -8.690 -12.712 1.00 12.21 N ATOM 578 CZ ARG A 36 -5.666 -9.064 -13.857 1.00 52.23 C ATOM 579 NH1 ARG A 36 -5.966 -8.451 -14.999 1.00 21.32 N ATOM 580 NH2 ARG A 36 -4.808 -10.071 -13.865 1.00 23.42 N ATOM 0 H ARG A 36 -4.601 -7.174 -8.788 1.00 73.01 H new ATOM 0 HA ARG A 36 -5.411 -6.121 -11.275 1.00 14.53 H new ATOM 0 HB2 ARG A 36 -6.092 -8.314 -10.168 1.00 5.13 H new ATOM 0 HB3 ARG A 36 -7.166 -7.384 -9.142 1.00 5.13 H new ATOM 0 HG2 ARG A 36 -8.410 -8.328 -11.012 1.00 4.42 H new ATOM 0 HG3 ARG A 36 -8.397 -6.580 -11.129 1.00 4.42 H new ATOM 0 HD2 ARG A 36 -7.966 -7.675 -13.319 1.00 53.45 H new ATOM 0 HD3 ARG A 36 -6.644 -6.637 -12.822 1.00 53.45 H new ATOM 0 HE ARG A 36 -6.011 -9.220 -11.870 1.00 12.21 H new ATOM 0 HH11 ARG A 36 -6.639 -7.685 -15.005 1.00 21.32 H new ATOM 0 HH12 ARG A 36 -5.523 -8.747 -15.869 1.00 21.32 H new ATOM 0 HH21 ARG A 36 -4.585 -10.558 -12.997 1.00 23.42 H new ATOM 0 HH22 ARG A 36 -4.370 -10.360 -14.739 1.00 23.42 H new ATOM 594 N ALA A 37 -7.002 -4.856 -8.642 1.00 52.05 N ATOM 595 CA ALA A 37 -7.757 -3.701 -8.178 1.00 11.12 C ATOM 596 C ALA A 37 -6.912 -2.439 -8.284 1.00 72.44 C ATOM 597 O ALA A 37 -7.355 -1.420 -8.816 1.00 14.34 O ATOM 598 CB ALA A 37 -8.229 -3.913 -6.746 1.00 23.45 C ATOM 0 H ALA A 37 -6.889 -5.594 -7.947 1.00 52.05 H new ATOM 0 HA ALA A 37 -8.635 -3.582 -8.813 1.00 11.12 H new ATOM 0 HB1 ALA A 37 -8.792 -3.040 -6.415 1.00 23.45 H new ATOM 0 HB2 ALA A 37 -8.868 -4.795 -6.700 1.00 23.45 H new ATOM 0 HB3 ALA A 37 -7.366 -4.056 -6.096 1.00 23.45 H new ATOM 604 N LEU A 38 -5.680 -2.533 -7.806 1.00 22.51 N ATOM 605 CA LEU A 38 -4.750 -1.414 -7.838 1.00 1.13 C ATOM 606 C LEU A 38 -4.510 -0.917 -9.259 1.00 24.12 C ATOM 607 O LEU A 38 -4.717 0.260 -9.560 1.00 44.05 O ATOM 608 CB LEU A 38 -3.417 -1.816 -7.199 1.00 64.30 C ATOM 609 CG LEU A 38 -3.263 -1.483 -5.710 1.00 41.54 C ATOM 610 CD1 LEU A 38 -4.448 -1.999 -4.907 1.00 71.24 C ATOM 611 CD2 LEU A 38 -1.971 -2.071 -5.168 1.00 43.05 C ATOM 0 H LEU A 38 -5.299 -3.381 -7.388 1.00 22.51 H new ATOM 0 HA LEU A 38 -5.199 -0.600 -7.269 1.00 1.13 H new ATOM 0 HB2 LEU A 38 -3.284 -2.890 -7.327 1.00 64.30 H new ATOM 0 HB3 LEU A 38 -2.611 -1.327 -7.746 1.00 64.30 H new ATOM 0 HG LEU A 38 -3.230 -0.398 -5.610 1.00 41.54 H new ATOM 0 HD11 LEU A 38 -4.311 -1.749 -3.855 1.00 71.24 H new ATOM 0 HD12 LEU A 38 -5.365 -1.537 -5.274 1.00 71.24 H new ATOM 0 HD13 LEU A 38 -4.518 -3.081 -5.016 1.00 71.24 H new ATOM 0 HD21 LEU A 38 -1.876 -1.826 -4.110 1.00 43.05 H new ATOM 0 HD22 LEU A 38 -1.985 -3.154 -5.290 1.00 43.05 H new ATOM 0 HD23 LEU A 38 -1.125 -1.655 -5.714 1.00 43.05 H new ATOM 623 N THR A 39 -4.095 -1.816 -10.143 1.00 54.34 N ATOM 624 CA THR A 39 -3.660 -1.422 -11.474 1.00 35.20 C ATOM 625 C THR A 39 -4.817 -0.897 -12.309 1.00 2.05 C ATOM 626 O THR A 39 -4.611 -0.174 -13.284 1.00 32.32 O ATOM 627 CB THR A 39 -2.946 -2.575 -12.215 1.00 35.50 C ATOM 628 OG1 THR A 39 -2.058 -2.051 -13.214 1.00 55.20 O ATOM 629 CG2 THR A 39 -3.954 -3.500 -12.871 1.00 60.30 C ATOM 0 H THR A 39 -4.051 -2.819 -9.962 1.00 54.34 H new ATOM 0 HA THR A 39 -2.941 -0.614 -11.337 1.00 35.20 H new ATOM 0 HB THR A 39 -2.372 -3.142 -11.482 1.00 35.50 H new ATOM 0 HG1 THR A 39 -1.611 -2.791 -13.675 1.00 55.20 H new ATOM 0 HG21 THR A 39 -3.428 -4.304 -13.387 1.00 60.30 H new ATOM 0 HG22 THR A 39 -4.608 -3.924 -12.109 1.00 60.30 H new ATOM 0 HG23 THR A 39 -4.551 -2.937 -13.589 1.00 60.30 H new ATOM 637 N VAL A 40 -6.034 -1.237 -11.923 1.00 23.35 N ATOM 638 CA VAL A 40 -7.171 -0.862 -12.728 1.00 33.14 C ATOM 639 C VAL A 40 -7.914 0.348 -12.159 1.00 5.12 C ATOM 640 O VAL A 40 -8.789 0.912 -12.820 1.00 33.25 O ATOM 641 CB VAL A 40 -8.117 -2.061 -12.914 1.00 31.34 C ATOM 642 CG1 VAL A 40 -9.048 -2.229 -11.718 1.00 1.31 C ATOM 643 CG2 VAL A 40 -8.895 -1.946 -14.215 1.00 31.00 C ATOM 0 H VAL A 40 -6.253 -1.761 -11.075 1.00 23.35 H new ATOM 0 HA VAL A 40 -6.793 -0.562 -13.706 1.00 33.14 H new ATOM 0 HB VAL A 40 -7.504 -2.960 -12.974 1.00 31.34 H new ATOM 0 HG11 VAL A 40 -9.702 -3.085 -11.884 1.00 1.31 H new ATOM 0 HG12 VAL A 40 -8.457 -2.393 -10.817 1.00 1.31 H new ATOM 0 HG13 VAL A 40 -9.651 -1.329 -11.597 1.00 1.31 H new ATOM 0 HG21 VAL A 40 -9.556 -2.806 -14.321 1.00 31.00 H new ATOM 0 HG22 VAL A 40 -9.488 -1.032 -14.204 1.00 31.00 H new ATOM 0 HG23 VAL A 40 -8.199 -1.917 -15.054 1.00 31.00 H new ATOM 653 N VAL A 41 -7.587 0.750 -10.937 1.00 50.11 N ATOM 654 CA VAL A 41 -8.058 2.040 -10.451 1.00 64.11 C ATOM 655 C VAL A 41 -7.138 3.133 -10.977 1.00 15.22 C ATOM 656 O VAL A 41 -7.584 4.244 -11.273 1.00 63.40 O ATOM 657 CB VAL A 41 -8.165 2.122 -8.906 1.00 71.34 C ATOM 658 CG1 VAL A 41 -9.198 1.128 -8.393 1.00 61.00 C ATOM 659 CG2 VAL A 41 -6.817 1.893 -8.238 1.00 43.54 C ATOM 0 H VAL A 41 -7.014 0.219 -10.281 1.00 50.11 H new ATOM 0 HA VAL A 41 -9.073 2.176 -10.826 1.00 64.11 H new ATOM 0 HB VAL A 41 -8.490 3.130 -8.647 1.00 71.34 H new ATOM 0 HG11 VAL A 41 -9.262 1.197 -7.307 1.00 61.00 H new ATOM 0 HG12 VAL A 41 -10.171 1.356 -8.829 1.00 61.00 H new ATOM 0 HG13 VAL A 41 -8.902 0.118 -8.675 1.00 61.00 H new ATOM 0 HG21 VAL A 41 -6.931 1.958 -7.156 1.00 43.54 H new ATOM 0 HG22 VAL A 41 -6.442 0.905 -8.505 1.00 43.54 H new ATOM 0 HG23 VAL A 41 -6.111 2.652 -8.574 1.00 43.54 H new ATOM 669 N ASP A 42 -5.856 2.785 -11.120 1.00 22.43 N ATOM 670 CA ASP A 42 -4.862 3.668 -11.721 1.00 22.00 C ATOM 671 C ASP A 42 -3.513 2.944 -11.796 1.00 50.13 C ATOM 672 O ASP A 42 -3.156 2.414 -12.847 1.00 21.35 O ATOM 673 CB ASP A 42 -4.731 4.961 -10.920 1.00 52.31 C ATOM 674 CG ASP A 42 -4.181 6.105 -11.749 1.00 75.22 C ATOM 675 OD1 ASP A 42 -3.116 5.938 -12.370 1.00 64.24 O ATOM 676 OD2 ASP A 42 -4.831 7.173 -11.812 1.00 55.52 O ATOM 0 H ASP A 42 -5.482 1.884 -10.822 1.00 22.43 H new ATOM 0 HA ASP A 42 -5.185 3.930 -12.729 1.00 22.00 H new ATOM 0 HB2 ASP A 42 -5.708 5.240 -10.525 1.00 52.31 H new ATOM 0 HB3 ASP A 42 -4.078 4.790 -10.064 1.00 52.31 H new ATOM 681 N GLN A 43 -2.804 2.909 -10.660 1.00 64.10 N ATOM 682 CA GLN A 43 -1.543 2.160 -10.480 1.00 50.03 C ATOM 683 C GLN A 43 -0.486 2.440 -11.545 1.00 43.45 C ATOM 684 O GLN A 43 0.438 3.221 -11.326 1.00 21.33 O ATOM 685 CB GLN A 43 -1.826 0.668 -10.469 1.00 71.31 C ATOM 686 CG GLN A 43 -1.264 -0.097 -9.281 1.00 53.23 C ATOM 687 CD GLN A 43 0.249 -0.226 -9.287 1.00 61.43 C ATOM 688 OE1 GLN A 43 0.878 -0.281 -8.238 1.00 31.03 O ATOM 689 NE2 GLN A 43 0.840 -0.296 -10.467 1.00 75.12 N ATOM 0 H GLN A 43 -3.093 3.410 -9.820 1.00 64.10 H new ATOM 0 HA GLN A 43 -1.136 2.502 -9.528 1.00 50.03 H new ATOM 0 HB2 GLN A 43 -2.906 0.521 -10.496 1.00 71.31 H new ATOM 0 HB3 GLN A 43 -1.422 0.233 -11.383 1.00 71.31 H new ATOM 0 HG2 GLN A 43 -1.572 0.402 -8.362 1.00 53.23 H new ATOM 0 HG3 GLN A 43 -1.703 -1.095 -9.264 1.00 53.23 H new ATOM 0 HE21 GLN A 43 0.283 -0.247 -11.320 1.00 75.12 H new ATOM 0 HE22 GLN A 43 1.853 -0.399 -10.525 1.00 75.12 H new ATOM 698 N ASP A 44 -0.626 1.784 -12.697 1.00 12.45 N ATOM 699 CA ASP A 44 0.436 1.754 -13.693 1.00 71.33 C ATOM 700 C ASP A 44 -0.002 2.349 -15.041 1.00 30.45 C ATOM 701 O ASP A 44 -0.197 1.626 -16.013 1.00 63.14 O ATOM 702 CB ASP A 44 0.915 0.304 -13.887 1.00 23.11 C ATOM 703 CG ASP A 44 2.166 0.193 -14.747 1.00 75.52 C ATOM 704 OD1 ASP A 44 2.057 0.214 -15.990 1.00 64.01 O ATOM 705 OD2 ASP A 44 3.271 0.066 -14.180 1.00 24.13 O ATOM 0 H ASP A 44 -1.465 1.268 -12.960 1.00 12.45 H new ATOM 0 HA ASP A 44 1.252 2.374 -13.323 1.00 71.33 H new ATOM 0 HB2 ASP A 44 1.113 -0.140 -12.911 1.00 23.11 H new ATOM 0 HB3 ASP A 44 0.115 -0.277 -14.345 1.00 23.11 H new ATOM 710 N PRO A 45 -0.259 3.663 -15.103 1.00 62.53 N ATOM 711 CA PRO A 45 -0.265 4.393 -16.375 1.00 3.31 C ATOM 712 C PRO A 45 1.146 4.816 -16.771 1.00 43.21 C ATOM 713 O PRO A 45 1.395 5.254 -17.896 1.00 2.22 O ATOM 714 CB PRO A 45 -1.117 5.624 -16.072 1.00 53.40 C ATOM 715 CG PRO A 45 -0.865 5.890 -14.630 1.00 64.13 C ATOM 716 CD PRO A 45 -0.680 4.518 -13.980 1.00 15.40 C ATOM 0 HA PRO A 45 -0.646 3.793 -17.201 1.00 3.31 H new ATOM 0 HB2 PRO A 45 -0.826 6.473 -16.691 1.00 53.40 H new ATOM 0 HB3 PRO A 45 -2.173 5.436 -16.265 1.00 53.40 H new ATOM 0 HG2 PRO A 45 0.022 6.509 -14.496 1.00 64.13 H new ATOM 0 HG3 PRO A 45 -1.700 6.427 -14.180 1.00 64.13 H new ATOM 0 HD2 PRO A 45 0.072 4.545 -13.191 1.00 15.40 H new ATOM 0 HD3 PRO A 45 -1.604 4.160 -13.527 1.00 15.40 H new ATOM 724 N GLY A 46 2.067 4.674 -15.827 1.00 42.05 N ATOM 725 CA GLY A 46 3.432 5.099 -16.035 1.00 63.11 C ATOM 726 C GLY A 46 3.801 6.240 -15.116 1.00 65.13 C ATOM 727 O GLY A 46 4.247 6.021 -13.991 1.00 1.04 O ATOM 0 H GLY A 46 1.886 4.266 -14.910 1.00 42.05 H new ATOM 0 HA2 GLY A 46 4.106 4.260 -15.864 1.00 63.11 H new ATOM 0 HA3 GLY A 46 3.564 5.408 -17.072 1.00 63.11 H new ATOM 731 N GLN A 47 3.619 7.459 -15.597 1.00 71.22 N ATOM 732 CA GLN A 47 3.845 8.639 -14.782 1.00 10.02 C ATOM 733 C GLN A 47 2.582 8.969 -13.994 1.00 63.02 C ATOM 734 O GLN A 47 1.635 9.546 -14.526 1.00 21.01 O ATOM 735 CB GLN A 47 4.252 9.826 -15.657 1.00 45.24 C ATOM 736 CG GLN A 47 4.494 11.110 -14.881 1.00 52.34 C ATOM 737 CD GLN A 47 4.793 12.280 -15.792 1.00 74.21 C ATOM 738 OE1 GLN A 47 3.882 12.970 -16.246 1.00 5.51 O ATOM 739 NE2 GLN A 47 6.066 12.518 -16.059 1.00 33.35 N ATOM 0 H GLN A 47 3.315 7.656 -16.550 1.00 71.22 H new ATOM 0 HA GLN A 47 4.657 8.436 -14.084 1.00 10.02 H new ATOM 0 HB2 GLN A 47 5.159 9.567 -16.204 1.00 45.24 H new ATOM 0 HB3 GLN A 47 3.472 10.003 -16.398 1.00 45.24 H new ATOM 0 HG2 GLN A 47 3.616 11.338 -14.276 1.00 52.34 H new ATOM 0 HG3 GLN A 47 5.327 10.965 -14.193 1.00 52.34 H new ATOM 0 HE21 GLN A 47 6.791 11.921 -15.661 1.00 33.35 H new ATOM 0 HE22 GLN A 47 6.323 13.299 -16.663 1.00 33.35 H new ATOM 748 N VAL A 48 2.564 8.569 -12.736 1.00 74.54 N ATOM 749 CA VAL A 48 1.409 8.784 -11.883 1.00 22.12 C ATOM 750 C VAL A 48 1.861 9.160 -10.473 1.00 33.02 C ATOM 751 O VAL A 48 2.938 8.754 -10.035 1.00 63.45 O ATOM 752 CB VAL A 48 0.512 7.524 -11.858 1.00 62.44 C ATOM 753 CG1 VAL A 48 1.297 6.313 -11.376 1.00 23.53 C ATOM 754 CG2 VAL A 48 -0.734 7.744 -11.008 1.00 23.32 C ATOM 0 H VAL A 48 3.341 8.091 -12.280 1.00 74.54 H new ATOM 0 HA VAL A 48 0.821 9.608 -12.287 1.00 22.12 H new ATOM 0 HB VAL A 48 0.181 7.330 -12.878 1.00 62.44 H new ATOM 0 HG11 VAL A 48 0.647 5.438 -11.366 1.00 23.53 H new ATOM 0 HG12 VAL A 48 2.137 6.133 -12.047 1.00 23.53 H new ATOM 0 HG13 VAL A 48 1.670 6.499 -10.369 1.00 23.53 H new ATOM 0 HG21 VAL A 48 -1.342 6.839 -11.012 1.00 23.32 H new ATOM 0 HG22 VAL A 48 -0.440 7.979 -9.985 1.00 23.32 H new ATOM 0 HG23 VAL A 48 -1.313 8.572 -11.418 1.00 23.32 H new ATOM 764 N GLU A 49 1.051 9.955 -9.787 1.00 51.11 N ATOM 765 CA GLU A 49 1.409 10.470 -8.474 1.00 73.01 C ATOM 766 C GLU A 49 0.404 9.998 -7.425 1.00 74.03 C ATOM 767 O GLU A 49 -0.724 10.495 -7.364 1.00 62.20 O ATOM 768 CB GLU A 49 1.453 11.994 -8.535 1.00 2.42 C ATOM 769 CG GLU A 49 2.089 12.647 -7.326 1.00 74.00 C ATOM 770 CD GLU A 49 2.301 14.129 -7.535 1.00 74.14 C ATOM 771 OE1 GLU A 49 2.863 14.510 -8.585 1.00 33.52 O ATOM 772 OE2 GLU A 49 1.929 14.917 -6.646 1.00 23.12 O ATOM 0 H GLU A 49 0.136 10.258 -10.121 1.00 51.11 H new ATOM 0 HA GLU A 49 2.391 10.093 -8.187 1.00 73.01 H new ATOM 0 HB2 GLU A 49 2.002 12.295 -9.427 1.00 2.42 H new ATOM 0 HB3 GLU A 49 0.436 12.371 -8.645 1.00 2.42 H new ATOM 0 HG2 GLU A 49 1.456 12.490 -6.453 1.00 74.00 H new ATOM 0 HG3 GLU A 49 3.046 12.169 -7.116 1.00 74.00 H new ATOM 779 N TRP A 50 0.809 9.039 -6.602 1.00 11.54 N ATOM 780 CA TRP A 50 -0.112 8.425 -5.659 1.00 52.12 C ATOM 781 C TRP A 50 0.629 7.661 -4.574 1.00 25.42 C ATOM 782 O TRP A 50 1.856 7.740 -4.465 1.00 41.42 O ATOM 783 CB TRP A 50 -1.077 7.486 -6.392 1.00 24.15 C ATOM 784 CG TRP A 50 -0.437 6.288 -7.032 1.00 14.41 C ATOM 785 CD1 TRP A 50 0.426 6.276 -8.089 1.00 4.43 C ATOM 786 CD2 TRP A 50 -0.637 4.921 -6.664 1.00 31.43 C ATOM 787 NE1 TRP A 50 0.785 4.985 -8.392 1.00 20.55 N ATOM 788 CE2 TRP A 50 0.147 4.136 -7.530 1.00 1.22 C ATOM 789 CE3 TRP A 50 -1.391 4.285 -5.680 1.00 10.21 C ATOM 790 CZ2 TRP A 50 0.188 2.750 -7.445 1.00 54.44 C ATOM 791 CZ3 TRP A 50 -1.351 2.907 -5.598 1.00 62.33 C ATOM 792 CH2 TRP A 50 -0.562 2.152 -6.474 1.00 41.53 C ATOM 0 H TRP A 50 1.761 8.673 -6.569 1.00 11.54 H new ATOM 0 HA TRP A 50 -0.679 9.225 -5.183 1.00 52.12 H new ATOM 0 HB2 TRP A 50 -1.831 7.141 -5.685 1.00 24.15 H new ATOM 0 HB3 TRP A 50 -1.598 8.055 -7.162 1.00 24.15 H new ATOM 0 HD1 TRP A 50 0.776 7.154 -8.612 1.00 4.43 H new ATOM 0 HE1 TRP A 50 1.423 4.705 -9.137 1.00 20.55 H new ATOM 0 HE3 TRP A 50 -1.996 4.859 -4.994 1.00 10.21 H new ATOM 0 HZ2 TRP A 50 0.792 2.166 -8.124 1.00 54.44 H new ATOM 0 HZ3 TRP A 50 -1.939 2.403 -4.845 1.00 62.33 H new ATOM 0 HH2 TRP A 50 -0.546 1.076 -6.380 1.00 41.53 H new ATOM 803 N PHE A 51 -0.124 6.944 -3.753 1.00 54.22 N ATOM 804 CA PHE A 51 0.468 6.078 -2.747 1.00 64.41 C ATOM 805 C PHE A 51 -0.562 5.126 -2.160 1.00 40.10 C ATOM 806 O PHE A 51 -1.764 5.338 -2.313 1.00 42.30 O ATOM 807 CB PHE A 51 1.134 6.920 -1.654 1.00 32.44 C ATOM 808 CG PHE A 51 0.203 7.759 -0.820 1.00 53.31 C ATOM 809 CD1 PHE A 51 -0.363 8.919 -1.328 1.00 11.54 C ATOM 810 CD2 PHE A 51 -0.075 7.399 0.485 1.00 61.21 C ATOM 811 CE1 PHE A 51 -1.194 9.700 -0.546 1.00 62.41 C ATOM 812 CE2 PHE A 51 -0.904 8.171 1.270 1.00 34.10 C ATOM 813 CZ PHE A 51 -1.464 9.327 0.756 1.00 32.30 C ATOM 0 H PHE A 51 -1.144 6.945 -3.764 1.00 54.22 H new ATOM 0 HA PHE A 51 1.233 5.467 -3.226 1.00 64.41 H new ATOM 0 HB2 PHE A 51 1.684 6.252 -0.991 1.00 32.44 H new ATOM 0 HB3 PHE A 51 1.866 7.578 -2.123 1.00 32.44 H new ATOM 0 HD1 PHE A 51 -0.152 9.215 -2.345 1.00 11.54 H new ATOM 0 HD2 PHE A 51 0.363 6.501 0.895 1.00 61.21 H new ATOM 0 HE1 PHE A 51 -1.631 10.600 -0.953 1.00 62.41 H new ATOM 0 HE2 PHE A 51 -1.116 7.874 2.286 1.00 34.10 H new ATOM 0 HZ PHE A 51 -2.110 9.936 1.371 1.00 32.30 H new ATOM 823 N VAL A 52 -0.094 4.053 -1.525 1.00 34.15 N ATOM 824 CA VAL A 52 -0.990 3.136 -0.827 1.00 62.51 C ATOM 825 C VAL A 52 -0.890 3.366 0.673 1.00 11.33 C ATOM 826 O VAL A 52 0.164 3.770 1.183 1.00 73.32 O ATOM 827 CB VAL A 52 -0.725 1.643 -1.153 1.00 53.41 C ATOM 828 CG1 VAL A 52 -0.813 1.392 -2.649 1.00 75.41 C ATOM 829 CG2 VAL A 52 0.610 1.176 -0.601 1.00 14.41 C ATOM 0 H VAL A 52 0.893 3.799 -1.480 1.00 34.15 H new ATOM 0 HA VAL A 52 -1.998 3.353 -1.180 1.00 62.51 H new ATOM 0 HB VAL A 52 -1.502 1.058 -0.662 1.00 53.41 H new ATOM 0 HG11 VAL A 52 -0.624 0.338 -2.853 1.00 75.41 H new ATOM 0 HG12 VAL A 52 -1.809 1.657 -3.004 1.00 75.41 H new ATOM 0 HG13 VAL A 52 -0.070 2.001 -3.164 1.00 75.41 H new ATOM 0 HG21 VAL A 52 0.759 0.125 -0.850 1.00 14.41 H new ATOM 0 HG22 VAL A 52 1.412 1.770 -1.038 1.00 14.41 H new ATOM 0 HG23 VAL A 52 0.618 1.297 0.482 1.00 14.41 H new ATOM 839 N LEU A 53 -1.976 3.103 1.381 1.00 42.31 N ATOM 840 CA LEU A 53 -2.103 3.570 2.750 1.00 13.33 C ATOM 841 C LEU A 53 -2.745 2.529 3.666 1.00 25.13 C ATOM 842 O LEU A 53 -3.828 2.010 3.375 1.00 75.22 O ATOM 843 CB LEU A 53 -2.930 4.860 2.713 1.00 62.41 C ATOM 844 CG LEU A 53 -3.162 5.585 4.039 1.00 64.04 C ATOM 845 CD1 LEU A 53 -3.322 7.073 3.777 1.00 63.51 C ATOM 846 CD2 LEU A 53 -4.400 5.050 4.738 1.00 51.21 C ATOM 0 H LEU A 53 -2.776 2.573 1.034 1.00 42.31 H new ATOM 0 HA LEU A 53 -1.113 3.753 3.167 1.00 13.33 H new ATOM 0 HB2 LEU A 53 -2.440 5.555 2.030 1.00 62.41 H new ATOM 0 HB3 LEU A 53 -3.904 4.624 2.283 1.00 62.41 H new ATOM 0 HG LEU A 53 -2.302 5.414 4.687 1.00 64.04 H new ATOM 0 HD11 LEU A 53 -3.488 7.593 4.721 1.00 63.51 H new ATOM 0 HD12 LEU A 53 -2.419 7.458 3.304 1.00 63.51 H new ATOM 0 HD13 LEU A 53 -4.175 7.237 3.118 1.00 63.51 H new ATOM 0 HD21 LEU A 53 -4.545 5.581 5.679 1.00 51.21 H new ATOM 0 HD22 LEU A 53 -5.271 5.199 4.100 1.00 51.21 H new ATOM 0 HD23 LEU A 53 -4.274 3.986 4.938 1.00 51.21 H new ATOM 858 N ASN A 54 -2.061 2.220 4.764 1.00 41.44 N ATOM 859 CA ASN A 54 -2.656 1.446 5.851 1.00 22.23 C ATOM 860 C ASN A 54 -3.329 2.407 6.821 1.00 71.01 C ATOM 861 O ASN A 54 -2.724 3.389 7.244 1.00 22.44 O ATOM 862 CB ASN A 54 -1.602 0.618 6.592 1.00 0.54 C ATOM 863 CG ASN A 54 -0.996 -0.487 5.742 1.00 74.00 C ATOM 864 OD1 ASN A 54 0.167 -0.840 5.908 1.00 64.14 O ATOM 865 ND2 ASN A 54 -1.779 -1.050 4.831 1.00 63.11 N ATOM 0 H ASN A 54 -1.092 2.494 4.925 1.00 41.44 H new ATOM 0 HA ASN A 54 -3.385 0.754 5.430 1.00 22.23 H new ATOM 0 HB2 ASN A 54 -0.807 1.279 6.936 1.00 0.54 H new ATOM 0 HB3 ASN A 54 -2.055 0.176 7.479 1.00 0.54 H new ATOM 0 HD21 ASN A 54 -1.418 -1.801 4.242 1.00 63.11 H new ATOM 0 HD22 ASN A 54 -2.742 -0.732 4.719 1.00 63.11 H new ATOM 872 N ALA A 55 -4.578 2.138 7.170 1.00 74.40 N ATOM 873 CA ALA A 55 -5.361 3.102 7.932 1.00 54.14 C ATOM 874 C ALA A 55 -5.416 2.773 9.416 1.00 4.04 C ATOM 875 O ALA A 55 -4.919 3.540 10.238 1.00 2.33 O ATOM 876 CB ALA A 55 -6.766 3.216 7.370 1.00 13.02 C ATOM 0 H ALA A 55 -5.067 1.272 6.942 1.00 74.40 H new ATOM 0 HA ALA A 55 -4.853 4.062 7.834 1.00 54.14 H new ATOM 0 HB1 ALA A 55 -7.334 3.941 7.954 1.00 13.02 H new ATOM 0 HB2 ALA A 55 -6.717 3.544 6.332 1.00 13.02 H new ATOM 0 HB3 ALA A 55 -7.258 2.245 7.420 1.00 13.02 H new ATOM 882 N GLU A 56 -6.007 1.639 9.770 1.00 63.21 N ATOM 883 CA GLU A 56 -6.298 1.371 11.172 1.00 12.33 C ATOM 884 C GLU A 56 -6.197 -0.114 11.528 1.00 72.34 C ATOM 885 O GLU A 56 -5.294 -0.525 12.256 1.00 12.32 O ATOM 886 CB GLU A 56 -7.701 1.886 11.497 1.00 40.34 C ATOM 887 CG GLU A 56 -8.100 1.717 12.950 1.00 54.43 C ATOM 888 CD GLU A 56 -9.580 1.922 13.160 1.00 22.42 C ATOM 889 OE1 GLU A 56 -10.007 3.078 13.363 1.00 41.24 O ATOM 890 OE2 GLU A 56 -10.326 0.923 13.119 1.00 20.11 O ATOM 0 H GLU A 56 -6.289 0.904 9.121 1.00 63.21 H new ATOM 0 HA GLU A 56 -5.547 1.889 11.768 1.00 12.33 H new ATOM 0 HB2 GLU A 56 -7.758 2.943 11.236 1.00 40.34 H new ATOM 0 HB3 GLU A 56 -8.423 1.363 10.870 1.00 40.34 H new ATOM 0 HG2 GLU A 56 -7.821 0.719 13.288 1.00 54.43 H new ATOM 0 HG3 GLU A 56 -7.546 2.428 13.563 1.00 54.43 H new ATOM 897 N SER A 57 -7.116 -0.913 11.005 1.00 63.02 N ATOM 898 CA SER A 57 -7.283 -2.286 11.464 1.00 52.44 C ATOM 899 C SER A 57 -6.766 -3.284 10.435 1.00 13.13 C ATOM 900 O SER A 57 -7.198 -4.437 10.394 1.00 64.54 O ATOM 901 CB SER A 57 -8.762 -2.548 11.761 1.00 41.43 C ATOM 902 OG SER A 57 -9.254 -1.649 12.745 1.00 13.13 O ATOM 0 H SER A 57 -7.758 -0.635 10.263 1.00 63.02 H new ATOM 0 HA SER A 57 -6.698 -2.419 12.374 1.00 52.44 H new ATOM 0 HB2 SER A 57 -9.344 -2.443 10.845 1.00 41.43 H new ATOM 0 HB3 SER A 57 -8.891 -3.574 12.105 1.00 41.43 H new ATOM 0 HG SER A 57 -9.511 -0.805 12.318 1.00 13.13 H new ATOM 908 N ASN A 58 -5.797 -2.848 9.645 1.00 12.44 N ATOM 909 CA ASN A 58 -5.225 -3.671 8.579 1.00 55.22 C ATOM 910 C ASN A 58 -4.294 -4.751 9.133 1.00 13.32 C ATOM 911 O ASN A 58 -3.487 -5.319 8.402 1.00 1.34 O ATOM 912 CB ASN A 58 -4.451 -2.786 7.599 1.00 63.43 C ATOM 913 CG ASN A 58 -3.427 -1.916 8.297 1.00 72.31 C ATOM 914 OD1 ASN A 58 -3.728 -0.790 8.701 1.00 1.41 O ATOM 915 ND2 ASN A 58 -2.215 -2.428 8.446 1.00 23.33 N ATOM 0 H ASN A 58 -5.383 -1.919 9.720 1.00 12.44 H new ATOM 0 HA ASN A 58 -6.049 -4.166 8.066 1.00 55.22 H new ATOM 0 HB2 ASN A 58 -3.949 -3.415 6.863 1.00 63.43 H new ATOM 0 HB3 ASN A 58 -5.151 -2.153 7.053 1.00 63.43 H new ATOM 0 HD21 ASN A 58 -1.486 -1.886 8.911 1.00 23.33 H new ATOM 0 HD22 ASN A 58 -2.010 -3.364 8.096 1.00 23.33 H new ATOM 922 N VAL A 59 -4.429 -5.049 10.417 1.00 2.24 N ATOM 923 CA VAL A 59 -3.533 -5.982 11.079 1.00 21.52 C ATOM 924 C VAL A 59 -4.091 -7.401 11.097 1.00 72.11 C ATOM 925 O VAL A 59 -3.345 -8.358 11.293 1.00 51.54 O ATOM 926 CB VAL A 59 -3.236 -5.545 12.528 1.00 75.22 C ATOM 927 CG1 VAL A 59 -2.569 -4.189 12.550 1.00 64.44 C ATOM 928 CG2 VAL A 59 -4.499 -5.520 13.373 1.00 32.13 C ATOM 0 H VAL A 59 -5.152 -4.657 11.021 1.00 2.24 H new ATOM 0 HA VAL A 59 -2.610 -5.976 10.500 1.00 21.52 H new ATOM 0 HB VAL A 59 -2.557 -6.281 12.959 1.00 75.22 H new ATOM 0 HG11 VAL A 59 -2.368 -3.899 13.581 1.00 64.44 H new ATOM 0 HG12 VAL A 59 -1.631 -4.236 11.997 1.00 64.44 H new ATOM 0 HG13 VAL A 59 -3.226 -3.453 12.088 1.00 64.44 H new ATOM 0 HG21 VAL A 59 -4.252 -5.208 14.388 1.00 32.13 H new ATOM 0 HG22 VAL A 59 -5.212 -4.818 12.941 1.00 32.13 H new ATOM 0 HG23 VAL A 59 -4.940 -6.516 13.397 1.00 32.13 H new ATOM 938 N GLU A 60 -5.393 -7.542 10.892 1.00 31.51 N ATOM 939 CA GLU A 60 -6.028 -8.852 10.961 1.00 11.44 C ATOM 940 C GLU A 60 -6.412 -9.303 9.569 1.00 62.23 C ATOM 941 O GLU A 60 -6.951 -10.387 9.370 1.00 34.25 O ATOM 942 CB GLU A 60 -7.274 -8.781 11.840 1.00 12.11 C ATOM 943 CG GLU A 60 -7.013 -8.199 13.216 1.00 12.12 C ATOM 944 CD GLU A 60 -8.284 -7.961 13.993 1.00 21.14 C ATOM 945 OE1 GLU A 60 -8.735 -8.885 14.699 1.00 71.21 O ATOM 946 OE2 GLU A 60 -8.841 -6.847 13.898 1.00 25.01 O ATOM 0 H GLU A 60 -6.027 -6.772 10.678 1.00 31.51 H new ATOM 0 HA GLU A 60 -5.328 -9.567 11.393 1.00 11.44 H new ATOM 0 HB2 GLU A 60 -8.030 -8.178 11.337 1.00 12.11 H new ATOM 0 HB3 GLU A 60 -7.688 -9.783 11.951 1.00 12.11 H new ATOM 0 HG2 GLU A 60 -6.369 -8.876 13.777 1.00 12.12 H new ATOM 0 HG3 GLU A 60 -6.473 -7.258 13.112 1.00 12.12 H new ATOM 953 N VAL A 61 -6.102 -8.456 8.604 1.00 65.14 N ATOM 954 CA VAL A 61 -6.629 -8.597 7.266 1.00 21.32 C ATOM 955 C VAL A 61 -5.587 -9.160 6.307 1.00 13.11 C ATOM 956 O VAL A 61 -5.917 -9.850 5.336 1.00 11.43 O ATOM 957 CB VAL A 61 -7.134 -7.224 6.756 1.00 35.32 C ATOM 958 CG1 VAL A 61 -7.869 -6.497 7.873 1.00 23.22 C ATOM 959 CG2 VAL A 61 -6.002 -6.355 6.222 1.00 33.33 C ATOM 0 H VAL A 61 -5.481 -7.656 8.728 1.00 65.14 H new ATOM 0 HA VAL A 61 -7.459 -9.303 7.303 1.00 21.32 H new ATOM 0 HB VAL A 61 -7.816 -7.412 5.927 1.00 35.32 H new ATOM 0 HG11 VAL A 61 -8.222 -5.532 7.509 1.00 23.22 H new ATOM 0 HG12 VAL A 61 -8.720 -7.095 8.198 1.00 23.22 H new ATOM 0 HG13 VAL A 61 -7.192 -6.342 8.713 1.00 23.22 H new ATOM 0 HG21 VAL A 61 -6.406 -5.403 5.876 1.00 33.33 H new ATOM 0 HG22 VAL A 61 -5.277 -6.175 7.015 1.00 33.33 H new ATOM 0 HG23 VAL A 61 -5.513 -6.864 5.392 1.00 33.33 H new ATOM 969 N ASP A 62 -4.330 -8.908 6.616 1.00 11.33 N ATOM 970 CA ASP A 62 -3.260 -9.143 5.672 1.00 14.22 C ATOM 971 C ASP A 62 -2.176 -10.007 6.305 1.00 34.20 C ATOM 972 O ASP A 62 -1.629 -9.658 7.351 1.00 11.03 O ATOM 973 CB ASP A 62 -2.703 -7.785 5.236 1.00 72.54 C ATOM 974 CG ASP A 62 -1.758 -7.860 4.050 1.00 32.42 C ATOM 975 OD1 ASP A 62 -0.854 -8.723 4.048 1.00 61.23 O ATOM 976 OD2 ASP A 62 -1.934 -7.059 3.101 1.00 41.01 O ATOM 0 H ASP A 62 -4.026 -8.539 7.517 1.00 11.33 H new ATOM 0 HA ASP A 62 -3.633 -9.680 4.800 1.00 14.22 H new ATOM 0 HB2 ASP A 62 -3.534 -7.126 4.985 1.00 72.54 H new ATOM 0 HB3 ASP A 62 -2.179 -7.331 6.077 1.00 72.54 H new ATOM 981 N LEU A 63 -1.890 -11.144 5.682 1.00 75.11 N ATOM 982 CA LEU A 63 -0.925 -12.090 6.228 1.00 33.14 C ATOM 983 C LEU A 63 0.295 -12.215 5.320 1.00 22.42 C ATOM 984 O LEU A 63 1.384 -11.775 5.670 1.00 75.33 O ATOM 985 CB LEU A 63 -1.570 -13.467 6.443 1.00 43.41 C ATOM 986 CG LEU A 63 -2.351 -13.651 7.754 1.00 51.21 C ATOM 987 CD1 LEU A 63 -3.491 -12.649 7.875 1.00 52.22 C ATOM 988 CD2 LEU A 63 -2.892 -15.068 7.847 1.00 21.54 C ATOM 0 H LEU A 63 -2.312 -11.433 4.799 1.00 75.11 H new ATOM 0 HA LEU A 63 -0.596 -11.706 7.194 1.00 33.14 H new ATOM 0 HB2 LEU A 63 -2.246 -13.663 5.611 1.00 43.41 H new ATOM 0 HB3 LEU A 63 -0.786 -14.223 6.402 1.00 43.41 H new ATOM 0 HG LEU A 63 -1.661 -13.472 8.578 1.00 51.21 H new ATOM 0 HD11 LEU A 63 -4.019 -12.811 8.815 1.00 52.22 H new ATOM 0 HD12 LEU A 63 -3.089 -11.636 7.855 1.00 52.22 H new ATOM 0 HD13 LEU A 63 -4.182 -12.782 7.043 1.00 52.22 H new ATOM 0 HD21 LEU A 63 -3.443 -15.186 8.780 1.00 21.54 H new ATOM 0 HD22 LEU A 63 -3.558 -15.259 7.005 1.00 21.54 H new ATOM 0 HD23 LEU A 63 -2.064 -15.776 7.823 1.00 21.54 H new ATOM 1000 N THR A 64 0.118 -12.818 4.156 1.00 24.21 N ATOM 1001 CA THR A 64 1.210 -12.946 3.196 1.00 64.50 C ATOM 1002 C THR A 64 0.961 -11.999 2.023 1.00 62.15 C ATOM 1003 O THR A 64 1.657 -12.009 0.993 1.00 41.45 O ATOM 1004 CB THR A 64 1.335 -14.401 2.694 1.00 54.33 C ATOM 1005 OG1 THR A 64 1.130 -15.305 3.790 1.00 43.30 O ATOM 1006 CG2 THR A 64 2.705 -14.661 2.082 1.00 74.44 C ATOM 0 H THR A 64 -0.766 -13.226 3.851 1.00 24.21 H new ATOM 0 HA THR A 64 2.147 -12.681 3.687 1.00 64.50 H new ATOM 0 HB THR A 64 0.579 -14.560 1.925 1.00 54.33 H new ATOM 0 HG1 THR A 64 0.260 -15.745 3.692 1.00 43.30 H new ATOM 0 HG21 THR A 64 2.760 -15.694 1.739 1.00 74.44 H new ATOM 0 HG22 THR A 64 2.860 -13.989 1.238 1.00 74.44 H new ATOM 0 HG23 THR A 64 3.477 -14.486 2.831 1.00 74.44 H new ATOM 1014 N ALA A 65 -0.030 -11.146 2.203 1.00 44.42 N ATOM 1015 CA ALA A 65 -0.429 -10.236 1.161 1.00 1.51 C ATOM 1016 C ALA A 65 0.541 -9.066 1.062 1.00 5.22 C ATOM 1017 O ALA A 65 0.590 -8.407 0.027 1.00 21.02 O ATOM 1018 CB ALA A 65 -1.853 -9.760 1.381 1.00 64.40 C ATOM 0 H ALA A 65 -0.570 -11.069 3.065 1.00 44.42 H new ATOM 0 HA ALA A 65 -0.400 -10.768 0.210 1.00 1.51 H new ATOM 0 HB1 ALA A 65 -2.135 -9.073 0.583 1.00 64.40 H new ATOM 0 HB2 ALA A 65 -2.527 -10.616 1.378 1.00 64.40 H new ATOM 0 HB3 ALA A 65 -1.921 -9.248 2.341 1.00 64.40 H new ATOM 1024 N LEU A 66 1.304 -8.791 2.129 1.00 12.41 N ATOM 1025 CA LEU A 66 2.390 -7.813 2.028 1.00 73.13 C ATOM 1026 C LEU A 66 3.550 -8.381 1.227 1.00 3.10 C ATOM 1027 O LEU A 66 4.341 -7.635 0.656 1.00 50.51 O ATOM 1028 CB LEU A 66 2.888 -7.232 3.388 1.00 15.14 C ATOM 1029 CG LEU A 66 3.266 -8.178 4.560 1.00 34.40 C ATOM 1030 CD1 LEU A 66 2.028 -8.681 5.286 1.00 72.50 C ATOM 1031 CD2 LEU A 66 4.118 -9.351 4.107 1.00 52.05 C ATOM 0 H LEU A 66 1.193 -9.220 3.048 1.00 12.41 H new ATOM 0 HA LEU A 66 1.956 -6.962 1.502 1.00 73.13 H new ATOM 0 HB2 LEU A 66 3.764 -6.619 3.174 1.00 15.14 H new ATOM 0 HB3 LEU A 66 2.111 -6.561 3.754 1.00 15.14 H new ATOM 0 HG LEU A 66 3.863 -7.584 5.252 1.00 34.40 H new ATOM 0 HD11 LEU A 66 2.327 -9.341 6.101 1.00 72.50 H new ATOM 0 HD12 LEU A 66 1.474 -7.834 5.690 1.00 72.50 H new ATOM 0 HD13 LEU A 66 1.395 -9.230 4.589 1.00 72.50 H new ATOM 0 HD21 LEU A 66 4.355 -9.981 4.964 1.00 52.05 H new ATOM 0 HD22 LEU A 66 3.570 -9.935 3.368 1.00 52.05 H new ATOM 0 HD23 LEU A 66 5.042 -8.980 3.664 1.00 52.05 H new ATOM 1043 N ASP A 67 3.639 -9.703 1.170 1.00 52.02 N ATOM 1044 CA ASP A 67 4.648 -10.351 0.348 1.00 40.13 C ATOM 1045 C ASP A 67 4.338 -10.051 -1.101 1.00 70.00 C ATOM 1046 O ASP A 67 5.165 -9.503 -1.829 1.00 73.24 O ATOM 1047 CB ASP A 67 4.673 -11.860 0.598 1.00 73.13 C ATOM 1048 CG ASP A 67 5.655 -12.586 -0.297 1.00 23.01 C ATOM 1049 OD1 ASP A 67 6.847 -12.667 0.067 1.00 61.44 O ATOM 1050 OD2 ASP A 67 5.239 -13.086 -1.362 1.00 54.50 O ATOM 0 H ASP A 67 3.029 -10.342 1.680 1.00 52.02 H new ATOM 0 HA ASP A 67 5.636 -9.968 0.605 1.00 40.13 H new ATOM 0 HB2 ASP A 67 4.931 -12.047 1.640 1.00 73.13 H new ATOM 0 HB3 ASP A 67 3.674 -12.267 0.439 1.00 73.13 H new ATOM 1055 N ALA A 68 3.109 -10.367 -1.496 1.00 14.14 N ATOM 1056 CA ALA A 68 2.630 -10.023 -2.831 1.00 24.34 C ATOM 1057 C ALA A 68 2.647 -8.505 -3.027 1.00 14.23 C ATOM 1058 O ALA A 68 2.993 -8.003 -4.106 1.00 44.14 O ATOM 1059 CB ALA A 68 1.229 -10.573 -3.051 1.00 53.50 C ATOM 0 H ALA A 68 2.430 -10.858 -0.915 1.00 14.14 H new ATOM 0 HA ALA A 68 3.296 -10.475 -3.566 1.00 24.34 H new ATOM 0 HB1 ALA A 68 0.887 -10.308 -4.051 1.00 53.50 H new ATOM 0 HB2 ALA A 68 1.244 -11.658 -2.949 1.00 53.50 H new ATOM 0 HB3 ALA A 68 0.551 -10.148 -2.311 1.00 53.50 H new ATOM 1065 N LEU A 69 2.290 -7.787 -1.963 1.00 52.44 N ATOM 1066 CA LEU A 69 2.266 -6.332 -1.973 1.00 64.40 C ATOM 1067 C LEU A 69 3.620 -5.783 -2.379 1.00 41.10 C ATOM 1068 O LEU A 69 3.711 -5.073 -3.364 1.00 24.22 O ATOM 1069 CB LEU A 69 1.841 -5.789 -0.593 1.00 52.13 C ATOM 1070 CG LEU A 69 1.651 -4.265 -0.463 1.00 13.12 C ATOM 1071 CD1 LEU A 69 2.973 -3.563 -0.203 1.00 43.12 C ATOM 1072 CD2 LEU A 69 0.980 -3.691 -1.703 1.00 4.32 C ATOM 0 H LEU A 69 2.010 -8.200 -1.073 1.00 52.44 H new ATOM 0 HA LEU A 69 1.532 -6.001 -2.707 1.00 64.40 H new ATOM 0 HB2 LEU A 69 0.904 -6.271 -0.314 1.00 52.13 H new ATOM 0 HB3 LEU A 69 2.589 -6.100 0.137 1.00 52.13 H new ATOM 0 HG LEU A 69 1.000 -4.089 0.394 1.00 13.12 H new ATOM 0 HD11 LEU A 69 2.804 -2.490 -0.116 1.00 43.12 H new ATOM 0 HD12 LEU A 69 3.408 -3.938 0.724 1.00 43.12 H new ATOM 0 HD13 LEU A 69 3.657 -3.757 -1.029 1.00 43.12 H new ATOM 0 HD21 LEU A 69 0.858 -2.614 -1.585 1.00 4.32 H new ATOM 0 HD22 LEU A 69 1.599 -3.892 -2.578 1.00 4.32 H new ATOM 0 HD23 LEU A 69 0.002 -4.155 -1.835 1.00 4.32 H new ATOM 1084 N ASP A 70 4.672 -6.126 -1.645 1.00 55.45 N ATOM 1085 CA ASP A 70 5.991 -5.581 -1.938 1.00 32.44 C ATOM 1086 C ASP A 70 6.530 -6.076 -3.261 1.00 11.31 C ATOM 1087 O ASP A 70 7.379 -5.423 -3.845 1.00 32.12 O ATOM 1088 CB ASP A 70 7.011 -5.883 -0.850 1.00 32.24 C ATOM 1089 CG ASP A 70 6.976 -4.863 0.273 1.00 33.31 C ATOM 1090 OD1 ASP A 70 7.678 -3.829 0.162 1.00 61.00 O ATOM 1091 OD2 ASP A 70 6.245 -5.078 1.256 1.00 71.34 O ATOM 0 H ASP A 70 4.639 -6.769 -0.854 1.00 55.45 H new ATOM 0 HA ASP A 70 5.845 -4.502 -1.987 1.00 32.44 H new ATOM 0 HB2 ASP A 70 6.820 -6.876 -0.442 1.00 32.24 H new ATOM 0 HB3 ASP A 70 8.009 -5.904 -1.287 1.00 32.24 H new ATOM 1096 N GLN A 71 6.067 -7.221 -3.737 1.00 35.13 N ATOM 1097 CA GLN A 71 6.507 -7.691 -5.042 1.00 12.51 C ATOM 1098 C GLN A 71 6.162 -6.658 -6.099 1.00 15.11 C ATOM 1099 O GLN A 71 7.044 -6.120 -6.778 1.00 61.02 O ATOM 1100 CB GLN A 71 5.882 -9.040 -5.397 1.00 74.32 C ATOM 1101 CG GLN A 71 6.310 -10.160 -4.470 1.00 23.12 C ATOM 1102 CD GLN A 71 7.804 -10.166 -4.227 1.00 0.40 C ATOM 1103 OE1 GLN A 71 8.565 -10.810 -4.952 1.00 64.05 O ATOM 1104 NE2 GLN A 71 8.230 -9.438 -3.207 1.00 44.13 N ATOM 0 H GLN A 71 5.404 -7.829 -3.255 1.00 35.13 H new ATOM 0 HA GLN A 71 7.587 -7.830 -5.005 1.00 12.51 H new ATOM 0 HB2 GLN A 71 4.796 -8.949 -5.368 1.00 74.32 H new ATOM 0 HB3 GLN A 71 6.153 -9.301 -6.420 1.00 74.32 H new ATOM 0 HG2 GLN A 71 5.790 -10.059 -3.518 1.00 23.12 H new ATOM 0 HG3 GLN A 71 6.010 -11.117 -4.897 1.00 23.12 H new ATOM 0 HE21 GLN A 71 7.562 -8.922 -2.635 1.00 44.13 H new ATOM 0 HE22 GLN A 71 9.226 -9.393 -2.993 1.00 44.13 H new ATOM 1113 N LEU A 72 4.882 -6.342 -6.194 1.00 61.40 N ATOM 1114 CA LEU A 72 4.421 -5.365 -7.161 1.00 52.31 C ATOM 1115 C LEU A 72 4.756 -3.942 -6.713 1.00 0.44 C ATOM 1116 O LEU A 72 5.152 -3.112 -7.518 1.00 60.42 O ATOM 1117 CB LEU A 72 2.921 -5.537 -7.406 1.00 54.41 C ATOM 1118 CG LEU A 72 2.040 -5.543 -6.154 1.00 22.03 C ATOM 1119 CD1 LEU A 72 1.587 -4.135 -5.800 1.00 60.12 C ATOM 1120 CD2 LEU A 72 0.851 -6.462 -6.353 1.00 12.51 C ATOM 0 H LEU A 72 4.147 -6.747 -5.615 1.00 61.40 H new ATOM 0 HA LEU A 72 4.943 -5.535 -8.103 1.00 52.31 H new ATOM 0 HB2 LEU A 72 2.584 -4.734 -8.061 1.00 54.41 H new ATOM 0 HB3 LEU A 72 2.764 -6.473 -7.943 1.00 54.41 H new ATOM 0 HG LEU A 72 2.631 -5.920 -5.319 1.00 22.03 H new ATOM 0 HD11 LEU A 72 0.963 -4.167 -4.907 1.00 60.12 H new ATOM 0 HD12 LEU A 72 2.459 -3.509 -5.611 1.00 60.12 H new ATOM 0 HD13 LEU A 72 1.014 -3.718 -6.628 1.00 60.12 H new ATOM 0 HD21 LEU A 72 0.233 -6.457 -5.455 1.00 12.51 H new ATOM 0 HD22 LEU A 72 0.261 -6.115 -7.202 1.00 12.51 H new ATOM 0 HD23 LEU A 72 1.203 -7.476 -6.546 1.00 12.51 H new ATOM 1132 N ARG A 73 4.627 -3.672 -5.424 1.00 21.43 N ATOM 1133 CA ARG A 73 4.906 -2.340 -4.900 1.00 75.03 C ATOM 1134 C ARG A 73 6.349 -1.972 -5.182 1.00 75.43 C ATOM 1135 O ARG A 73 6.644 -0.872 -5.607 1.00 32.21 O ATOM 1136 CB ARG A 73 4.643 -2.258 -3.395 1.00 15.32 C ATOM 1137 CG ARG A 73 4.777 -0.848 -2.844 1.00 5.40 C ATOM 1138 CD ARG A 73 5.214 -0.848 -1.390 1.00 32.41 C ATOM 1139 NE ARG A 73 6.465 -1.584 -1.187 1.00 34.23 N ATOM 1140 CZ ARG A 73 7.633 -1.278 -1.761 1.00 65.33 C ATOM 1141 NH1 ARG A 73 7.745 -0.222 -2.563 1.00 35.00 N ATOM 1142 NH2 ARG A 73 8.689 -2.038 -1.520 1.00 63.22 N ATOM 0 H ARG A 73 4.333 -4.352 -4.723 1.00 21.43 H new ATOM 0 HA ARG A 73 4.237 -1.639 -5.398 1.00 75.03 H new ATOM 0 HB2 ARG A 73 3.640 -2.630 -3.186 1.00 15.32 H new ATOM 0 HB3 ARG A 73 5.341 -2.914 -2.874 1.00 15.32 H new ATOM 0 HG2 ARG A 73 5.500 -0.292 -3.441 1.00 5.40 H new ATOM 0 HG3 ARG A 73 3.823 -0.330 -2.936 1.00 5.40 H new ATOM 0 HD2 ARG A 73 5.340 0.180 -1.051 1.00 32.41 H new ATOM 0 HD3 ARG A 73 4.430 -1.292 -0.777 1.00 32.41 H new ATOM 0 HE ARG A 73 6.443 -2.389 -0.561 1.00 34.23 H new ATOM 0 HH11 ARG A 73 6.933 0.367 -2.747 1.00 35.00 H new ATOM 0 HH12 ARG A 73 8.643 -0.002 -2.994 1.00 35.00 H new ATOM 0 HH21 ARG A 73 8.606 -2.846 -0.903 1.00 63.22 H new ATOM 0 HH22 ARG A 73 9.586 -1.816 -1.951 1.00 63.22 H new ATOM 1156 N THR A 74 7.243 -2.903 -4.950 1.00 61.42 N ATOM 1157 CA THR A 74 8.636 -2.687 -5.260 1.00 43.02 C ATOM 1158 C THR A 74 8.817 -2.386 -6.742 1.00 53.32 C ATOM 1159 O THR A 74 9.149 -1.263 -7.118 1.00 12.23 O ATOM 1160 CB THR A 74 9.483 -3.915 -4.872 1.00 73.32 C ATOM 1161 OG1 THR A 74 9.660 -3.960 -3.450 1.00 70.02 O ATOM 1162 CG2 THR A 74 10.829 -3.909 -5.565 1.00 71.31 C ATOM 0 H THR A 74 7.031 -3.816 -4.548 1.00 61.42 H new ATOM 0 HA THR A 74 8.976 -1.829 -4.680 1.00 43.02 H new ATOM 0 HB THR A 74 8.947 -4.806 -5.199 1.00 73.32 H new ATOM 0 HG1 THR A 74 8.919 -4.456 -3.044 1.00 70.02 H new ATOM 0 HG21 THR A 74 11.396 -4.790 -5.266 1.00 71.31 H new ATOM 0 HG22 THR A 74 10.682 -3.921 -6.645 1.00 71.31 H new ATOM 0 HG23 THR A 74 11.379 -3.011 -5.284 1.00 71.31 H new ATOM 1170 N GLU A 75 8.518 -3.362 -7.582 1.00 11.44 N ATOM 1171 CA GLU A 75 8.978 -3.322 -8.955 1.00 64.55 C ATOM 1172 C GLU A 75 8.047 -2.511 -9.870 1.00 33.53 C ATOM 1173 O GLU A 75 8.356 -2.298 -11.044 1.00 1.21 O ATOM 1174 CB GLU A 75 9.176 -4.756 -9.451 1.00 41.10 C ATOM 1175 CG GLU A 75 7.912 -5.451 -9.915 1.00 31.44 C ATOM 1176 CD GLU A 75 8.183 -6.844 -10.443 1.00 13.41 C ATOM 1177 OE1 GLU A 75 8.624 -6.962 -11.604 1.00 73.45 O ATOM 1178 OE2 GLU A 75 7.957 -7.822 -9.701 1.00 13.42 O ATOM 0 H GLU A 75 7.964 -4.183 -7.339 1.00 11.44 H new ATOM 0 HA GLU A 75 9.932 -2.797 -8.989 1.00 64.55 H new ATOM 0 HB2 GLU A 75 9.890 -4.745 -10.274 1.00 41.10 H new ATOM 0 HB3 GLU A 75 9.623 -5.344 -8.649 1.00 41.10 H new ATOM 0 HG2 GLU A 75 7.207 -5.510 -9.086 1.00 31.44 H new ATOM 0 HG3 GLU A 75 7.438 -4.855 -10.695 1.00 31.44 H new ATOM 1185 N LEU A 76 6.923 -2.041 -9.333 1.00 3.23 N ATOM 1186 CA LEU A 76 6.021 -1.163 -10.084 1.00 44.21 C ATOM 1187 C LEU A 76 6.103 0.273 -9.564 1.00 12.42 C ATOM 1188 O LEU A 76 6.244 1.218 -10.337 1.00 61.05 O ATOM 1189 CB LEU A 76 4.559 -1.644 -9.999 1.00 45.23 C ATOM 1190 CG LEU A 76 4.172 -2.858 -10.863 1.00 70.52 C ATOM 1191 CD1 LEU A 76 4.900 -4.115 -10.423 1.00 1.23 C ATOM 1192 CD2 LEU A 76 2.671 -3.084 -10.805 1.00 12.15 C ATOM 0 H LEU A 76 6.614 -2.251 -8.384 1.00 3.23 H new ATOM 0 HA LEU A 76 6.342 -1.195 -11.125 1.00 44.21 H new ATOM 0 HB2 LEU A 76 4.342 -1.885 -8.959 1.00 45.23 H new ATOM 0 HB3 LEU A 76 3.912 -0.812 -10.275 1.00 45.23 H new ATOM 0 HG LEU A 76 4.469 -2.641 -11.889 1.00 70.52 H new ATOM 0 HD11 LEU A 76 4.600 -4.950 -11.057 1.00 1.23 H new ATOM 0 HD12 LEU A 76 5.976 -3.962 -10.510 1.00 1.23 H new ATOM 0 HD13 LEU A 76 4.648 -4.338 -9.386 1.00 1.23 H new ATOM 0 HD21 LEU A 76 2.409 -3.945 -11.420 1.00 12.15 H new ATOM 0 HD22 LEU A 76 2.371 -3.269 -9.774 1.00 12.15 H new ATOM 0 HD23 LEU A 76 2.155 -2.200 -11.180 1.00 12.15 H new ATOM 1204 N LEU A 77 6.039 0.424 -8.243 1.00 15.31 N ATOM 1205 CA LEU A 77 5.984 1.744 -7.610 1.00 42.11 C ATOM 1206 C LEU A 77 7.321 2.481 -7.729 1.00 42.31 C ATOM 1207 O LEU A 77 7.349 3.710 -7.791 1.00 45.33 O ATOM 1208 CB LEU A 77 5.529 1.587 -6.142 1.00 34.43 C ATOM 1209 CG LEU A 77 5.736 2.767 -5.187 1.00 72.15 C ATOM 1210 CD1 LEU A 77 4.758 2.662 -4.030 1.00 5.11 C ATOM 1211 CD2 LEU A 77 7.157 2.791 -4.639 1.00 11.21 C ATOM 0 H LEU A 77 6.024 -0.355 -7.585 1.00 15.31 H new ATOM 0 HA LEU A 77 5.254 2.362 -8.132 1.00 42.11 H new ATOM 0 HB2 LEU A 77 4.466 1.346 -6.147 1.00 34.43 H new ATOM 0 HB3 LEU A 77 6.049 0.725 -5.723 1.00 34.43 H new ATOM 0 HG LEU A 77 5.564 3.688 -5.744 1.00 72.15 H new ATOM 0 HD11 LEU A 77 4.906 3.502 -3.351 1.00 5.11 H new ATOM 0 HD12 LEU A 77 3.738 2.681 -4.413 1.00 5.11 H new ATOM 0 HD13 LEU A 77 4.927 1.728 -3.494 1.00 5.11 H new ATOM 0 HD21 LEU A 77 7.273 3.640 -3.965 1.00 11.21 H new ATOM 0 HD22 LEU A 77 7.353 1.867 -4.096 1.00 11.21 H new ATOM 0 HD23 LEU A 77 7.864 2.884 -5.464 1.00 11.21 H new ATOM 1223 N ARG A 78 8.427 1.742 -7.804 1.00 0.43 N ATOM 1224 CA ARG A 78 9.752 2.366 -7.884 1.00 12.15 C ATOM 1225 C ARG A 78 10.002 3.006 -9.260 1.00 15.11 C ATOM 1226 O ARG A 78 11.128 3.387 -9.583 1.00 14.43 O ATOM 1227 CB ARG A 78 10.854 1.342 -7.574 1.00 44.55 C ATOM 1228 CG ARG A 78 11.055 0.295 -8.660 1.00 14.24 C ATOM 1229 CD ARG A 78 12.176 -0.668 -8.306 1.00 33.25 C ATOM 1230 NE ARG A 78 13.457 0.024 -8.156 1.00 3.12 N ATOM 1231 CZ ARG A 78 14.559 -0.278 -8.844 1.00 13.41 C ATOM 1232 NH1 ARG A 78 14.548 -1.254 -9.739 1.00 14.41 N ATOM 1233 NH2 ARG A 78 15.682 0.399 -8.635 1.00 43.14 N ATOM 0 H ARG A 78 8.436 0.722 -7.811 1.00 0.43 H new ATOM 0 HA ARG A 78 9.779 3.158 -7.136 1.00 12.15 H new ATOM 0 HB2 ARG A 78 11.793 1.872 -7.417 1.00 44.55 H new ATOM 0 HB3 ARG A 78 10.613 0.837 -6.638 1.00 44.55 H new ATOM 0 HG2 ARG A 78 10.129 -0.261 -8.806 1.00 14.24 H new ATOM 0 HG3 ARG A 78 11.283 0.789 -9.605 1.00 14.24 H new ATOM 0 HD2 ARG A 78 11.931 -1.186 -7.379 1.00 33.25 H new ATOM 0 HD3 ARG A 78 12.262 -1.428 -9.083 1.00 33.25 H new ATOM 0 HE ARG A 78 13.510 0.787 -7.481 1.00 3.12 H new ATOM 0 HH11 ARG A 78 13.692 -1.782 -9.907 1.00 14.41 H new ATOM 0 HH12 ARG A 78 15.396 -1.478 -10.260 1.00 14.41 H new ATOM 0 HH21 ARG A 78 15.703 1.152 -7.947 1.00 43.14 H new ATOM 0 HH22 ARG A 78 16.523 0.166 -9.162 1.00 43.14 H new ATOM 1247 N ARG A 79 8.951 3.140 -10.063 1.00 1.14 N ATOM 1248 CA ARG A 79 9.079 3.721 -11.394 1.00 15.30 C ATOM 1249 C ARG A 79 8.739 5.209 -11.406 1.00 73.13 C ATOM 1250 O ARG A 79 9.282 5.965 -12.210 1.00 14.11 O ATOM 1251 CB ARG A 79 8.184 2.987 -12.394 1.00 63.10 C ATOM 1252 CG ARG A 79 8.563 1.529 -12.614 1.00 61.52 C ATOM 1253 CD ARG A 79 10.035 1.377 -12.964 1.00 14.34 C ATOM 1254 NE ARG A 79 10.425 2.178 -14.127 1.00 35.35 N ATOM 1255 CZ ARG A 79 11.487 1.913 -14.884 1.00 61.25 C ATOM 1256 NH1 ARG A 79 12.227 0.838 -14.638 1.00 35.35 N ATOM 1257 NH2 ARG A 79 11.802 2.717 -15.895 1.00 40.32 N ATOM 0 H ARG A 79 8.003 2.855 -9.816 1.00 1.14 H new ATOM 0 HA ARG A 79 10.123 3.609 -11.687 1.00 15.30 H new ATOM 0 HB2 ARG A 79 7.152 3.034 -12.045 1.00 63.10 H new ATOM 0 HB3 ARG A 79 8.221 3.509 -13.350 1.00 63.10 H new ATOM 0 HG2 ARG A 79 8.342 0.956 -11.714 1.00 61.52 H new ATOM 0 HG3 ARG A 79 7.953 1.111 -13.415 1.00 61.52 H new ATOM 0 HD2 ARG A 79 10.640 1.670 -12.106 1.00 14.34 H new ATOM 0 HD3 ARG A 79 10.251 0.327 -13.162 1.00 14.34 H new ATOM 0 HE ARG A 79 9.850 2.985 -14.370 1.00 35.35 H new ATOM 0 HH11 ARG A 79 11.981 0.215 -13.869 1.00 35.35 H new ATOM 0 HH12 ARG A 79 13.041 0.635 -15.219 1.00 35.35 H new ATOM 0 HH21 ARG A 79 11.229 3.538 -16.091 1.00 40.32 H new ATOM 0 HH22 ARG A 79 12.616 2.513 -16.474 1.00 40.32 H new ATOM 1271 N GLY A 80 7.851 5.634 -10.518 1.00 21.03 N ATOM 1272 CA GLY A 80 7.389 7.009 -10.558 1.00 24.41 C ATOM 1273 C GLY A 80 7.242 7.633 -9.189 1.00 53.41 C ATOM 1274 O GLY A 80 7.798 7.138 -8.207 1.00 44.14 O ATOM 0 H GLY A 80 7.446 5.060 -9.779 1.00 21.03 H new ATOM 0 HA2 GLY A 80 8.089 7.603 -11.146 1.00 24.41 H new ATOM 0 HA3 GLY A 80 6.428 7.047 -11.071 1.00 24.41 H new ATOM 1278 N ILE A 81 6.492 8.727 -9.130 1.00 42.53 N ATOM 1279 CA ILE A 81 6.262 9.435 -7.881 1.00 24.44 C ATOM 1280 C ILE A 81 5.088 8.807 -7.114 1.00 43.24 C ATOM 1281 O ILE A 81 3.929 9.227 -7.210 1.00 35.22 O ATOM 1282 CB ILE A 81 6.052 10.958 -8.116 1.00 50.15 C ATOM 1283 CG1 ILE A 81 5.672 11.678 -6.814 1.00 75.43 C ATOM 1284 CG2 ILE A 81 5.011 11.205 -9.201 1.00 33.43 C ATOM 1285 CD1 ILE A 81 6.753 11.630 -5.753 1.00 75.20 C ATOM 0 H ILE A 81 6.031 9.143 -9.939 1.00 42.53 H new ATOM 0 HA ILE A 81 7.155 9.334 -7.265 1.00 24.44 H new ATOM 0 HB ILE A 81 7.000 11.373 -8.458 1.00 50.15 H new ATOM 0 HG12 ILE A 81 5.442 12.719 -7.039 1.00 75.43 H new ATOM 0 HG13 ILE A 81 4.762 11.230 -6.414 1.00 75.43 H new ATOM 0 HG21 ILE A 81 4.883 12.278 -9.345 1.00 33.43 H new ATOM 0 HG22 ILE A 81 5.343 10.750 -10.134 1.00 33.43 H new ATOM 0 HG23 ILE A 81 4.061 10.764 -8.901 1.00 33.43 H new ATOM 0 HD11 ILE A 81 6.413 12.159 -4.863 1.00 75.20 H new ATOM 0 HD12 ILE A 81 6.967 10.592 -5.499 1.00 75.20 H new ATOM 0 HD13 ILE A 81 7.658 12.104 -6.133 1.00 75.20 H new ATOM 1297 N VAL A 82 5.409 7.758 -6.386 1.00 64.43 N ATOM 1298 CA VAL A 82 4.433 7.022 -5.614 1.00 71.22 C ATOM 1299 C VAL A 82 5.125 6.340 -4.444 1.00 5.22 C ATOM 1300 O VAL A 82 6.259 5.882 -4.574 1.00 32.32 O ATOM 1301 CB VAL A 82 3.683 5.991 -6.493 1.00 73.41 C ATOM 1302 CG1 VAL A 82 4.648 5.215 -7.376 1.00 34.54 C ATOM 1303 CG2 VAL A 82 2.854 5.039 -5.641 1.00 43.24 C ATOM 0 H VAL A 82 6.358 7.391 -6.314 1.00 64.43 H new ATOM 0 HA VAL A 82 3.688 7.720 -5.231 1.00 71.22 H new ATOM 0 HB VAL A 82 3.003 6.546 -7.139 1.00 73.41 H new ATOM 0 HG11 VAL A 82 4.092 4.499 -7.981 1.00 34.54 H new ATOM 0 HG12 VAL A 82 5.180 5.907 -8.029 1.00 34.54 H new ATOM 0 HG13 VAL A 82 5.365 4.682 -6.751 1.00 34.54 H new ATOM 0 HG21 VAL A 82 2.339 4.327 -6.287 1.00 43.24 H new ATOM 0 HG22 VAL A 82 3.508 4.500 -4.956 1.00 43.24 H new ATOM 0 HG23 VAL A 82 2.120 5.607 -5.070 1.00 43.24 H new ATOM 1313 N PHE A 83 4.465 6.314 -3.295 1.00 2.14 N ATOM 1314 CA PHE A 83 5.054 5.714 -2.101 1.00 32.25 C ATOM 1315 C PHE A 83 4.047 4.819 -1.384 1.00 70.12 C ATOM 1316 O PHE A 83 2.962 4.544 -1.901 1.00 54.04 O ATOM 1317 CB PHE A 83 5.584 6.803 -1.155 1.00 53.04 C ATOM 1318 CG PHE A 83 6.804 7.509 -1.670 1.00 31.15 C ATOM 1319 CD1 PHE A 83 8.059 6.941 -1.519 1.00 22.24 C ATOM 1320 CD2 PHE A 83 6.700 8.740 -2.299 1.00 72.32 C ATOM 1321 CE1 PHE A 83 9.187 7.585 -1.986 1.00 40.35 C ATOM 1322 CE2 PHE A 83 7.825 9.388 -2.768 1.00 71.03 C ATOM 1323 CZ PHE A 83 9.069 8.812 -2.611 1.00 31.43 C ATOM 0 H PHE A 83 3.529 6.697 -3.162 1.00 2.14 H new ATOM 0 HA PHE A 83 5.893 5.092 -2.414 1.00 32.25 H new ATOM 0 HB2 PHE A 83 4.796 7.537 -0.983 1.00 53.04 H new ATOM 0 HB3 PHE A 83 5.816 6.352 -0.190 1.00 53.04 H new ATOM 0 HD1 PHE A 83 8.156 5.983 -1.030 1.00 22.24 H new ATOM 0 HD2 PHE A 83 5.729 9.197 -2.423 1.00 72.32 H new ATOM 0 HE1 PHE A 83 10.159 7.131 -1.863 1.00 40.35 H new ATOM 0 HE2 PHE A 83 7.731 10.346 -3.258 1.00 71.03 H new ATOM 0 HZ PHE A 83 9.950 9.320 -2.976 1.00 31.43 H new ATOM 1333 N ALA A 84 4.417 4.342 -0.204 1.00 54.11 N ATOM 1334 CA ALA A 84 3.544 3.485 0.585 1.00 40.31 C ATOM 1335 C ALA A 84 3.854 3.621 2.065 1.00 44.10 C ATOM 1336 O ALA A 84 5.010 3.811 2.446 1.00 60.50 O ATOM 1337 CB ALA A 84 3.696 2.040 0.156 1.00 52.03 C ATOM 0 H ALA A 84 5.320 4.535 0.229 1.00 54.11 H new ATOM 0 HA ALA A 84 2.514 3.799 0.415 1.00 40.31 H new ATOM 0 HB1 ALA A 84 3.037 1.411 0.755 1.00 52.03 H new ATOM 0 HB2 ALA A 84 3.431 1.943 -0.897 1.00 52.03 H new ATOM 0 HB3 ALA A 84 4.729 1.724 0.301 1.00 52.03 H new ATOM 1343 N MET A 85 2.832 3.525 2.900 1.00 73.33 N ATOM 1344 CA MET A 85 3.025 3.659 4.337 1.00 34.41 C ATOM 1345 C MET A 85 2.213 2.649 5.137 1.00 54.25 C ATOM 1346 O MET A 85 1.041 2.398 4.846 1.00 25.04 O ATOM 1347 CB MET A 85 2.665 5.066 4.804 1.00 33.24 C ATOM 1348 CG MET A 85 1.398 5.618 4.166 1.00 63.14 C ATOM 1349 SD MET A 85 0.398 6.587 5.309 1.00 34.32 S ATOM 1350 CE MET A 85 -0.220 5.273 6.358 1.00 72.33 C ATOM 0 H MET A 85 1.868 3.356 2.612 1.00 73.33 H new ATOM 0 HA MET A 85 4.082 3.463 4.519 1.00 34.41 H new ATOM 0 HB2 MET A 85 2.542 5.059 5.887 1.00 33.24 H new ATOM 0 HB3 MET A 85 3.495 5.737 4.581 1.00 33.24 H new ATOM 0 HG2 MET A 85 1.669 6.239 3.312 1.00 63.14 H new ATOM 0 HG3 MET A 85 0.801 4.791 3.782 1.00 63.14 H new ATOM 0 HE1 MET A 85 -1.287 5.415 6.529 1.00 72.33 H new ATOM 0 HE2 MET A 85 -0.056 4.311 5.872 1.00 72.33 H new ATOM 0 HE3 MET A 85 0.306 5.292 7.312 1.00 72.33 H new ATOM 1360 N ALA A 86 2.861 2.088 6.148 1.00 73.03 N ATOM 1361 CA ALA A 86 2.204 1.259 7.142 1.00 34.12 C ATOM 1362 C ALA A 86 1.852 2.124 8.350 1.00 12.42 C ATOM 1363 O ALA A 86 2.079 3.341 8.325 1.00 74.05 O ATOM 1364 CB ALA A 86 3.110 0.107 7.536 1.00 35.44 C ATOM 0 H ALA A 86 3.864 2.197 6.300 1.00 73.03 H new ATOM 0 HA ALA A 86 1.287 0.835 6.732 1.00 34.12 H new ATOM 0 HB1 ALA A 86 2.610 -0.510 8.282 1.00 35.44 H new ATOM 0 HB2 ALA A 86 3.334 -0.497 6.657 1.00 35.44 H new ATOM 0 HB3 ALA A 86 4.038 0.500 7.953 1.00 35.44 H new ATOM 1370 N ARG A 87 1.323 1.534 9.414 1.00 30.03 N ATOM 1371 CA ARG A 87 0.850 2.352 10.522 1.00 34.12 C ATOM 1372 C ARG A 87 1.058 1.709 11.897 1.00 72.34 C ATOM 1373 O ARG A 87 0.987 2.404 12.912 1.00 0.13 O ATOM 1374 CB ARG A 87 -0.625 2.719 10.304 1.00 42.34 C ATOM 1375 CG ARG A 87 -1.582 1.539 10.348 1.00 0.11 C ATOM 1376 CD ARG A 87 -2.288 1.452 11.688 1.00 73.10 C ATOM 1377 NE ARG A 87 -3.083 2.649 11.960 1.00 35.20 N ATOM 1378 CZ ARG A 87 -3.052 3.330 13.103 1.00 65.55 C ATOM 1379 NH1 ARG A 87 -2.234 2.962 14.083 1.00 14.12 N ATOM 1380 NH2 ARG A 87 -3.825 4.395 13.253 1.00 15.55 N ATOM 0 H ARG A 87 1.213 0.527 9.533 1.00 30.03 H new ATOM 0 HA ARG A 87 1.459 3.256 10.529 1.00 34.12 H new ATOM 0 HB2 ARG A 87 -0.923 3.441 11.065 1.00 42.34 H new ATOM 0 HB3 ARG A 87 -0.724 3.215 9.338 1.00 42.34 H new ATOM 0 HG2 ARG A 87 -2.320 1.636 9.551 1.00 0.11 H new ATOM 0 HG3 ARG A 87 -1.033 0.616 10.163 1.00 0.11 H new ATOM 0 HD2 ARG A 87 -2.935 0.575 11.702 1.00 73.10 H new ATOM 0 HD3 ARG A 87 -1.551 1.317 12.480 1.00 73.10 H new ATOM 0 HE ARG A 87 -3.704 2.985 11.223 1.00 35.20 H new ATOM 0 HH11 ARG A 87 -1.625 2.153 13.962 1.00 14.12 H new ATOM 0 HH12 ARG A 87 -2.215 3.488 14.956 1.00 14.12 H new ATOM 0 HH21 ARG A 87 -4.440 4.690 12.495 1.00 15.55 H new ATOM 0 HH22 ARG A 87 -3.805 4.921 14.127 1.00 15.55 H new ATOM 1394 N VAL A 88 1.305 0.406 11.955 1.00 14.45 N ATOM 1395 CA VAL A 88 1.500 -0.258 13.247 1.00 11.34 C ATOM 1396 C VAL A 88 2.628 -1.281 13.212 1.00 21.44 C ATOM 1397 O VAL A 88 3.282 -1.472 12.193 1.00 64.14 O ATOM 1398 CB VAL A 88 0.214 -0.938 13.763 1.00 14.32 C ATOM 1399 CG1 VAL A 88 -0.662 0.050 14.514 1.00 24.15 C ATOM 1400 CG2 VAL A 88 -0.557 -1.554 12.615 1.00 21.21 C ATOM 0 H VAL A 88 1.375 -0.206 11.142 1.00 14.45 H new ATOM 0 HA VAL A 88 1.773 0.540 13.937 1.00 11.34 H new ATOM 0 HB VAL A 88 0.506 -1.728 14.454 1.00 14.32 H new ATOM 0 HG11 VAL A 88 -1.561 -0.456 14.866 1.00 24.15 H new ATOM 0 HG12 VAL A 88 -0.112 0.449 15.366 1.00 24.15 H new ATOM 0 HG13 VAL A 88 -0.942 0.867 13.849 1.00 24.15 H new ATOM 0 HG21 VAL A 88 -1.461 -2.029 12.997 1.00 21.21 H new ATOM 0 HG22 VAL A 88 -0.830 -0.777 11.901 1.00 21.21 H new ATOM 0 HG23 VAL A 88 0.063 -2.300 12.119 1.00 21.21 H new ATOM 1410 N LYS A 89 2.823 -1.958 14.340 1.00 32.00 N ATOM 1411 CA LYS A 89 3.984 -2.820 14.557 1.00 64.42 C ATOM 1412 C LYS A 89 3.826 -4.224 13.959 1.00 32.31 C ATOM 1413 O LYS A 89 4.304 -5.204 14.530 1.00 44.41 O ATOM 1414 CB LYS A 89 4.284 -2.909 16.063 1.00 23.33 C ATOM 1415 CG LYS A 89 3.049 -2.996 16.961 1.00 10.21 C ATOM 1416 CD LYS A 89 2.292 -4.307 16.794 1.00 22.23 C ATOM 1417 CE LYS A 89 1.081 -4.372 17.714 1.00 35.13 C ATOM 1418 NZ LYS A 89 1.465 -4.375 19.149 1.00 21.11 N ATOM 0 H LYS A 89 2.180 -1.925 15.131 1.00 32.00 H new ATOM 0 HA LYS A 89 4.822 -2.362 14.031 1.00 64.42 H new ATOM 0 HB2 LYS A 89 4.909 -3.784 16.243 1.00 23.33 H new ATOM 0 HB3 LYS A 89 4.867 -2.035 16.355 1.00 23.33 H new ATOM 0 HG2 LYS A 89 3.353 -2.887 18.002 1.00 10.21 H new ATOM 0 HG3 LYS A 89 2.381 -2.164 16.735 1.00 10.21 H new ATOM 0 HD2 LYS A 89 1.970 -4.413 15.758 1.00 22.23 H new ATOM 0 HD3 LYS A 89 2.958 -5.143 17.008 1.00 22.23 H new ATOM 0 HE2 LYS A 89 0.430 -3.520 17.516 1.00 35.13 H new ATOM 0 HE3 LYS A 89 0.506 -5.271 17.492 1.00 35.13 H new ATOM 0 HZ1 LYS A 89 0.638 -4.623 19.729 1.00 21.11 H new ATOM 0 HZ2 LYS A 89 2.219 -5.074 19.305 1.00 21.11 H new ATOM 0 HZ3 LYS A 89 1.807 -3.431 19.419 1.00 21.11 H new ATOM 1432 N GLN A 90 3.198 -4.322 12.799 1.00 72.21 N ATOM 1433 CA GLN A 90 3.099 -5.600 12.111 1.00 75.33 C ATOM 1434 C GLN A 90 3.341 -5.418 10.622 1.00 31.21 C ATOM 1435 O GLN A 90 4.277 -5.999 10.061 1.00 43.24 O ATOM 1436 CB GLN A 90 1.730 -6.247 12.338 1.00 13.40 C ATOM 1437 CG GLN A 90 1.668 -7.685 11.850 1.00 43.14 C ATOM 1438 CD GLN A 90 0.306 -8.322 12.039 1.00 32.14 C ATOM 1439 OE1 GLN A 90 0.202 -9.523 12.278 1.00 1.00 O ATOM 1440 NE2 GLN A 90 -0.745 -7.528 11.923 1.00 31.23 N ATOM 0 H GLN A 90 2.753 -3.541 12.317 1.00 72.21 H new ATOM 0 HA GLN A 90 3.863 -6.260 12.522 1.00 75.33 H new ATOM 0 HB2 GLN A 90 1.492 -6.219 13.401 1.00 13.40 H new ATOM 0 HB3 GLN A 90 0.967 -5.661 11.825 1.00 13.40 H new ATOM 0 HG2 GLN A 90 1.932 -7.715 10.793 1.00 43.14 H new ATOM 0 HG3 GLN A 90 2.415 -8.275 12.382 1.00 43.14 H new ATOM 0 HE21 GLN A 90 -0.615 -6.536 11.724 1.00 31.23 H new ATOM 0 HE22 GLN A 90 -1.685 -7.907 12.033 1.00 31.23 H new ATOM 1449 N ASP A 91 2.502 -4.588 10.011 1.00 1.10 N ATOM 1450 CA ASP A 91 2.543 -4.322 8.574 1.00 5.32 C ATOM 1451 C ASP A 91 3.961 -4.074 8.081 1.00 23.30 C ATOM 1452 O ASP A 91 4.470 -4.819 7.248 1.00 64.42 O ATOM 1453 CB ASP A 91 1.652 -3.121 8.211 1.00 23.11 C ATOM 1454 CG ASP A 91 1.042 -2.435 9.423 1.00 51.32 C ATOM 1455 OD1 ASP A 91 0.218 -3.072 10.109 1.00 11.45 O ATOM 1456 OD2 ASP A 91 1.377 -1.258 9.690 1.00 55.03 O ATOM 0 H ASP A 91 1.768 -4.076 10.501 1.00 1.10 H new ATOM 0 HA ASP A 91 2.162 -5.215 8.078 1.00 5.32 H new ATOM 0 HB2 ASP A 91 2.242 -2.396 7.651 1.00 23.11 H new ATOM 0 HB3 ASP A 91 0.852 -3.458 7.552 1.00 23.11 H new ATOM 1461 N LEU A 92 4.615 -3.051 8.617 1.00 50.44 N ATOM 1462 CA LEU A 92 5.937 -2.671 8.129 1.00 42.20 C ATOM 1463 C LEU A 92 6.977 -3.758 8.402 1.00 31.14 C ATOM 1464 O LEU A 92 7.935 -3.895 7.655 1.00 5.15 O ATOM 1465 CB LEU A 92 6.383 -1.300 8.701 1.00 22.35 C ATOM 1466 CG LEU A 92 6.907 -1.226 10.156 1.00 54.12 C ATOM 1467 CD1 LEU A 92 6.020 -1.980 11.132 1.00 41.15 C ATOM 1468 CD2 LEU A 92 8.356 -1.692 10.262 1.00 73.30 C ATOM 0 H LEU A 92 4.259 -2.475 9.380 1.00 50.44 H new ATOM 0 HA LEU A 92 5.861 -2.564 7.047 1.00 42.20 H new ATOM 0 HB2 LEU A 92 7.166 -0.911 8.050 1.00 22.35 H new ATOM 0 HB3 LEU A 92 5.535 -0.619 8.622 1.00 22.35 H new ATOM 0 HG LEU A 92 6.873 -0.174 10.438 1.00 54.12 H new ATOM 0 HD11 LEU A 92 6.432 -1.896 12.138 1.00 41.15 H new ATOM 0 HD12 LEU A 92 5.016 -1.555 11.115 1.00 41.15 H new ATOM 0 HD13 LEU A 92 5.974 -3.031 10.845 1.00 41.15 H new ATOM 0 HD21 LEU A 92 8.685 -1.624 11.299 1.00 73.30 H new ATOM 0 HD22 LEU A 92 8.431 -2.726 9.924 1.00 73.30 H new ATOM 0 HD23 LEU A 92 8.988 -1.059 9.639 1.00 73.30 H new ATOM 1480 N ARG A 93 6.767 -4.558 9.441 1.00 15.11 N ATOM 1481 CA ARG A 93 7.770 -5.530 9.856 1.00 62.43 C ATOM 1482 C ARG A 93 7.896 -6.643 8.833 1.00 23.01 C ATOM 1483 O ARG A 93 8.995 -6.960 8.376 1.00 52.33 O ATOM 1484 CB ARG A 93 7.432 -6.108 11.231 1.00 74.05 C ATOM 1485 CG ARG A 93 7.607 -5.113 12.366 1.00 11.44 C ATOM 1486 CD ARG A 93 7.141 -5.686 13.693 1.00 15.34 C ATOM 1487 NE ARG A 93 7.850 -6.909 14.055 1.00 24.00 N ATOM 1488 CZ ARG A 93 7.281 -7.944 14.670 1.00 2.23 C ATOM 1489 NH1 ARG A 93 5.985 -7.910 14.965 1.00 41.34 N ATOM 1490 NH2 ARG A 93 8.011 -9.005 14.980 1.00 0.22 N ATOM 0 H ARG A 93 5.918 -4.553 10.007 1.00 15.11 H new ATOM 0 HA ARG A 93 8.728 -5.015 9.926 1.00 62.43 H new ATOM 0 HB2 ARG A 93 6.401 -6.462 11.224 1.00 74.05 H new ATOM 0 HB3 ARG A 93 8.065 -6.975 11.418 1.00 74.05 H new ATOM 0 HG2 ARG A 93 8.656 -4.828 12.441 1.00 11.44 H new ATOM 0 HG3 ARG A 93 7.045 -4.206 12.144 1.00 11.44 H new ATOM 0 HD2 ARG A 93 7.284 -4.942 14.476 1.00 15.34 H new ATOM 0 HD3 ARG A 93 6.072 -5.892 13.640 1.00 15.34 H new ATOM 0 HE ARG A 93 8.841 -6.975 13.823 1.00 24.00 H new ATOM 0 HH11 ARG A 93 5.428 -7.092 14.720 1.00 41.34 H new ATOM 0 HH12 ARG A 93 5.548 -8.702 15.436 1.00 41.34 H new ATOM 0 HH21 ARG A 93 9.004 -9.026 14.748 1.00 0.22 H new ATOM 0 HH22 ARG A 93 7.580 -9.800 15.451 1.00 0.22 H new ATOM 1504 N GLU A 94 6.772 -7.217 8.450 1.00 44.55 N ATOM 1505 CA GLU A 94 6.798 -8.303 7.489 1.00 31.24 C ATOM 1506 C GLU A 94 6.759 -7.785 6.055 1.00 11.03 C ATOM 1507 O GLU A 94 7.091 -8.515 5.124 1.00 30.23 O ATOM 1508 CB GLU A 94 5.694 -9.326 7.770 1.00 3.44 C ATOM 1509 CG GLU A 94 4.334 -8.739 8.104 1.00 24.31 C ATOM 1510 CD GLU A 94 3.494 -9.710 8.904 1.00 71.13 C ATOM 1511 OE1 GLU A 94 2.760 -10.513 8.296 1.00 74.24 O ATOM 1512 OE2 GLU A 94 3.601 -9.707 10.148 1.00 10.42 O ATOM 0 H GLU A 94 5.844 -6.956 8.783 1.00 44.55 H new ATOM 0 HA GLU A 94 7.748 -8.825 7.606 1.00 31.24 H new ATOM 0 HB2 GLU A 94 5.589 -9.971 6.898 1.00 3.44 H new ATOM 0 HB3 GLU A 94 6.011 -9.960 8.598 1.00 3.44 H new ATOM 0 HG2 GLU A 94 4.463 -7.816 8.670 1.00 24.31 H new ATOM 0 HG3 GLU A 94 3.813 -8.478 7.183 1.00 24.31 H new ATOM 1519 N SER A 95 6.374 -6.521 5.879 1.00 31.31 N ATOM 1520 CA SER A 95 6.540 -5.848 4.592 1.00 14.55 C ATOM 1521 C SER A 95 8.029 -5.670 4.311 1.00 41.15 C ATOM 1522 O SER A 95 8.510 -5.903 3.202 1.00 50.43 O ATOM 1523 CB SER A 95 5.829 -4.487 4.607 1.00 34.41 C ATOM 1524 OG SER A 95 6.087 -3.740 3.428 1.00 54.33 O ATOM 0 H SER A 95 5.948 -5.946 6.606 1.00 31.31 H new ATOM 0 HA SER A 95 6.094 -6.454 3.803 1.00 14.55 H new ATOM 0 HB2 SER A 95 4.755 -4.640 4.712 1.00 34.41 H new ATOM 0 HB3 SER A 95 6.156 -3.917 5.476 1.00 34.41 H new ATOM 0 HG SER A 95 5.746 -4.229 2.650 1.00 54.33 H new ATOM 1530 N LEU A 96 8.756 -5.271 5.345 1.00 21.21 N ATOM 1531 CA LEU A 96 10.201 -5.141 5.270 1.00 65.44 C ATOM 1532 C LEU A 96 10.843 -6.489 4.956 1.00 63.22 C ATOM 1533 O LEU A 96 11.730 -6.581 4.107 1.00 32.13 O ATOM 1534 CB LEU A 96 10.735 -4.596 6.593 1.00 14.33 C ATOM 1535 CG LEU A 96 11.183 -3.125 6.584 1.00 13.12 C ATOM 1536 CD1 LEU A 96 12.285 -2.912 5.562 1.00 73.42 C ATOM 1537 CD2 LEU A 96 10.016 -2.188 6.300 1.00 51.02 C ATOM 0 H LEU A 96 8.362 -5.030 6.254 1.00 21.21 H new ATOM 0 HA LEU A 96 10.453 -4.447 4.468 1.00 65.44 H new ATOM 0 HB2 LEU A 96 9.961 -4.715 7.351 1.00 14.33 H new ATOM 0 HB3 LEU A 96 11.580 -5.211 6.902 1.00 14.33 H new ATOM 0 HG LEU A 96 11.568 -2.891 7.576 1.00 13.12 H new ATOM 0 HD11 LEU A 96 12.590 -1.866 5.569 1.00 73.42 H new ATOM 0 HD12 LEU A 96 13.139 -3.541 5.812 1.00 73.42 H new ATOM 0 HD13 LEU A 96 11.918 -3.176 4.570 1.00 73.42 H new ATOM 0 HD21 LEU A 96 10.369 -1.157 6.301 1.00 51.02 H new ATOM 0 HD22 LEU A 96 9.589 -2.424 5.326 1.00 51.02 H new ATOM 0 HD23 LEU A 96 9.254 -2.312 7.070 1.00 51.02 H new ATOM 1549 N ARG A 97 10.369 -7.530 5.639 1.00 4.30 N ATOM 1550 CA ARG A 97 10.861 -8.890 5.433 1.00 32.44 C ATOM 1551 C ARG A 97 10.418 -9.453 4.082 1.00 44.43 C ATOM 1552 O ARG A 97 10.996 -10.420 3.588 1.00 23.43 O ATOM 1553 CB ARG A 97 10.379 -9.803 6.566 1.00 20.24 C ATOM 1554 CG ARG A 97 11.309 -9.831 7.768 1.00 21.14 C ATOM 1555 CD ARG A 97 12.543 -10.676 7.487 1.00 21.01 C ATOM 1556 NE ARG A 97 13.501 -10.650 8.592 1.00 1.14 N ATOM 1557 CZ ARG A 97 13.680 -11.652 9.453 1.00 32.35 C ATOM 1558 NH1 ARG A 97 12.870 -12.705 9.438 1.00 32.31 N ATOM 1559 NH2 ARG A 97 14.654 -11.588 10.354 1.00 61.11 N ATOM 0 H ARG A 97 9.638 -7.455 6.346 1.00 4.30 H new ATOM 0 HA ARG A 97 11.950 -8.852 5.437 1.00 32.44 H new ATOM 0 HB2 ARG A 97 9.391 -9.474 6.890 1.00 20.24 H new ATOM 0 HB3 ARG A 97 10.267 -10.817 6.181 1.00 20.24 H new ATOM 0 HG2 ARG A 97 11.611 -8.815 8.022 1.00 21.14 H new ATOM 0 HG3 ARG A 97 10.779 -10.232 8.632 1.00 21.14 H new ATOM 0 HD2 ARG A 97 12.239 -11.706 7.297 1.00 21.01 H new ATOM 0 HD3 ARG A 97 13.028 -10.315 6.580 1.00 21.01 H new ATOM 0 HE ARG A 97 14.069 -9.811 8.712 1.00 1.14 H new ATOM 0 HH11 ARG A 97 12.105 -12.751 8.765 1.00 32.31 H new ATOM 0 HH12 ARG A 97 13.013 -13.468 10.100 1.00 32.31 H new ATOM 0 HH21 ARG A 97 15.265 -10.772 10.387 1.00 61.11 H new ATOM 0 HH22 ARG A 97 14.791 -12.355 11.013 1.00 61.11 H new ATOM 1573 N ALA A 98 9.390 -8.854 3.496 1.00 24.15 N ATOM 1574 CA ALA A 98 8.902 -9.289 2.198 1.00 11.21 C ATOM 1575 C ALA A 98 9.768 -8.739 1.074 1.00 70.41 C ATOM 1576 O ALA A 98 10.169 -9.478 0.175 1.00 51.31 O ATOM 1577 CB ALA A 98 7.456 -8.868 2.001 1.00 24.31 C ATOM 0 H ALA A 98 8.880 -8.068 3.899 1.00 24.15 H new ATOM 0 HA ALA A 98 8.957 -10.377 2.169 1.00 11.21 H new ATOM 0 HB1 ALA A 98 7.109 -9.203 1.023 1.00 24.31 H new ATOM 0 HB2 ALA A 98 6.837 -9.316 2.778 1.00 24.31 H new ATOM 0 HB3 ALA A 98 7.382 -7.782 2.060 1.00 24.31 H new ATOM 1583 N ALA A 99 10.054 -7.443 1.133 1.00 34.01 N ATOM 1584 CA ALA A 99 10.849 -6.792 0.103 1.00 52.44 C ATOM 1585 C ALA A 99 12.332 -7.118 0.260 1.00 34.22 C ATOM 1586 O ALA A 99 12.905 -7.813 -0.579 1.00 33.23 O ATOM 1587 CB ALA A 99 10.635 -5.283 0.127 1.00 51.00 C ATOM 0 H ALA A 99 9.747 -6.824 1.883 1.00 34.01 H new ATOM 0 HA ALA A 99 10.517 -7.176 -0.862 1.00 52.44 H new ATOM 0 HB1 ALA A 99 11.239 -4.817 -0.652 1.00 51.00 H new ATOM 0 HB2 ALA A 99 9.582 -5.062 -0.050 1.00 51.00 H new ATOM 0 HB3 ALA A 99 10.930 -4.889 1.100 1.00 51.00 H new ATOM 1593 N SER A 100 12.942 -6.597 1.330 1.00 4.34 N ATOM 1594 CA SER A 100 14.366 -6.815 1.634 1.00 44.34 C ATOM 1595 C SER A 100 15.316 -6.086 0.666 1.00 54.14 C ATOM 1596 O SER A 100 16.397 -5.661 1.069 1.00 50.15 O ATOM 1597 CB SER A 100 14.687 -8.314 1.670 1.00 74.12 C ATOM 1598 OG SER A 100 13.919 -8.967 2.666 1.00 73.15 O ATOM 0 H SER A 100 12.463 -6.010 2.013 1.00 4.34 H new ATOM 0 HA SER A 100 14.537 -6.383 2.620 1.00 44.34 H new ATOM 0 HB2 SER A 100 14.482 -8.758 0.696 1.00 74.12 H new ATOM 0 HB3 SER A 100 15.749 -8.459 1.869 1.00 74.12 H new ATOM 0 HG SER A 100 14.136 -9.923 2.673 1.00 73.15 H new ATOM 1604 N LEU A 101 14.914 -5.924 -0.593 1.00 22.44 N ATOM 1605 CA LEU A 101 15.772 -5.303 -1.608 1.00 74.34 C ATOM 1606 C LEU A 101 15.785 -3.768 -1.490 1.00 4.34 C ATOM 1607 O LEU A 101 15.721 -3.043 -2.491 1.00 62.44 O ATOM 1608 CB LEU A 101 15.343 -5.743 -3.024 1.00 41.03 C ATOM 1609 CG LEU A 101 14.058 -5.118 -3.600 1.00 50.35 C ATOM 1610 CD1 LEU A 101 13.879 -5.545 -5.045 1.00 15.24 C ATOM 1611 CD2 LEU A 101 12.827 -5.505 -2.797 1.00 64.32 C ATOM 0 H LEU A 101 13.999 -6.214 -0.938 1.00 22.44 H new ATOM 0 HA LEU A 101 16.791 -5.647 -1.431 1.00 74.34 H new ATOM 0 HB2 LEU A 101 16.162 -5.521 -3.708 1.00 41.03 H new ATOM 0 HB3 LEU A 101 15.218 -6.826 -3.017 1.00 41.03 H new ATOM 0 HG LEU A 101 14.166 -4.035 -3.542 1.00 50.35 H new ATOM 0 HD11 LEU A 101 12.969 -5.100 -5.446 1.00 15.24 H new ATOM 0 HD12 LEU A 101 14.735 -5.211 -5.632 1.00 15.24 H new ATOM 0 HD13 LEU A 101 13.805 -6.631 -5.097 1.00 15.24 H new ATOM 0 HD21 LEU A 101 11.944 -5.042 -3.238 1.00 64.32 H new ATOM 0 HD22 LEU A 101 12.712 -6.589 -2.807 1.00 64.32 H new ATOM 0 HD23 LEU A 101 12.941 -5.162 -1.769 1.00 64.32 H new ATOM 1623 N LEU A 102 15.929 -3.281 -0.262 1.00 72.03 N ATOM 1624 CA LEU A 102 15.953 -1.845 0.007 1.00 21.35 C ATOM 1625 C LEU A 102 17.128 -1.173 -0.685 1.00 23.32 C ATOM 1626 O LEU A 102 17.102 0.027 -0.934 1.00 60.14 O ATOM 1627 CB LEU A 102 16.029 -1.578 1.509 1.00 35.02 C ATOM 1628 CG LEU A 102 14.809 -2.019 2.312 1.00 21.54 C ATOM 1629 CD1 LEU A 102 15.019 -1.716 3.784 1.00 33.50 C ATOM 1630 CD2 LEU A 102 13.553 -1.330 1.794 1.00 12.31 C ATOM 0 H LEU A 102 16.032 -3.863 0.569 1.00 72.03 H new ATOM 0 HA LEU A 102 15.028 -1.425 -0.388 1.00 21.35 H new ATOM 0 HB2 LEU A 102 16.908 -2.084 1.907 1.00 35.02 H new ATOM 0 HB3 LEU A 102 16.179 -0.510 1.664 1.00 35.02 H new ATOM 0 HG LEU A 102 14.679 -3.095 2.193 1.00 21.54 H new ATOM 0 HD11 LEU A 102 14.143 -2.034 4.350 1.00 33.50 H new ATOM 0 HD12 LEU A 102 15.898 -2.251 4.144 1.00 33.50 H new ATOM 0 HD13 LEU A 102 15.167 -0.644 3.917 1.00 33.50 H new ATOM 0 HD21 LEU A 102 12.692 -1.656 2.378 1.00 12.31 H new ATOM 0 HD22 LEU A 102 13.666 -0.250 1.886 1.00 12.31 H new ATOM 0 HD23 LEU A 102 13.401 -1.591 0.747 1.00 12.31 H new ATOM 1642 N ASP A 103 18.151 -1.958 -0.995 1.00 4.40 N ATOM 1643 CA ASP A 103 19.338 -1.454 -1.680 1.00 60.13 C ATOM 1644 C ASP A 103 18.986 -0.770 -2.999 1.00 4.24 C ATOM 1645 O ASP A 103 19.619 0.208 -3.389 1.00 53.51 O ATOM 1646 CB ASP A 103 20.319 -2.602 -1.938 1.00 15.42 C ATOM 1647 CG ASP A 103 21.443 -2.216 -2.880 1.00 55.02 C ATOM 1648 OD1 ASP A 103 22.412 -1.568 -2.430 1.00 54.45 O ATOM 1649 OD2 ASP A 103 21.363 -2.569 -4.076 1.00 53.03 O ATOM 0 H ASP A 103 18.184 -2.955 -0.782 1.00 4.40 H new ATOM 0 HA ASP A 103 19.802 -0.710 -1.032 1.00 60.13 H new ATOM 0 HB2 ASP A 103 20.743 -2.931 -0.989 1.00 15.42 H new ATOM 0 HB3 ASP A 103 19.776 -3.450 -2.356 1.00 15.42 H new ATOM 1654 N LYS A 104 17.970 -1.272 -3.683 1.00 1.24 N ATOM 1655 CA LYS A 104 17.621 -0.742 -4.994 1.00 71.51 C ATOM 1656 C LYS A 104 16.342 0.089 -4.951 1.00 55.21 C ATOM 1657 O LYS A 104 16.156 0.985 -5.775 1.00 72.53 O ATOM 1658 CB LYS A 104 17.505 -1.877 -6.010 1.00 22.14 C ATOM 1659 CG LYS A 104 16.584 -2.998 -5.574 1.00 1.21 C ATOM 1660 CD LYS A 104 17.193 -4.368 -5.842 1.00 50.11 C ATOM 1661 CE LYS A 104 18.391 -4.650 -4.939 1.00 54.23 C ATOM 1662 NZ LYS A 104 19.660 -4.074 -5.465 1.00 24.34 N ATOM 0 H LYS A 104 17.378 -2.037 -3.358 1.00 1.24 H new ATOM 0 HA LYS A 104 18.423 -0.074 -5.307 1.00 71.51 H new ATOM 0 HB2 LYS A 104 17.145 -1.470 -6.955 1.00 22.14 H new ATOM 0 HB3 LYS A 104 18.497 -2.287 -6.197 1.00 22.14 H new ATOM 0 HG2 LYS A 104 16.368 -2.898 -4.510 1.00 1.21 H new ATOM 0 HG3 LYS A 104 15.634 -2.913 -6.101 1.00 1.21 H new ATOM 0 HD2 LYS A 104 16.436 -5.137 -5.690 1.00 50.11 H new ATOM 0 HD3 LYS A 104 17.503 -4.429 -6.885 1.00 50.11 H new ATOM 0 HE2 LYS A 104 18.196 -4.242 -3.947 1.00 54.23 H new ATOM 0 HE3 LYS A 104 18.507 -5.728 -4.823 1.00 54.23 H new ATOM 0 HZ1 LYS A 104 20.395 -4.810 -5.481 1.00 24.34 H new ATOM 0 HZ2 LYS A 104 19.506 -3.718 -6.430 1.00 24.34 H new ATOM 0 HZ3 LYS A 104 19.967 -3.292 -4.852 1.00 24.34 H new ATOM 1676 N ILE A 105 15.460 -0.192 -3.998 1.00 13.34 N ATOM 1677 CA ILE A 105 14.250 0.614 -3.859 1.00 34.45 C ATOM 1678 C ILE A 105 14.505 1.837 -2.980 1.00 52.32 C ATOM 1679 O ILE A 105 14.312 2.973 -3.417 1.00 42.20 O ATOM 1680 CB ILE A 105 13.049 -0.203 -3.323 1.00 54.33 C ATOM 1681 CG1 ILE A 105 13.420 -0.985 -2.062 1.00 11.52 C ATOM 1682 CG2 ILE A 105 12.547 -1.145 -4.405 1.00 23.13 C ATOM 1683 CD1 ILE A 105 12.284 -1.806 -1.495 1.00 5.31 C ATOM 0 H ILE A 105 15.554 -0.952 -3.325 1.00 13.34 H new ATOM 0 HA ILE A 105 13.984 0.952 -4.860 1.00 34.45 H new ATOM 0 HB ILE A 105 12.255 0.493 -3.053 1.00 54.33 H new ATOM 0 HG12 ILE A 105 14.256 -1.647 -2.289 1.00 11.52 H new ATOM 0 HG13 ILE A 105 13.765 -0.285 -1.301 1.00 11.52 H new ATOM 0 HG21 ILE A 105 11.702 -1.719 -4.025 1.00 23.13 H new ATOM 0 HG22 ILE A 105 12.232 -0.567 -5.273 1.00 23.13 H new ATOM 0 HG23 ILE A 105 13.347 -1.826 -4.694 1.00 23.13 H new ATOM 0 HD11 ILE A 105 12.625 -2.331 -0.603 1.00 5.31 H new ATOM 0 HD12 ILE A 105 11.455 -1.149 -1.235 1.00 5.31 H new ATOM 0 HD13 ILE A 105 11.953 -2.531 -2.238 1.00 5.31 H new ATOM 1695 N GLY A 106 14.996 1.613 -1.771 1.00 22.04 N ATOM 1696 CA GLY A 106 15.212 2.704 -0.846 1.00 63.22 C ATOM 1697 C GLY A 106 14.068 2.868 0.134 1.00 23.23 C ATOM 1698 O GLY A 106 13.559 1.887 0.685 1.00 45.41 O ATOM 0 H GLY A 106 15.249 0.692 -1.413 1.00 22.04 H new ATOM 0 HA2 GLY A 106 16.136 2.531 -0.295 1.00 63.22 H new ATOM 0 HA3 GLY A 106 15.343 3.630 -1.406 1.00 63.22 H new ATOM 1702 N GLU A 107 13.648 4.109 0.336 1.00 64.22 N ATOM 1703 CA GLU A 107 12.583 4.425 1.276 1.00 34.44 C ATOM 1704 C GLU A 107 11.226 4.324 0.584 1.00 24.23 C ATOM 1705 O GLU A 107 10.464 5.288 0.526 1.00 62.53 O ATOM 1706 CB GLU A 107 12.800 5.829 1.843 1.00 22.31 C ATOM 1707 CG GLU A 107 14.159 5.998 2.508 1.00 2.42 C ATOM 1708 CD GLU A 107 14.447 7.431 2.900 1.00 64.44 C ATOM 1709 OE1 GLU A 107 14.889 8.210 2.031 1.00 61.12 O ATOM 1710 OE2 GLU A 107 14.246 7.784 4.075 1.00 53.24 O ATOM 0 H GLU A 107 14.034 4.921 -0.145 1.00 64.22 H new ATOM 0 HA GLU A 107 12.600 3.709 2.098 1.00 34.44 H new ATOM 0 HB2 GLU A 107 12.702 6.559 1.039 1.00 22.31 H new ATOM 0 HB3 GLU A 107 12.017 6.047 2.569 1.00 22.31 H new ATOM 0 HG2 GLU A 107 14.205 5.367 3.396 1.00 2.42 H new ATOM 0 HG3 GLU A 107 14.937 5.649 1.829 1.00 2.42 H new ATOM 1717 N ASP A 108 10.945 3.139 0.062 1.00 65.15 N ATOM 1718 CA ASP A 108 9.741 2.894 -0.732 1.00 64.11 C ATOM 1719 C ASP A 108 8.517 2.631 0.135 1.00 64.01 C ATOM 1720 O ASP A 108 7.387 2.646 -0.355 1.00 23.44 O ATOM 1721 CB ASP A 108 9.969 1.707 -1.663 1.00 34.42 C ATOM 1722 CG ASP A 108 10.617 2.105 -2.964 1.00 0.13 C ATOM 1723 OD1 ASP A 108 11.546 2.935 -2.938 1.00 30.10 O ATOM 1724 OD2 ASP A 108 10.195 1.591 -4.018 1.00 72.32 O ATOM 0 H ASP A 108 11.541 2.319 0.174 1.00 65.15 H new ATOM 0 HA ASP A 108 9.546 3.797 -1.311 1.00 64.11 H new ATOM 0 HB2 ASP A 108 10.596 0.971 -1.160 1.00 34.42 H new ATOM 0 HB3 ASP A 108 9.014 1.224 -1.870 1.00 34.42 H new ATOM 1729 N HIS A 109 8.737 2.377 1.414 1.00 32.21 N ATOM 1730 CA HIS A 109 7.636 2.083 2.320 1.00 41.23 C ATOM 1731 C HIS A 109 7.989 2.484 3.748 1.00 72.44 C ATOM 1732 O HIS A 109 8.949 1.982 4.332 1.00 55.52 O ATOM 1733 CB HIS A 109 7.204 0.601 2.215 1.00 54.14 C ATOM 1734 CG HIS A 109 8.262 -0.432 2.502 1.00 31.44 C ATOM 1735 ND1 HIS A 109 7.962 -1.751 2.782 1.00 3.42 N ATOM 1736 CD2 HIS A 109 9.617 -0.352 2.515 1.00 25.51 C ATOM 1737 CE1 HIS A 109 9.077 -2.432 2.951 1.00 22.14 C ATOM 1738 NE2 HIS A 109 10.098 -1.608 2.795 1.00 73.22 N ATOM 0 H HIS A 109 9.660 2.368 1.848 1.00 32.21 H new ATOM 0 HA HIS A 109 6.776 2.682 2.021 1.00 41.23 H new ATOM 0 HB2 HIS A 109 6.374 0.439 2.903 1.00 54.14 H new ATOM 0 HB3 HIS A 109 6.823 0.428 1.209 1.00 54.14 H new ATOM 0 HD1 HIS A 109 7.021 -2.139 2.848 1.00 3.42 H new ATOM 0 HD2 HIS A 109 10.208 0.535 2.338 1.00 25.51 H new ATOM 0 HE1 HIS A 109 9.145 -3.486 3.179 1.00 22.14 H new ATOM 1747 N ILE A 110 7.211 3.415 4.284 1.00 72.33 N ATOM 1748 CA ILE A 110 7.474 4.002 5.596 1.00 3.52 C ATOM 1749 C ILE A 110 6.235 3.908 6.483 1.00 30.42 C ATOM 1750 O ILE A 110 5.378 3.058 6.262 1.00 11.12 O ATOM 1751 CB ILE A 110 7.894 5.493 5.490 1.00 4.11 C ATOM 1752 CG1 ILE A 110 6.748 6.361 4.928 1.00 61.41 C ATOM 1753 CG2 ILE A 110 9.153 5.641 4.644 1.00 44.13 C ATOM 1754 CD1 ILE A 110 6.605 6.336 3.418 1.00 55.04 C ATOM 0 H ILE A 110 6.380 3.786 3.824 1.00 72.33 H new ATOM 0 HA ILE A 110 8.296 3.436 6.035 1.00 3.52 H new ATOM 0 HB ILE A 110 8.115 5.849 6.496 1.00 4.11 H new ATOM 0 HG12 ILE A 110 5.810 6.029 5.372 1.00 61.41 H new ATOM 0 HG13 ILE A 110 6.904 7.392 5.246 1.00 61.41 H new ATOM 0 HG21 ILE A 110 9.429 6.694 4.583 1.00 44.13 H new ATOM 0 HG22 ILE A 110 9.967 5.078 5.101 1.00 44.13 H new ATOM 0 HG23 ILE A 110 8.965 5.257 3.641 1.00 44.13 H new ATOM 0 HD11 ILE A 110 5.774 6.976 3.121 1.00 55.04 H new ATOM 0 HD12 ILE A 110 7.525 6.699 2.959 1.00 55.04 H new ATOM 0 HD13 ILE A 110 6.413 5.315 3.088 1.00 55.04 H new ATOM 1766 N PHE A 111 6.156 4.771 7.492 1.00 54.02 N ATOM 1767 CA PHE A 111 4.979 4.855 8.349 1.00 61.30 C ATOM 1768 C PHE A 111 4.058 5.978 7.901 1.00 42.13 C ATOM 1769 O PHE A 111 4.376 6.723 6.973 1.00 35.25 O ATOM 1770 CB PHE A 111 5.380 5.095 9.802 1.00 75.44 C ATOM 1771 CG PHE A 111 5.961 3.891 10.462 1.00 1.24 C ATOM 1772 CD1 PHE A 111 5.154 2.815 10.775 1.00 3.42 C ATOM 1773 CD2 PHE A 111 7.307 3.834 10.776 1.00 33.11 C ATOM 1774 CE1 PHE A 111 5.675 1.701 11.389 1.00 23.42 C ATOM 1775 CE2 PHE A 111 7.838 2.722 11.391 1.00 15.31 C ATOM 1776 CZ PHE A 111 7.021 1.651 11.700 1.00 34.05 C ATOM 0 H PHE A 111 6.899 5.426 7.737 1.00 54.02 H new ATOM 0 HA PHE A 111 4.453 3.904 8.270 1.00 61.30 H new ATOM 0 HB2 PHE A 111 6.105 5.908 9.842 1.00 75.44 H new ATOM 0 HB3 PHE A 111 4.505 5.421 10.364 1.00 75.44 H new ATOM 0 HD1 PHE A 111 4.102 2.849 10.535 1.00 3.42 H new ATOM 0 HD2 PHE A 111 7.948 4.670 10.537 1.00 33.11 H new ATOM 0 HE1 PHE A 111 5.033 0.866 11.628 1.00 23.42 H new ATOM 0 HE2 PHE A 111 8.890 2.687 11.631 1.00 15.31 H new ATOM 0 HZ PHE A 111 7.433 0.777 12.183 1.00 34.05 H new ATOM 1786 N MET A 112 2.907 6.078 8.558 1.00 22.04 N ATOM 1787 CA MET A 112 1.974 7.175 8.325 1.00 51.42 C ATOM 1788 C MET A 112 2.674 8.527 8.384 1.00 62.23 C ATOM 1789 O MET A 112 3.245 8.903 9.408 1.00 22.54 O ATOM 1790 CB MET A 112 0.826 7.125 9.337 1.00 43.34 C ATOM 1791 CG MET A 112 -0.067 8.358 9.314 1.00 52.12 C ATOM 1792 SD MET A 112 -1.742 8.001 9.864 1.00 23.30 S ATOM 1793 CE MET A 112 -2.286 6.934 8.533 1.00 53.43 C ATOM 0 H MET A 112 2.596 5.407 9.261 1.00 22.04 H new ATOM 0 HA MET A 112 1.566 7.055 7.321 1.00 51.42 H new ATOM 0 HB2 MET A 112 0.217 6.243 9.138 1.00 43.34 H new ATOM 0 HB3 MET A 112 1.241 7.007 10.338 1.00 43.34 H new ATOM 0 HG2 MET A 112 0.366 9.129 9.952 1.00 52.12 H new ATOM 0 HG3 MET A 112 -0.098 8.762 8.302 1.00 52.12 H new ATOM 0 HE1 MET A 112 -3.375 6.932 8.490 1.00 53.43 H new ATOM 0 HE2 MET A 112 -1.886 7.299 7.587 1.00 53.43 H new ATOM 0 HE3 MET A 112 -1.928 5.920 8.710 1.00 53.43 H new ATOM 1803 N THR A 113 2.617 9.242 7.271 1.00 32.22 N ATOM 1804 CA THR A 113 3.248 10.550 7.141 1.00 22.43 C ATOM 1805 C THR A 113 3.054 11.072 5.716 1.00 72.34 C ATOM 1806 O THR A 113 3.024 12.279 5.484 1.00 53.44 O ATOM 1807 CB THR A 113 4.760 10.503 7.494 1.00 73.23 C ATOM 1808 OG1 THR A 113 5.287 11.829 7.608 1.00 12.03 O ATOM 1809 CG2 THR A 113 5.559 9.732 6.450 1.00 2.31 C ATOM 0 H THR A 113 2.131 8.932 6.429 1.00 32.22 H new ATOM 0 HA THR A 113 2.771 11.226 7.850 1.00 22.43 H new ATOM 0 HB THR A 113 4.853 9.986 8.449 1.00 73.23 H new ATOM 0 HG1 THR A 113 6.240 11.784 7.832 1.00 12.03 H new ATOM 0 HG21 THR A 113 6.612 9.721 6.732 1.00 2.31 H new ATOM 0 HG22 THR A 113 5.189 8.708 6.391 1.00 2.31 H new ATOM 0 HG23 THR A 113 5.449 10.214 5.479 1.00 2.31 H new ATOM 1817 N LEU A 114 2.895 10.138 4.773 1.00 53.40 N ATOM 1818 CA LEU A 114 2.677 10.457 3.360 1.00 14.23 C ATOM 1819 C LEU A 114 1.609 11.537 3.123 1.00 54.35 C ATOM 1820 O LEU A 114 1.853 12.449 2.340 1.00 43.04 O ATOM 1821 CB LEU A 114 2.331 9.188 2.580 1.00 32.22 C ATOM 1822 CG LEU A 114 3.478 8.616 1.746 1.00 1.15 C ATOM 1823 CD1 LEU A 114 3.173 7.190 1.331 1.00 50.23 C ATOM 1824 CD2 LEU A 114 3.721 9.480 0.515 1.00 3.34 C ATOM 0 H LEU A 114 2.914 9.137 4.969 1.00 53.40 H new ATOM 0 HA LEU A 114 3.615 10.876 2.995 1.00 14.23 H new ATOM 0 HB2 LEU A 114 1.997 8.426 3.284 1.00 32.22 H new ATOM 0 HB3 LEU A 114 1.491 9.402 1.919 1.00 32.22 H new ATOM 0 HG LEU A 114 4.380 8.615 2.357 1.00 1.15 H new ATOM 0 HD11 LEU A 114 4.000 6.799 0.738 1.00 50.23 H new ATOM 0 HD12 LEU A 114 3.040 6.573 2.220 1.00 50.23 H new ATOM 0 HD13 LEU A 114 2.260 7.172 0.736 1.00 50.23 H new ATOM 0 HD21 LEU A 114 4.540 9.060 -0.068 1.00 3.34 H new ATOM 0 HD22 LEU A 114 2.818 9.507 -0.095 1.00 3.34 H new ATOM 0 HD23 LEU A 114 3.979 10.492 0.826 1.00 3.34 H new ATOM 1836 N PRO A 115 0.415 11.462 3.764 1.00 44.04 N ATOM 1837 CA PRO A 115 -0.622 12.501 3.619 1.00 21.31 C ATOM 1838 C PRO A 115 -0.067 13.914 3.821 1.00 4.13 C ATOM 1839 O PRO A 115 -0.369 14.826 3.050 1.00 32.33 O ATOM 1840 CB PRO A 115 -1.660 12.165 4.705 1.00 31.13 C ATOM 1841 CG PRO A 115 -1.052 11.084 5.536 1.00 22.15 C ATOM 1842 CD PRO A 115 -0.044 10.377 4.639 1.00 14.34 C ATOM 0 HA PRO A 115 -1.042 12.501 2.613 1.00 21.31 H new ATOM 0 HB2 PRO A 115 -1.888 13.042 5.311 1.00 31.13 H new ATOM 0 HB3 PRO A 115 -2.598 11.833 4.259 1.00 31.13 H new ATOM 0 HG2 PRO A 115 -0.565 11.498 6.419 1.00 22.15 H new ATOM 0 HG3 PRO A 115 -1.814 10.389 5.889 1.00 22.15 H new ATOM 0 HD2 PRO A 115 0.775 9.943 5.212 1.00 14.34 H new ATOM 0 HD3 PRO A 115 -0.502 9.566 4.074 1.00 14.34 H new ATOM 1850 N THR A 116 0.757 14.089 4.844 1.00 14.25 N ATOM 1851 CA THR A 116 1.390 15.377 5.099 1.00 60.25 C ATOM 1852 C THR A 116 2.594 15.576 4.180 1.00 31.14 C ATOM 1853 O THR A 116 2.837 16.678 3.679 1.00 73.41 O ATOM 1854 CB THR A 116 1.843 15.485 6.567 1.00 61.43 C ATOM 1855 OG1 THR A 116 0.756 15.148 7.436 1.00 53.31 O ATOM 1856 CG2 THR A 116 2.333 16.889 6.890 1.00 61.45 C ATOM 0 H THR A 116 1.003 13.357 5.511 1.00 14.25 H new ATOM 0 HA THR A 116 0.653 16.154 4.898 1.00 60.25 H new ATOM 0 HB THR A 116 2.668 14.789 6.718 1.00 61.43 H new ATOM 0 HG1 THR A 116 1.049 15.216 8.369 1.00 53.31 H new ATOM 0 HG21 THR A 116 2.646 16.934 7.933 1.00 61.45 H new ATOM 0 HG22 THR A 116 3.177 17.137 6.247 1.00 61.45 H new ATOM 0 HG23 THR A 116 1.527 17.603 6.722 1.00 61.45 H new ATOM 1864 N ALA A 117 3.327 14.494 3.949 1.00 41.32 N ATOM 1865 CA ALA A 117 4.515 14.528 3.109 1.00 64.02 C ATOM 1866 C ALA A 117 4.187 15.020 1.705 1.00 24.40 C ATOM 1867 O ALA A 117 4.863 15.897 1.181 1.00 61.41 O ATOM 1868 CB ALA A 117 5.166 13.155 3.054 1.00 43.43 C ATOM 0 H ALA A 117 3.116 13.574 4.336 1.00 41.32 H new ATOM 0 HA ALA A 117 5.219 15.232 3.553 1.00 64.02 H new ATOM 0 HB1 ALA A 117 6.053 13.198 2.422 1.00 43.43 H new ATOM 0 HB2 ALA A 117 5.452 12.847 4.060 1.00 43.43 H new ATOM 0 HB3 ALA A 117 4.460 12.434 2.641 1.00 43.43 H new ATOM 1874 N VAL A 118 3.141 14.469 1.099 1.00 15.04 N ATOM 1875 CA VAL A 118 2.756 14.874 -0.247 1.00 23.51 C ATOM 1876 C VAL A 118 2.230 16.306 -0.255 1.00 2.34 C ATOM 1877 O VAL A 118 2.450 17.048 -1.207 1.00 13.33 O ATOM 1878 CB VAL A 118 1.707 13.925 -0.878 1.00 54.00 C ATOM 1879 CG1 VAL A 118 2.276 12.523 -1.028 1.00 63.51 C ATOM 1880 CG2 VAL A 118 0.418 13.897 -0.068 1.00 60.23 C ATOM 0 H VAL A 118 2.550 13.748 1.513 1.00 15.04 H new ATOM 0 HA VAL A 118 3.659 14.817 -0.855 1.00 23.51 H new ATOM 0 HB VAL A 118 1.466 14.311 -1.868 1.00 54.00 H new ATOM 0 HG11 VAL A 118 1.524 11.871 -1.473 1.00 63.51 H new ATOM 0 HG12 VAL A 118 3.156 12.554 -1.671 1.00 63.51 H new ATOM 0 HG13 VAL A 118 2.556 12.137 -0.048 1.00 63.51 H new ATOM 0 HG21 VAL A 118 -0.294 13.221 -0.541 1.00 60.23 H new ATOM 0 HG22 VAL A 118 0.631 13.550 0.943 1.00 60.23 H new ATOM 0 HG23 VAL A 118 -0.007 14.900 -0.026 1.00 60.23 H new ATOM 1890 N GLN A 119 1.570 16.707 0.827 1.00 13.30 N ATOM 1891 CA GLN A 119 1.026 18.054 0.927 1.00 63.30 C ATOM 1892 C GLN A 119 2.155 19.086 0.959 1.00 34.12 C ATOM 1893 O GLN A 119 1.976 20.229 0.541 1.00 22.41 O ATOM 1894 CB GLN A 119 0.149 18.186 2.173 1.00 44.11 C ATOM 1895 CG GLN A 119 -0.566 19.525 2.280 1.00 13.11 C ATOM 1896 CD GLN A 119 -1.464 19.620 3.496 1.00 14.41 C ATOM 1897 OE1 GLN A 119 -2.485 20.304 3.473 1.00 70.11 O ATOM 1898 NE2 GLN A 119 -1.084 18.950 4.572 1.00 45.34 N ATOM 0 H GLN A 119 1.400 16.120 1.643 1.00 13.30 H new ATOM 0 HA GLN A 119 0.409 18.242 0.048 1.00 63.30 H new ATOM 0 HB2 GLN A 119 -0.593 17.387 2.170 1.00 44.11 H new ATOM 0 HB3 GLN A 119 0.768 18.043 3.059 1.00 44.11 H new ATOM 0 HG2 GLN A 119 0.174 20.324 2.318 1.00 13.11 H new ATOM 0 HG3 GLN A 119 -1.162 19.685 1.382 1.00 13.11 H new ATOM 0 HE21 GLN A 119 -0.230 18.393 4.551 1.00 45.34 H new ATOM 0 HE22 GLN A 119 -1.646 18.990 5.423 1.00 45.34 H new ATOM 1907 N ALA A 120 3.316 18.671 1.448 1.00 32.32 N ATOM 1908 CA ALA A 120 4.473 19.549 1.516 1.00 31.44 C ATOM 1909 C ALA A 120 5.381 19.383 0.298 1.00 21.15 C ATOM 1910 O ALA A 120 5.664 20.344 -0.417 1.00 70.33 O ATOM 1911 CB ALA A 120 5.254 19.286 2.794 1.00 40.13 C ATOM 0 H ALA A 120 3.480 17.729 1.804 1.00 32.32 H new ATOM 0 HA ALA A 120 4.111 20.577 1.520 1.00 31.44 H new ATOM 0 HB1 ALA A 120 6.118 19.949 2.835 1.00 40.13 H new ATOM 0 HB2 ALA A 120 4.614 19.471 3.656 1.00 40.13 H new ATOM 0 HB3 ALA A 120 5.591 18.249 2.808 1.00 40.13 H new ATOM 1917 N PHE A 121 5.812 18.158 0.048 1.00 31.31 N ATOM 1918 CA PHE A 121 6.821 17.891 -0.976 1.00 30.34 C ATOM 1919 C PHE A 121 6.312 18.154 -2.392 1.00 22.21 C ATOM 1920 O PHE A 121 7.092 18.483 -3.281 1.00 43.45 O ATOM 1921 CB PHE A 121 7.319 16.443 -0.887 1.00 31.32 C ATOM 1922 CG PHE A 121 8.021 16.108 0.401 1.00 71.44 C ATOM 1923 CD1 PHE A 121 8.881 17.020 0.994 1.00 21.13 C ATOM 1924 CD2 PHE A 121 7.826 14.876 1.017 1.00 63.15 C ATOM 1925 CE1 PHE A 121 9.528 16.713 2.178 1.00 52.24 C ATOM 1926 CE2 PHE A 121 8.472 14.569 2.200 1.00 12.43 C ATOM 1927 CZ PHE A 121 9.323 15.488 2.780 1.00 24.43 C ATOM 0 H PHE A 121 5.481 17.327 0.539 1.00 31.31 H new ATOM 0 HA PHE A 121 7.640 18.582 -0.778 1.00 30.34 H new ATOM 0 HB2 PHE A 121 6.470 15.771 -1.010 1.00 31.32 H new ATOM 0 HB3 PHE A 121 7.999 16.253 -1.718 1.00 31.32 H new ATOM 0 HD1 PHE A 121 9.047 17.980 0.527 1.00 21.13 H new ATOM 0 HD2 PHE A 121 7.163 14.152 0.566 1.00 63.15 H new ATOM 0 HE1 PHE A 121 10.194 17.432 2.631 1.00 52.24 H new ATOM 0 HE2 PHE A 121 8.311 13.610 2.670 1.00 12.43 H new ATOM 0 HZ PHE A 121 9.828 15.249 3.704 1.00 24.43 H new ATOM 1937 N ARG A 122 5.011 18.018 -2.606 1.00 33.11 N ATOM 1938 CA ARG A 122 4.475 18.074 -3.963 1.00 2.23 C ATOM 1939 C ARG A 122 4.126 19.493 -4.404 1.00 52.24 C ATOM 1940 O ARG A 122 3.764 19.708 -5.558 1.00 64.24 O ATOM 1941 CB ARG A 122 3.260 17.157 -4.105 1.00 21.45 C ATOM 1942 CG ARG A 122 3.575 15.694 -3.823 1.00 2.35 C ATOM 1943 CD ARG A 122 4.778 15.221 -4.623 1.00 33.55 C ATOM 1944 NE ARG A 122 4.567 15.372 -6.057 1.00 31.53 N ATOM 1945 CZ ARG A 122 5.533 15.618 -6.940 1.00 62.44 C ATOM 1946 NH1 ARG A 122 6.791 15.767 -6.539 1.00 45.22 N ATOM 1947 NH2 ARG A 122 5.232 15.710 -8.227 1.00 21.11 N ATOM 0 H ARG A 122 4.316 17.871 -1.874 1.00 33.11 H new ATOM 0 HA ARG A 122 5.267 17.722 -4.624 1.00 2.23 H new ATOM 0 HB2 ARG A 122 2.479 17.492 -3.422 1.00 21.45 H new ATOM 0 HB3 ARG A 122 2.861 17.248 -5.115 1.00 21.45 H new ATOM 0 HG2 ARG A 122 3.769 15.561 -2.759 1.00 2.35 H new ATOM 0 HG3 ARG A 122 2.709 15.080 -4.069 1.00 2.35 H new ATOM 0 HD2 ARG A 122 5.659 15.788 -4.324 1.00 33.55 H new ATOM 0 HD3 ARG A 122 4.979 14.175 -4.393 1.00 33.55 H new ATOM 0 HE ARG A 122 3.614 15.283 -6.409 1.00 31.53 H new ATOM 0 HH11 ARG A 122 7.023 15.693 -5.548 1.00 45.22 H new ATOM 0 HH12 ARG A 122 7.525 15.955 -7.222 1.00 45.22 H new ATOM 0 HH21 ARG A 122 4.267 15.593 -8.535 1.00 21.11 H new ATOM 0 HH22 ARG A 122 5.966 15.898 -8.910 1.00 21.11 H new ATOM 1961 N ARG A 123 4.226 20.465 -3.504 1.00 53.24 N ATOM 1962 CA ARG A 123 4.020 21.854 -3.907 1.00 0.42 C ATOM 1963 C ARG A 123 5.283 22.677 -3.660 1.00 51.31 C ATOM 1964 O ARG A 123 5.501 23.700 -4.312 1.00 33.23 O ATOM 1965 CB ARG A 123 2.809 22.488 -3.190 1.00 44.23 C ATOM 1966 CG ARG A 123 3.156 23.346 -1.979 1.00 63.13 C ATOM 1967 CD ARG A 123 3.552 22.506 -0.778 1.00 50.02 C ATOM 1968 NE ARG A 123 4.255 23.295 0.233 1.00 43.54 N ATOM 1969 CZ ARG A 123 3.998 23.239 1.535 1.00 22.44 C ATOM 1970 NH1 ARG A 123 3.042 22.438 1.990 1.00 24.20 N ATOM 1971 NH2 ARG A 123 4.707 23.975 2.384 1.00 4.41 N ATOM 0 H ARG A 123 4.442 20.326 -2.517 1.00 53.24 H new ATOM 0 HA ARG A 123 3.803 21.856 -4.975 1.00 0.42 H new ATOM 0 HB2 ARG A 123 2.262 23.101 -3.906 1.00 44.23 H new ATOM 0 HB3 ARG A 123 2.136 21.692 -2.872 1.00 44.23 H new ATOM 0 HG2 ARG A 123 3.974 24.020 -2.235 1.00 63.13 H new ATOM 0 HG3 ARG A 123 2.300 23.968 -1.719 1.00 63.13 H new ATOM 0 HD2 ARG A 123 2.660 22.062 -0.336 1.00 50.02 H new ATOM 0 HD3 ARG A 123 4.189 21.684 -1.104 1.00 50.02 H new ATOM 0 HE ARG A 123 4.990 23.929 -0.082 1.00 43.54 H new ATOM 0 HH11 ARG A 123 2.504 21.865 1.340 1.00 24.20 H new ATOM 0 HH12 ARG A 123 2.845 22.396 2.990 1.00 24.20 H new ATOM 0 HH21 ARG A 123 5.448 24.583 2.036 1.00 4.41 H new ATOM 0 HH22 ARG A 123 4.510 23.932 3.384 1.00 4.41 H new ATOM 1985 N ARG A 124 6.112 22.201 -2.726 1.00 63.14 N ATOM 1986 CA ARG A 124 7.326 22.903 -2.309 1.00 62.02 C ATOM 1987 C ARG A 124 6.986 24.303 -1.810 1.00 62.33 C ATOM 1988 O ARG A 124 6.502 24.425 -0.668 1.00 62.24 O ATOM 1989 CB ARG A 124 8.344 22.974 -3.453 1.00 24.14 C ATOM 1990 CG ARG A 124 8.817 21.615 -3.945 1.00 23.23 C ATOM 1991 CD ARG A 124 9.523 20.829 -2.848 1.00 35.22 C ATOM 1992 NE ARG A 124 10.014 19.535 -3.326 1.00 64.32 N ATOM 1993 CZ ARG A 124 10.968 18.823 -2.722 1.00 51.43 C ATOM 1994 NH1 ARG A 124 11.512 19.253 -1.588 1.00 31.35 N ATOM 1995 NH2 ARG A 124 11.363 17.670 -3.247 1.00 45.22 N ATOM 0 H ARG A 124 5.959 21.318 -2.239 1.00 63.14 H new ATOM 0 HA ARG A 124 7.777 22.340 -1.492 1.00 62.02 H new ATOM 0 HB2 ARG A 124 7.900 23.517 -4.288 1.00 24.14 H new ATOM 0 HB3 ARG A 124 9.208 23.550 -3.122 1.00 24.14 H new ATOM 0 HG2 ARG A 124 7.963 21.043 -4.309 1.00 23.23 H new ATOM 0 HG3 ARG A 124 9.494 21.750 -4.789 1.00 23.23 H new ATOM 0 HD2 ARG A 124 10.359 21.414 -2.464 1.00 35.22 H new ATOM 0 HD3 ARG A 124 8.836 20.671 -2.017 1.00 35.22 H new ATOM 0 HE ARG A 124 9.600 19.153 -4.176 1.00 64.32 H new ATOM 0 HH11 ARG A 124 11.201 20.132 -1.174 1.00 31.35 H new ATOM 0 HH12 ARG A 124 12.241 18.704 -1.132 1.00 31.35 H new ATOM 0 HH21 ARG A 124 10.938 17.330 -4.110 1.00 45.22 H new ATOM 0 HH22 ARG A 124 12.092 17.124 -2.788 1.00 45.22 H new