USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 918 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 Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -163:sc= -2.14! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 120:sc= -0.793 USER MOD Single : A 35 ASN : amide:sc= -1.26 K(o=-1.3,f=-3.1!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.8 F(o=-1.7,f=-0.8) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 53:sc=-0.00538 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -6.14! C(o=-6.1!,f=-13!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.193 F(o=-2,f=-0.19) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -8.53! C(o=-12!,f=-8.5!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -122:sc= -1.18 (180deg=-3.11) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0992 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -1.6 F(o=-2.9!,f=-1.6) USER MOD Single : A 85 SER OG : rot 180:sc= 0.294 USER MOD Single : A 92 SER OG : rot -75:sc= 0.0726 USER MOD Single : A 94 TYR OH : rot 71:sc= -0.376 USER MOD Single : A 95 GLN : amide:sc= 0.156 X(o=0.16,f=-0.099) USER MOD Single : A 96 GLN : amide:sc= -0.258 K(o=-0.26,f=-1.6!) USER MOD Single : A 101 TYR OH : rot 180:sc= -3.94! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 0.124 K(o=0.12,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 11.555 -13.207 1.370 1.00 0.00 N ATOM 38 CA ARG A 3 11.949 -12.395 0.231 1.00 0.00 C ATOM 39 C ARG A 3 11.720 -10.915 0.508 1.00 0.00 C ATOM 40 O ARG A 3 12.395 -10.054 -0.057 1.00 0.00 O ATOM 41 CB ARG A 3 11.175 -12.818 -1.018 1.00 0.00 C ATOM 42 CG ARG A 3 11.651 -12.128 -2.288 1.00 0.00 C ATOM 43 CD ARG A 3 12.110 -13.135 -3.332 1.00 0.00 C ATOM 44 NE ARG A 3 11.072 -13.403 -4.327 1.00 0.00 N ATOM 45 CZ ARG A 3 10.498 -14.592 -4.512 1.00 0.00 C ATOM 46 NH1 ARG A 3 10.852 -15.640 -3.776 1.00 0.00 N ATOM 47 NH2 ARG A 3 9.564 -14.734 -5.441 1.00 0.00 N ATOM 0 HA ARG A 3 13.014 -12.552 0.060 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.265 -13.897 -1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.117 -12.602 -0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.844 -11.520 -2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.471 -11.450 -2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.003 -12.758 -3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.389 -14.066 -2.839 1.00 0.00 H new ATOM 0 HE ARG A 3 10.767 -12.630 -4.918 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.571 -15.540 -3.059 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.405 -16.544 -3.928 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.287 -13.935 -6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.122 -15.642 -5.586 1.00 0.00 H new ATOM 61 N GLY A 4 10.762 -10.627 1.379 1.00 0.00 N ATOM 62 CA GLY A 4 10.453 -9.250 1.718 1.00 0.00 C ATOM 63 C GLY A 4 10.170 -8.400 0.495 1.00 0.00 C ATOM 64 O GLY A 4 11.053 -7.707 -0.008 1.00 0.00 O ATOM 0 H GLY A 4 10.192 -11.324 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.587 -9.228 2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.288 -8.819 2.271 1.00 0.00 H new ATOM 68 N ILE A 5 8.936 -8.465 0.006 1.00 0.00 N ATOM 69 CA ILE A 5 8.539 -7.702 -1.169 1.00 0.00 C ATOM 70 C ILE A 5 7.607 -6.554 -0.802 1.00 0.00 C ATOM 71 O ILE A 5 6.464 -6.776 -0.395 1.00 0.00 O ATOM 72 CB ILE A 5 7.830 -8.602 -2.200 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.637 -9.879 -2.435 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.611 -7.854 -3.508 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.248 -11.013 -1.511 1.00 0.00 C ATOM 0 H ILE A 5 8.194 -9.039 0.406 1.00 0.00 H new ATOM 0 HA ILE A 5 9.453 -7.297 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 5 6.854 -8.879 -1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.504 -10.200 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.697 -9.660 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.109 -8.508 -4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.994 -6.975 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.573 -7.543 -3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.859 -11.888 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.408 -10.710 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.196 -11.258 -1.659 1.00 0.00 H new ATOM 87 N VAL A 6 8.089 -5.324 -0.959 1.00 0.00 N ATOM 88 CA VAL A 6 7.277 -4.154 -0.652 1.00 0.00 C ATOM 89 C VAL A 6 6.823 -3.459 -1.926 1.00 0.00 C ATOM 90 O VAL A 6 7.641 -3.057 -2.755 1.00 0.00 O ATOM 91 CB VAL A 6 8.029 -3.134 0.218 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.328 -2.713 -0.453 1.00 0.00 C ATOM 93 CG2 VAL A 6 7.144 -1.925 0.495 1.00 0.00 C ATOM 0 H VAL A 6 9.029 -5.114 -1.294 1.00 0.00 H new ATOM 0 HA VAL A 6 6.414 -4.520 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 6 8.278 -3.603 1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.846 -1.991 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.962 -3.588 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.108 -2.259 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.688 -1.210 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.866 -1.454 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.244 -2.246 1.019 1.00 0.00 H new ATOM 103 N TRP A 7 5.515 -3.309 -2.071 1.00 0.00 N ATOM 104 CA TRP A 7 4.950 -2.654 -3.237 1.00 0.00 C ATOM 105 C TRP A 7 4.261 -1.355 -2.834 1.00 0.00 C ATOM 106 O TRP A 7 3.572 -1.294 -1.816 1.00 0.00 O ATOM 107 CB TRP A 7 3.986 -3.601 -3.953 1.00 0.00 C ATOM 108 CG TRP A 7 4.698 -4.590 -4.826 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.042 -4.841 -4.845 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.116 -5.459 -5.804 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.330 -5.805 -5.775 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.167 -6.203 -6.377 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.812 -5.682 -6.252 1.00 0.00 C ATOM 114 CZ2 TRP A 7 4.952 -7.147 -7.373 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.600 -6.623 -7.243 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.666 -7.345 -7.792 1.00 0.00 C ATOM 0 H TRP A 7 4.825 -3.633 -1.393 1.00 0.00 H new ATOM 0 HA TRP A 7 5.752 -2.401 -3.930 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.391 -4.136 -3.213 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.292 -3.019 -4.560 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.771 -4.350 -4.218 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.260 -6.167 -5.985 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.984 -5.130 -5.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.772 -7.705 -7.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.596 -6.804 -7.599 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.468 -8.074 -8.563 1.00 0.00 H new ATOM 127 N VAL A 8 4.482 -0.312 -3.625 1.00 0.00 N ATOM 128 CA VAL A 8 3.914 1.003 -3.341 1.00 0.00 C ATOM 129 C VAL A 8 3.211 1.578 -4.555 1.00 0.00 C ATOM 130 O VAL A 8 3.689 1.450 -5.675 1.00 0.00 O ATOM 131 CB VAL A 8 5.003 2.010 -2.909 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.582 2.761 -1.657 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.345 1.317 -2.708 1.00 0.00 C ATOM 0 H VAL A 8 5.052 -0.350 -4.470 1.00 0.00 H new ATOM 0 HA VAL A 8 3.200 0.855 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 8 5.123 2.737 -3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.366 3.464 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.659 3.307 -1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.419 2.052 -0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.092 2.051 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.249 0.556 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.656 0.848 -3.642 1.00 0.00 H new ATOM 143 N VAL A 9 2.090 2.242 -4.331 1.00 0.00 N ATOM 144 CA VAL A 9 1.353 2.857 -5.418 1.00 0.00 C ATOM 145 C VAL A 9 1.260 4.364 -5.198 1.00 0.00 C ATOM 146 O VAL A 9 0.497 4.833 -4.354 1.00 0.00 O ATOM 147 CB VAL A 9 -0.066 2.266 -5.560 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.437 2.117 -7.025 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.182 0.927 -4.847 1.00 0.00 C ATOM 0 H VAL A 9 1.673 2.368 -3.409 1.00 0.00 H new ATOM 0 HA VAL A 9 1.896 2.649 -6.340 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.763 2.959 -5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.440 1.699 -7.106 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.411 3.094 -7.508 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.274 1.451 -7.514 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.193 0.538 -4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.531 0.223 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.033 1.060 -3.787 1.00 0.00 H new ATOM 159 N ASP A 10 2.052 5.115 -5.960 1.00 0.00 N ATOM 160 CA ASP A 10 2.068 6.567 -5.842 1.00 0.00 C ATOM 161 C ASP A 10 2.911 7.205 -6.940 1.00 0.00 C ATOM 162 O ASP A 10 4.124 7.018 -7.006 1.00 0.00 O ATOM 163 CB ASP A 10 2.580 6.986 -4.464 1.00 0.00 C ATOM 164 CG ASP A 10 1.969 8.295 -3.997 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.502 9.071 -4.857 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.958 8.544 -2.774 1.00 0.00 O ATOM 0 H ASP A 10 2.689 4.741 -6.664 1.00 0.00 H new ATOM 0 HA ASP A 10 1.044 6.922 -5.959 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.353 6.203 -3.741 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.665 7.085 -4.496 1.00 0.00 H new ATOM 171 N ASP A 11 2.235 7.961 -7.795 1.00 0.00 N ATOM 172 CA ASP A 11 2.865 8.654 -8.911 1.00 0.00 C ATOM 173 C ASP A 11 3.757 7.719 -9.728 1.00 0.00 C ATOM 174 O ASP A 11 3.301 7.131 -10.708 1.00 0.00 O ATOM 175 CB ASP A 11 3.652 9.872 -8.412 1.00 0.00 C ATOM 176 CG ASP A 11 3.418 11.097 -9.276 1.00 0.00 C ATOM 177 OD1 ASP A 11 4.129 11.253 -10.291 1.00 0.00 O ATOM 178 OD2 ASP A 11 2.523 11.899 -8.936 1.00 0.00 O ATOM 0 H ASP A 11 1.228 8.112 -7.733 1.00 0.00 H new ATOM 0 HA ASP A 11 2.074 9.003 -9.575 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.363 10.093 -7.385 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.716 9.635 -8.400 1.00 0.00 H new ATOM 183 N ASP A 12 5.021 7.587 -9.324 1.00 0.00 N ATOM 184 CA ASP A 12 5.980 6.730 -10.026 1.00 0.00 C ATOM 185 C ASP A 12 7.413 6.994 -9.533 1.00 0.00 C ATOM 186 O ASP A 12 7.682 6.914 -8.335 1.00 0.00 O ATOM 187 CB ASP A 12 5.881 6.954 -11.542 1.00 0.00 C ATOM 188 CG ASP A 12 6.414 5.780 -12.340 1.00 0.00 C ATOM 189 OD1 ASP A 12 6.449 4.657 -11.792 1.00 0.00 O ATOM 190 OD2 ASP A 12 6.790 5.982 -13.514 1.00 0.00 O ATOM 0 H ASP A 12 5.407 8.065 -8.510 1.00 0.00 H new ATOM 0 HA ASP A 12 5.735 5.690 -9.810 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.840 7.130 -11.812 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.436 7.853 -11.810 1.00 0.00 H new ATOM 195 N SER A 13 8.334 7.298 -10.461 1.00 0.00 N ATOM 196 CA SER A 13 9.732 7.560 -10.121 1.00 0.00 C ATOM 197 C SER A 13 9.873 8.405 -8.861 1.00 0.00 C ATOM 198 O SER A 13 10.709 8.125 -8.001 1.00 0.00 O ATOM 199 CB SER A 13 10.426 8.256 -11.292 1.00 0.00 C ATOM 200 OG SER A 13 10.482 7.414 -12.432 1.00 0.00 O ATOM 0 H SER A 13 8.129 7.367 -11.458 1.00 0.00 H new ATOM 0 HA SER A 13 10.206 6.599 -9.923 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.892 9.173 -11.541 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.436 8.544 -11.000 1.00 0.00 H new ATOM 0 HG SER A 13 10.929 7.886 -13.165 1.00 0.00 H new ATOM 206 N SER A 14 9.053 9.436 -8.761 1.00 0.00 N ATOM 207 CA SER A 14 9.082 10.329 -7.605 1.00 0.00 C ATOM 208 C SER A 14 8.967 9.534 -6.308 1.00 0.00 C ATOM 209 O SER A 14 9.880 9.532 -5.478 1.00 0.00 O ATOM 210 CB SER A 14 7.948 11.354 -7.693 1.00 0.00 C ATOM 211 OG SER A 14 8.343 12.489 -8.444 1.00 0.00 O ATOM 0 H SER A 14 8.356 9.680 -9.465 1.00 0.00 H new ATOM 0 HA SER A 14 10.036 10.857 -7.607 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.074 10.895 -8.155 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.654 11.662 -6.690 1.00 0.00 H new ATOM 0 HG SER A 14 7.601 13.127 -8.487 1.00 0.00 H new ATOM 217 N ILE A 15 7.843 8.849 -6.146 1.00 0.00 N ATOM 218 CA ILE A 15 7.612 8.040 -4.966 1.00 0.00 C ATOM 219 C ILE A 15 8.478 6.783 -4.998 1.00 0.00 C ATOM 220 O ILE A 15 8.740 6.166 -3.964 1.00 0.00 O ATOM 221 CB ILE A 15 6.120 7.679 -4.820 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.284 8.965 -4.825 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.887 6.878 -3.542 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.440 9.805 -3.573 1.00 0.00 C ATOM 0 H ILE A 15 7.078 8.840 -6.821 1.00 0.00 H new ATOM 0 HA ILE A 15 7.896 8.628 -4.093 1.00 0.00 H new ATOM 0 HB ILE A 15 5.813 7.056 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.564 9.565 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.233 8.703 -4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.829 6.632 -3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.472 5.959 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.194 7.471 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.818 10.696 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.131 9.224 -2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.483 10.100 -3.460 1.00 0.00 H new ATOM 236 N ARG A 16 8.941 6.424 -6.196 1.00 0.00 N ATOM 237 CA ARG A 16 9.801 5.263 -6.378 1.00 0.00 C ATOM 238 C ARG A 16 11.192 5.547 -5.830 1.00 0.00 C ATOM 239 O ARG A 16 11.893 4.654 -5.365 1.00 0.00 O ATOM 240 CB ARG A 16 9.894 4.900 -7.866 1.00 0.00 C ATOM 241 CG ARG A 16 10.591 3.574 -8.146 1.00 0.00 C ATOM 242 CD ARG A 16 12.083 3.761 -8.382 1.00 0.00 C ATOM 243 NE ARG A 16 12.397 3.925 -9.801 1.00 0.00 N ATOM 244 CZ ARG A 16 13.636 4.030 -10.282 1.00 0.00 C ATOM 245 NH1 ARG A 16 14.681 3.982 -9.465 1.00 0.00 N ATOM 246 NH2 ARG A 16 13.830 4.181 -11.586 1.00 0.00 N ATOM 0 H ARG A 16 8.731 6.927 -7.058 1.00 0.00 H new ATOM 0 HA ARG A 16 9.369 4.423 -5.833 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.887 4.863 -8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.426 5.694 -8.389 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.438 2.898 -7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.140 3.103 -9.020 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.431 4.635 -7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.623 2.900 -7.988 1.00 0.00 H new ATOM 0 HE ARG A 16 11.621 3.961 -10.462 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.539 3.864 -8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.626 4.063 -9.840 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.031 4.217 -12.220 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.778 4.261 -11.955 1.00 0.00 H new ATOM 260 N TRP A 17 11.595 6.802 -5.897 1.00 0.00 N ATOM 261 CA TRP A 17 12.900 7.203 -5.412 1.00 0.00 C ATOM 262 C TRP A 17 12.971 7.184 -3.885 1.00 0.00 C ATOM 263 O TRP A 17 13.826 6.522 -3.301 1.00 0.00 O ATOM 264 CB TRP A 17 13.247 8.600 -5.925 1.00 0.00 C ATOM 265 CG TRP A 17 14.637 9.034 -5.575 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.802 8.543 -6.090 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.008 10.046 -4.633 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.875 9.189 -5.525 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.413 10.115 -4.627 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.288 10.900 -3.794 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.110 11.007 -3.815 1.00 0.00 C ATOM 272 CZ3 TRP A 17 14.981 11.783 -2.987 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.380 11.832 -3.005 1.00 0.00 C ATOM 0 H TRP A 17 11.035 7.562 -6.284 1.00 0.00 H new ATOM 0 HA TRP A 17 13.624 6.482 -5.791 1.00 0.00 H new ATOM 0 HB2 TRP A 17 13.130 8.621 -7.009 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.536 9.317 -5.514 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.870 7.762 -6.832 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.856 9.009 -5.739 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.209 10.871 -3.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.189 11.046 -3.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 14.434 12.446 -2.332 1.00 0.00 H new ATOM 0 HH2 TRP A 17 16.893 12.536 -2.366 1.00 0.00 H new ATOM 284 N VAL A 18 12.090 7.951 -3.253 1.00 0.00 N ATOM 285 CA VAL A 18 12.076 8.075 -1.789 1.00 0.00 C ATOM 286 C VAL A 18 11.833 6.761 -1.044 1.00 0.00 C ATOM 287 O VAL A 18 12.663 6.330 -0.242 1.00 0.00 O ATOM 288 CB VAL A 18 11.031 9.112 -1.306 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.505 9.780 -0.023 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.747 10.165 -2.373 1.00 0.00 C ATOM 0 H VAL A 18 11.373 8.500 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 18 13.084 8.410 -1.547 1.00 0.00 H new ATOM 0 HB VAL A 18 10.101 8.578 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.761 10.506 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.641 9.025 0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.452 10.288 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.010 10.874 -1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.668 10.694 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.360 9.680 -3.269 1.00 0.00 H new ATOM 300 N LEU A 19 10.676 6.167 -1.263 1.00 0.00 N ATOM 301 CA LEU A 19 10.288 4.937 -0.560 1.00 0.00 C ATOM 302 C LEU A 19 11.103 3.704 -0.953 1.00 0.00 C ATOM 303 O LEU A 19 11.571 2.966 -0.091 1.00 0.00 O ATOM 304 CB LEU A 19 8.793 4.655 -0.779 1.00 0.00 C ATOM 305 CG LEU A 19 8.014 4.231 0.471 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.493 2.878 0.978 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.133 5.283 1.560 1.00 0.00 C ATOM 0 H LEU A 19 9.978 6.510 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 19 10.499 5.120 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.328 5.551 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.695 3.872 -1.531 1.00 0.00 H new ATOM 0 HG LEU A 19 6.963 4.137 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.925 2.600 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.346 2.126 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.552 2.938 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.573 4.962 2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.182 5.414 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.730 6.229 1.198 1.00 0.00 H new ATOM 319 N GLU A 20 11.234 3.466 -2.241 1.00 0.00 N ATOM 320 CA GLU A 20 11.945 2.298 -2.749 1.00 0.00 C ATOM 321 C GLU A 20 13.433 2.335 -2.482 1.00 0.00 C ATOM 322 O GLU A 20 13.984 1.447 -1.838 1.00 0.00 O ATOM 323 CB GLU A 20 11.739 2.187 -4.245 1.00 0.00 C ATOM 324 CG GLU A 20 10.377 2.621 -4.690 1.00 0.00 C ATOM 325 CD GLU A 20 9.271 1.820 -4.039 1.00 0.00 C ATOM 326 OE1 GLU A 20 8.894 2.154 -2.898 1.00 0.00 O ATOM 327 OE2 GLU A 20 8.788 0.853 -4.667 1.00 0.00 O ATOM 0 H GLU A 20 10.854 4.071 -2.969 1.00 0.00 H new ATOM 0 HA GLU A 20 11.533 1.439 -2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.490 2.792 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.901 1.154 -4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.242 3.677 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.304 2.522 -5.773 1.00 0.00 H new ATOM 334 N ARG A 21 14.085 3.346 -3.032 1.00 0.00 N ATOM 335 CA ARG A 21 15.541 3.463 -2.898 1.00 0.00 C ATOM 336 C ARG A 21 15.981 3.284 -1.448 1.00 0.00 C ATOM 337 O ARG A 21 16.948 2.574 -1.164 1.00 0.00 O ATOM 338 CB ARG A 21 16.029 4.810 -3.424 1.00 0.00 C ATOM 339 CG ARG A 21 15.847 4.987 -4.926 1.00 0.00 C ATOM 340 CD ARG A 21 17.172 4.877 -5.670 1.00 0.00 C ATOM 341 NE ARG A 21 17.054 5.285 -7.070 1.00 0.00 N ATOM 342 CZ ARG A 21 17.862 4.857 -8.040 1.00 0.00 C ATOM 343 NH1 ARG A 21 18.853 4.017 -7.769 1.00 0.00 N ATOM 344 NH2 ARG A 21 17.679 5.275 -9.286 1.00 0.00 N ATOM 0 H ARG A 21 13.643 4.092 -3.570 1.00 0.00 H new ATOM 0 HA ARG A 21 15.987 2.667 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.495 5.607 -2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.085 4.924 -3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.155 4.232 -5.300 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.397 5.959 -5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.918 5.498 -5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.530 3.849 -5.622 1.00 0.00 H new ATOM 0 HE ARG A 21 16.309 5.936 -7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.001 3.694 -6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 21 19.467 3.694 -8.517 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.921 5.923 -9.500 1.00 0.00 H new ATOM 0 HH22 ARG A 21 18.296 4.948 -10.029 1.00 0.00 H new ATOM 358 N ALA A 22 15.265 3.917 -0.529 1.00 0.00 N ATOM 359 CA ALA A 22 15.591 3.805 0.883 1.00 0.00 C ATOM 360 C ALA A 22 15.205 2.435 1.422 1.00 0.00 C ATOM 361 O ALA A 22 15.822 1.928 2.356 1.00 0.00 O ATOM 362 CB ALA A 22 14.909 4.906 1.680 1.00 0.00 C ATOM 0 H ALA A 22 14.460 4.509 -0.735 1.00 0.00 H new ATOM 0 HA ALA A 22 16.669 3.920 0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.166 4.804 2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.243 5.878 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.829 4.826 1.560 1.00 0.00 H new ATOM 368 N LEU A 23 14.189 1.840 0.816 1.00 0.00 N ATOM 369 CA LEU A 23 13.728 0.522 1.224 1.00 0.00 C ATOM 370 C LEU A 23 14.613 -0.562 0.618 1.00 0.00 C ATOM 371 O LEU A 23 14.718 -1.675 1.147 1.00 0.00 O ATOM 372 CB LEU A 23 12.268 0.322 0.816 1.00 0.00 C ATOM 373 CG LEU A 23 11.530 -0.806 1.539 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.942 -0.878 3.003 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.028 -0.610 1.420 1.00 0.00 C ATOM 0 H LEU A 23 13.668 2.249 0.040 1.00 0.00 H new ATOM 0 HA LEU A 23 13.794 0.448 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.730 1.254 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.232 0.127 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 23 11.801 -1.750 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.402 -1.688 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.014 -1.063 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.705 0.066 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.513 -1.419 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.749 0.344 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.743 -0.614 0.368 1.00 0.00 H new ATOM 387 N ALA A 24 15.274 -0.220 -0.483 1.00 0.00 N ATOM 388 CA ALA A 24 16.173 -1.146 -1.138 1.00 0.00 C ATOM 389 C ALA A 24 17.390 -1.354 -0.255 1.00 0.00 C ATOM 390 O ALA A 24 17.930 -2.456 -0.170 1.00 0.00 O ATOM 391 CB ALA A 24 16.574 -0.632 -2.514 1.00 0.00 C ATOM 0 H ALA A 24 15.200 0.691 -0.935 1.00 0.00 H new ATOM 0 HA ALA A 24 15.669 -2.101 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.250 -1.345 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.684 -0.512 -3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.076 0.330 -2.411 1.00 0.00 H new ATOM 397 N GLY A 25 17.796 -0.287 0.434 1.00 0.00 N ATOM 398 CA GLY A 25 18.921 -0.389 1.337 1.00 0.00 C ATOM 399 C GLY A 25 18.642 -1.398 2.435 1.00 0.00 C ATOM 400 O GLY A 25 19.562 -2.008 2.982 1.00 0.00 O ATOM 0 H GLY A 25 17.367 0.637 0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.812 -0.685 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 25 19.129 0.586 1.777 1.00 0.00 H new ATOM 404 N ALA A 26 17.356 -1.577 2.745 1.00 0.00 N ATOM 405 CA ALA A 26 16.935 -2.520 3.768 1.00 0.00 C ATOM 406 C ALA A 26 16.974 -3.953 3.243 1.00 0.00 C ATOM 407 O ALA A 26 16.962 -4.906 4.021 1.00 0.00 O ATOM 408 CB ALA A 26 15.537 -2.173 4.259 1.00 0.00 C ATOM 0 H ALA A 26 16.589 -1.076 2.296 1.00 0.00 H new ATOM 0 HA ALA A 26 17.631 -2.449 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.233 -2.886 5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.538 -1.167 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.837 -2.216 3.424 1.00 0.00 H new ATOM 414 N GLY A 27 17.048 -4.100 1.919 1.00 0.00 N ATOM 415 CA GLY A 27 17.120 -5.422 1.327 1.00 0.00 C ATOM 416 C GLY A 27 15.784 -5.988 0.869 1.00 0.00 C ATOM 417 O GLY A 27 15.624 -7.207 0.825 1.00 0.00 O ATOM 0 H GLY A 27 17.059 -3.329 1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.796 -5.386 0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.559 -6.107 2.053 1.00 0.00 H new ATOM 421 N LEU A 28 14.813 -5.136 0.527 1.00 0.00 N ATOM 422 CA LEU A 28 13.514 -5.641 0.084 1.00 0.00 C ATOM 423 C LEU A 28 13.200 -5.230 -1.353 1.00 0.00 C ATOM 424 O LEU A 28 13.853 -4.352 -1.916 1.00 0.00 O ATOM 425 CB LEU A 28 12.396 -5.176 1.016 1.00 0.00 C ATOM 426 CG LEU A 28 12.818 -4.923 2.460 1.00 0.00 C ATOM 427 CD1 LEU A 28 13.236 -3.488 2.637 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.696 -5.291 3.419 1.00 0.00 C ATOM 0 H LEU A 28 14.898 -4.120 0.547 1.00 0.00 H new ATOM 0 HA LEU A 28 13.572 -6.729 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.967 -4.258 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.605 -5.926 1.011 1.00 0.00 H new ATOM 0 HG LEU A 28 13.674 -5.557 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.535 -3.321 3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.076 -3.270 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.401 -2.833 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.017 -5.103 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.816 -4.687 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.450 -6.347 3.303 1.00 0.00 H new ATOM 440 N THR A 29 12.183 -5.869 -1.938 1.00 0.00 N ATOM 441 CA THR A 29 11.777 -5.560 -3.309 1.00 0.00 C ATOM 442 C THR A 29 10.826 -4.372 -3.309 1.00 0.00 C ATOM 443 O THR A 29 9.658 -4.494 -2.944 1.00 0.00 O ATOM 444 CB THR A 29 11.100 -6.774 -3.952 1.00 0.00 C ATOM 445 OG1 THR A 29 11.961 -7.899 -3.934 1.00 0.00 O ATOM 446 CG2 THR A 29 10.679 -6.541 -5.389 1.00 0.00 C ATOM 0 H THR A 29 11.630 -6.598 -1.487 1.00 0.00 H new ATOM 0 HA THR A 29 12.664 -5.309 -3.890 1.00 0.00 H new ATOM 0 HB THR A 29 10.206 -6.951 -3.354 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.509 -8.664 -4.348 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.207 -7.442 -5.780 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.971 -5.713 -5.431 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.556 -6.300 -5.990 1.00 0.00 H new ATOM 454 N CYS A 30 11.345 -3.222 -3.714 1.00 0.00 N ATOM 455 CA CYS A 30 10.566 -1.986 -3.745 1.00 0.00 C ATOM 456 C CYS A 30 10.193 -1.582 -5.169 1.00 0.00 C ATOM 457 O CYS A 30 11.042 -1.142 -5.943 1.00 0.00 O ATOM 458 CB CYS A 30 11.366 -0.864 -3.085 1.00 0.00 C ATOM 459 SG CYS A 30 13.113 -0.809 -3.561 1.00 0.00 S ATOM 0 H CYS A 30 12.309 -3.116 -4.029 1.00 0.00 H new ATOM 0 HA CYS A 30 9.640 -2.161 -3.198 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.904 0.091 -3.335 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.300 -0.976 -2.003 1.00 0.00 H new ATOM 0 HG CYS A 30 13.771 -0.077 -2.712 1.00 0.00 H new ATOM 465 N THR A 31 8.910 -1.707 -5.496 1.00 0.00 N ATOM 466 CA THR A 31 8.421 -1.324 -6.814 1.00 0.00 C ATOM 467 C THR A 31 7.277 -0.328 -6.647 1.00 0.00 C ATOM 468 O THR A 31 6.596 -0.332 -5.620 1.00 0.00 O ATOM 469 CB THR A 31 7.965 -2.550 -7.619 1.00 0.00 C ATOM 470 OG1 THR A 31 7.961 -2.258 -9.003 1.00 0.00 O ATOM 471 CG2 THR A 31 6.577 -3.038 -7.270 1.00 0.00 C ATOM 0 H THR A 31 8.193 -2.070 -4.868 1.00 0.00 H new ATOM 0 HA THR A 31 9.232 -0.858 -7.373 1.00 0.00 H new ATOM 0 HB THR A 31 8.680 -3.332 -7.363 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.670 -3.049 -9.503 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.332 -3.906 -7.883 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.543 -3.316 -6.217 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.854 -2.244 -7.459 1.00 0.00 H new ATOM 479 N THR A 32 7.074 0.539 -7.632 1.00 0.00 N ATOM 480 CA THR A 32 6.018 1.540 -7.532 1.00 0.00 C ATOM 481 C THR A 32 5.027 1.461 -8.683 1.00 0.00 C ATOM 482 O THR A 32 5.270 0.803 -9.694 1.00 0.00 O ATOM 483 CB THR A 32 6.629 2.925 -7.439 1.00 0.00 C ATOM 484 OG1 THR A 32 7.324 3.253 -8.630 1.00 0.00 O ATOM 485 CG2 THR A 32 7.594 3.041 -6.286 1.00 0.00 C ATOM 0 H THR A 32 7.616 0.570 -8.495 1.00 0.00 H new ATOM 0 HA THR A 32 5.453 1.332 -6.623 1.00 0.00 H new ATOM 0 HB THR A 32 5.800 3.615 -7.283 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.926 4.054 -9.031 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.007 4.049 -6.258 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.071 2.837 -5.352 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.402 2.321 -6.414 1.00 0.00 H new ATOM 493 N PHE A 33 3.883 2.107 -8.485 1.00 0.00 N ATOM 494 CA PHE A 33 2.809 2.092 -9.464 1.00 0.00 C ATOM 495 C PHE A 33 2.198 3.487 -9.671 1.00 0.00 C ATOM 496 O PHE A 33 2.556 4.441 -8.981 1.00 0.00 O ATOM 497 CB PHE A 33 1.766 1.082 -9.017 1.00 0.00 C ATOM 498 CG PHE A 33 2.332 -0.302 -8.866 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.157 -0.609 -7.798 1.00 0.00 C ATOM 500 CD2 PHE A 33 2.050 -1.295 -9.789 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.693 -1.872 -7.653 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.582 -2.562 -9.649 1.00 0.00 C ATOM 503 CZ PHE A 33 3.405 -2.852 -8.582 1.00 0.00 C ATOM 0 H PHE A 33 3.678 2.651 -7.647 1.00 0.00 H new ATOM 0 HA PHE A 33 3.211 1.797 -10.434 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.339 1.402 -8.067 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.952 1.061 -9.741 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.385 0.152 -7.066 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.406 -1.076 -10.628 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.337 -2.094 -6.815 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.353 -3.327 -10.377 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.823 -3.842 -8.473 1.00 0.00 H new ATOM 513 N GLU A 34 1.305 3.598 -10.656 1.00 0.00 N ATOM 514 CA GLU A 34 0.671 4.877 -10.999 1.00 0.00 C ATOM 515 C GLU A 34 -0.191 5.451 -9.866 1.00 0.00 C ATOM 516 O GLU A 34 -0.039 6.619 -9.510 1.00 0.00 O ATOM 517 CB GLU A 34 -0.179 4.718 -12.265 1.00 0.00 C ATOM 518 CG GLU A 34 -1.433 3.877 -12.062 1.00 0.00 C ATOM 519 CD GLU A 34 -1.804 3.058 -13.283 1.00 0.00 C ATOM 520 OE1 GLU A 34 -1.348 3.403 -14.394 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.550 2.068 -13.123 1.00 0.00 O ATOM 0 H GLU A 34 1.002 2.814 -11.234 1.00 0.00 H new ATOM 0 HA GLU A 34 1.480 5.587 -11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.469 5.706 -12.623 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.430 4.262 -13.046 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.281 3.208 -11.215 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.265 4.532 -11.805 1.00 0.00 H new ATOM 528 N ASN A 35 -1.100 4.651 -9.306 1.00 0.00 N ATOM 529 CA ASN A 35 -1.965 5.140 -8.232 1.00 0.00 C ATOM 530 C ASN A 35 -2.737 4.023 -7.541 1.00 0.00 C ATOM 531 O ASN A 35 -3.105 4.150 -6.372 1.00 0.00 O ATOM 532 CB ASN A 35 -2.943 6.184 -8.770 1.00 0.00 C ATOM 533 CG ASN A 35 -2.456 7.600 -8.541 1.00 0.00 C ATOM 534 OD1 ASN A 35 -1.696 7.866 -7.612 1.00 0.00 O ATOM 535 ND2 ASN A 35 -2.896 8.519 -9.392 1.00 0.00 N ATOM 0 H ASN A 35 -1.255 3.679 -9.572 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.311 5.593 -7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.093 6.022 -9.837 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.912 6.053 -8.288 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.604 9.491 -9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.526 8.253 -10.149 1.00 0.00 H new ATOM 542 N GLY A 36 -2.976 2.927 -8.251 1.00 0.00 N ATOM 543 CA GLY A 36 -3.697 1.815 -7.655 1.00 0.00 C ATOM 544 C GLY A 36 -4.000 0.709 -8.642 1.00 0.00 C ATOM 545 O GLY A 36 -3.550 -0.423 -8.468 1.00 0.00 O ATOM 0 H GLY A 36 -2.687 2.787 -9.219 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.110 1.408 -6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.632 2.181 -7.230 1.00 0.00 H new ATOM 549 N ASN A 37 -4.769 1.032 -9.673 1.00 0.00 N ATOM 550 CA ASN A 37 -5.137 0.049 -10.683 1.00 0.00 C ATOM 551 C ASN A 37 -3.906 -0.666 -11.233 1.00 0.00 C ATOM 552 O ASN A 37 -3.985 -1.822 -11.652 1.00 0.00 O ATOM 553 CB ASN A 37 -5.932 0.706 -11.810 1.00 0.00 C ATOM 554 CG ASN A 37 -7.226 -0.036 -12.109 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.099 -0.140 -11.109 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.437 -0.509 -13.225 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.149 1.965 -9.832 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.771 -0.699 -10.207 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.161 1.736 -11.538 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.320 0.742 -12.711 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.740 -0.406 -13.963 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.309 -1.004 -13.413 1.00 0.00 H new ATOM 563 N GLU A 38 -2.768 0.019 -11.216 1.00 0.00 N ATOM 564 CA GLU A 38 -1.524 -0.563 -11.699 1.00 0.00 C ATOM 565 C GLU A 38 -1.181 -1.832 -10.915 1.00 0.00 C ATOM 566 O GLU A 38 -1.048 -2.905 -11.501 1.00 0.00 O ATOM 567 CB GLU A 38 -0.389 0.451 -11.594 1.00 0.00 C ATOM 568 CG GLU A 38 0.797 0.147 -12.499 1.00 0.00 C ATOM 569 CD GLU A 38 0.910 1.110 -13.664 1.00 0.00 C ATOM 570 OE1 GLU A 38 1.520 2.186 -13.487 1.00 0.00 O ATOM 571 OE2 GLU A 38 0.391 0.788 -14.752 1.00 0.00 O ATOM 0 H GLU A 38 -2.682 0.976 -10.873 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.654 -0.833 -12.747 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.775 1.440 -11.838 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.044 0.490 -10.561 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.715 0.185 -11.912 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.705 -0.869 -12.882 1.00 0.00 H new ATOM 578 N VAL A 39 -1.041 -1.717 -9.587 1.00 0.00 N ATOM 579 CA VAL A 39 -0.720 -2.888 -8.766 1.00 0.00 C ATOM 580 C VAL A 39 -1.663 -4.047 -9.061 1.00 0.00 C ATOM 581 O VAL A 39 -1.255 -5.206 -9.066 1.00 0.00 O ATOM 582 CB VAL A 39 -0.808 -2.599 -7.257 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.161 -3.723 -6.469 1.00 0.00 C ATOM 584 CG2 VAL A 39 -0.164 -1.279 -6.912 1.00 0.00 C ATOM 0 H VAL A 39 -1.143 -0.844 -9.069 1.00 0.00 H new ATOM 0 HA VAL A 39 0.306 -3.147 -9.026 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.862 -2.537 -6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.230 -3.506 -5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.675 -4.660 -6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.887 -3.811 -6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.243 -1.105 -5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.887 -1.301 -7.199 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.670 -0.476 -7.448 1.00 0.00 H new ATOM 594 N LEU A 40 -2.932 -3.726 -9.286 1.00 0.00 N ATOM 595 CA LEU A 40 -3.942 -4.742 -9.563 1.00 0.00 C ATOM 596 C LEU A 40 -3.523 -5.642 -10.722 1.00 0.00 C ATOM 597 O LEU A 40 -3.676 -6.862 -10.660 1.00 0.00 O ATOM 598 CB LEU A 40 -5.288 -4.086 -9.881 1.00 0.00 C ATOM 599 CG LEU A 40 -5.696 -2.940 -8.953 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.083 -2.434 -9.317 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.658 -3.384 -7.497 1.00 0.00 C ATOM 0 H LEU A 40 -3.287 -2.770 -9.282 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.043 -5.357 -8.669 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.257 -3.709 -10.903 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.063 -4.852 -9.847 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.982 -2.126 -9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.360 -1.619 -8.648 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.081 -2.074 -10.346 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.804 -3.245 -9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.952 -2.553 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.348 -4.216 -7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.647 -3.701 -7.240 1.00 0.00 H new ATOM 613 N ALA A 41 -3.001 -5.031 -11.779 1.00 0.00 N ATOM 614 CA ALA A 41 -2.567 -5.776 -12.954 1.00 0.00 C ATOM 615 C ALA A 41 -1.337 -6.621 -12.657 1.00 0.00 C ATOM 616 O ALA A 41 -1.290 -7.807 -12.982 1.00 0.00 O ATOM 617 CB ALA A 41 -2.285 -4.823 -14.104 1.00 0.00 C ATOM 0 H ALA A 41 -2.868 -4.022 -11.846 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.374 -6.452 -13.238 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.962 -5.391 -14.976 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.191 -4.269 -14.348 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.500 -4.125 -13.814 1.00 0.00 H new ATOM 623 N ALA A 42 -0.346 -5.995 -12.046 1.00 0.00 N ATOM 624 CA ALA A 42 0.899 -6.673 -11.704 1.00 0.00 C ATOM 625 C ALA A 42 0.679 -7.728 -10.624 1.00 0.00 C ATOM 626 O ALA A 42 1.317 -8.781 -10.635 1.00 0.00 O ATOM 627 CB ALA A 42 1.954 -5.663 -11.268 1.00 0.00 C ATOM 0 H ALA A 42 -0.377 -5.012 -11.774 1.00 0.00 H new ATOM 0 HA ALA A 42 1.258 -7.185 -12.596 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.877 -6.186 -11.016 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.144 -4.962 -12.081 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.597 -5.118 -10.395 1.00 0.00 H new ATOM 633 N LEU A 43 -0.229 -7.445 -9.694 1.00 0.00 N ATOM 634 CA LEU A 43 -0.528 -8.379 -8.615 1.00 0.00 C ATOM 635 C LEU A 43 -1.038 -9.703 -9.168 1.00 0.00 C ATOM 636 O LEU A 43 -0.899 -10.751 -8.537 1.00 0.00 O ATOM 637 CB LEU A 43 -1.567 -7.788 -7.661 1.00 0.00 C ATOM 638 CG LEU A 43 -1.001 -6.925 -6.540 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.108 -6.133 -5.860 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.281 -7.796 -5.535 1.00 0.00 C ATOM 0 H LEU A 43 -0.768 -6.580 -9.666 1.00 0.00 H new ATOM 0 HA LEU A 43 0.397 -8.559 -8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.269 -7.189 -8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.136 -8.605 -7.217 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.292 -6.217 -6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.682 -5.524 -5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.594 -5.487 -6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.841 -6.821 -5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.121 -7.173 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.979 -8.520 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.535 -8.324 -6.029 1.00 0.00 H new ATOM 652 N ALA A 44 -1.629 -9.642 -10.353 1.00 0.00 N ATOM 653 CA ALA A 44 -2.166 -10.830 -11.005 1.00 0.00 C ATOM 654 C ALA A 44 -1.090 -11.896 -11.188 1.00 0.00 C ATOM 655 O ALA A 44 -1.395 -13.074 -11.375 1.00 0.00 O ATOM 656 CB ALA A 44 -2.777 -10.459 -12.348 1.00 0.00 C ATOM 0 H ALA A 44 -1.749 -8.780 -10.885 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.943 -11.246 -10.363 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.175 -11.354 -12.826 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.582 -9.740 -12.195 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.012 -10.016 -12.986 1.00 0.00 H new ATOM 662 N SER A 45 0.170 -11.475 -11.147 1.00 0.00 N ATOM 663 CA SER A 45 1.287 -12.387 -11.323 1.00 0.00 C ATOM 664 C SER A 45 2.250 -12.354 -10.137 1.00 0.00 C ATOM 665 O SER A 45 3.296 -13.003 -10.169 1.00 0.00 O ATOM 666 CB SER A 45 2.041 -12.054 -12.611 1.00 0.00 C ATOM 667 OG SER A 45 1.546 -12.808 -13.702 1.00 0.00 O ATOM 0 H SER A 45 0.440 -10.504 -10.993 1.00 0.00 H new ATOM 0 HA SER A 45 0.875 -13.394 -11.387 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.945 -10.990 -12.827 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.103 -12.257 -12.477 1.00 0.00 H new ATOM 0 HG SER A 45 2.044 -12.575 -14.513 1.00 0.00 H new ATOM 673 N LYS A 46 1.909 -11.602 -9.094 1.00 0.00 N ATOM 674 CA LYS A 46 2.772 -11.510 -7.924 1.00 0.00 C ATOM 675 C LYS A 46 2.026 -10.921 -6.731 1.00 0.00 C ATOM 676 O LYS A 46 1.010 -10.245 -6.892 1.00 0.00 O ATOM 677 CB LYS A 46 4.002 -10.661 -8.246 1.00 0.00 C ATOM 678 CG LYS A 46 5.319 -11.315 -7.860 1.00 0.00 C ATOM 679 CD LYS A 46 6.123 -10.431 -6.919 1.00 0.00 C ATOM 680 CE LYS A 46 7.593 -10.384 -7.307 1.00 0.00 C ATOM 681 NZ LYS A 46 7.918 -9.179 -8.120 1.00 0.00 N ATOM 0 H LYS A 46 1.051 -11.054 -9.036 1.00 0.00 H new ATOM 0 HA LYS A 46 3.090 -12.518 -7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.014 -10.446 -9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.917 -9.705 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.124 -12.275 -7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.903 -11.519 -8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.712 -9.421 -6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.028 -10.804 -5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.206 -10.389 -6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.848 -11.281 -7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.929 -9.186 -8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.352 -9.186 -8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.700 -8.322 -7.573 1.00 0.00 H new ATOM 695 N THR A 47 2.539 -11.179 -5.531 1.00 0.00 N ATOM 696 CA THR A 47 1.923 -10.669 -4.319 1.00 0.00 C ATOM 697 C THR A 47 2.968 -10.157 -3.326 1.00 0.00 C ATOM 698 O THR A 47 3.728 -10.942 -2.755 1.00 0.00 O ATOM 699 CB THR A 47 1.079 -11.759 -3.654 1.00 0.00 C ATOM 700 OG1 THR A 47 0.090 -12.243 -4.544 1.00 0.00 O ATOM 701 CG2 THR A 47 0.374 -11.287 -2.399 1.00 0.00 C ATOM 0 H THR A 47 3.378 -11.738 -5.377 1.00 0.00 H new ATOM 0 HA THR A 47 1.285 -9.833 -4.605 1.00 0.00 H new ATOM 0 HB THR A 47 1.785 -12.545 -3.384 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.437 -12.940 -4.100 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.207 -12.108 -1.977 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.113 -10.953 -1.670 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.292 -10.460 -2.645 1.00 0.00 H new ATOM 709 N PRO A 48 3.004 -8.834 -3.089 1.00 0.00 N ATOM 710 CA PRO A 48 3.940 -8.225 -2.141 1.00 0.00 C ATOM 711 C PRO A 48 3.537 -8.509 -0.698 1.00 0.00 C ATOM 712 O PRO A 48 2.370 -8.775 -0.415 1.00 0.00 O ATOM 713 CB PRO A 48 3.818 -6.732 -2.443 1.00 0.00 C ATOM 714 CG PRO A 48 2.426 -6.573 -2.947 1.00 0.00 C ATOM 715 CD PRO A 48 2.124 -7.831 -3.712 1.00 0.00 C ATOM 0 HA PRO A 48 4.954 -8.612 -2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.989 -6.130 -1.551 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.549 -6.415 -3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.725 -6.438 -2.124 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.339 -5.695 -3.587 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.074 -8.110 -3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.337 -7.715 -4.775 1.00 0.00 H new ATOM 723 N ASP A 49 4.502 -8.454 0.210 1.00 0.00 N ATOM 724 CA ASP A 49 4.228 -8.709 1.619 1.00 0.00 C ATOM 725 C ASP A 49 3.589 -7.492 2.286 1.00 0.00 C ATOM 726 O ASP A 49 2.924 -7.620 3.315 1.00 0.00 O ATOM 727 CB ASP A 49 5.516 -9.090 2.354 1.00 0.00 C ATOM 728 CG ASP A 49 5.965 -10.503 2.041 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.195 -11.447 2.319 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.089 -10.667 1.518 1.00 0.00 O ATOM 0 H ASP A 49 5.476 -8.237 -0.001 1.00 0.00 H new ATOM 0 HA ASP A 49 3.525 -9.540 1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.307 -8.392 2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.361 -8.991 3.428 1.00 0.00 H new ATOM 735 N VAL A 50 3.802 -6.311 1.708 1.00 0.00 N ATOM 736 CA VAL A 50 3.251 -5.083 2.271 1.00 0.00 C ATOM 737 C VAL A 50 2.976 -4.040 1.184 1.00 0.00 C ATOM 738 O VAL A 50 3.875 -3.305 0.778 1.00 0.00 O ATOM 739 CB VAL A 50 4.229 -4.492 3.304 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.575 -4.227 2.651 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.668 -3.227 3.936 1.00 0.00 C ATOM 0 H VAL A 50 4.348 -6.180 0.857 1.00 0.00 H new ATOM 0 HA VAL A 50 2.307 -5.336 2.753 1.00 0.00 H new ATOM 0 HB VAL A 50 4.367 -5.219 4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.261 -3.809 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.982 -5.161 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.449 -3.520 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.382 -2.835 4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.490 -2.481 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.729 -3.457 4.440 1.00 0.00 H new ATOM 751 N LEU A 51 1.729 -3.971 0.718 1.00 0.00 N ATOM 752 CA LEU A 51 1.367 -3.003 -0.315 1.00 0.00 C ATOM 753 C LEU A 51 0.975 -1.661 0.294 1.00 0.00 C ATOM 754 O LEU A 51 0.383 -1.600 1.370 1.00 0.00 O ATOM 755 CB LEU A 51 0.225 -3.531 -1.194 1.00 0.00 C ATOM 756 CG LEU A 51 -0.061 -2.692 -2.445 1.00 0.00 C ATOM 757 CD1 LEU A 51 1.106 -2.769 -3.417 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.347 -3.150 -3.116 1.00 0.00 C ATOM 0 H LEU A 51 0.963 -4.565 1.034 1.00 0.00 H new ATOM 0 HA LEU A 51 2.248 -2.855 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.463 -4.549 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.683 -3.584 -0.593 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.186 -1.653 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.885 -2.168 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.007 -2.389 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.264 -3.806 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.532 -2.542 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.253 -4.196 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.179 -3.041 -2.421 1.00 0.00 H new ATOM 770 N LEU A 52 1.305 -0.589 -0.419 1.00 0.00 N ATOM 771 CA LEU A 52 0.994 0.768 0.021 1.00 0.00 C ATOM 772 C LEU A 52 0.345 1.536 -1.129 1.00 0.00 C ATOM 773 O LEU A 52 0.986 1.779 -2.147 1.00 0.00 O ATOM 774 CB LEU A 52 2.293 1.466 0.453 1.00 0.00 C ATOM 775 CG LEU A 52 2.231 2.291 1.743 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.635 2.684 2.182 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.368 3.531 1.555 1.00 0.00 C ATOM 0 H LEU A 52 1.793 -0.635 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 52 0.303 0.738 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.065 0.706 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.613 2.122 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 52 1.776 1.677 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.579 3.270 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.225 1.785 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.108 3.279 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.340 4.099 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.789 4.151 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.356 3.232 1.282 1.00 0.00 H new ATOM 789 N SER A 53 -0.924 1.907 -0.982 1.00 0.00 N ATOM 790 CA SER A 53 -1.619 2.630 -2.044 1.00 0.00 C ATOM 791 C SER A 53 -2.010 4.044 -1.617 1.00 0.00 C ATOM 792 O SER A 53 -2.351 4.299 -0.459 1.00 0.00 O ATOM 793 CB SER A 53 -2.859 1.855 -2.501 1.00 0.00 C ATOM 794 OG SER A 53 -3.595 2.594 -3.461 1.00 0.00 O ATOM 0 H SER A 53 -1.486 1.723 -0.151 1.00 0.00 H new ATOM 0 HA SER A 53 -0.924 2.719 -2.879 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.558 0.898 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.493 1.636 -1.642 1.00 0.00 H new ATOM 0 HG SER A 53 -3.000 2.867 -4.190 1.00 0.00 H new ATOM 800 N ASP A 54 -1.947 4.967 -2.569 1.00 0.00 N ATOM 801 CA ASP A 54 -2.287 6.356 -2.303 1.00 0.00 C ATOM 802 C ASP A 54 -3.790 6.585 -2.383 1.00 0.00 C ATOM 803 O ASP A 54 -4.540 5.727 -2.852 1.00 0.00 O ATOM 804 CB ASP A 54 -1.578 7.280 -3.289 1.00 0.00 C ATOM 805 CG ASP A 54 -1.457 8.694 -2.757 1.00 0.00 C ATOM 806 OD1 ASP A 54 -0.855 8.869 -1.676 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.971 9.622 -3.415 1.00 0.00 O ATOM 0 H ASP A 54 -1.664 4.777 -3.530 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.955 6.585 -1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.584 6.887 -3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.126 7.293 -4.231 1.00 0.00 H new ATOM 812 N ILE A 55 -4.217 7.753 -1.924 1.00 0.00 N ATOM 813 CA ILE A 55 -5.622 8.119 -1.938 1.00 0.00 C ATOM 814 C ILE A 55 -5.791 9.602 -2.263 1.00 0.00 C ATOM 815 O ILE A 55 -5.857 10.442 -1.365 1.00 0.00 O ATOM 816 CB ILE A 55 -6.295 7.788 -0.584 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.686 8.411 -0.488 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.436 8.249 0.578 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.597 7.690 0.483 1.00 0.00 C ATOM 0 H ILE A 55 -3.602 8.468 -1.534 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.111 7.534 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.401 6.704 -0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.590 9.453 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.146 8.411 -1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.932 8.004 1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.469 7.748 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.288 9.327 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.569 8.183 0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.722 6.655 0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.157 7.713 1.480 1.00 0.00 H new ATOM 831 N ARG A 56 -5.863 9.916 -3.557 1.00 0.00 N ATOM 832 CA ARG A 56 -6.032 11.298 -4.003 1.00 0.00 C ATOM 833 C ARG A 56 -7.335 11.454 -4.780 1.00 0.00 C ATOM 834 O ARG A 56 -7.411 12.216 -5.745 1.00 0.00 O ATOM 835 CB ARG A 56 -4.843 11.749 -4.865 1.00 0.00 C ATOM 836 CG ARG A 56 -4.467 10.772 -5.969 1.00 0.00 C ATOM 837 CD ARG A 56 -3.119 11.122 -6.589 1.00 0.00 C ATOM 838 NE ARG A 56 -3.069 12.505 -7.066 1.00 0.00 N ATOM 839 CZ ARG A 56 -2.498 13.510 -6.397 1.00 0.00 C ATOM 840 NH1 ARG A 56 -1.935 13.301 -5.212 1.00 0.00 N ATOM 841 NH2 ARG A 56 -2.492 14.730 -6.917 1.00 0.00 N ATOM 0 H ARG A 56 -5.807 9.233 -4.313 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.073 11.933 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.079 12.714 -5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.978 11.901 -4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.431 9.760 -5.565 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.237 10.780 -6.741 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.331 10.965 -5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.917 10.446 -7.420 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.498 12.715 -7.967 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.936 12.366 -4.805 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.502 14.076 -4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.923 14.899 -7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.057 15.499 -6.408 1.00 0.00 H new ATOM 855 N MET A 57 -8.360 10.728 -4.344 1.00 0.00 N ATOM 856 CA MET A 57 -9.669 10.778 -4.982 1.00 0.00 C ATOM 857 C MET A 57 -9.630 10.250 -6.420 1.00 0.00 C ATOM 858 O MET A 57 -10.200 10.862 -7.323 1.00 0.00 O ATOM 859 CB MET A 57 -10.222 12.206 -4.959 1.00 0.00 C ATOM 860 CG MET A 57 -11.717 12.286 -5.239 1.00 0.00 C ATOM 861 SD MET A 57 -12.166 13.732 -6.219 1.00 0.00 S ATOM 862 CE MET A 57 -13.836 14.033 -5.642 1.00 0.00 C ATOM 0 H MET A 57 -8.307 10.095 -3.546 1.00 0.00 H new ATOM 0 HA MET A 57 -10.331 10.127 -4.411 1.00 0.00 H new ATOM 0 HB2 MET A 57 -10.019 12.649 -3.984 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.690 12.805 -5.698 1.00 0.00 H new ATOM 0 HG2 MET A 57 -12.033 11.384 -5.764 1.00 0.00 H new ATOM 0 HG3 MET A 57 -12.259 12.311 -4.293 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.249 14.900 -6.158 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.455 13.160 -5.847 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.821 14.223 -4.569 1.00 0.00 H new ATOM 872 N PRO A 58 -8.978 9.092 -6.655 1.00 0.00 N ATOM 873 CA PRO A 58 -8.910 8.496 -7.992 1.00 0.00 C ATOM 874 C PRO A 58 -10.300 8.090 -8.475 1.00 0.00 C ATOM 875 O PRO A 58 -10.907 8.771 -9.302 1.00 0.00 O ATOM 876 CB PRO A 58 -8.011 7.265 -7.803 1.00 0.00 C ATOM 877 CG PRO A 58 -8.051 6.963 -6.340 1.00 0.00 C ATOM 878 CD PRO A 58 -8.289 8.273 -5.644 1.00 0.00 C ATOM 0 HA PRO A 58 -8.522 9.185 -8.742 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.374 6.420 -8.388 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.993 7.468 -8.134 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.845 6.252 -6.112 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.115 6.512 -6.011 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.899 8.145 -4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.353 8.733 -5.328 1.00 0.00 H new ATOM 886 N GLY A 59 -10.813 6.997 -7.919 1.00 0.00 N ATOM 887 CA GLY A 59 -12.144 6.531 -8.257 1.00 0.00 C ATOM 888 C GLY A 59 -13.067 6.692 -7.066 1.00 0.00 C ATOM 889 O GLY A 59 -13.729 7.718 -6.919 1.00 0.00 O ATOM 0 H GLY A 59 -10.324 6.421 -7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.531 7.094 -9.106 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.106 5.484 -8.559 1.00 0.00 H new ATOM 893 N MET A 60 -13.064 5.696 -6.188 1.00 0.00 N ATOM 894 CA MET A 60 -13.863 5.749 -4.970 1.00 0.00 C ATOM 895 C MET A 60 -13.053 6.435 -3.876 1.00 0.00 C ATOM 896 O MET A 60 -12.784 5.851 -2.823 1.00 0.00 O ATOM 897 CB MET A 60 -14.279 4.349 -4.512 1.00 0.00 C ATOM 898 CG MET A 60 -15.342 4.361 -3.426 1.00 0.00 C ATOM 899 SD MET A 60 -16.953 3.810 -4.021 1.00 0.00 S ATOM 900 CE MET A 60 -17.853 5.358 -4.042 1.00 0.00 C ATOM 0 H MET A 60 -12.517 4.842 -6.297 1.00 0.00 H new ATOM 0 HA MET A 60 -14.773 6.313 -5.174 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.653 3.790 -5.370 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.400 3.819 -4.144 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.024 3.719 -2.605 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.434 5.370 -3.024 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.871 5.182 -4.389 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.880 5.777 -3.036 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.357 6.058 -4.714 1.00 0.00 H new ATOM 910 N ASP A 61 -12.656 7.678 -4.164 1.00 0.00 N ATOM 911 CA ASP A 61 -11.860 8.511 -3.260 1.00 0.00 C ATOM 912 C ASP A 61 -10.482 7.919 -2.960 1.00 0.00 C ATOM 913 O ASP A 61 -9.488 8.643 -2.934 1.00 0.00 O ATOM 914 CB ASP A 61 -12.610 8.774 -1.964 1.00 0.00 C ATOM 915 CG ASP A 61 -13.147 10.191 -1.897 1.00 0.00 C ATOM 916 OD1 ASP A 61 -14.238 10.439 -2.454 1.00 0.00 O ATOM 917 OD2 ASP A 61 -12.475 11.053 -1.293 1.00 0.00 O ATOM 0 H ASP A 61 -12.882 8.140 -5.045 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.696 9.455 -3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.436 8.068 -1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.946 8.597 -1.118 1.00 0.00 H new ATOM 922 N GLY A 62 -10.427 6.615 -2.723 1.00 0.00 N ATOM 923 CA GLY A 62 -9.170 5.961 -2.423 1.00 0.00 C ATOM 924 C GLY A 62 -9.381 4.530 -1.985 1.00 0.00 C ATOM 925 O GLY A 62 -8.526 3.671 -2.203 1.00 0.00 O ATOM 0 H GLY A 62 -11.237 5.995 -2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.528 5.982 -3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.651 6.510 -1.637 1.00 0.00 H new ATOM 929 N LEU A 63 -10.530 4.271 -1.369 1.00 0.00 N ATOM 930 CA LEU A 63 -10.848 2.932 -0.915 1.00 0.00 C ATOM 931 C LEU A 63 -11.171 2.030 -2.101 1.00 0.00 C ATOM 932 O LEU A 63 -11.130 0.804 -1.985 1.00 0.00 O ATOM 933 CB LEU A 63 -12.000 2.940 0.094 1.00 0.00 C ATOM 934 CG LEU A 63 -12.013 4.128 1.058 1.00 0.00 C ATOM 935 CD1 LEU A 63 -12.862 5.264 0.507 1.00 0.00 C ATOM 936 CD2 LEU A 63 -12.495 3.699 2.432 1.00 0.00 C ATOM 0 H LEU A 63 -11.249 4.969 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.970 2.534 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.942 2.927 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.958 2.020 0.677 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.992 4.496 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.856 6.097 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.454 5.593 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.885 4.917 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.497 4.559 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.505 3.298 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.830 2.932 2.828 1.00 0.00 H new ATOM 948 N ALA A 64 -11.468 2.637 -3.256 1.00 0.00 N ATOM 949 CA ALA A 64 -11.764 1.860 -4.457 1.00 0.00 C ATOM 950 C ALA A 64 -10.639 0.875 -4.747 1.00 0.00 C ATOM 951 O ALA A 64 -10.858 -0.187 -5.331 1.00 0.00 O ATOM 952 CB ALA A 64 -11.954 2.777 -5.651 1.00 0.00 C ATOM 0 H ALA A 64 -11.509 3.649 -3.381 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.687 1.307 -4.282 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.174 2.181 -6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.782 3.459 -5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.043 3.351 -5.817 1.00 0.00 H new ATOM 958 N LEU A 65 -9.427 1.246 -4.341 1.00 0.00 N ATOM 959 CA LEU A 65 -8.256 0.410 -4.561 1.00 0.00 C ATOM 960 C LEU A 65 -8.337 -0.876 -3.752 1.00 0.00 C ATOM 961 O LEU A 65 -7.730 -1.879 -4.114 1.00 0.00 O ATOM 962 CB LEU A 65 -6.970 1.168 -4.215 1.00 0.00 C ATOM 963 CG LEU A 65 -6.575 2.295 -5.182 1.00 0.00 C ATOM 964 CD1 LEU A 65 -6.975 1.962 -6.612 1.00 0.00 C ATOM 965 CD2 LEU A 65 -7.200 3.613 -4.749 1.00 0.00 C ATOM 0 H LEU A 65 -9.233 2.123 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.234 0.149 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.079 1.593 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.150 0.451 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.490 2.395 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.682 2.779 -7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.475 1.045 -6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.055 1.823 -6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.909 4.400 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.286 3.516 -4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.853 3.869 -3.748 1.00 0.00 H new ATOM 977 N LEU A 66 -9.098 -0.853 -2.664 1.00 0.00 N ATOM 978 CA LEU A 66 -9.253 -2.040 -1.836 1.00 0.00 C ATOM 979 C LEU A 66 -10.231 -2.991 -2.509 1.00 0.00 C ATOM 980 O LEU A 66 -9.969 -4.188 -2.634 1.00 0.00 O ATOM 981 CB LEU A 66 -9.733 -1.669 -0.431 1.00 0.00 C ATOM 982 CG LEU A 66 -9.126 -0.383 0.140 1.00 0.00 C ATOM 983 CD1 LEU A 66 -10.002 0.183 1.243 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.720 -0.642 0.660 1.00 0.00 C ATOM 0 H LEU A 66 -9.612 -0.034 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.286 -2.532 -1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.818 -1.564 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.504 -2.493 0.245 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.069 0.352 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.551 1.096 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.990 0.409 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.094 -0.548 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.305 0.282 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.756 -1.396 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.090 -0.998 -0.155 1.00 0.00 H new ATOM 996 N LYS A 67 -11.351 -2.435 -2.965 1.00 0.00 N ATOM 997 CA LYS A 67 -12.370 -3.215 -3.661 1.00 0.00 C ATOM 998 C LYS A 67 -11.725 -4.124 -4.712 1.00 0.00 C ATOM 999 O LYS A 67 -11.961 -5.330 -4.732 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.385 -2.285 -4.325 1.00 0.00 C ATOM 1001 CG LYS A 67 -13.970 -1.253 -3.375 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.459 -1.054 -3.611 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.279 -1.531 -2.423 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.731 -1.617 -2.744 1.00 0.00 N ATOM 0 H LYS A 67 -11.576 -1.445 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.886 -3.838 -2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.905 -1.771 -5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.195 -2.883 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.804 -1.570 -2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.451 -0.303 -3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.662 0.001 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.763 -1.597 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.920 -2.510 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.133 -0.850 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.253 -1.946 -1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.081 -0.678 -3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.874 -2.287 -3.527 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.895 -3.542 -5.575 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.205 -4.310 -6.606 1.00 0.00 C ATOM 1020 C GLN A 68 -9.243 -5.308 -5.969 1.00 0.00 C ATOM 1021 O GLN A 68 -9.214 -6.485 -6.328 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.406 -3.387 -7.528 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.237 -2.343 -8.258 1.00 0.00 C ATOM 1024 CD GLN A 68 -9.861 -0.925 -7.877 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -8.718 -0.648 -7.519 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -10.824 -0.015 -7.957 1.00 0.00 N ATOM 0 H GLN A 68 -10.685 -2.544 -5.580 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.961 -4.839 -7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.644 -2.878 -6.938 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.884 -3.996 -8.265 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.111 -2.471 -9.333 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.292 -2.506 -8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.759 -0.288 -8.259 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.629 0.957 -7.717 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.443 -4.812 -5.027 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.454 -5.629 -4.332 1.00 0.00 C ATOM 1037 C ILE A 69 -8.089 -6.862 -3.695 1.00 0.00 C ATOM 1038 O ILE A 69 -7.501 -7.944 -3.691 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.714 -4.798 -3.251 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.830 -3.731 -3.917 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.890 -5.684 -2.316 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -4.448 -4.215 -4.309 1.00 0.00 C ATOM 0 H ILE A 69 -8.463 -3.838 -4.726 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.733 -5.965 -5.077 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.466 -4.301 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.338 -3.361 -4.808 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.726 -2.887 -3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.388 -5.063 -1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.548 -6.391 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.146 -6.231 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.894 -3.398 -4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.917 -4.557 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.538 -5.039 -5.017 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.275 -6.685 -3.145 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.985 -7.770 -2.483 1.00 0.00 C ATOM 1056 C LYS A 70 -10.651 -8.713 -3.477 1.00 0.00 C ATOM 1057 O LYS A 70 -10.819 -9.901 -3.204 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.034 -7.204 -1.525 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.182 -6.494 -2.224 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.525 -7.122 -1.889 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.630 -6.573 -2.778 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.877 -7.384 -2.689 1.00 0.00 N ATOM 0 H LYS A 70 -9.773 -5.795 -3.142 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.247 -8.346 -1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.436 -8.016 -0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.550 -6.507 -0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.190 -5.443 -1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.025 -6.525 -3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.463 -8.204 -2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.768 -6.930 -0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.847 -5.544 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.285 -6.551 -3.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.603 -6.974 -3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.678 -8.361 -2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.222 -7.384 -1.708 1.00 0.00 H new ATOM 1076 N GLN A 71 -11.050 -8.171 -4.615 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.726 -8.956 -5.636 1.00 0.00 C ATOM 1078 C GLN A 71 -10.754 -9.857 -6.396 1.00 0.00 C ATOM 1079 O GLN A 71 -11.072 -11.006 -6.706 1.00 0.00 O ATOM 1080 CB GLN A 71 -12.485 -8.013 -6.585 1.00 0.00 C ATOM 1081 CG GLN A 71 -12.771 -8.587 -7.967 1.00 0.00 C ATOM 1082 CD GLN A 71 -11.997 -7.883 -9.067 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -10.800 -7.401 -8.744 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -12.472 -7.770 -10.197 1.00 0.00 N flip ATOM 0 H GLN A 71 -10.918 -7.189 -4.856 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.442 -9.619 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.431 -7.737 -6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.907 -7.096 -6.701 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.520 -9.648 -7.974 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.838 -8.510 -8.174 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.394 -8.154 -10.403 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.944 -7.292 -10.927 1.00 0.00 H new ATOM 1093 N ARG A 72 -9.581 -9.329 -6.707 1.00 0.00 N ATOM 1094 CA ARG A 72 -8.574 -10.088 -7.451 1.00 0.00 C ATOM 1095 C ARG A 72 -7.674 -10.905 -6.528 1.00 0.00 C ATOM 1096 O ARG A 72 -7.401 -12.078 -6.789 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.722 -9.147 -8.309 1.00 0.00 C ATOM 1098 CG ARG A 72 -8.268 -8.941 -9.714 1.00 0.00 C ATOM 1099 CD ARG A 72 -7.231 -9.283 -10.776 1.00 0.00 C ATOM 1100 NE ARG A 72 -7.846 -9.780 -12.008 1.00 0.00 N ATOM 1101 CZ ARG A 72 -8.196 -9.005 -13.034 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -8.014 -7.691 -12.981 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -8.736 -9.547 -14.117 1.00 0.00 N ATOM 0 H ARG A 72 -9.298 -8.381 -6.459 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.109 -10.785 -8.096 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.650 -8.180 -7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.710 -9.547 -8.377 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.153 -9.562 -9.856 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.584 -7.905 -9.834 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.637 -8.397 -11.000 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.546 -10.035 -10.384 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.017 -10.782 -12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.603 -7.266 -12.150 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.285 -7.106 -13.772 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.883 -10.555 -14.164 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.005 -8.956 -14.903 1.00 0.00 H new ATOM 1117 N HIS A 73 -7.203 -10.272 -5.470 1.00 0.00 N ATOM 1118 CA HIS A 73 -6.308 -10.923 -4.510 1.00 0.00 C ATOM 1119 C HIS A 73 -7.059 -11.300 -3.230 1.00 0.00 C ATOM 1120 O HIS A 73 -7.945 -10.571 -2.785 1.00 0.00 O ATOM 1121 CB HIS A 73 -5.121 -9.996 -4.204 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.904 -8.975 -5.280 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -5.043 -7.631 -5.268 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -4.557 -9.310 -6.572 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -4.785 -7.182 -6.540 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -4.492 -8.215 -7.308 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.423 -9.301 -5.246 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.929 -11.846 -4.948 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.294 -9.489 -3.255 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.217 -10.594 -4.086 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.368 -10.312 -6.927 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.817 -6.151 -6.860 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.256 -8.175 -8.299 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.726 -12.460 -2.628 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.389 -12.941 -1.406 1.00 0.00 C ATOM 1137 C PRO A 74 -7.390 -11.914 -0.276 1.00 0.00 C ATOM 1138 O PRO A 74 -8.434 -11.357 0.063 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.571 -14.176 -1.014 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.958 -14.644 -2.286 1.00 0.00 C ATOM 1141 CD PRO A 74 -5.691 -13.404 -3.096 1.00 0.00 C ATOM 0 HA PRO A 74 -8.444 -13.149 -1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.809 -13.928 -0.275 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.204 -14.946 -0.573 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -5.036 -15.193 -2.096 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.628 -15.320 -2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.687 -13.018 -2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.777 -13.596 -4.165 1.00 0.00 H new ATOM 1149 N MET A 75 -6.222 -11.673 0.312 1.00 0.00 N ATOM 1150 CA MET A 75 -6.103 -10.721 1.411 1.00 0.00 C ATOM 1151 C MET A 75 -4.820 -9.904 1.284 1.00 0.00 C ATOM 1152 O MET A 75 -4.074 -9.744 2.251 1.00 0.00 O ATOM 1153 CB MET A 75 -6.126 -11.461 2.752 1.00 0.00 C ATOM 1154 CG MET A 75 -7.285 -12.436 2.897 1.00 0.00 C ATOM 1155 SD MET A 75 -7.795 -12.656 4.614 1.00 0.00 S ATOM 1156 CE MET A 75 -9.024 -13.948 4.448 1.00 0.00 C ATOM 0 H MET A 75 -5.346 -12.123 0.046 1.00 0.00 H new ATOM 0 HA MET A 75 -6.951 -10.037 1.367 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.189 -12.005 2.872 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.176 -10.730 3.559 1.00 0.00 H new ATOM 0 HG2 MET A 75 -8.132 -12.077 2.313 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.997 -13.401 2.481 1.00 0.00 H new ATOM 0 HE1 MET A 75 -9.430 -14.192 5.430 1.00 0.00 H new ATOM 0 HE2 MET A 75 -9.828 -13.604 3.798 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.562 -14.836 4.016 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.570 -9.396 0.082 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.375 -8.603 -0.184 1.00 0.00 C ATOM 1168 C LEU A 76 -3.311 -7.359 0.708 1.00 0.00 C ATOM 1169 O LEU A 76 -4.104 -6.430 0.548 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.340 -8.191 -1.659 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.012 -7.619 -2.141 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.891 -6.179 -1.695 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.854 -8.456 -1.623 1.00 0.00 C ATOM 0 H LEU A 76 -5.181 -9.520 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.507 -9.221 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.586 -9.061 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.121 -7.450 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.978 -7.649 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.941 -5.770 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.711 -5.597 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.933 -6.130 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.087 -8.034 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.865 -8.457 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.952 -9.478 -1.988 1.00 0.00 H new ATOM 1185 N PRO A 77 -2.364 -7.329 1.670 1.00 0.00 N ATOM 1186 CA PRO A 77 -2.197 -6.199 2.598 1.00 0.00 C ATOM 1187 C PRO A 77 -1.818 -4.890 1.901 1.00 0.00 C ATOM 1188 O PRO A 77 -0.752 -4.774 1.298 1.00 0.00 O ATOM 1189 CB PRO A 77 -1.062 -6.653 3.526 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.994 -8.132 3.361 1.00 0.00 C ATOM 1191 CD PRO A 77 -1.390 -8.399 1.940 1.00 0.00 C ATOM 0 HA PRO A 77 -3.132 -5.976 3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.118 -6.182 3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.267 -6.381 4.561 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.011 -8.503 3.564 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.666 -8.635 4.056 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.536 -8.349 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.832 -9.388 1.822 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.708 -3.912 2.007 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.518 -2.594 1.418 1.00 0.00 C ATOM 1201 C VAL A 78 -2.498 -1.516 2.503 1.00 0.00 C ATOM 1202 O VAL A 78 -3.111 -1.674 3.564 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.651 -2.264 0.420 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.261 -1.115 -0.498 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.031 -3.498 -0.388 1.00 0.00 C ATOM 0 H VAL A 78 -3.590 -4.013 2.509 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.563 -2.609 0.892 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.522 -1.948 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.079 -0.907 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.055 -0.226 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.370 -1.387 -1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.830 -3.245 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.162 -3.850 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.373 -4.283 0.286 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.803 -0.415 2.234 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.723 0.688 3.186 1.00 0.00 C ATOM 1217 C ILE A 79 -1.996 2.014 2.492 1.00 0.00 C ATOM 1218 O ILE A 79 -1.224 2.444 1.636 1.00 0.00 O ATOM 1219 CB ILE A 79 -0.345 0.771 3.865 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.075 -0.590 4.419 1.00 0.00 C ATOM 1221 CG2 ILE A 79 -0.370 1.814 4.970 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.513 -0.949 4.117 1.00 0.00 C ATOM 0 H ILE A 79 -1.288 -0.263 1.367 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.478 0.494 3.948 1.00 0.00 H new ATOM 0 HB ILE A 79 0.390 1.069 3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.073 -0.595 5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.577 -1.359 4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.610 1.865 5.444 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.619 2.787 4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.119 1.539 5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.740 -1.927 4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.662 -0.977 3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.174 -0.201 4.555 1.00 0.00 H new ATOM 1234 N ILE A 80 -3.097 2.658 2.858 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.454 3.933 2.255 1.00 0.00 C ATOM 1236 C ILE A 80 -2.979 5.109 3.097 1.00 0.00 C ATOM 1237 O ILE A 80 -2.998 5.060 4.327 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.969 4.051 2.022 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.528 2.738 1.473 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.261 5.197 1.065 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.842 2.278 0.206 1.00 0.00 C ATOM 0 H ILE A 80 -3.752 2.321 3.563 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.948 3.965 1.290 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.456 4.258 2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.429 1.963 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.594 2.858 1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.337 5.273 0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.890 6.130 1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.766 5.011 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.287 1.341 -0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.963 3.035 -0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.781 2.126 0.402 1.00 0.00 H new ATOM 1253 N MET A 81 -2.537 6.162 2.417 1.00 0.00 N ATOM 1254 CA MET A 81 -2.034 7.361 3.093 1.00 0.00 C ATOM 1255 C MET A 81 -3.137 8.103 3.861 1.00 0.00 C ATOM 1256 O MET A 81 -2.862 8.767 4.859 1.00 0.00 O ATOM 1257 CB MET A 81 -1.374 8.305 2.081 1.00 0.00 C ATOM 1258 CG MET A 81 -2.352 9.015 1.155 1.00 0.00 C ATOM 1259 SD MET A 81 -1.789 10.668 0.706 1.00 0.00 S ATOM 1260 CE MET A 81 -2.895 11.058 -0.651 1.00 0.00 C ATOM 0 H MET A 81 -2.515 6.213 1.399 1.00 0.00 H new ATOM 0 HA MET A 81 -1.293 7.032 3.822 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.797 9.054 2.623 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.668 7.735 1.477 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.489 8.422 0.251 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.325 9.084 1.641 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.311 11.276 -1.545 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.549 10.207 -0.843 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.498 11.928 -0.390 1.00 0.00 H new ATOM 1270 N THR A 82 -4.381 7.991 3.392 1.00 0.00 N ATOM 1271 CA THR A 82 -5.512 8.664 4.045 1.00 0.00 C ATOM 1272 C THR A 82 -6.798 7.840 3.919 1.00 0.00 C ATOM 1273 O THR A 82 -6.848 6.878 3.158 1.00 0.00 O ATOM 1274 CB THR A 82 -5.721 10.058 3.444 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.479 10.720 3.262 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.592 10.953 4.299 1.00 0.00 C ATOM 0 H THR A 82 -4.633 7.445 2.568 1.00 0.00 H new ATOM 0 HA THR A 82 -5.275 8.763 5.104 1.00 0.00 H new ATOM 0 HB THR A 82 -6.222 9.888 2.491 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.635 11.607 2.876 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.700 11.924 3.816 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.575 10.497 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.130 11.083 5.278 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.833 8.214 4.679 1.00 0.00 N ATOM 1285 CA ALA A 83 -9.104 7.485 4.645 1.00 0.00 C ATOM 1286 C ALA A 83 -10.287 8.382 4.267 1.00 0.00 C ATOM 1287 O ALA A 83 -11.227 8.542 5.044 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.374 6.822 5.990 1.00 0.00 C ATOM 0 H ALA A 83 -7.816 9.009 5.318 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.007 6.724 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.322 6.285 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.570 6.122 6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.424 7.584 6.768 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.248 8.946 3.064 1.00 0.00 N ATOM 1295 CA HIS A 84 -11.332 9.804 2.589 1.00 0.00 C ATOM 1296 C HIS A 84 -12.568 8.975 2.237 1.00 0.00 C ATOM 1297 O HIS A 84 -12.480 7.762 2.043 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.889 10.591 1.357 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.837 11.618 1.636 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -9.057 12.338 0.795 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -9.485 12.010 2.911 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -8.260 13.144 1.568 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -8.536 12.928 2.840 1.00 0.00 N flip ATOM 0 H HIS A 84 -9.482 8.826 2.401 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.584 10.497 3.392 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.512 9.893 0.609 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.758 11.085 0.922 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.917 11.627 3.824 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.525 13.842 1.195 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -8.093 13.391 3.634 1.00 0.00 H new ATOM 1312 N SER A 85 -13.714 9.644 2.135 1.00 0.00 N ATOM 1313 CA SER A 85 -14.970 8.982 1.783 1.00 0.00 C ATOM 1314 C SER A 85 -15.398 7.964 2.835 1.00 0.00 C ATOM 1315 O SER A 85 -14.864 7.932 3.944 1.00 0.00 O ATOM 1316 CB SER A 85 -14.842 8.293 0.423 1.00 0.00 C ATOM 1317 OG SER A 85 -16.114 7.938 -0.091 1.00 0.00 O ATOM 0 H SER A 85 -13.800 10.648 2.292 1.00 0.00 H new ATOM 0 HA SER A 85 -15.738 9.754 1.735 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.335 8.956 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.224 7.401 0.521 1.00 0.00 H new ATOM 0 HG SER A 85 -16.005 7.501 -0.961 1.00 0.00 H new ATOM 1323 N ASP A 86 -16.378 7.140 2.472 1.00 0.00 N ATOM 1324 CA ASP A 86 -16.907 6.115 3.366 1.00 0.00 C ATOM 1325 C ASP A 86 -15.806 5.185 3.863 1.00 0.00 C ATOM 1326 O ASP A 86 -15.494 4.179 3.227 1.00 0.00 O ATOM 1327 CB ASP A 86 -17.986 5.301 2.648 1.00 0.00 C ATOM 1328 CG ASP A 86 -17.468 4.649 1.381 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.851 5.358 0.559 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -17.679 3.430 1.210 1.00 0.00 O ATOM 0 H ASP A 86 -16.825 7.164 1.555 1.00 0.00 H new ATOM 0 HA ASP A 86 -17.341 6.618 4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -18.365 4.532 3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -18.825 5.952 2.402 1.00 0.00 H new ATOM 1335 N LEU A 87 -15.232 5.521 5.015 1.00 0.00 N ATOM 1336 CA LEU A 87 -14.171 4.719 5.625 1.00 0.00 C ATOM 1337 C LEU A 87 -14.526 3.229 5.660 1.00 0.00 C ATOM 1338 O LEU A 87 -13.648 2.379 5.798 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.876 5.223 7.043 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.442 5.706 7.273 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.332 6.455 8.592 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.472 4.535 7.242 1.00 0.00 C ATOM 0 H LEU A 87 -15.486 6.351 5.551 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.280 4.831 5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.560 6.041 7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.091 4.421 7.749 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.180 6.392 6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.305 6.790 8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.996 7.319 8.576 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.616 5.794 9.411 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.458 4.898 7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.735 3.824 8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.527 4.042 6.271 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.817 2.921 5.556 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.288 1.538 5.602 1.00 0.00 C ATOM 1356 C ASP A 88 -15.471 0.624 4.691 1.00 0.00 C ATOM 1357 O ASP A 88 -15.075 -0.467 5.102 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.761 1.469 5.198 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.668 2.156 6.199 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -18.595 1.814 7.397 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.453 3.034 5.783 1.00 0.00 O ATOM 0 H ASP A 88 -16.558 3.612 5.439 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.166 1.190 6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.888 1.932 4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.059 0.425 5.098 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.215 1.057 3.460 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.441 0.240 2.536 1.00 0.00 C ATOM 1368 C ALA A 89 -13.022 0.043 3.048 1.00 0.00 C ATOM 1369 O ALA A 89 -12.367 -0.940 2.712 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.422 0.854 1.142 1.00 0.00 C ATOM 0 H ALA A 89 -15.527 1.953 3.085 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.924 -0.735 2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.837 0.222 0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.442 0.933 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.974 1.847 1.188 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.556 0.986 3.860 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.209 0.923 4.416 1.00 0.00 C ATOM 1378 C ALA A 90 -11.091 -0.150 5.490 1.00 0.00 C ATOM 1379 O ALA A 90 -10.160 -0.957 5.465 1.00 0.00 O ATOM 1380 CB ALA A 90 -10.794 2.277 4.970 1.00 0.00 C ATOM 0 H ALA A 90 -13.092 1.804 4.148 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.533 0.653 3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.786 2.209 5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.811 3.018 4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.487 2.576 5.757 1.00 0.00 H new ATOM 1386 N VAL A 91 -12.025 -0.163 6.438 1.00 0.00 N ATOM 1387 CA VAL A 91 -11.987 -1.153 7.509 1.00 0.00 C ATOM 1388 C VAL A 91 -12.149 -2.562 6.958 1.00 0.00 C ATOM 1389 O VAL A 91 -11.313 -3.432 7.208 1.00 0.00 O ATOM 1390 CB VAL A 91 -13.052 -0.903 8.589 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -12.706 -1.684 9.851 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -13.177 0.584 8.892 1.00 0.00 C ATOM 0 H VAL A 91 -12.806 0.491 6.486 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.007 -1.052 7.976 1.00 0.00 H new ATOM 0 HB VAL A 91 -14.016 -1.250 8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -13.465 -1.502 10.611 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.671 -2.749 9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.734 -1.361 10.224 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.936 0.736 9.659 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.220 0.964 9.248 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.464 1.117 7.986 1.00 0.00 H new ATOM 1402 N SER A 92 -13.210 -2.783 6.188 1.00 0.00 N ATOM 1403 CA SER A 92 -13.441 -4.092 5.589 1.00 0.00 C ATOM 1404 C SER A 92 -12.240 -4.488 4.740 1.00 0.00 C ATOM 1405 O SER A 92 -11.984 -5.672 4.513 1.00 0.00 O ATOM 1406 CB SER A 92 -14.708 -4.085 4.732 1.00 0.00 C ATOM 1407 OG SER A 92 -14.557 -3.239 3.605 1.00 0.00 O ATOM 0 H SER A 92 -13.916 -2.081 5.966 1.00 0.00 H new ATOM 0 HA SER A 92 -13.575 -4.820 6.389 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.933 -5.099 4.402 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.554 -3.750 5.331 1.00 0.00 H new ATOM 0 HG SER A 92 -14.624 -2.303 3.887 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.492 -3.481 4.289 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.306 -3.712 3.483 1.00 0.00 C ATOM 1415 C ALA A 93 -9.324 -4.598 4.227 1.00 0.00 C ATOM 1416 O ALA A 93 -8.880 -5.623 3.717 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.646 -2.390 3.120 1.00 0.00 C ATOM 0 H ALA A 93 -11.692 -2.498 4.472 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.607 -4.217 2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.759 -2.580 2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.347 -1.777 2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.359 -1.864 4.031 1.00 0.00 H new ATOM 1423 N TYR A 94 -8.991 -4.178 5.437 1.00 0.00 N ATOM 1424 CA TYR A 94 -8.051 -4.916 6.281 1.00 0.00 C ATOM 1425 C TYR A 94 -8.452 -6.378 6.383 1.00 0.00 C ATOM 1426 O TYR A 94 -7.607 -7.269 6.480 1.00 0.00 O ATOM 1427 CB TYR A 94 -7.992 -4.301 7.685 1.00 0.00 C ATOM 1428 CG TYR A 94 -7.977 -2.788 7.693 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -7.092 -2.081 6.894 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -8.850 -2.068 8.500 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -7.076 -0.700 6.896 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -8.838 -0.686 8.509 1.00 0.00 C ATOM 1433 CZ TYR A 94 -7.950 -0.007 7.706 1.00 0.00 C ATOM 1434 OH TYR A 94 -7.939 1.368 7.713 1.00 0.00 O ATOM 0 H TYR A 94 -9.357 -3.326 5.863 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.065 -4.851 5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.851 -4.649 8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.099 -4.666 8.193 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.403 -2.619 6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.549 -2.597 9.130 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.381 -0.165 6.265 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.522 -0.142 9.143 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.300 1.702 6.866 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.752 -6.605 6.354 1.00 0.00 N ATOM 1445 CA GLN A 95 -10.309 -7.946 6.439 1.00 0.00 C ATOM 1446 C GLN A 95 -10.142 -8.678 5.110 1.00 0.00 C ATOM 1447 O GLN A 95 -9.858 -9.876 5.077 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.793 -7.851 6.833 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.645 -9.052 6.440 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.974 -8.642 5.836 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -15.028 -9.151 6.219 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.930 -7.717 4.882 1.00 0.00 N ATOM 0 H GLN A 95 -10.452 -5.868 6.271 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.775 -8.516 7.200 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.858 -7.717 7.913 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.218 -6.958 6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.097 -9.665 5.724 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.824 -9.671 7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.034 -7.322 4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.792 -7.402 4.437 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.335 -7.949 4.019 1.00 0.00 N ATOM 1462 CA GLN A 96 -10.224 -8.517 2.686 1.00 0.00 C ATOM 1463 C GLN A 96 -8.829 -8.318 2.091 1.00 0.00 C ATOM 1464 O GLN A 96 -8.595 -8.645 0.928 1.00 0.00 O ATOM 1465 CB GLN A 96 -11.276 -7.900 1.765 1.00 0.00 C ATOM 1466 CG GLN A 96 -11.207 -6.383 1.692 1.00 0.00 C ATOM 1467 CD GLN A 96 -12.559 -5.749 1.426 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -13.593 -6.269 1.842 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -12.556 -4.614 0.733 1.00 0.00 N ATOM 0 H GLN A 96 -10.571 -6.957 4.034 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.395 -9.590 2.772 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -11.154 -8.310 0.762 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -12.267 -8.194 2.111 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.806 -5.996 2.629 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.512 -6.092 0.904 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.674 -4.218 0.407 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -13.435 -4.140 0.527 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.905 -7.784 2.886 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.554 -7.564 2.403 1.00 0.00 C ATOM 1480 C GLY A 97 -6.110 -6.117 2.520 1.00 0.00 C ATOM 1481 O GLY A 97 -6.130 -5.374 1.538 1.00 0.00 O ATOM 0 H GLY A 97 -8.068 -7.501 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.866 -8.196 2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.492 -7.874 1.360 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.695 -5.720 3.719 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.227 -4.362 3.958 1.00 0.00 C ATOM 1487 C ALA A 98 -4.553 -4.241 5.320 1.00 0.00 C ATOM 1488 O ALA A 98 -5.043 -4.766 6.317 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.361 -3.361 3.821 1.00 0.00 C ATOM 0 H ALA A 98 -5.674 -6.323 4.542 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.482 -4.131 3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.983 -2.355 4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.774 -3.415 2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.141 -3.593 4.546 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.414 -3.556 5.352 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.666 -3.380 6.588 1.00 0.00 C ATOM 1497 C PHE A 99 -3.318 -2.344 7.493 1.00 0.00 C ATOM 1498 O PHE A 99 -3.589 -2.616 8.663 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.229 -2.964 6.286 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.326 -2.999 7.488 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.069 -4.191 8.144 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.268 -1.838 7.960 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.761 -4.226 9.249 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.098 -1.866 9.064 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.345 -3.062 9.710 1.00 0.00 C ATOM 0 H PHE A 99 -2.991 -3.115 4.536 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.665 -4.338 7.109 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.823 -3.622 5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.231 -1.955 5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.522 -5.104 7.788 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.079 -0.900 7.458 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.953 -5.163 9.751 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.553 -0.954 9.422 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.993 -3.087 10.573 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.567 -1.149 6.957 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.182 -0.082 7.747 1.00 0.00 C ATOM 1517 C ASP A 100 -4.322 1.213 6.949 1.00 0.00 C ATOM 1518 O ASP A 100 -4.065 1.251 5.745 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.365 0.176 9.017 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.232 0.233 10.259 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -5.415 0.612 10.140 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -3.727 -0.103 11.352 1.00 0.00 O ATOM 0 H ASP A 100 -3.356 -0.897 5.991 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.184 -0.415 8.018 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.620 -0.611 9.133 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.822 1.116 8.912 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.735 2.272 7.640 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.920 3.583 7.024 1.00 0.00 C ATOM 1529 C TYR A 101 -4.215 4.660 7.844 1.00 0.00 C ATOM 1530 O TYR A 101 -4.035 4.512 9.052 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.411 3.914 6.920 1.00 0.00 C ATOM 1532 CG TYR A 101 -7.024 3.620 5.567 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.258 2.315 5.158 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.391 4.651 4.709 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -7.839 2.044 3.932 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.970 4.389 3.482 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.194 3.084 3.098 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.778 2.818 1.882 1.00 0.00 O ATOM 0 H TYR A 101 -4.950 2.247 8.637 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.488 3.556 6.024 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.950 3.349 7.680 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.553 4.970 7.148 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.982 1.497 5.807 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -7.220 5.675 5.007 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.014 1.022 3.629 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.246 5.202 2.827 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.967 3.661 1.418 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.826 5.745 7.186 1.00 0.00 N ATOM 1549 CA LEU A 102 -3.149 6.843 7.867 1.00 0.00 C ATOM 1550 C LEU A 102 -4.106 8.018 8.078 1.00 0.00 C ATOM 1551 O LEU A 102 -4.604 8.596 7.114 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.937 7.299 7.046 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.574 6.899 7.614 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.531 5.418 7.934 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.527 7.252 6.634 1.00 0.00 C ATOM 0 H LEU A 102 -3.967 5.889 6.186 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.812 6.490 8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.027 6.891 6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.969 8.385 6.954 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.418 7.453 8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.449 5.161 8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.299 5.183 8.671 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.712 4.844 7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.492 6.962 7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.363 6.722 5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.519 8.326 6.450 1.00 0.00 H new ATOM 1567 N PRO A 103 -4.374 8.398 9.341 1.00 0.00 N ATOM 1568 CA PRO A 103 -5.272 9.512 9.639 1.00 0.00 C ATOM 1569 C PRO A 103 -4.632 10.859 9.321 1.00 0.00 C ATOM 1570 O PRO A 103 -5.014 11.529 8.361 1.00 0.00 O ATOM 1571 CB PRO A 103 -5.543 9.382 11.138 1.00 0.00 C ATOM 1572 CG PRO A 103 -4.407 8.586 11.692 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.825 7.776 10.560 1.00 0.00 C ATOM 0 HA PRO A 103 -6.180 9.474 9.037 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.600 10.362 11.611 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.495 8.884 11.321 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.651 9.244 12.121 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.752 7.932 12.493 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.736 7.810 10.567 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.112 6.727 10.634 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.657 11.246 10.131 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.959 12.510 9.939 1.00 0.00 C ATOM 1583 C LYS A 104 -1.528 12.294 9.436 1.00 0.00 C ATOM 1584 O LYS A 104 -1.163 12.797 8.373 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.946 13.320 11.238 1.00 0.00 C ATOM 1586 CG LYS A 104 -2.270 14.673 11.093 1.00 0.00 C ATOM 1587 CD LYS A 104 -1.201 14.884 12.152 1.00 0.00 C ATOM 1588 CE LYS A 104 -0.669 16.307 12.120 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.171 16.562 10.918 1.00 0.00 N ATOM 0 H LYS A 104 -3.330 10.702 10.929 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.500 13.071 9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.971 13.468 11.577 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.435 12.747 12.011 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.821 14.751 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.017 15.463 11.168 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.614 14.670 13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.382 14.183 11.990 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.505 17.007 12.133 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.082 16.495 13.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.513 17.544 10.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.983 15.912 10.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.396 16.408 10.060 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.686 11.555 10.190 1.00 0.00 N ATOM 1604 CA PRO A 105 0.706 11.304 9.795 1.00 0.00 C ATOM 1605 C PRO A 105 0.827 10.632 8.430 1.00 0.00 C ATOM 1606 O PRO A 105 -0.068 9.905 7.999 1.00 0.00 O ATOM 1607 CB PRO A 105 1.242 10.372 10.892 1.00 0.00 C ATOM 1608 CG PRO A 105 0.034 9.840 11.582 1.00 0.00 C ATOM 1609 CD PRO A 105 -1.005 10.915 11.479 1.00 0.00 C ATOM 0 HA PRO A 105 1.260 12.238 9.700 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.838 9.565 10.466 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.886 10.912 11.587 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.310 8.918 11.112 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.251 9.605 12.624 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.014 10.504 11.488 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.941 11.620 12.308 1.00 0.00 H new ATOM 1617 N PHE A 106 1.952 10.875 7.764 1.00 0.00 N ATOM 1618 CA PHE A 106 2.217 10.292 6.455 1.00 0.00 C ATOM 1619 C PHE A 106 3.714 10.395 6.122 1.00 0.00 C ATOM 1620 O PHE A 106 4.537 9.828 6.839 1.00 0.00 O ATOM 1621 CB PHE A 106 1.343 10.964 5.384 1.00 0.00 C ATOM 1622 CG PHE A 106 1.459 10.333 4.023 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.452 8.955 3.873 1.00 0.00 C ATOM 1624 CD2 PHE A 106 1.581 11.123 2.891 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.567 8.378 2.625 1.00 0.00 C ATOM 1626 CE2 PHE A 106 1.699 10.551 1.639 1.00 0.00 C ATOM 1627 CZ PHE A 106 1.691 9.176 1.506 1.00 0.00 C ATOM 0 H PHE A 106 2.699 11.476 8.113 1.00 0.00 H new ATOM 0 HA PHE A 106 1.956 9.234 6.473 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.301 10.928 5.703 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.618 12.016 5.311 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.355 8.325 4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.584 12.199 2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.560 7.303 2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.797 11.178 0.765 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.782 8.726 0.528 1.00 0.00 H new ATOM 1637 N ASP A 107 4.075 11.109 5.048 1.00 0.00 N ATOM 1638 CA ASP A 107 5.481 11.258 4.656 1.00 0.00 C ATOM 1639 C ASP A 107 6.242 9.930 4.776 1.00 0.00 C ATOM 1640 O ASP A 107 5.665 8.906 5.137 1.00 0.00 O ATOM 1641 CB ASP A 107 6.154 12.344 5.498 1.00 0.00 C ATOM 1642 CG ASP A 107 6.232 11.980 6.967 1.00 0.00 C ATOM 1643 OD1 ASP A 107 7.049 11.104 7.316 1.00 0.00 O ATOM 1644 OD2 ASP A 107 5.475 12.569 7.767 1.00 0.00 O ATOM 0 H ASP A 107 3.415 11.591 4.437 1.00 0.00 H new ATOM 0 HA ASP A 107 5.508 11.558 3.609 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.160 12.522 5.118 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.602 13.278 5.388 1.00 0.00 H new ATOM 1649 N ILE A 108 7.531 9.941 4.458 1.00 0.00 N ATOM 1650 CA ILE A 108 8.338 8.724 4.530 1.00 0.00 C ATOM 1651 C ILE A 108 8.531 8.251 5.965 1.00 0.00 C ATOM 1652 O ILE A 108 8.486 7.054 6.247 1.00 0.00 O ATOM 1653 CB ILE A 108 9.700 8.903 3.822 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.731 8.043 2.565 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.866 8.544 4.731 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.695 8.447 1.542 1.00 0.00 C ATOM 0 H ILE A 108 8.039 10.770 4.150 1.00 0.00 H new ATOM 0 HA ILE A 108 7.783 7.949 4.001 1.00 0.00 H new ATOM 0 HB ILE A 108 9.809 9.955 3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.721 8.106 2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.572 7.001 2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.803 8.684 4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.853 9.187 5.611 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.778 7.503 5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.770 7.796 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.700 8.358 1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.867 9.480 1.238 1.00 0.00 H new ATOM 1668 N ASP A 109 8.761 9.192 6.861 1.00 0.00 N ATOM 1669 CA ASP A 109 8.980 8.867 8.268 1.00 0.00 C ATOM 1670 C ASP A 109 7.904 7.924 8.798 1.00 0.00 C ATOM 1671 O ASP A 109 8.209 6.833 9.271 1.00 0.00 O ATOM 1672 CB ASP A 109 9.017 10.139 9.118 1.00 0.00 C ATOM 1673 CG ASP A 109 9.501 9.872 10.531 1.00 0.00 C ATOM 1674 OD1 ASP A 109 10.349 8.972 10.707 1.00 0.00 O ATOM 1675 OD2 ASP A 109 9.030 10.562 11.459 1.00 0.00 O ATOM 0 H ASP A 109 8.802 10.188 6.645 1.00 0.00 H new ATOM 0 HA ASP A 109 9.943 8.362 8.338 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.671 10.871 8.644 1.00 0.00 H new ATOM 0 HB3 ASP A 109 8.020 10.578 9.154 1.00 0.00 H new ATOM 1680 N GLU A 110 6.646 8.348 8.723 1.00 0.00 N ATOM 1681 CA GLU A 110 5.544 7.530 9.206 1.00 0.00 C ATOM 1682 C GLU A 110 5.196 6.426 8.215 1.00 0.00 C ATOM 1683 O GLU A 110 4.783 5.335 8.609 1.00 0.00 O ATOM 1684 CB GLU A 110 4.315 8.394 9.502 1.00 0.00 C ATOM 1685 CG GLU A 110 4.509 9.332 10.681 1.00 0.00 C ATOM 1686 CD GLU A 110 4.559 8.596 12.006 1.00 0.00 C ATOM 1687 OE1 GLU A 110 3.854 7.574 12.143 1.00 0.00 O ATOM 1688 OE2 GLU A 110 5.301 9.042 12.905 1.00 0.00 O ATOM 0 H GLU A 110 6.368 9.249 8.334 1.00 0.00 H new ATOM 0 HA GLU A 110 5.866 7.057 10.134 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.070 8.981 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.462 7.745 9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.433 9.894 10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.695 10.057 10.702 1.00 0.00 H new ATOM 1695 N ALA A 111 5.377 6.705 6.931 1.00 0.00 N ATOM 1696 CA ALA A 111 5.093 5.715 5.898 1.00 0.00 C ATOM 1697 C ALA A 111 6.042 4.534 6.035 1.00 0.00 C ATOM 1698 O ALA A 111 5.618 3.409 6.298 1.00 0.00 O ATOM 1699 CB ALA A 111 5.205 6.333 4.511 1.00 0.00 C ATOM 0 H ALA A 111 5.716 7.601 6.581 1.00 0.00 H new ATOM 0 HA ALA A 111 4.070 5.362 6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.989 5.576 3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.491 7.151 4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.215 6.715 4.363 1.00 0.00 H new ATOM 1705 N VAL A 112 7.333 4.805 5.873 1.00 0.00 N ATOM 1706 CA VAL A 112 8.352 3.769 5.998 1.00 0.00 C ATOM 1707 C VAL A 112 8.298 3.121 7.374 1.00 0.00 C ATOM 1708 O VAL A 112 8.602 1.940 7.541 1.00 0.00 O ATOM 1709 CB VAL A 112 9.766 4.333 5.778 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.794 3.213 5.837 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.842 5.077 4.456 1.00 0.00 C ATOM 0 H VAL A 112 7.698 5.732 5.655 1.00 0.00 H new ATOM 0 HA VAL A 112 8.141 3.027 5.228 1.00 0.00 H new ATOM 0 HB VAL A 112 9.990 5.042 6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.791 3.625 5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.751 2.731 6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.578 2.480 5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.849 5.469 4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.602 4.395 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.129 5.901 4.461 1.00 0.00 H new ATOM 1721 N ALA A 113 7.906 3.904 8.358 1.00 0.00 N ATOM 1722 CA ALA A 113 7.800 3.414 9.721 1.00 0.00 C ATOM 1723 C ALA A 113 6.747 2.328 9.806 1.00 0.00 C ATOM 1724 O ALA A 113 6.951 1.286 10.423 1.00 0.00 O ATOM 1725 CB ALA A 113 7.431 4.549 10.653 1.00 0.00 C ATOM 0 H ALA A 113 7.654 4.886 8.241 1.00 0.00 H new ATOM 0 HA ALA A 113 8.764 3.002 10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.354 4.172 11.673 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.200 5.321 10.609 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.474 4.973 10.349 1.00 0.00 H new ATOM 1731 N LEU A 114 5.611 2.607 9.187 1.00 0.00 N ATOM 1732 CA LEU A 114 4.483 1.697 9.178 1.00 0.00 C ATOM 1733 C LEU A 114 4.685 0.540 8.206 1.00 0.00 C ATOM 1734 O LEU A 114 4.050 -0.507 8.342 1.00 0.00 O ATOM 1735 CB LEU A 114 3.216 2.468 8.811 1.00 0.00 C ATOM 1736 CG LEU A 114 1.957 1.620 8.652 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.219 1.506 9.974 1.00 0.00 C ATOM 1738 CD2 LEU A 114 1.058 2.213 7.578 1.00 0.00 C ATOM 0 H LEU A 114 5.447 3.474 8.676 1.00 0.00 H new ATOM 0 HA LEU A 114 4.390 1.269 10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.033 3.219 9.579 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.394 3.003 7.878 1.00 0.00 H new ATOM 0 HG LEU A 114 2.248 0.616 8.342 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.324 0.898 9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.868 1.038 10.714 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.934 2.500 10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.163 1.600 7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.773 3.226 7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.593 2.239 6.629 1.00 0.00 H new ATOM 1750 N VAL A 115 5.548 0.725 7.216 1.00 0.00 N ATOM 1751 CA VAL A 115 5.780 -0.328 6.236 1.00 0.00 C ATOM 1752 C VAL A 115 6.716 -1.401 6.777 1.00 0.00 C ATOM 1753 O VAL A 115 6.447 -2.595 6.652 1.00 0.00 O ATOM 1754 CB VAL A 115 6.325 0.218 4.897 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.802 0.567 4.995 1.00 0.00 C ATOM 1756 CG2 VAL A 115 6.086 -0.790 3.783 1.00 0.00 C ATOM 0 H VAL A 115 6.090 1.577 7.071 1.00 0.00 H new ATOM 0 HA VAL A 115 4.806 -0.776 6.041 1.00 0.00 H new ATOM 0 HB VAL A 115 5.786 1.137 4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 115 8.150 0.948 4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.946 1.329 5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 115 8.370 -0.325 5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.474 -0.394 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.596 -1.724 4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.017 -0.976 3.684 1.00 0.00 H new ATOM 1766 N GLU A 116 7.813 -0.970 7.386 1.00 0.00 N ATOM 1767 CA GLU A 116 8.782 -1.900 7.949 1.00 0.00 C ATOM 1768 C GLU A 116 8.164 -2.698 9.091 1.00 0.00 C ATOM 1769 O GLU A 116 8.280 -3.923 9.139 1.00 0.00 O ATOM 1770 CB GLU A 116 10.019 -1.143 8.432 1.00 0.00 C ATOM 1771 CG GLU A 116 10.876 -0.610 7.297 1.00 0.00 C ATOM 1772 CD GLU A 116 12.268 -0.218 7.751 1.00 0.00 C ATOM 1773 OE1 GLU A 116 12.379 0.554 8.727 1.00 0.00 O ATOM 1774 OE2 GLU A 116 13.247 -0.686 7.134 1.00 0.00 O ATOM 0 H GLU A 116 8.053 0.014 7.502 1.00 0.00 H new ATOM 0 HA GLU A 116 9.082 -2.601 7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.705 -0.311 9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.622 -1.805 9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.952 -1.368 6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.386 0.256 6.852 1.00 0.00 H new ATOM 1781 N ARG A 117 7.493 -2.001 10.006 1.00 0.00 N ATOM 1782 CA ARG A 117 6.848 -2.660 11.135 1.00 0.00 C ATOM 1783 C ARG A 117 5.799 -3.649 10.644 1.00 0.00 C ATOM 1784 O ARG A 117 5.504 -4.647 11.306 1.00 0.00 O ATOM 1785 CB ARG A 117 6.202 -1.630 12.065 1.00 0.00 C ATOM 1786 CG ARG A 117 5.041 -0.879 11.432 1.00 0.00 C ATOM 1787 CD ARG A 117 4.007 -0.469 12.467 1.00 0.00 C ATOM 1788 NE ARG A 117 4.521 0.549 13.382 1.00 0.00 N ATOM 1789 CZ ARG A 117 4.483 0.453 14.710 1.00 0.00 C ATOM 1790 NH1 ARG A 117 3.965 -0.620 15.298 1.00 0.00 N ATOM 1791 NH2 ARG A 117 4.972 1.437 15.457 1.00 0.00 N ATOM 0 H ARG A 117 7.383 -0.987 9.987 1.00 0.00 H new ATOM 0 HA ARG A 117 7.611 -3.203 11.693 1.00 0.00 H new ATOM 0 HB2 ARG A 117 5.849 -2.136 12.964 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.959 -0.912 12.380 1.00 0.00 H new ATOM 0 HG2 ARG A 117 5.416 0.008 10.921 1.00 0.00 H new ATOM 0 HG3 ARG A 117 4.570 -1.507 10.676 1.00 0.00 H new ATOM 0 HD2 ARG A 117 3.120 -0.087 11.962 1.00 0.00 H new ATOM 0 HD3 ARG A 117 3.697 -1.345 13.037 1.00 0.00 H new ATOM 0 HE ARG A 117 4.936 1.388 12.977 1.00 0.00 H new ATOM 0 HH11 ARG A 117 3.591 -1.381 14.732 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.941 -0.682 16.316 1.00 0.00 H new ATOM 0 HH21 ARG A 117 5.375 2.262 15.013 1.00 0.00 H new ATOM 0 HH22 ARG A 117 4.945 1.367 16.474 1.00 0.00 H new ATOM 1805 N ALA A 118 5.244 -3.364 9.474 1.00 0.00 N ATOM 1806 CA ALA A 118 4.229 -4.217 8.874 1.00 0.00 C ATOM 1807 C ALA A 118 4.819 -5.565 8.481 1.00 0.00 C ATOM 1808 O ALA A 118 4.248 -6.615 8.773 1.00 0.00 O ATOM 1809 CB ALA A 118 3.612 -3.532 7.665 1.00 0.00 C ATOM 0 H ALA A 118 5.482 -2.542 8.919 1.00 0.00 H new ATOM 0 HA ALA A 118 3.447 -4.392 9.613 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.854 -4.181 7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.151 -2.594 7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.388 -3.329 6.927 1.00 0.00 H new ATOM 1815 N ILE A 119 5.973 -5.525 7.820 1.00 0.00 N ATOM 1816 CA ILE A 119 6.647 -6.741 7.391 1.00 0.00 C ATOM 1817 C ILE A 119 7.210 -7.494 8.587 1.00 0.00 C ATOM 1818 O ILE A 119 7.310 -8.723 8.576 1.00 0.00 O ATOM 1819 CB ILE A 119 7.798 -6.429 6.417 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.336 -5.464 5.331 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.332 -7.709 5.795 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.396 -4.461 4.939 1.00 0.00 C ATOM 0 H ILE A 119 6.458 -4.663 7.571 1.00 0.00 H new ATOM 0 HA ILE A 119 5.905 -7.357 6.883 1.00 0.00 H new ATOM 0 HB ILE A 119 8.602 -5.955 6.980 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.039 -6.033 4.450 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.451 -4.931 5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.145 -7.469 5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.702 -8.368 6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.532 -8.209 5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.005 -3.803 4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.676 -3.868 5.810 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.273 -4.987 4.561 1.00 0.00 H new ATOM 1834 N SER A 120 7.579 -6.744 9.611 1.00 0.00 N ATOM 1835 CA SER A 120 8.140 -7.316 10.827 1.00 0.00 C ATOM 1836 C SER A 120 7.104 -8.148 11.574 1.00 0.00 C ATOM 1837 O SER A 120 7.399 -9.245 12.048 1.00 0.00 O ATOM 1838 CB SER A 120 8.668 -6.202 11.733 1.00 0.00 C ATOM 1839 OG SER A 120 9.457 -6.729 12.786 1.00 0.00 O ATOM 0 H SER A 120 7.500 -5.727 9.625 1.00 0.00 H new ATOM 0 HA SER A 120 8.962 -7.973 10.545 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.262 -5.502 11.145 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.831 -5.640 12.148 1.00 0.00 H new ATOM 0 HG SER A 120 9.783 -5.996 13.349 1.00 0.00 H new ATOM 1845 N HIS A 121 5.889 -7.619 11.678 1.00 0.00 N ATOM 1846 CA HIS A 121 4.809 -8.312 12.371 1.00 0.00 C ATOM 1847 C HIS A 121 4.379 -9.559 11.610 1.00 0.00 C ATOM 1848 O HIS A 121 3.857 -10.509 12.196 1.00 0.00 O ATOM 1849 CB HIS A 121 3.614 -7.380 12.561 1.00 0.00 C ATOM 1850 CG HIS A 121 3.712 -6.524 13.785 1.00 0.00 C ATOM 1851 ND1 HIS A 121 4.740 -5.630 13.997 1.00 0.00 N ATOM 1852 CD2 HIS A 121 2.905 -6.432 14.870 1.00 0.00 C ATOM 1853 CE1 HIS A 121 4.563 -5.025 15.157 1.00 0.00 C ATOM 1854 NE2 HIS A 121 3.457 -5.492 15.706 1.00 0.00 N ATOM 0 H HIS A 121 5.628 -6.712 11.291 1.00 0.00 H new ATOM 0 HA HIS A 121 5.182 -8.618 13.348 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.521 -6.738 11.685 1.00 0.00 H new ATOM 0 HB3 HIS A 121 2.703 -7.977 12.617 1.00 0.00 H new ATOM 0 HD1 HIS A 121 5.516 -5.462 13.357 1.00 0.00 H new ATOM 0 HD2 HIS A 121 1.998 -6.992 15.045 1.00 0.00 H new ATOM 0 HE1 HIS A 121 5.213 -4.275 15.584 1.00 0.00 H new