USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 THR OG1 : rot 90:sc= -1.18 USER MOD Set 1.2: A 56 SER OG : rot 150:sc= 0.732 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 150:sc= -1.52 (180deg=-3.1!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= 1.29 (180deg=0.416) USER MOD Single : A 29 SER OG : rot 71:sc= 0.906 USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= -0.0873 (180deg=-0.442) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0505) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 88:sc= 1.28 USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.06 K(o=-1.1,f=-6.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.15 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= 1.49 (180deg=0.843) USER MOD Single : A 68 SER OG : rot -140:sc= 1.28 USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= 1.15 (180deg=0.809) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -81:sc= 1.03 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 88 HIS :FLIP no HD1:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0.148 K(o=0.15,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.117 -8.773 -19.679 1.00 0.00 N ATOM 2 CA ALA A 1 12.253 -8.344 -18.840 1.00 71.14 C ATOM 3 C ALA A 1 12.087 -6.887 -18.425 1.00 12.32 C ATOM 4 O ALA A 1 12.460 -5.971 -19.159 1.00 53.50 O ATOM 5 CB ALA A 1 13.569 -8.548 -19.578 1.00 11.20 C ATOM 0 H1 ALA A 1 11.245 -9.768 -19.954 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.232 -8.673 -19.142 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.073 -8.181 -20.533 1.00 0.00 H new ATOM 0 HA ALA A 1 12.269 -8.957 -17.939 1.00 71.14 H new ATOM 0 HB1 ALA A 1 14.395 -8.226 -18.944 1.00 11.20 H new ATOM 0 HB2 ALA A 1 13.689 -9.603 -19.823 1.00 11.20 H new ATOM 0 HB3 ALA A 1 13.566 -7.961 -20.496 1.00 11.20 H new ATOM 13 N GLY A 2 11.491 -6.680 -17.262 1.00 11.43 N ATOM 14 CA GLY A 2 11.306 -5.338 -16.754 1.00 71.32 C ATOM 15 C GLY A 2 11.777 -5.214 -15.325 1.00 42.43 C ATOM 16 O GLY A 2 10.975 -5.006 -14.415 1.00 54.21 O ATOM 0 H GLY A 2 11.131 -7.420 -16.659 1.00 11.43 H new ATOM 0 HA2 GLY A 2 11.853 -4.633 -17.380 1.00 71.32 H new ATOM 0 HA3 GLY A 2 10.252 -5.068 -16.815 1.00 71.32 H new ATOM 20 N GLU A 3 13.078 -5.364 -15.125 1.00 5.31 N ATOM 21 CA GLU A 3 13.658 -5.316 -13.794 1.00 4.11 C ATOM 22 C GLU A 3 13.554 -3.915 -13.204 1.00 3.01 C ATOM 23 O GLU A 3 14.150 -2.969 -13.717 1.00 12.40 O ATOM 24 CB GLU A 3 15.120 -5.748 -13.845 1.00 51.55 C ATOM 25 CG GLU A 3 15.493 -6.763 -12.782 1.00 22.34 C ATOM 26 CD GLU A 3 16.950 -7.155 -12.850 1.00 11.35 C ATOM 27 OE1 GLU A 3 17.311 -7.978 -13.714 1.00 41.35 O ATOM 28 OE2 GLU A 3 17.743 -6.645 -12.027 1.00 62.40 O ATOM 0 H GLU A 3 13.754 -5.521 -15.873 1.00 5.31 H new ATOM 0 HA GLU A 3 13.100 -6.001 -13.155 1.00 4.11 H new ATOM 0 HB2 GLU A 3 15.331 -6.170 -14.828 1.00 51.55 H new ATOM 0 HB3 GLU A 3 15.754 -4.868 -13.733 1.00 51.55 H new ATOM 0 HG2 GLU A 3 15.276 -6.351 -11.797 1.00 22.34 H new ATOM 0 HG3 GLU A 3 14.874 -7.652 -12.899 1.00 22.34 H new ATOM 35 N ILE A 4 12.779 -3.795 -12.135 1.00 72.30 N ATOM 36 CA ILE A 4 12.614 -2.524 -11.442 1.00 44.43 C ATOM 37 C ILE A 4 13.737 -2.358 -10.416 1.00 51.32 C ATOM 38 O ILE A 4 14.402 -3.334 -10.058 1.00 33.41 O ATOM 39 CB ILE A 4 11.236 -2.435 -10.734 1.00 23.33 C ATOM 40 CG1 ILE A 4 10.120 -2.963 -11.647 1.00 53.24 C ATOM 41 CG2 ILE A 4 10.927 -1.001 -10.318 1.00 13.15 C ATOM 42 CD1 ILE A 4 9.937 -2.166 -12.925 1.00 63.45 C ATOM 0 H ILE A 4 12.252 -4.567 -11.727 1.00 72.30 H new ATOM 0 HA ILE A 4 12.660 -1.723 -12.180 1.00 44.43 H new ATOM 0 HB ILE A 4 11.284 -3.055 -9.839 1.00 23.33 H new ATOM 0 HG12 ILE A 4 10.337 -3.999 -11.906 1.00 53.24 H new ATOM 0 HG13 ILE A 4 9.181 -2.962 -11.093 1.00 53.24 H new ATOM 0 HG21 ILE A 4 9.956 -0.967 -9.824 1.00 13.15 H new ATOM 0 HG22 ILE A 4 11.696 -0.648 -9.631 1.00 13.15 H new ATOM 0 HG23 ILE A 4 10.908 -0.362 -11.201 1.00 13.15 H new ATOM 0 HD11 ILE A 4 9.131 -2.603 -13.514 1.00 63.45 H new ATOM 0 HD12 ILE A 4 9.688 -1.134 -12.678 1.00 63.45 H new ATOM 0 HD13 ILE A 4 10.861 -2.188 -13.503 1.00 63.45 H new ATOM 54 N GLY A 5 13.937 -1.137 -9.938 1.00 64.34 N ATOM 55 CA GLY A 5 15.034 -0.855 -9.027 1.00 45.31 C ATOM 56 C GLY A 5 14.719 -1.177 -7.583 1.00 13.40 C ATOM 57 O GLY A 5 14.882 -0.332 -6.701 1.00 5.45 O ATOM 0 H GLY A 5 13.356 -0.330 -10.166 1.00 64.34 H new ATOM 0 HA2 GLY A 5 15.908 -1.428 -9.336 1.00 45.31 H new ATOM 0 HA3 GLY A 5 15.299 0.199 -9.106 1.00 45.31 H new ATOM 61 N PHE A 6 14.268 -2.393 -7.346 1.00 31.53 N ATOM 62 CA PHE A 6 14.017 -2.870 -5.995 1.00 34.30 C ATOM 63 C PHE A 6 14.806 -4.143 -5.734 1.00 33.45 C ATOM 64 O PHE A 6 15.200 -4.848 -6.669 1.00 54.10 O ATOM 65 CB PHE A 6 12.526 -3.133 -5.762 1.00 21.24 C ATOM 66 CG PHE A 6 11.680 -1.891 -5.729 1.00 75.14 C ATOM 67 CD1 PHE A 6 11.659 -1.085 -4.603 1.00 61.13 C ATOM 68 CD2 PHE A 6 10.903 -1.535 -6.817 1.00 22.14 C ATOM 69 CE1 PHE A 6 10.879 0.054 -4.563 1.00 3.45 C ATOM 70 CE2 PHE A 6 10.121 -0.397 -6.784 1.00 13.32 C ATOM 71 CZ PHE A 6 10.109 0.400 -5.657 1.00 73.01 C ATOM 0 H PHE A 6 14.066 -3.076 -8.076 1.00 31.53 H new ATOM 0 HA PHE A 6 14.339 -2.091 -5.303 1.00 34.30 H new ATOM 0 HB2 PHE A 6 12.157 -3.790 -6.550 1.00 21.24 H new ATOM 0 HB3 PHE A 6 12.405 -3.667 -4.819 1.00 21.24 H new ATOM 0 HD1 PHE A 6 12.260 -1.350 -3.746 1.00 61.13 H new ATOM 0 HD2 PHE A 6 10.908 -2.154 -7.702 1.00 22.14 H new ATOM 0 HE1 PHE A 6 10.871 0.673 -3.678 1.00 3.45 H new ATOM 0 HE2 PHE A 6 9.519 -0.131 -7.640 1.00 13.32 H new ATOM 0 HZ PHE A 6 9.500 1.291 -5.630 1.00 73.01 H new ATOM 81 N ILE A 7 15.038 -4.432 -4.466 1.00 61.22 N ATOM 82 CA ILE A 7 15.771 -5.627 -4.074 1.00 15.02 C ATOM 83 C ILE A 7 14.857 -6.848 -4.123 1.00 71.03 C ATOM 84 O ILE A 7 15.278 -7.943 -4.495 1.00 1.14 O ATOM 85 CB ILE A 7 16.373 -5.472 -2.659 1.00 24.12 C ATOM 86 CG1 ILE A 7 17.277 -4.236 -2.609 1.00 43.42 C ATOM 87 CG2 ILE A 7 17.150 -6.723 -2.263 1.00 10.15 C ATOM 88 CD1 ILE A 7 17.869 -3.961 -1.243 1.00 43.21 C ATOM 0 H ILE A 7 14.728 -3.853 -3.685 1.00 61.22 H new ATOM 0 HA ILE A 7 16.590 -5.766 -4.780 1.00 15.02 H new ATOM 0 HB ILE A 7 15.560 -5.342 -1.945 1.00 24.12 H new ATOM 0 HG12 ILE A 7 18.088 -4.362 -3.326 1.00 43.42 H new ATOM 0 HG13 ILE A 7 16.703 -3.366 -2.927 1.00 43.42 H new ATOM 0 HG21 ILE A 7 17.565 -6.592 -1.264 1.00 10.15 H new ATOM 0 HG22 ILE A 7 16.481 -7.584 -2.268 1.00 10.15 H new ATOM 0 HG23 ILE A 7 17.960 -6.888 -2.974 1.00 10.15 H new ATOM 0 HD11 ILE A 7 18.496 -3.071 -1.291 1.00 43.21 H new ATOM 0 HD12 ILE A 7 17.066 -3.801 -0.524 1.00 43.21 H new ATOM 0 HD13 ILE A 7 18.472 -4.813 -0.930 1.00 43.21 H new ATOM 100 N ILE A 8 13.601 -6.651 -3.759 1.00 23.14 N ATOM 101 CA ILE A 8 12.617 -7.718 -3.822 1.00 4.33 C ATOM 102 C ILE A 8 12.020 -7.818 -5.219 1.00 61.12 C ATOM 103 O ILE A 8 11.418 -6.866 -5.724 1.00 0.22 O ATOM 104 CB ILE A 8 11.496 -7.514 -2.788 1.00 44.13 C ATOM 105 CG1 ILE A 8 12.080 -7.589 -1.382 1.00 24.43 C ATOM 106 CG2 ILE A 8 10.396 -8.555 -2.966 1.00 52.14 C ATOM 107 CD1 ILE A 8 11.078 -7.307 -0.288 1.00 72.42 C ATOM 0 H ILE A 8 13.239 -5.761 -3.417 1.00 23.14 H new ATOM 0 HA ILE A 8 13.132 -8.649 -3.587 1.00 4.33 H new ATOM 0 HB ILE A 8 11.052 -6.530 -2.940 1.00 44.13 H new ATOM 0 HG12 ILE A 8 12.503 -8.582 -1.227 1.00 24.43 H new ATOM 0 HG13 ILE A 8 12.901 -6.877 -1.302 1.00 24.43 H new ATOM 0 HG21 ILE A 8 9.615 -8.390 -2.224 1.00 52.14 H new ATOM 0 HG22 ILE A 8 9.971 -8.467 -3.966 1.00 52.14 H new ATOM 0 HG23 ILE A 8 10.815 -9.553 -2.836 1.00 52.14 H new ATOM 0 HD11 ILE A 8 11.569 -7.379 0.683 1.00 72.42 H new ATOM 0 HD12 ILE A 8 10.673 -6.303 -0.416 1.00 72.42 H new ATOM 0 HD13 ILE A 8 10.268 -8.035 -0.340 1.00 72.42 H new ATOM 119 N LYS A 9 12.188 -8.979 -5.829 1.00 21.01 N ATOM 120 CA LYS A 9 11.712 -9.226 -7.174 1.00 42.22 C ATOM 121 C LYS A 9 10.234 -9.603 -7.152 1.00 61.41 C ATOM 122 O LYS A 9 9.703 -9.981 -6.112 1.00 51.21 O ATOM 123 CB LYS A 9 12.550 -10.338 -7.807 1.00 13.15 C ATOM 124 CG LYS A 9 12.244 -10.580 -9.268 1.00 14.32 C ATOM 125 CD LYS A 9 13.184 -11.601 -9.898 1.00 31.34 C ATOM 126 CE LYS A 9 14.515 -10.985 -10.322 1.00 30.32 C ATOM 127 NZ LYS A 9 15.342 -10.534 -9.168 1.00 12.15 N ATOM 0 H LYS A 9 12.660 -9.777 -5.402 1.00 21.01 H new ATOM 0 HA LYS A 9 11.816 -8.320 -7.771 1.00 42.22 H new ATOM 0 HB2 LYS A 9 13.606 -10.087 -7.704 1.00 13.15 H new ATOM 0 HB3 LYS A 9 12.386 -11.263 -7.254 1.00 13.15 H new ATOM 0 HG2 LYS A 9 11.216 -10.927 -9.368 1.00 14.32 H new ATOM 0 HG3 LYS A 9 12.317 -9.639 -9.812 1.00 14.32 H new ATOM 0 HD2 LYS A 9 13.370 -12.406 -9.187 1.00 31.34 H new ATOM 0 HD3 LYS A 9 12.701 -12.048 -10.767 1.00 31.34 H new ATOM 0 HE2 LYS A 9 15.079 -11.716 -10.902 1.00 30.32 H new ATOM 0 HE3 LYS A 9 14.323 -10.136 -10.978 1.00 30.32 H new ATOM 0 HZ1 LYS A 9 16.350 -10.608 -9.413 1.00 12.15 H new ATOM 0 HZ2 LYS A 9 15.112 -9.545 -8.942 1.00 12.15 H new ATOM 0 HZ3 LYS A 9 15.142 -11.134 -8.342 1.00 12.15 H new ATOM 141 N GLU A 10 9.575 -9.485 -8.301 1.00 3.24 N ATOM 142 CA GLU A 10 8.159 -9.777 -8.427 1.00 71.11 C ATOM 143 C GLU A 10 7.892 -11.273 -8.275 1.00 62.24 C ATOM 144 O GLU A 10 8.827 -12.079 -8.251 1.00 31.44 O ATOM 145 CB GLU A 10 7.679 -9.297 -9.793 1.00 31.52 C ATOM 146 CG GLU A 10 7.946 -7.822 -10.047 1.00 4.34 C ATOM 147 CD GLU A 10 7.572 -7.394 -11.449 1.00 73.04 C ATOM 148 OE1 GLU A 10 8.422 -7.505 -12.353 1.00 54.02 O ATOM 149 OE2 GLU A 10 6.428 -6.936 -11.652 1.00 12.14 O ATOM 0 H GLU A 10 10.013 -9.183 -9.171 1.00 3.24 H new ATOM 0 HA GLU A 10 7.617 -9.260 -7.636 1.00 71.11 H new ATOM 0 HB2 GLU A 10 8.169 -9.885 -10.569 1.00 31.52 H new ATOM 0 HB3 GLU A 10 6.609 -9.484 -9.879 1.00 31.52 H new ATOM 0 HG2 GLU A 10 7.384 -7.226 -9.328 1.00 4.34 H new ATOM 0 HG3 GLU A 10 9.002 -7.614 -9.878 1.00 4.34 H new ATOM 156 N GLY A 11 6.622 -11.643 -8.175 1.00 40.14 N ATOM 157 CA GLY A 11 6.266 -13.035 -8.048 1.00 2.32 C ATOM 158 C GLY A 11 4.820 -13.219 -7.650 1.00 70.45 C ATOM 159 O GLY A 11 4.064 -12.251 -7.556 1.00 43.31 O ATOM 0 H GLY A 11 5.832 -10.998 -8.180 1.00 40.14 H new ATOM 0 HA2 GLY A 11 6.448 -13.543 -8.995 1.00 2.32 H new ATOM 0 HA3 GLY A 11 6.909 -13.507 -7.305 1.00 2.32 H new ATOM 163 N ASP A 12 4.442 -14.462 -7.407 1.00 31.12 N ATOM 164 CA ASP A 12 3.079 -14.799 -7.004 1.00 32.05 C ATOM 165 C ASP A 12 2.868 -14.507 -5.524 1.00 74.52 C ATOM 166 O ASP A 12 1.735 -14.440 -5.046 1.00 11.53 O ATOM 167 CB ASP A 12 2.776 -16.273 -7.304 1.00 23.23 C ATOM 168 CG ASP A 12 3.774 -17.227 -6.676 1.00 64.40 C ATOM 169 OD1 ASP A 12 4.911 -17.323 -7.186 1.00 53.04 O ATOM 170 OD2 ASP A 12 3.429 -17.894 -5.680 1.00 53.13 O ATOM 0 H ASP A 12 5.065 -15.266 -7.482 1.00 31.12 H new ATOM 0 HA ASP A 12 2.392 -14.179 -7.580 1.00 32.05 H new ATOM 0 HB2 ASP A 12 1.776 -16.513 -6.942 1.00 23.23 H new ATOM 0 HB3 ASP A 12 2.769 -16.424 -8.384 1.00 23.23 H new ATOM 175 N GLU A 13 3.969 -14.328 -4.810 1.00 5.12 N ATOM 176 CA GLU A 13 3.934 -13.967 -3.399 1.00 22.43 C ATOM 177 C GLU A 13 4.454 -12.547 -3.200 1.00 34.31 C ATOM 178 O GLU A 13 4.733 -12.123 -2.075 1.00 2.21 O ATOM 179 CB GLU A 13 4.753 -14.958 -2.554 1.00 74.51 C ATOM 180 CG GLU A 13 5.767 -15.786 -3.340 1.00 21.25 C ATOM 181 CD GLU A 13 6.818 -14.952 -4.048 1.00 3.00 C ATOM 182 OE1 GLU A 13 7.805 -14.558 -3.403 1.00 10.40 O ATOM 183 OE2 GLU A 13 6.655 -14.699 -5.260 1.00 3.44 O ATOM 0 H GLU A 13 4.910 -14.428 -5.190 1.00 5.12 H new ATOM 0 HA GLU A 13 2.897 -14.012 -3.065 1.00 22.43 H new ATOM 0 HB2 GLU A 13 5.281 -14.403 -1.779 1.00 74.51 H new ATOM 0 HB3 GLU A 13 4.066 -15.636 -2.048 1.00 74.51 H new ATOM 0 HG2 GLU A 13 6.263 -16.478 -2.660 1.00 21.25 H new ATOM 0 HG3 GLU A 13 5.237 -16.389 -4.077 1.00 21.25 H new ATOM 190 N VAL A 14 4.559 -11.810 -4.301 1.00 72.43 N ATOM 191 CA VAL A 14 5.082 -10.450 -4.267 1.00 74.44 C ATOM 192 C VAL A 14 4.150 -9.485 -5.002 1.00 40.53 C ATOM 193 O VAL A 14 3.616 -9.811 -6.063 1.00 22.43 O ATOM 194 CB VAL A 14 6.487 -10.373 -4.906 1.00 21.41 C ATOM 195 CG1 VAL A 14 7.053 -8.970 -4.798 1.00 15.24 C ATOM 196 CG2 VAL A 14 7.434 -11.375 -4.266 1.00 52.30 C ATOM 0 H VAL A 14 4.288 -12.133 -5.230 1.00 72.43 H new ATOM 0 HA VAL A 14 5.149 -10.161 -3.218 1.00 74.44 H new ATOM 0 HB VAL A 14 6.386 -10.625 -5.962 1.00 21.41 H new ATOM 0 HG11 VAL A 14 8.042 -8.941 -5.255 1.00 15.24 H new ATOM 0 HG12 VAL A 14 6.394 -8.271 -5.314 1.00 15.24 H new ATOM 0 HG13 VAL A 14 7.130 -8.688 -3.748 1.00 15.24 H new ATOM 0 HG21 VAL A 14 8.415 -11.299 -4.735 1.00 52.30 H new ATOM 0 HG22 VAL A 14 7.523 -11.162 -3.201 1.00 52.30 H new ATOM 0 HG23 VAL A 14 7.044 -12.383 -4.403 1.00 52.30 H new ATOM 206 N ALA A 15 3.950 -8.310 -4.423 1.00 5.04 N ATOM 207 CA ALA A 15 3.166 -7.253 -5.052 1.00 41.44 C ATOM 208 C ALA A 15 3.571 -5.902 -4.479 1.00 61.11 C ATOM 209 O ALA A 15 3.837 -5.792 -3.285 1.00 54.31 O ATOM 210 CB ALA A 15 1.675 -7.483 -4.843 1.00 34.34 C ATOM 0 H ALA A 15 4.324 -8.061 -3.507 1.00 5.04 H new ATOM 0 HA ALA A 15 3.365 -7.266 -6.124 1.00 41.44 H new ATOM 0 HB1 ALA A 15 1.113 -6.681 -5.321 1.00 34.34 H new ATOM 0 HB2 ALA A 15 1.389 -8.439 -5.282 1.00 34.34 H new ATOM 0 HB3 ALA A 15 1.455 -7.494 -3.776 1.00 34.34 H new ATOM 216 N ASP A 16 3.644 -4.882 -5.321 1.00 51.41 N ATOM 217 CA ASP A 16 3.959 -3.549 -4.849 1.00 11.02 C ATOM 218 C ASP A 16 2.729 -2.659 -4.885 1.00 11.10 C ATOM 219 O ASP A 16 1.817 -2.854 -5.694 1.00 13.40 O ATOM 220 CB ASP A 16 5.112 -2.910 -5.643 1.00 51.44 C ATOM 221 CG ASP A 16 4.921 -2.868 -7.152 1.00 62.22 C ATOM 222 OD1 ASP A 16 3.778 -2.733 -7.628 1.00 62.44 O ATOM 223 OD2 ASP A 16 5.937 -2.970 -7.874 1.00 24.44 O ATOM 0 H ASP A 16 3.490 -4.954 -6.327 1.00 51.41 H new ATOM 0 HA ASP A 16 4.291 -3.646 -3.815 1.00 11.02 H new ATOM 0 HB2 ASP A 16 5.257 -1.891 -5.284 1.00 51.44 H new ATOM 0 HB3 ASP A 16 6.028 -3.458 -5.425 1.00 51.44 H new ATOM 228 N VAL A 17 2.696 -1.704 -3.977 1.00 34.32 N ATOM 229 CA VAL A 17 1.620 -0.737 -3.924 1.00 40.55 C ATOM 230 C VAL A 17 2.187 0.660 -4.071 1.00 21.02 C ATOM 231 O VAL A 17 3.180 1.016 -3.433 1.00 50.42 O ATOM 232 CB VAL A 17 0.831 -0.816 -2.601 1.00 5.24 C ATOM 233 CG1 VAL A 17 -0.422 0.050 -2.662 1.00 23.21 C ATOM 234 CG2 VAL A 17 0.472 -2.255 -2.258 1.00 33.11 C ATOM 0 H VAL A 17 3.410 -1.577 -3.260 1.00 34.32 H new ATOM 0 HA VAL A 17 0.936 -0.966 -4.741 1.00 40.55 H new ATOM 0 HB VAL A 17 1.474 -0.432 -1.809 1.00 5.24 H new ATOM 0 HG11 VAL A 17 -0.961 -0.023 -1.717 1.00 23.21 H new ATOM 0 HG12 VAL A 17 -0.139 1.088 -2.839 1.00 23.21 H new ATOM 0 HG13 VAL A 17 -1.063 -0.295 -3.473 1.00 23.21 H new ATOM 0 HG21 VAL A 17 -0.083 -2.278 -1.320 1.00 33.11 H new ATOM 0 HG22 VAL A 17 -0.142 -2.676 -3.054 1.00 33.11 H new ATOM 0 HG23 VAL A 17 1.384 -2.843 -2.154 1.00 33.11 H new ATOM 244 N THR A 18 1.563 1.434 -4.923 1.00 14.34 N ATOM 245 CA THR A 18 1.977 2.798 -5.163 1.00 35.04 C ATOM 246 C THR A 18 1.006 3.753 -4.481 1.00 72.44 C ATOM 247 O THR A 18 -0.156 3.858 -4.873 1.00 52.23 O ATOM 248 CB THR A 18 2.040 3.080 -6.674 1.00 60.11 C ATOM 249 OG1 THR A 18 2.859 2.089 -7.310 1.00 40.35 O ATOM 250 CG2 THR A 18 2.611 4.462 -6.952 1.00 5.53 C ATOM 0 H THR A 18 0.754 1.139 -5.470 1.00 14.34 H new ATOM 0 HA THR A 18 2.973 2.948 -4.747 1.00 35.04 H new ATOM 0 HB THR A 18 1.026 3.041 -7.073 1.00 60.11 H new ATOM 0 HG1 THR A 18 2.899 2.266 -8.273 1.00 40.35 H new ATOM 0 HG21 THR A 18 2.643 4.633 -8.028 1.00 5.53 H new ATOM 0 HG22 THR A 18 1.980 5.217 -6.484 1.00 5.53 H new ATOM 0 HG23 THR A 18 3.620 4.528 -6.544 1.00 5.53 H new ATOM 258 N ILE A 19 1.481 4.421 -3.439 1.00 51.53 N ATOM 259 CA ILE A 19 0.630 5.280 -2.630 1.00 62.33 C ATOM 260 C ILE A 19 0.795 6.738 -3.040 1.00 20.12 C ATOM 261 O ILE A 19 1.894 7.175 -3.399 1.00 43.42 O ATOM 262 CB ILE A 19 0.954 5.138 -1.125 1.00 41.31 C ATOM 263 CG1 ILE A 19 1.061 3.657 -0.730 1.00 61.44 C ATOM 264 CG2 ILE A 19 -0.106 5.837 -0.281 1.00 4.12 C ATOM 265 CD1 ILE A 19 1.485 3.440 0.710 1.00 4.40 C ATOM 0 H ILE A 19 2.454 4.384 -3.134 1.00 51.53 H new ATOM 0 HA ILE A 19 -0.400 4.967 -2.799 1.00 62.33 H new ATOM 0 HB ILE A 19 1.916 5.614 -0.937 1.00 41.31 H new ATOM 0 HG12 ILE A 19 0.096 3.176 -0.892 1.00 61.44 H new ATOM 0 HG13 ILE A 19 1.777 3.165 -1.389 1.00 61.44 H new ATOM 0 HG21 ILE A 19 0.139 5.726 0.775 1.00 4.12 H new ATOM 0 HG22 ILE A 19 -0.135 6.896 -0.538 1.00 4.12 H new ATOM 0 HG23 ILE A 19 -1.080 5.389 -0.476 1.00 4.12 H new ATOM 0 HD11 ILE A 19 1.539 2.371 0.916 1.00 4.40 H new ATOM 0 HD12 ILE A 19 2.464 3.891 0.873 1.00 4.40 H new ATOM 0 HD13 ILE A 19 0.757 3.902 1.377 1.00 4.40 H new ATOM 277 N PHE A 20 -0.305 7.474 -2.998 1.00 64.10 N ATOM 278 CA PHE A 20 -0.306 8.893 -3.307 1.00 74.33 C ATOM 279 C PHE A 20 -0.986 9.654 -2.179 1.00 64.31 C ATOM 280 O PHE A 20 -1.986 9.189 -1.631 1.00 31.44 O ATOM 281 CB PHE A 20 -1.055 9.169 -4.614 1.00 54.12 C ATOM 282 CG PHE A 20 -0.546 8.411 -5.808 1.00 41.14 C ATOM 283 CD1 PHE A 20 0.482 8.923 -6.581 1.00 3.14 C ATOM 284 CD2 PHE A 20 -1.105 7.194 -6.163 1.00 41.30 C ATOM 285 CE1 PHE A 20 0.947 8.233 -7.684 1.00 62.14 C ATOM 286 CE2 PHE A 20 -0.645 6.502 -7.265 1.00 54.10 C ATOM 287 CZ PHE A 20 0.382 7.020 -8.027 1.00 45.12 C ATOM 0 H PHE A 20 -1.222 7.103 -2.748 1.00 64.10 H new ATOM 0 HA PHE A 20 0.728 9.221 -3.418 1.00 74.33 H new ATOM 0 HB2 PHE A 20 -2.108 8.927 -4.470 1.00 54.12 H new ATOM 0 HB3 PHE A 20 -1.000 10.236 -4.829 1.00 54.12 H new ATOM 0 HD1 PHE A 20 0.925 9.872 -6.319 1.00 3.14 H new ATOM 0 HD2 PHE A 20 -1.909 6.782 -5.571 1.00 41.30 H new ATOM 0 HE1 PHE A 20 1.751 8.642 -8.277 1.00 62.14 H new ATOM 0 HE2 PHE A 20 -1.089 5.554 -7.531 1.00 54.10 H new ATOM 0 HZ PHE A 20 0.743 6.479 -8.889 1.00 45.12 H new ATOM 297 N ALA A 21 -0.450 10.812 -1.834 1.00 62.41 N ATOM 298 CA ALA A 21 -1.035 11.641 -0.787 1.00 72.15 C ATOM 299 C ALA A 21 -0.654 13.100 -0.969 1.00 74.12 C ATOM 300 O ALA A 21 0.053 13.451 -1.912 1.00 4.21 O ATOM 301 CB ALA A 21 -0.628 11.149 0.593 1.00 31.43 C ATOM 0 H ALA A 21 0.390 11.202 -2.262 1.00 62.41 H new ATOM 0 HA ALA A 21 -2.119 11.560 -0.869 1.00 72.15 H new ATOM 0 HB1 ALA A 21 -1.079 11.786 1.354 1.00 31.43 H new ATOM 0 HB2 ALA A 21 -0.970 10.123 0.729 1.00 31.43 H new ATOM 0 HB3 ALA A 21 0.457 11.185 0.686 1.00 31.43 H new ATOM 307 N GLU A 22 -1.129 13.937 -0.057 1.00 14.41 N ATOM 308 CA GLU A 22 -0.922 15.376 -0.137 1.00 61.24 C ATOM 309 C GLU A 22 0.552 15.746 0.019 1.00 11.00 C ATOM 310 O GLU A 22 1.064 16.600 -0.703 1.00 40.11 O ATOM 311 CB GLU A 22 -1.731 16.081 0.954 1.00 2.44 C ATOM 312 CG GLU A 22 -3.197 15.681 1.002 1.00 62.01 C ATOM 313 CD GLU A 22 -3.957 16.046 -0.254 1.00 22.32 C ATOM 314 OE1 GLU A 22 -4.275 17.241 -0.436 1.00 53.34 O ATOM 315 OE2 GLU A 22 -4.259 15.139 -1.055 1.00 22.43 O ATOM 0 H GLU A 22 -1.667 13.639 0.757 1.00 14.41 H new ATOM 0 HA GLU A 22 -1.255 15.700 -1.123 1.00 61.24 H new ATOM 0 HB2 GLU A 22 -1.277 15.869 1.922 1.00 2.44 H new ATOM 0 HB3 GLU A 22 -1.665 17.158 0.800 1.00 2.44 H new ATOM 0 HG2 GLU A 22 -3.268 14.605 1.162 1.00 62.01 H new ATOM 0 HG3 GLU A 22 -3.670 16.162 1.858 1.00 62.01 H new ATOM 322 N THR A 23 1.224 15.100 0.962 1.00 72.43 N ATOM 323 CA THR A 23 2.584 15.486 1.334 1.00 24.52 C ATOM 324 C THR A 23 3.426 14.279 1.733 1.00 11.41 C ATOM 325 O THR A 23 2.904 13.179 1.902 1.00 62.03 O ATOM 326 CB THR A 23 2.573 16.470 2.523 1.00 42.45 C ATOM 327 OG1 THR A 23 1.747 15.948 3.576 1.00 23.30 O ATOM 328 CG2 THR A 23 2.073 17.847 2.105 1.00 65.53 C ATOM 0 H THR A 23 0.853 14.307 1.485 1.00 72.43 H new ATOM 0 HA THR A 23 3.020 15.959 0.454 1.00 24.52 H new ATOM 0 HB THR A 23 3.597 16.581 2.879 1.00 42.45 H new ATOM 0 HG1 THR A 23 1.744 16.574 4.330 1.00 23.30 H new ATOM 0 HG21 THR A 23 2.079 18.513 2.967 1.00 65.53 H new ATOM 0 HG22 THR A 23 2.724 18.251 1.330 1.00 65.53 H new ATOM 0 HG23 THR A 23 1.057 17.763 1.718 1.00 65.53 H new ATOM 336 N LYS A 24 4.729 14.512 1.880 1.00 41.02 N ATOM 337 CA LYS A 24 5.669 13.522 2.413 1.00 51.45 C ATOM 338 C LYS A 24 5.143 12.906 3.705 1.00 4.12 C ATOM 339 O LYS A 24 5.101 11.687 3.856 1.00 3.35 O ATOM 340 CB LYS A 24 7.012 14.211 2.680 1.00 62.32 C ATOM 341 CG LYS A 24 7.958 13.437 3.588 1.00 61.31 C ATOM 342 CD LYS A 24 9.171 14.278 3.947 1.00 12.15 C ATOM 343 CE LYS A 24 9.978 13.669 5.084 1.00 1.21 C ATOM 344 NZ LYS A 24 10.533 12.340 4.731 1.00 51.15 N ATOM 0 H LYS A 24 5.167 15.399 1.631 1.00 41.02 H new ATOM 0 HA LYS A 24 5.791 12.722 1.683 1.00 51.45 H new ATOM 0 HB2 LYS A 24 7.510 14.387 1.726 1.00 62.32 H new ATOM 0 HB3 LYS A 24 6.821 15.187 3.125 1.00 62.32 H new ATOM 0 HG2 LYS A 24 7.435 13.139 4.497 1.00 61.31 H new ATOM 0 HG3 LYS A 24 8.279 12.522 3.091 1.00 61.31 H new ATOM 0 HD2 LYS A 24 9.808 14.386 3.069 1.00 12.15 H new ATOM 0 HD3 LYS A 24 8.846 15.279 4.230 1.00 12.15 H new ATOM 0 HE2 LYS A 24 10.793 14.342 5.349 1.00 1.21 H new ATOM 0 HE3 LYS A 24 9.344 13.573 5.966 1.00 1.21 H new ATOM 0 HZ1 LYS A 24 11.305 12.101 5.386 1.00 51.15 H new ATOM 0 HZ2 LYS A 24 9.784 11.621 4.801 1.00 51.15 H new ATOM 0 HZ3 LYS A 24 10.900 12.364 3.758 1.00 51.15 H new ATOM 358 N ASP A 25 4.749 13.771 4.629 1.00 42.45 N ATOM 359 CA ASP A 25 4.189 13.345 5.910 1.00 24.43 C ATOM 360 C ASP A 25 2.956 12.476 5.700 1.00 33.03 C ATOM 361 O ASP A 25 2.817 11.424 6.320 1.00 35.53 O ATOM 362 CB ASP A 25 3.835 14.576 6.749 1.00 24.05 C ATOM 363 CG ASP A 25 3.309 14.229 8.122 1.00 5.34 C ATOM 364 OD1 ASP A 25 4.120 13.867 8.997 1.00 72.23 O ATOM 365 OD2 ASP A 25 2.084 14.344 8.338 1.00 14.21 O ATOM 0 H ASP A 25 4.807 14.783 4.516 1.00 42.45 H new ATOM 0 HA ASP A 25 4.934 12.750 6.438 1.00 24.43 H new ATOM 0 HB2 ASP A 25 4.720 15.203 6.854 1.00 24.05 H new ATOM 0 HB3 ASP A 25 3.087 15.166 6.219 1.00 24.05 H new ATOM 370 N ALA A 26 2.072 12.909 4.809 1.00 62.42 N ATOM 371 CA ALA A 26 0.869 12.150 4.496 1.00 51.23 C ATOM 372 C ALA A 26 1.218 10.795 3.878 1.00 32.24 C ATOM 373 O ALA A 26 0.560 9.789 4.158 1.00 61.11 O ATOM 374 CB ALA A 26 -0.037 12.951 3.575 1.00 13.32 C ATOM 0 H ALA A 26 2.166 13.782 4.291 1.00 62.42 H new ATOM 0 HA ALA A 26 0.333 11.960 5.426 1.00 51.23 H new ATOM 0 HB1 ALA A 26 -0.932 12.371 3.350 1.00 13.32 H new ATOM 0 HB2 ALA A 26 -0.322 13.882 4.065 1.00 13.32 H new ATOM 0 HB3 ALA A 26 0.492 13.175 2.649 1.00 13.32 H new ATOM 380 N LEU A 27 2.257 10.781 3.043 1.00 61.01 N ATOM 381 CA LEU A 27 2.787 9.542 2.476 1.00 61.02 C ATOM 382 C LEU A 27 3.170 8.579 3.589 1.00 32.42 C ATOM 383 O LEU A 27 2.710 7.441 3.630 1.00 11.03 O ATOM 384 CB LEU A 27 4.026 9.829 1.617 1.00 14.04 C ATOM 385 CG LEU A 27 3.807 9.879 0.102 1.00 4.50 C ATOM 386 CD1 LEU A 27 2.794 10.939 -0.276 1.00 55.55 C ATOM 387 CD2 LEU A 27 5.125 10.132 -0.608 1.00 71.12 C ATOM 0 H LEU A 27 2.751 11.621 2.743 1.00 61.01 H new ATOM 0 HA LEU A 27 2.012 9.096 1.853 1.00 61.02 H new ATOM 0 HB2 LEU A 27 4.447 10.783 1.933 1.00 14.04 H new ATOM 0 HB3 LEU A 27 4.773 9.065 1.829 1.00 14.04 H new ATOM 0 HG LEU A 27 3.411 8.913 -0.213 1.00 4.50 H new ATOM 0 HD11 LEU A 27 2.663 10.947 -1.358 1.00 55.55 H new ATOM 0 HD12 LEU A 27 1.840 10.718 0.204 1.00 55.55 H new ATOM 0 HD13 LEU A 27 3.149 11.915 0.054 1.00 55.55 H new ATOM 0 HD21 LEU A 27 4.958 10.166 -1.685 1.00 71.12 H new ATOM 0 HD22 LEU A 27 5.541 11.083 -0.275 1.00 71.12 H new ATOM 0 HD23 LEU A 27 5.824 9.329 -0.374 1.00 71.12 H new ATOM 399 N GLU A 28 3.997 9.065 4.500 1.00 24.10 N ATOM 400 CA GLU A 28 4.505 8.269 5.598 1.00 2.53 C ATOM 401 C GLU A 28 3.394 7.845 6.558 1.00 65.45 C ATOM 402 O GLU A 28 3.441 6.750 7.120 1.00 53.24 O ATOM 403 CB GLU A 28 5.600 9.060 6.313 1.00 21.31 C ATOM 404 CG GLU A 28 6.905 9.082 5.531 1.00 5.24 C ATOM 405 CD GLU A 28 8.027 9.794 6.256 1.00 24.43 C ATOM 406 OE1 GLU A 28 8.304 9.449 7.423 1.00 34.24 O ATOM 407 OE2 GLU A 28 8.650 10.695 5.653 1.00 43.45 O ATOM 0 H GLU A 28 4.335 10.028 4.496 1.00 24.10 H new ATOM 0 HA GLU A 28 4.928 7.345 5.203 1.00 2.53 H new ATOM 0 HB2 GLU A 28 5.259 10.083 6.474 1.00 21.31 H new ATOM 0 HB3 GLU A 28 5.776 8.624 7.296 1.00 21.31 H new ATOM 0 HG2 GLU A 28 7.211 8.057 5.320 1.00 5.24 H new ATOM 0 HG3 GLU A 28 6.736 9.569 4.570 1.00 5.24 H new ATOM 414 N SER A 29 2.390 8.697 6.733 1.00 24.33 N ATOM 415 CA SER A 29 1.250 8.366 7.573 1.00 2.10 C ATOM 416 C SER A 29 0.465 7.191 6.991 1.00 51.12 C ATOM 417 O SER A 29 0.125 6.245 7.703 1.00 53.01 O ATOM 418 CB SER A 29 0.338 9.581 7.730 1.00 51.22 C ATOM 419 OG SER A 29 1.014 10.654 8.369 1.00 10.21 O ATOM 0 H SER A 29 2.344 9.621 6.304 1.00 24.33 H new ATOM 0 HA SER A 29 1.625 8.074 8.554 1.00 2.10 H new ATOM 0 HB2 SER A 29 -0.015 9.903 6.750 1.00 51.22 H new ATOM 0 HB3 SER A 29 -0.542 9.305 8.311 1.00 51.22 H new ATOM 0 HG SER A 29 1.687 11.025 7.761 1.00 10.21 H new ATOM 425 N GLU A 30 0.197 7.248 5.692 1.00 54.22 N ATOM 426 CA GLU A 30 -0.554 6.201 5.018 1.00 50.43 C ATOM 427 C GLU A 30 0.293 4.940 4.900 1.00 23.45 C ATOM 428 O GLU A 30 -0.201 3.826 5.070 1.00 20.51 O ATOM 429 CB GLU A 30 -0.969 6.681 3.629 1.00 51.30 C ATOM 430 CG GLU A 30 -2.251 6.046 3.126 1.00 73.31 C ATOM 431 CD GLU A 30 -3.471 6.531 3.881 1.00 2.24 C ATOM 432 OE1 GLU A 30 -4.033 7.578 3.491 1.00 32.15 O ATOM 433 OE2 GLU A 30 -3.879 5.873 4.862 1.00 25.41 O ATOM 0 H GLU A 30 0.491 8.012 5.084 1.00 54.22 H new ATOM 0 HA GLU A 30 -1.446 5.971 5.601 1.00 50.43 H new ATOM 0 HB2 GLU A 30 -1.093 7.764 3.650 1.00 51.30 H new ATOM 0 HB3 GLU A 30 -0.166 6.466 2.924 1.00 51.30 H new ATOM 0 HG2 GLU A 30 -2.371 6.268 2.066 1.00 73.31 H new ATOM 0 HG3 GLU A 30 -2.177 4.962 3.218 1.00 73.31 H new ATOM 440 N LEU A 31 1.577 5.132 4.619 1.00 4.11 N ATOM 441 CA LEU A 31 2.519 4.026 4.502 1.00 74.31 C ATOM 442 C LEU A 31 2.548 3.217 5.785 1.00 21.52 C ATOM 443 O LEU A 31 2.518 1.987 5.758 1.00 42.43 O ATOM 444 CB LEU A 31 3.923 4.552 4.217 1.00 32.43 C ATOM 445 CG LEU A 31 4.964 3.476 3.896 1.00 75.44 C ATOM 446 CD1 LEU A 31 4.637 2.784 2.582 1.00 51.54 C ATOM 447 CD2 LEU A 31 6.361 4.080 3.859 1.00 74.14 C ATOM 0 H LEU A 31 1.992 6.051 4.467 1.00 4.11 H new ATOM 0 HA LEU A 31 2.193 3.391 3.678 1.00 74.31 H new ATOM 0 HB2 LEU A 31 3.871 5.247 3.379 1.00 32.43 H new ATOM 0 HB3 LEU A 31 4.265 5.120 5.082 1.00 32.43 H new ATOM 0 HG LEU A 31 4.938 2.726 4.686 1.00 75.44 H new ATOM 0 HD11 LEU A 31 5.390 2.024 2.374 1.00 51.54 H new ATOM 0 HD12 LEU A 31 3.656 2.314 2.653 1.00 51.54 H new ATOM 0 HD13 LEU A 31 4.630 3.518 1.776 1.00 51.54 H new ATOM 0 HD21 LEU A 31 7.088 3.301 3.630 1.00 74.14 H new ATOM 0 HD22 LEU A 31 6.403 4.853 3.092 1.00 74.14 H new ATOM 0 HD23 LEU A 31 6.593 4.519 4.829 1.00 74.14 H new ATOM 459 N ALA A 32 2.608 3.929 6.901 1.00 72.24 N ATOM 460 CA ALA A 32 2.599 3.306 8.220 1.00 34.43 C ATOM 461 C ALA A 32 1.404 2.371 8.375 1.00 14.23 C ATOM 462 O ALA A 32 1.533 1.273 8.907 1.00 51.13 O ATOM 463 CB ALA A 32 2.585 4.371 9.307 1.00 43.23 C ATOM 0 H ALA A 32 2.664 4.947 6.920 1.00 72.24 H new ATOM 0 HA ALA A 32 3.508 2.712 8.322 1.00 34.43 H new ATOM 0 HB1 ALA A 32 2.578 3.892 10.286 1.00 43.23 H new ATOM 0 HB2 ALA A 32 3.473 4.996 9.215 1.00 43.23 H new ATOM 0 HB3 ALA A 32 1.693 4.989 9.200 1.00 43.23 H new ATOM 469 N LYS A 33 0.250 2.805 7.880 1.00 13.14 N ATOM 470 CA LYS A 33 -0.966 2.008 7.935 1.00 54.43 C ATOM 471 C LYS A 33 -0.822 0.727 7.118 1.00 4.11 C ATOM 472 O LYS A 33 -1.304 -0.330 7.520 1.00 32.34 O ATOM 473 CB LYS A 33 -2.145 2.834 7.414 1.00 63.43 C ATOM 474 CG LYS A 33 -2.494 4.031 8.281 1.00 0.21 C ATOM 475 CD LYS A 33 -2.964 3.609 9.664 1.00 51.44 C ATOM 476 CE LYS A 33 -3.475 4.796 10.462 1.00 10.40 C ATOM 477 NZ LYS A 33 -4.648 5.439 9.811 1.00 23.41 N ATOM 0 H LYS A 33 0.133 3.714 7.432 1.00 13.14 H new ATOM 0 HA LYS A 33 -1.148 1.726 8.972 1.00 54.43 H new ATOM 0 HB2 LYS A 33 -1.914 3.183 6.408 1.00 63.43 H new ATOM 0 HB3 LYS A 33 -3.020 2.189 7.335 1.00 63.43 H new ATOM 0 HG2 LYS A 33 -1.622 4.678 8.375 1.00 0.21 H new ATOM 0 HG3 LYS A 33 -3.274 4.617 7.795 1.00 0.21 H new ATOM 0 HD2 LYS A 33 -3.755 2.865 9.570 1.00 51.44 H new ATOM 0 HD3 LYS A 33 -2.142 3.135 10.200 1.00 51.44 H new ATOM 0 HE2 LYS A 33 -3.751 4.468 11.464 1.00 10.40 H new ATOM 0 HE3 LYS A 33 -2.676 5.529 10.575 1.00 10.40 H new ATOM 0 HZ1 LYS A 33 -5.169 6.002 10.513 1.00 23.41 H new ATOM 0 HZ2 LYS A 33 -4.322 6.059 9.043 1.00 23.41 H new ATOM 0 HZ3 LYS A 33 -5.274 4.706 9.421 1.00 23.41 H new ATOM 491 N TYR A 34 -0.151 0.825 5.980 1.00 61.44 N ATOM 492 CA TYR A 34 0.095 -0.340 5.141 1.00 52.44 C ATOM 493 C TYR A 34 1.092 -1.280 5.805 1.00 1.41 C ATOM 494 O TYR A 34 0.966 -2.498 5.706 1.00 73.12 O ATOM 495 CB TYR A 34 0.597 0.083 3.759 1.00 1.35 C ATOM 496 CG TYR A 34 -0.513 0.525 2.833 1.00 1.33 C ATOM 497 CD1 TYR A 34 -1.015 1.819 2.880 1.00 63.20 C ATOM 498 CD2 TYR A 34 -1.059 -0.358 1.913 1.00 4.30 C ATOM 499 CE1 TYR A 34 -2.037 2.217 2.039 1.00 4.10 C ATOM 500 CE2 TYR A 34 -2.078 0.032 1.068 1.00 20.42 C ATOM 501 CZ TYR A 34 -2.562 1.320 1.133 1.00 31.14 C ATOM 502 OH TYR A 34 -3.582 1.710 0.296 1.00 34.13 O ATOM 0 H TYR A 34 0.233 1.697 5.616 1.00 61.44 H new ATOM 0 HA TYR A 34 -0.848 -0.872 5.015 1.00 52.44 H new ATOM 0 HB2 TYR A 34 1.313 0.897 3.873 1.00 1.35 H new ATOM 0 HB3 TYR A 34 1.132 -0.750 3.303 1.00 1.35 H new ATOM 0 HD1 TYR A 34 -0.600 2.525 3.584 1.00 63.20 H new ATOM 0 HD2 TYR A 34 -0.680 -1.368 1.857 1.00 4.30 H new ATOM 0 HE1 TYR A 34 -2.422 3.225 2.091 1.00 4.10 H new ATOM 0 HE2 TYR A 34 -2.494 -0.669 0.359 1.00 20.42 H new ATOM 0 HH TYR A 34 -3.836 0.960 -0.281 1.00 34.13 H new ATOM 512 N ILE A 35 2.075 -0.709 6.493 1.00 71.12 N ATOM 513 CA ILE A 35 3.025 -1.501 7.265 1.00 44.44 C ATOM 514 C ILE A 35 2.300 -2.209 8.409 1.00 33.13 C ATOM 515 O ILE A 35 2.553 -3.381 8.698 1.00 31.14 O ATOM 516 CB ILE A 35 4.160 -0.621 7.838 1.00 62.21 C ATOM 517 CG1 ILE A 35 4.913 0.083 6.706 1.00 20.03 C ATOM 518 CG2 ILE A 35 5.121 -1.456 8.677 1.00 41.42 C ATOM 519 CD1 ILE A 35 5.992 1.028 7.190 1.00 51.34 C ATOM 0 H ILE A 35 2.234 0.298 6.532 1.00 71.12 H new ATOM 0 HA ILE A 35 3.470 -2.238 6.596 1.00 44.44 H new ATOM 0 HB ILE A 35 3.713 0.136 8.483 1.00 62.21 H new ATOM 0 HG12 ILE A 35 5.364 -0.669 6.059 1.00 20.03 H new ATOM 0 HG13 ILE A 35 4.200 0.640 6.098 1.00 20.03 H new ATOM 0 HG21 ILE A 35 5.911 -0.816 9.070 1.00 41.42 H new ATOM 0 HG22 ILE A 35 4.579 -1.913 9.505 1.00 41.42 H new ATOM 0 HG23 ILE A 35 5.561 -2.237 8.057 1.00 41.42 H new ATOM 0 HD11 ILE A 35 6.482 1.490 6.333 1.00 51.34 H new ATOM 0 HD12 ILE A 35 5.545 1.802 7.813 1.00 51.34 H new ATOM 0 HD13 ILE A 35 6.727 0.473 7.773 1.00 51.34 H new ATOM 531 N GLU A 36 1.385 -1.484 9.036 1.00 73.23 N ATOM 532 CA GLU A 36 0.554 -2.017 10.095 1.00 53.14 C ATOM 533 C GLU A 36 -0.315 -3.165 9.587 1.00 64.23 C ATOM 534 O GLU A 36 -0.454 -4.197 10.249 1.00 11.24 O ATOM 535 CB GLU A 36 -0.315 -0.890 10.650 1.00 21.34 C ATOM 536 CG GLU A 36 0.432 0.074 11.555 1.00 3.25 C ATOM 537 CD GLU A 36 1.009 -0.607 12.775 1.00 11.43 C ATOM 538 OE1 GLU A 36 0.250 -0.864 13.731 1.00 2.03 O ATOM 539 OE2 GLU A 36 2.222 -0.898 12.784 1.00 33.33 O ATOM 0 H GLU A 36 1.201 -0.504 8.820 1.00 73.23 H new ATOM 0 HA GLU A 36 1.190 -2.416 10.885 1.00 53.14 H new ATOM 0 HB2 GLU A 36 -0.745 -0.333 9.818 1.00 21.34 H new ATOM 0 HB3 GLU A 36 -1.146 -1.325 11.206 1.00 21.34 H new ATOM 0 HG2 GLU A 36 1.237 0.546 10.992 1.00 3.25 H new ATOM 0 HG3 GLU A 36 -0.244 0.868 11.872 1.00 3.25 H new ATOM 546 N LEU A 37 -0.891 -2.979 8.409 1.00 32.24 N ATOM 547 CA LEU A 37 -1.708 -4.007 7.784 1.00 0.44 C ATOM 548 C LEU A 37 -0.839 -5.207 7.408 1.00 20.44 C ATOM 549 O LEU A 37 -1.276 -6.355 7.484 1.00 33.33 O ATOM 550 CB LEU A 37 -2.402 -3.437 6.540 1.00 64.05 C ATOM 551 CG LEU A 37 -3.859 -3.868 6.335 1.00 23.11 C ATOM 552 CD1 LEU A 37 -4.461 -3.154 5.137 1.00 53.23 C ATOM 553 CD2 LEU A 37 -3.972 -5.375 6.155 1.00 20.45 C ATOM 0 H LEU A 37 -0.807 -2.121 7.864 1.00 32.24 H new ATOM 0 HA LEU A 37 -2.471 -4.337 8.489 1.00 0.44 H new ATOM 0 HB2 LEU A 37 -2.369 -2.349 6.595 1.00 64.05 H new ATOM 0 HB3 LEU A 37 -1.829 -3.730 5.660 1.00 64.05 H new ATOM 0 HG LEU A 37 -4.415 -3.591 7.231 1.00 23.11 H new ATOM 0 HD11 LEU A 37 -5.495 -3.472 5.006 1.00 53.23 H new ATOM 0 HD12 LEU A 37 -4.430 -2.077 5.302 1.00 53.23 H new ATOM 0 HD13 LEU A 37 -3.890 -3.400 4.242 1.00 53.23 H new ATOM 0 HD21 LEU A 37 -5.018 -5.647 6.012 1.00 20.45 H new ATOM 0 HD22 LEU A 37 -3.395 -5.682 5.283 1.00 20.45 H new ATOM 0 HD23 LEU A 37 -3.584 -5.877 7.041 1.00 20.45 H new ATOM 565 N ALA A 38 0.407 -4.930 7.043 1.00 12.22 N ATOM 566 CA ALA A 38 1.338 -5.973 6.628 1.00 24.04 C ATOM 567 C ALA A 38 1.638 -6.919 7.785 1.00 14.45 C ATOM 568 O ALA A 38 1.565 -8.136 7.631 1.00 0.53 O ATOM 569 CB ALA A 38 2.623 -5.360 6.089 1.00 51.34 C ATOM 0 H ALA A 38 0.798 -3.988 7.026 1.00 12.22 H new ATOM 0 HA ALA A 38 0.872 -6.549 5.829 1.00 24.04 H new ATOM 0 HB1 ALA A 38 3.305 -6.154 5.785 1.00 51.34 H new ATOM 0 HB2 ALA A 38 2.393 -4.730 5.230 1.00 51.34 H new ATOM 0 HB3 ALA A 38 3.092 -4.757 6.866 1.00 51.34 H new ATOM 575 N LYS A 39 1.952 -6.348 8.946 1.00 52.21 N ATOM 576 CA LYS A 39 2.221 -7.139 10.149 1.00 70.42 C ATOM 577 C LYS A 39 0.973 -7.900 10.586 1.00 1.45 C ATOM 578 O LYS A 39 1.062 -8.972 11.187 1.00 42.14 O ATOM 579 CB LYS A 39 2.704 -6.242 11.297 1.00 3.41 C ATOM 580 CG LYS A 39 4.209 -5.991 11.330 1.00 23.23 C ATOM 581 CD LYS A 39 4.730 -5.375 10.040 1.00 10.11 C ATOM 582 CE LYS A 39 6.088 -4.716 10.242 1.00 2.34 C ATOM 583 NZ LYS A 39 7.093 -5.646 10.824 1.00 31.21 N ATOM 0 H LYS A 39 2.027 -5.340 9.081 1.00 52.21 H new ATOM 0 HA LYS A 39 3.006 -7.854 9.905 1.00 70.42 H new ATOM 0 HB2 LYS A 39 2.192 -5.282 11.228 1.00 3.41 H new ATOM 0 HB3 LYS A 39 2.406 -6.695 12.242 1.00 3.41 H new ATOM 0 HG2 LYS A 39 4.445 -5.330 12.164 1.00 23.23 H new ATOM 0 HG3 LYS A 39 4.726 -6.933 11.513 1.00 23.23 H new ATOM 0 HD2 LYS A 39 4.810 -6.146 9.274 1.00 10.11 H new ATOM 0 HD3 LYS A 39 4.017 -4.636 9.675 1.00 10.11 H new ATOM 0 HE2 LYS A 39 6.454 -4.344 9.285 1.00 2.34 H new ATOM 0 HE3 LYS A 39 5.975 -3.852 10.897 1.00 2.34 H new ATOM 0 HZ1 LYS A 39 8.033 -5.201 10.800 1.00 31.21 H new ATOM 0 HZ2 LYS A 39 6.837 -5.862 11.809 1.00 31.21 H new ATOM 0 HZ3 LYS A 39 7.113 -6.526 10.270 1.00 31.21 H new ATOM 597 N SER A 40 -0.188 -7.338 10.276 1.00 54.10 N ATOM 598 CA SER A 40 -1.456 -7.962 10.607 1.00 35.44 C ATOM 599 C SER A 40 -1.660 -9.222 9.769 1.00 55.23 C ATOM 600 O SER A 40 -2.246 -10.200 10.235 1.00 73.44 O ATOM 601 CB SER A 40 -2.607 -6.972 10.378 1.00 61.33 C ATOM 602 OG SER A 40 -3.862 -7.537 10.734 1.00 13.02 O ATOM 0 H SER A 40 -0.274 -6.444 9.792 1.00 54.10 H new ATOM 0 HA SER A 40 -1.445 -8.246 11.659 1.00 35.44 H new ATOM 0 HB2 SER A 40 -2.434 -6.070 10.965 1.00 61.33 H new ATOM 0 HB3 SER A 40 -2.627 -6.672 9.330 1.00 61.33 H new ATOM 0 HG SER A 40 -4.573 -6.880 10.578 1.00 13.02 H new ATOM 608 N VAL A 41 -1.165 -9.195 8.536 1.00 10.44 N ATOM 609 CA VAL A 41 -1.312 -10.323 7.628 1.00 50.11 C ATOM 610 C VAL A 41 -0.186 -11.337 7.815 1.00 50.13 C ATOM 611 O VAL A 41 -0.431 -12.544 7.857 1.00 11.15 O ATOM 612 CB VAL A 41 -1.351 -9.861 6.153 1.00 54.13 C ATOM 613 CG1 VAL A 41 -1.469 -11.050 5.208 1.00 14.53 C ATOM 614 CG2 VAL A 41 -2.499 -8.888 5.925 1.00 73.10 C ATOM 0 H VAL A 41 -0.658 -8.402 8.144 1.00 10.44 H new ATOM 0 HA VAL A 41 -2.261 -10.801 7.870 1.00 50.11 H new ATOM 0 HB VAL A 41 -0.413 -9.349 5.939 1.00 54.13 H new ATOM 0 HG11 VAL A 41 -1.494 -10.695 4.178 1.00 14.53 H new ATOM 0 HG12 VAL A 41 -0.612 -11.709 5.344 1.00 14.53 H new ATOM 0 HG13 VAL A 41 -2.386 -11.598 5.425 1.00 14.53 H new ATOM 0 HG21 VAL A 41 -2.509 -8.575 4.881 1.00 73.10 H new ATOM 0 HG22 VAL A 41 -3.443 -9.376 6.166 1.00 73.10 H new ATOM 0 HG23 VAL A 41 -2.368 -8.015 6.564 1.00 73.10 H new ATOM 624 N CYS A 42 1.041 -10.853 7.949 1.00 24.13 N ATOM 625 CA CYS A 42 2.190 -11.732 8.051 1.00 1.53 C ATOM 626 C CYS A 42 3.267 -11.103 8.923 1.00 33.54 C ATOM 627 O CYS A 42 3.558 -9.912 8.814 1.00 2.40 O ATOM 628 CB CYS A 42 2.756 -12.030 6.662 1.00 41.24 C ATOM 629 SG CYS A 42 3.990 -13.350 6.627 1.00 40.43 S ATOM 0 H CYS A 42 1.263 -9.858 7.989 1.00 24.13 H new ATOM 0 HA CYS A 42 1.867 -12.666 8.510 1.00 1.53 H new ATOM 0 HB2 CYS A 42 1.934 -12.299 5.998 1.00 41.24 H new ATOM 0 HB3 CYS A 42 3.203 -11.120 6.262 1.00 41.24 H new ATOM 0 HG CYS A 42 3.395 -14.496 6.475 1.00 40.43 H new ATOM 635 N ALA A 43 3.856 -11.910 9.788 1.00 15.02 N ATOM 636 CA ALA A 43 4.934 -11.450 10.649 1.00 10.15 C ATOM 637 C ALA A 43 6.277 -11.546 9.933 1.00 60.23 C ATOM 638 O ALA A 43 7.287 -11.031 10.415 1.00 62.41 O ATOM 639 CB ALA A 43 4.958 -12.256 11.940 1.00 1.40 C ATOM 0 H ALA A 43 3.606 -12.891 9.914 1.00 15.02 H new ATOM 0 HA ALA A 43 4.755 -10.403 10.895 1.00 10.15 H new ATOM 0 HB1 ALA A 43 5.770 -11.901 12.575 1.00 1.40 H new ATOM 0 HB2 ALA A 43 4.009 -12.135 12.462 1.00 1.40 H new ATOM 0 HB3 ALA A 43 5.113 -13.310 11.708 1.00 1.40 H new ATOM 645 N GLY A 44 6.282 -12.200 8.780 1.00 32.31 N ATOM 646 CA GLY A 44 7.503 -12.359 8.020 1.00 15.30 C ATOM 647 C GLY A 44 7.443 -11.641 6.690 1.00 64.41 C ATOM 648 O GLY A 44 7.995 -12.110 5.693 1.00 11.53 O ATOM 0 H GLY A 44 5.457 -12.625 8.356 1.00 32.31 H new ATOM 0 HA2 GLY A 44 8.343 -11.977 8.600 1.00 15.30 H new ATOM 0 HA3 GLY A 44 7.689 -13.420 7.851 1.00 15.30 H new ATOM 652 N VAL A 45 6.764 -10.503 6.672 1.00 3.53 N ATOM 653 CA VAL A 45 6.608 -9.728 5.452 1.00 13.31 C ATOM 654 C VAL A 45 7.878 -8.940 5.128 1.00 23.32 C ATOM 655 O VAL A 45 8.406 -8.203 5.964 1.00 34.41 O ATOM 656 CB VAL A 45 5.393 -8.771 5.541 1.00 55.34 C ATOM 657 CG1 VAL A 45 5.497 -7.853 6.751 1.00 11.43 C ATOM 658 CG2 VAL A 45 5.244 -7.957 4.261 1.00 72.45 C ATOM 0 H VAL A 45 6.312 -10.096 7.491 1.00 3.53 H new ATOM 0 HA VAL A 45 6.427 -10.436 4.644 1.00 13.31 H new ATOM 0 HB VAL A 45 4.501 -9.385 5.662 1.00 55.34 H new ATOM 0 HG11 VAL A 45 4.629 -7.195 6.784 1.00 11.43 H new ATOM 0 HG12 VAL A 45 5.532 -8.453 7.661 1.00 11.43 H new ATOM 0 HG13 VAL A 45 6.404 -7.254 6.676 1.00 11.43 H new ATOM 0 HG21 VAL A 45 4.384 -7.293 4.350 1.00 72.45 H new ATOM 0 HG22 VAL A 45 6.144 -7.364 4.100 1.00 72.45 H new ATOM 0 HG23 VAL A 45 5.097 -8.630 3.417 1.00 72.45 H new ATOM 668 N GLU A 46 8.369 -9.116 3.914 1.00 45.35 N ATOM 669 CA GLU A 46 9.527 -8.381 3.434 1.00 24.21 C ATOM 670 C GLU A 46 9.061 -7.248 2.538 1.00 14.13 C ATOM 671 O GLU A 46 8.216 -7.453 1.670 1.00 63.14 O ATOM 672 CB GLU A 46 10.458 -9.306 2.650 1.00 71.33 C ATOM 673 CG GLU A 46 11.061 -10.421 3.483 1.00 1.31 C ATOM 674 CD GLU A 46 11.793 -11.444 2.642 1.00 54.14 C ATOM 675 OE1 GLU A 46 12.594 -11.044 1.770 1.00 4.14 O ATOM 676 OE2 GLU A 46 11.580 -12.655 2.858 1.00 71.24 O ATOM 0 H GLU A 46 7.979 -9.770 3.235 1.00 45.35 H new ATOM 0 HA GLU A 46 10.073 -7.979 4.287 1.00 24.21 H new ATOM 0 HB2 GLU A 46 9.904 -9.745 1.820 1.00 71.33 H new ATOM 0 HB3 GLU A 46 11.264 -8.713 2.217 1.00 71.33 H new ATOM 0 HG2 GLU A 46 11.751 -9.994 4.211 1.00 1.31 H new ATOM 0 HG3 GLU A 46 10.271 -10.917 4.046 1.00 1.31 H new ATOM 683 N TYR A 47 9.586 -6.052 2.749 1.00 51.34 N ATOM 684 CA TYR A 47 9.168 -4.915 1.945 1.00 72.41 C ATOM 685 C TYR A 47 10.305 -3.945 1.657 1.00 50.42 C ATOM 686 O TYR A 47 11.166 -3.694 2.503 1.00 22.41 O ATOM 687 CB TYR A 47 7.996 -4.179 2.605 1.00 62.44 C ATOM 688 CG TYR A 47 8.170 -3.910 4.084 1.00 15.44 C ATOM 689 CD1 TYR A 47 8.876 -2.800 4.532 1.00 50.44 C ATOM 690 CD2 TYR A 47 7.623 -4.764 5.033 1.00 61.34 C ATOM 691 CE1 TYR A 47 9.030 -2.550 5.881 1.00 60.11 C ATOM 692 CE2 TYR A 47 7.770 -4.519 6.382 1.00 72.11 C ATOM 693 CZ TYR A 47 8.476 -3.412 6.802 1.00 54.00 C ATOM 694 OH TYR A 47 8.623 -3.163 8.145 1.00 13.14 O ATOM 0 H TYR A 47 10.290 -5.845 3.457 1.00 51.34 H new ATOM 0 HA TYR A 47 8.842 -5.320 0.987 1.00 72.41 H new ATOM 0 HB2 TYR A 47 7.846 -3.229 2.092 1.00 62.44 H new ATOM 0 HB3 TYR A 47 7.089 -4.766 2.461 1.00 62.44 H new ATOM 0 HD1 TYR A 47 9.311 -2.122 3.813 1.00 50.44 H new ATOM 0 HD2 TYR A 47 7.073 -5.635 4.709 1.00 61.34 H new ATOM 0 HE1 TYR A 47 9.582 -1.683 6.213 1.00 60.11 H new ATOM 0 HE2 TYR A 47 7.334 -5.191 7.106 1.00 72.11 H new ATOM 0 HH TYR A 47 8.689 -2.197 8.293 1.00 13.14 H new ATOM 704 N ASN A 48 10.289 -3.414 0.447 1.00 33.14 N ATOM 705 CA ASN A 48 11.175 -2.323 0.065 1.00 24.30 C ATOM 706 C ASN A 48 10.321 -1.145 -0.344 1.00 41.10 C ATOM 707 O ASN A 48 9.147 -1.309 -0.669 1.00 53.24 O ATOM 708 CB ASN A 48 12.103 -2.680 -1.103 1.00 51.10 C ATOM 709 CG ASN A 48 12.989 -3.889 -0.854 1.00 65.55 C ATOM 710 OD1 ASN A 48 13.338 -4.611 -1.789 1.00 64.53 O ATOM 711 ND2 ASN A 48 13.371 -4.112 0.394 1.00 5.52 N ATOM 0 H ASN A 48 9.665 -3.724 -0.298 1.00 33.14 H new ATOM 0 HA ASN A 48 11.808 -2.097 0.923 1.00 24.30 H new ATOM 0 HB2 ASN A 48 11.496 -2.866 -1.989 1.00 51.10 H new ATOM 0 HB3 ASN A 48 12.736 -1.820 -1.324 1.00 51.10 H new ATOM 0 HD21 ASN A 48 13.976 -4.905 0.608 1.00 5.52 H new ATOM 0 HD22 ASN A 48 13.061 -3.491 1.141 1.00 5.52 H new ATOM 718 N VAL A 49 10.908 0.024 -0.343 1.00 1.25 N ATOM 719 CA VAL A 49 10.190 1.246 -0.669 1.00 22.24 C ATOM 720 C VAL A 49 11.124 2.199 -1.399 1.00 21.11 C ATOM 721 O VAL A 49 12.295 2.322 -1.031 1.00 14.42 O ATOM 722 CB VAL A 49 9.638 1.961 0.596 1.00 11.31 C ATOM 723 CG1 VAL A 49 8.814 3.182 0.211 1.00 63.20 C ATOM 724 CG2 VAL A 49 8.806 1.019 1.458 1.00 3.23 C ATOM 0 H VAL A 49 11.893 0.164 -0.118 1.00 1.25 H new ATOM 0 HA VAL A 49 9.343 0.969 -1.297 1.00 22.24 H new ATOM 0 HB VAL A 49 10.497 2.285 1.184 1.00 11.31 H new ATOM 0 HG11 VAL A 49 8.438 3.666 1.112 1.00 63.20 H new ATOM 0 HG12 VAL A 49 9.439 3.882 -0.344 1.00 63.20 H new ATOM 0 HG13 VAL A 49 7.975 2.873 -0.412 1.00 63.20 H new ATOM 0 HG21 VAL A 49 8.438 1.556 2.332 1.00 3.23 H new ATOM 0 HG22 VAL A 49 7.961 0.646 0.879 1.00 3.23 H new ATOM 0 HG23 VAL A 49 9.423 0.180 1.780 1.00 3.23 H new ATOM 734 N SER A 50 10.624 2.850 -2.440 1.00 24.31 N ATOM 735 CA SER A 50 11.393 3.877 -3.120 1.00 53.11 C ATOM 736 C SER A 50 11.771 4.956 -2.116 1.00 54.53 C ATOM 737 O SER A 50 11.016 5.237 -1.181 1.00 4.02 O ATOM 738 CB SER A 50 10.581 4.500 -4.248 1.00 22.22 C ATOM 739 OG SER A 50 9.520 3.647 -4.643 1.00 1.32 O ATOM 0 H SER A 50 9.695 2.685 -2.828 1.00 24.31 H new ATOM 0 HA SER A 50 12.289 3.425 -3.546 1.00 53.11 H new ATOM 0 HB2 SER A 50 10.179 5.460 -3.924 1.00 22.22 H new ATOM 0 HB3 SER A 50 11.230 4.698 -5.101 1.00 22.22 H new ATOM 0 HG SER A 50 9.013 4.070 -5.367 1.00 1.32 H new ATOM 745 N GLU A 51 12.925 5.559 -2.301 1.00 54.14 N ATOM 746 CA GLU A 51 13.395 6.551 -1.357 1.00 51.24 C ATOM 747 C GLU A 51 12.735 7.888 -1.635 1.00 33.24 C ATOM 748 O GLU A 51 12.444 8.224 -2.785 1.00 44.21 O ATOM 749 CB GLU A 51 14.917 6.673 -1.382 1.00 34.32 C ATOM 750 CG GLU A 51 15.498 7.064 -2.728 1.00 62.24 C ATOM 751 CD GLU A 51 16.984 7.315 -2.636 1.00 33.24 C ATOM 752 OE1 GLU A 51 17.369 8.398 -2.145 1.00 2.22 O ATOM 753 OE2 GLU A 51 17.769 6.429 -3.024 1.00 25.53 O ATOM 0 H GLU A 51 13.550 5.383 -3.088 1.00 54.14 H new ATOM 0 HA GLU A 51 13.116 6.226 -0.355 1.00 51.24 H new ATOM 0 HB2 GLU A 51 15.221 7.413 -0.641 1.00 34.32 H new ATOM 0 HB3 GLU A 51 15.350 5.720 -1.077 1.00 34.32 H new ATOM 0 HG2 GLU A 51 15.306 6.273 -3.453 1.00 62.24 H new ATOM 0 HG3 GLU A 51 14.998 7.961 -3.095 1.00 62.24 H new ATOM 760 N LEU A 52 12.489 8.637 -0.578 1.00 3.44 N ATOM 761 CA LEU A 52 11.765 9.885 -0.684 1.00 0.10 C ATOM 762 C LEU A 52 12.679 11.003 -1.158 1.00 12.45 C ATOM 763 O LEU A 52 13.884 10.996 -0.898 1.00 74.35 O ATOM 764 CB LEU A 52 11.123 10.265 0.657 1.00 63.32 C ATOM 765 CG LEU A 52 9.946 9.391 1.105 1.00 54.11 C ATOM 766 CD1 LEU A 52 10.425 8.038 1.611 1.00 25.22 C ATOM 767 CD2 LEU A 52 9.139 10.103 2.178 1.00 0.34 C ATOM 0 H LEU A 52 12.783 8.399 0.369 1.00 3.44 H new ATOM 0 HA LEU A 52 10.973 9.745 -1.420 1.00 0.10 H new ATOM 0 HB2 LEU A 52 11.892 10.230 1.429 1.00 63.32 H new ATOM 0 HB3 LEU A 52 10.781 11.298 0.595 1.00 63.32 H new ATOM 0 HG LEU A 52 9.306 9.217 0.240 1.00 54.11 H new ATOM 0 HD11 LEU A 52 9.567 7.441 1.921 1.00 25.22 H new ATOM 0 HD12 LEU A 52 10.959 7.520 0.814 1.00 25.22 H new ATOM 0 HD13 LEU A 52 11.093 8.183 2.460 1.00 25.22 H new ATOM 0 HD21 LEU A 52 8.306 9.471 2.487 1.00 0.34 H new ATOM 0 HD22 LEU A 52 9.777 10.308 3.038 1.00 0.34 H new ATOM 0 HD23 LEU A 52 8.754 11.042 1.780 1.00 0.34 H new ATOM 779 N THR A 53 12.096 11.950 -1.860 1.00 21.34 N ATOM 780 CA THR A 53 12.810 13.109 -2.349 1.00 53.31 C ATOM 781 C THR A 53 12.234 14.363 -1.704 1.00 14.23 C ATOM 782 O THR A 53 11.501 14.268 -0.717 1.00 41.13 O ATOM 783 CB THR A 53 12.724 13.193 -3.888 1.00 12.40 C ATOM 784 OG1 THR A 53 11.476 12.655 -4.343 1.00 52.11 O ATOM 785 CG2 THR A 53 13.873 12.437 -4.539 1.00 73.10 C ATOM 0 H THR A 53 11.107 11.937 -2.109 1.00 21.34 H new ATOM 0 HA THR A 53 13.863 13.022 -2.082 1.00 53.31 H new ATOM 0 HB THR A 53 12.792 14.243 -4.173 1.00 12.40 H new ATOM 0 HG1 THR A 53 10.805 13.369 -4.378 1.00 52.11 H new ATOM 0 HG21 THR A 53 13.790 12.511 -5.623 1.00 73.10 H new ATOM 0 HG22 THR A 53 14.821 12.869 -4.218 1.00 73.10 H new ATOM 0 HG23 THR A 53 13.833 11.389 -4.243 1.00 73.10 H new ATOM 793 N GLU A 54 12.562 15.527 -2.235 1.00 60.10 N ATOM 794 CA GLU A 54 12.072 16.768 -1.669 1.00 35.33 C ATOM 795 C GLU A 54 10.567 16.913 -1.880 1.00 63.03 C ATOM 796 O GLU A 54 9.813 17.103 -0.926 1.00 24.22 O ATOM 797 CB GLU A 54 12.811 17.950 -2.281 1.00 31.51 C ATOM 798 CG GLU A 54 14.297 17.959 -1.974 1.00 63.43 C ATOM 799 CD GLU A 54 14.958 19.260 -2.365 1.00 72.21 C ATOM 800 OE1 GLU A 54 15.401 19.386 -3.523 1.00 23.20 O ATOM 801 OE2 GLU A 54 15.026 20.172 -1.518 1.00 53.11 O ATOM 0 H GLU A 54 13.162 15.638 -3.052 1.00 60.10 H new ATOM 0 HA GLU A 54 12.259 16.751 -0.595 1.00 35.33 H new ATOM 0 HB2 GLU A 54 12.671 17.935 -3.362 1.00 31.51 H new ATOM 0 HB3 GLU A 54 12.367 18.875 -1.915 1.00 31.51 H new ATOM 0 HG2 GLU A 54 14.446 17.785 -0.908 1.00 63.43 H new ATOM 0 HG3 GLU A 54 14.779 17.136 -2.502 1.00 63.43 H new ATOM 808 N GLU A 55 10.125 16.798 -3.126 1.00 65.34 N ATOM 809 CA GLU A 55 8.722 17.000 -3.440 1.00 2.41 C ATOM 810 C GLU A 55 8.030 15.693 -3.817 1.00 32.32 C ATOM 811 O GLU A 55 7.053 15.692 -4.568 1.00 5.15 O ATOM 812 CB GLU A 55 8.579 18.024 -4.562 1.00 5.32 C ATOM 813 CG GLU A 55 9.254 17.632 -5.864 1.00 11.43 C ATOM 814 CD GLU A 55 9.044 18.670 -6.946 1.00 51.03 C ATOM 815 OE1 GLU A 55 7.909 18.778 -7.458 1.00 72.42 O ATOM 816 OE2 GLU A 55 10.002 19.399 -7.270 1.00 23.34 O ATOM 0 H GLU A 55 10.714 16.568 -3.927 1.00 65.34 H new ATOM 0 HA GLU A 55 8.232 17.380 -2.544 1.00 2.41 H new ATOM 0 HB2 GLU A 55 7.519 18.189 -4.753 1.00 5.32 H new ATOM 0 HB3 GLU A 55 8.994 18.974 -4.224 1.00 5.32 H new ATOM 0 HG2 GLU A 55 10.322 17.498 -5.693 1.00 11.43 H new ATOM 0 HG3 GLU A 55 8.862 16.672 -6.201 1.00 11.43 H new ATOM 823 N SER A 56 8.525 14.579 -3.285 1.00 51.45 N ATOM 824 CA SER A 56 7.892 13.292 -3.516 1.00 1.22 C ATOM 825 C SER A 56 6.506 13.254 -2.895 1.00 33.34 C ATOM 826 O SER A 56 6.340 13.437 -1.685 1.00 22.25 O ATOM 827 CB SER A 56 8.743 12.156 -2.957 1.00 2.05 C ATOM 828 OG SER A 56 9.331 12.517 -1.722 1.00 22.42 O ATOM 0 H SER A 56 9.357 14.545 -2.696 1.00 51.45 H new ATOM 0 HA SER A 56 7.798 13.158 -4.594 1.00 1.22 H new ATOM 0 HB2 SER A 56 8.126 11.268 -2.823 1.00 2.05 H new ATOM 0 HB3 SER A 56 9.523 11.897 -3.672 1.00 2.05 H new ATOM 0 HG SER A 56 9.447 11.717 -1.169 1.00 22.42 H new ATOM 834 N LYS A 57 5.521 13.032 -3.740 1.00 72.51 N ATOM 835 CA LYS A 57 4.135 12.946 -3.318 1.00 24.22 C ATOM 836 C LYS A 57 3.602 11.574 -3.680 1.00 32.41 C ATOM 837 O LYS A 57 2.408 11.290 -3.572 1.00 62.12 O ATOM 838 CB LYS A 57 3.322 14.046 -4.001 1.00 2.35 C ATOM 839 CG LYS A 57 3.831 15.440 -3.673 1.00 22.10 C ATOM 840 CD LYS A 57 3.501 16.437 -4.771 1.00 31.52 C ATOM 841 CE LYS A 57 4.149 17.789 -4.500 1.00 70.15 C ATOM 842 NZ LYS A 57 4.079 18.685 -5.683 1.00 20.32 N ATOM 0 H LYS A 57 5.658 12.905 -4.743 1.00 72.51 H new ATOM 0 HA LYS A 57 4.056 13.086 -2.240 1.00 24.22 H new ATOM 0 HB2 LYS A 57 3.352 13.897 -5.080 1.00 2.35 H new ATOM 0 HB3 LYS A 57 2.279 13.963 -3.697 1.00 2.35 H new ATOM 0 HG2 LYS A 57 3.391 15.775 -2.734 1.00 22.10 H new ATOM 0 HG3 LYS A 57 4.910 15.407 -3.525 1.00 22.10 H new ATOM 0 HD2 LYS A 57 3.845 16.052 -5.731 1.00 31.52 H new ATOM 0 HD3 LYS A 57 2.420 16.557 -4.844 1.00 31.52 H new ATOM 0 HE2 LYS A 57 3.654 18.266 -3.654 1.00 70.15 H new ATOM 0 HE3 LYS A 57 5.191 17.642 -4.218 1.00 70.15 H new ATOM 0 HZ1 LYS A 57 4.531 19.594 -5.457 1.00 20.32 H new ATOM 0 HZ2 LYS A 57 4.573 18.242 -6.484 1.00 20.32 H new ATOM 0 HZ3 LYS A 57 3.084 18.847 -5.938 1.00 20.32 H new ATOM 856 N GLU A 58 4.527 10.729 -4.113 1.00 4.41 N ATOM 857 CA GLU A 58 4.221 9.369 -4.508 1.00 35.25 C ATOM 858 C GLU A 58 5.373 8.447 -4.126 1.00 64.21 C ATOM 859 O GLU A 58 6.540 8.838 -4.209 1.00 75.02 O ATOM 860 CB GLU A 58 3.962 9.290 -6.021 1.00 51.30 C ATOM 861 CG GLU A 58 5.108 9.800 -6.894 1.00 61.20 C ATOM 862 CD GLU A 58 5.143 11.315 -7.020 1.00 44.43 C ATOM 863 OE1 GLU A 58 4.404 11.857 -7.868 1.00 71.32 O ATOM 864 OE2 GLU A 58 5.920 11.970 -6.286 1.00 62.43 O ATOM 0 H GLU A 58 5.514 10.972 -4.199 1.00 4.41 H new ATOM 0 HA GLU A 58 3.318 9.050 -3.987 1.00 35.25 H new ATOM 0 HB2 GLU A 58 3.755 8.253 -6.286 1.00 51.30 H new ATOM 0 HB3 GLU A 58 3.064 9.864 -6.252 1.00 51.30 H new ATOM 0 HG2 GLU A 58 6.054 9.456 -6.476 1.00 61.20 H new ATOM 0 HG3 GLU A 58 5.020 9.362 -7.888 1.00 61.20 H new ATOM 871 N LEU A 59 5.052 7.235 -3.695 1.00 73.51 N ATOM 872 CA LEU A 59 6.074 6.259 -3.343 1.00 13.04 C ATOM 873 C LEU A 59 5.599 4.855 -3.689 1.00 52.21 C ATOM 874 O LEU A 59 4.395 4.588 -3.730 1.00 13.11 O ATOM 875 CB LEU A 59 6.452 6.344 -1.855 1.00 13.11 C ATOM 876 CG LEU A 59 5.447 5.759 -0.852 1.00 11.21 C ATOM 877 CD1 LEU A 59 6.048 5.751 0.541 1.00 22.15 C ATOM 878 CD2 LEU A 59 4.146 6.545 -0.844 1.00 22.51 C ATOM 0 H LEU A 59 4.094 6.904 -3.581 1.00 73.51 H new ATOM 0 HA LEU A 59 6.968 6.488 -3.923 1.00 13.04 H new ATOM 0 HB2 LEU A 59 7.406 5.835 -1.717 1.00 13.11 H new ATOM 0 HB3 LEU A 59 6.611 7.393 -1.604 1.00 13.11 H new ATOM 0 HG LEU A 59 5.224 4.738 -1.161 1.00 11.21 H new ATOM 0 HD11 LEU A 59 5.328 5.334 1.245 1.00 22.15 H new ATOM 0 HD12 LEU A 59 6.952 5.142 0.544 1.00 22.15 H new ATOM 0 HD13 LEU A 59 6.296 6.771 0.836 1.00 22.15 H new ATOM 0 HD21 LEU A 59 3.458 6.103 -0.123 1.00 22.51 H new ATOM 0 HD22 LEU A 59 4.348 7.580 -0.566 1.00 22.51 H new ATOM 0 HD23 LEU A 59 3.698 6.517 -1.837 1.00 22.51 H new ATOM 890 N THR A 60 6.541 3.965 -3.954 1.00 21.30 N ATOM 891 CA THR A 60 6.215 2.601 -4.325 1.00 23.33 C ATOM 892 C THR A 60 6.749 1.618 -3.288 1.00 32.22 C ATOM 893 O THR A 60 7.960 1.513 -3.082 1.00 71.21 O ATOM 894 CB THR A 60 6.797 2.265 -5.709 1.00 24.15 C ATOM 895 OG1 THR A 60 6.541 3.351 -6.611 1.00 71.34 O ATOM 896 CG2 THR A 60 6.185 0.987 -6.264 1.00 44.41 C ATOM 0 H THR A 60 7.541 4.165 -3.918 1.00 21.30 H new ATOM 0 HA THR A 60 5.129 2.513 -4.366 1.00 23.33 H new ATOM 0 HB THR A 60 7.871 2.113 -5.604 1.00 24.15 H new ATOM 0 HG1 THR A 60 6.913 3.139 -7.492 1.00 71.34 H new ATOM 0 HG21 THR A 60 6.614 0.773 -7.243 1.00 44.41 H new ATOM 0 HG22 THR A 60 6.395 0.159 -5.587 1.00 44.41 H new ATOM 0 HG23 THR A 60 5.106 1.112 -6.360 1.00 44.41 H new ATOM 904 N ALA A 61 5.838 0.926 -2.621 1.00 42.12 N ATOM 905 CA ALA A 61 6.206 -0.052 -1.611 1.00 41.15 C ATOM 906 C ALA A 61 6.068 -1.469 -2.157 1.00 52.42 C ATOM 907 O ALA A 61 4.970 -1.919 -2.474 1.00 14.23 O ATOM 908 CB ALA A 61 5.347 0.132 -0.369 1.00 32.21 C ATOM 0 H ALA A 61 4.833 1.025 -2.763 1.00 42.12 H new ATOM 0 HA ALA A 61 7.250 0.104 -1.339 1.00 41.15 H new ATOM 0 HB1 ALA A 61 5.630 -0.606 0.382 1.00 32.21 H new ATOM 0 HB2 ALA A 61 5.497 1.134 0.032 1.00 32.21 H new ATOM 0 HB3 ALA A 61 4.297 -0.001 -0.630 1.00 32.21 H new ATOM 914 N ARG A 62 7.193 -2.159 -2.267 1.00 30.41 N ATOM 915 CA ARG A 62 7.231 -3.516 -2.792 1.00 60.33 C ATOM 916 C ARG A 62 7.130 -4.518 -1.643 1.00 71.32 C ATOM 917 O ARG A 62 8.021 -4.589 -0.801 1.00 10.32 O ATOM 918 CB ARG A 62 8.535 -3.711 -3.586 1.00 24.43 C ATOM 919 CG ARG A 62 8.797 -5.137 -4.049 1.00 20.51 C ATOM 920 CD ARG A 62 7.738 -5.635 -5.023 1.00 53.11 C ATOM 921 NE ARG A 62 7.665 -4.838 -6.249 1.00 21.33 N ATOM 922 CZ ARG A 62 8.320 -5.128 -7.376 1.00 30.12 C ATOM 923 NH1 ARG A 62 9.242 -6.087 -7.393 1.00 10.32 N ATOM 924 NH2 ARG A 62 8.058 -4.436 -8.479 1.00 30.44 N ATOM 0 H ARG A 62 8.106 -1.794 -1.995 1.00 30.41 H new ATOM 0 HA ARG A 62 6.386 -3.684 -3.460 1.00 60.33 H new ATOM 0 HB2 ARG A 62 8.512 -3.059 -4.460 1.00 24.43 H new ATOM 0 HB3 ARG A 62 9.372 -3.386 -2.968 1.00 24.43 H new ATOM 0 HG2 ARG A 62 9.777 -5.187 -4.525 1.00 20.51 H new ATOM 0 HG3 ARG A 62 8.829 -5.797 -3.182 1.00 20.51 H new ATOM 0 HD2 ARG A 62 7.951 -6.672 -5.283 1.00 53.11 H new ATOM 0 HD3 ARG A 62 6.766 -5.623 -4.531 1.00 53.11 H new ATOM 0 HE ARG A 62 7.075 -4.006 -6.242 1.00 21.33 H new ATOM 0 HH11 ARG A 62 9.453 -6.607 -6.541 1.00 10.32 H new ATOM 0 HH12 ARG A 62 9.738 -6.302 -8.258 1.00 10.32 H new ATOM 0 HH21 ARG A 62 7.362 -3.691 -8.460 1.00 30.44 H new ATOM 0 HH22 ARG A 62 8.553 -4.650 -9.345 1.00 30.44 H new ATOM 938 N PHE A 63 6.047 -5.289 -1.618 1.00 72.03 N ATOM 939 CA PHE A 63 5.801 -6.230 -0.529 1.00 72.40 C ATOM 940 C PHE A 63 5.967 -7.673 -0.990 1.00 34.21 C ATOM 941 O PHE A 63 5.534 -8.044 -2.083 1.00 51.02 O ATOM 942 CB PHE A 63 4.387 -6.056 0.036 1.00 13.31 C ATOM 943 CG PHE A 63 4.126 -4.720 0.664 1.00 25.13 C ATOM 944 CD1 PHE A 63 4.548 -4.452 1.954 1.00 11.33 C ATOM 945 CD2 PHE A 63 3.442 -3.737 -0.031 1.00 14.20 C ATOM 946 CE1 PHE A 63 4.296 -3.228 2.541 1.00 73.25 C ATOM 947 CE2 PHE A 63 3.187 -2.510 0.548 1.00 62.43 C ATOM 948 CZ PHE A 63 3.615 -2.255 1.836 1.00 22.22 C ATOM 0 H PHE A 63 5.326 -5.281 -2.339 1.00 72.03 H new ATOM 0 HA PHE A 63 6.537 -6.015 0.246 1.00 72.40 H new ATOM 0 HB2 PHE A 63 3.667 -6.212 -0.767 1.00 13.31 H new ATOM 0 HB3 PHE A 63 4.209 -6.833 0.779 1.00 13.31 H new ATOM 0 HD1 PHE A 63 5.081 -5.210 2.509 1.00 11.33 H new ATOM 0 HD2 PHE A 63 3.104 -3.932 -1.038 1.00 14.20 H new ATOM 0 HE1 PHE A 63 4.631 -3.032 3.549 1.00 73.25 H new ATOM 0 HE2 PHE A 63 2.654 -1.751 -0.005 1.00 62.43 H new ATOM 0 HZ PHE A 63 3.417 -1.296 2.291 1.00 22.22 H new ATOM 958 N LYS A 64 6.601 -8.473 -0.150 1.00 14.51 N ATOM 959 CA LYS A 64 6.686 -9.908 -0.351 1.00 54.53 C ATOM 960 C LYS A 64 6.260 -10.634 0.918 1.00 71.42 C ATOM 961 O LYS A 64 6.688 -10.287 2.019 1.00 22.21 O ATOM 962 CB LYS A 64 8.105 -10.335 -0.736 1.00 63.11 C ATOM 963 CG LYS A 64 8.328 -11.833 -0.595 1.00 43.43 C ATOM 964 CD LYS A 64 9.660 -12.283 -1.169 1.00 2.12 C ATOM 965 CE LYS A 64 9.954 -13.726 -0.794 1.00 45.32 C ATOM 966 NZ LYS A 64 8.767 -14.600 -0.989 1.00 63.11 N ATOM 0 H LYS A 64 7.072 -8.144 0.693 1.00 14.51 H new ATOM 0 HA LYS A 64 6.017 -10.173 -1.170 1.00 54.53 H new ATOM 0 HB2 LYS A 64 8.302 -10.038 -1.766 1.00 63.11 H new ATOM 0 HB3 LYS A 64 8.822 -9.805 -0.109 1.00 63.11 H new ATOM 0 HG2 LYS A 64 8.280 -12.106 0.459 1.00 43.43 H new ATOM 0 HG3 LYS A 64 7.521 -12.365 -1.099 1.00 43.43 H new ATOM 0 HD2 LYS A 64 9.646 -12.181 -2.254 1.00 2.12 H new ATOM 0 HD3 LYS A 64 10.456 -11.638 -0.799 1.00 2.12 H new ATOM 0 HE2 LYS A 64 10.782 -14.097 -1.398 1.00 45.32 H new ATOM 0 HE3 LYS A 64 10.273 -13.773 0.247 1.00 45.32 H new ATOM 0 HZ1 LYS A 64 9.066 -15.596 -0.988 1.00 63.11 H new ATOM 0 HZ2 LYS A 64 8.089 -14.441 -0.217 1.00 63.11 H new ATOM 0 HZ3 LYS A 64 8.316 -14.375 -1.898 1.00 63.11 H new ATOM 980 N PHE A 65 5.418 -11.639 0.758 1.00 42.13 N ATOM 981 CA PHE A 65 4.946 -12.423 1.885 1.00 44.44 C ATOM 982 C PHE A 65 5.551 -13.817 1.849 1.00 45.24 C ATOM 983 O PHE A 65 6.359 -14.132 0.966 1.00 73.34 O ATOM 984 CB PHE A 65 3.417 -12.493 1.879 1.00 40.12 C ATOM 985 CG PHE A 65 2.761 -11.154 2.085 1.00 62.45 C ATOM 986 CD1 PHE A 65 2.510 -10.316 1.009 1.00 15.45 C ATOM 987 CD2 PHE A 65 2.399 -10.734 3.353 1.00 61.34 C ATOM 988 CE1 PHE A 65 1.911 -9.086 1.196 1.00 0.20 C ATOM 989 CE2 PHE A 65 1.799 -9.506 3.546 1.00 50.13 C ATOM 990 CZ PHE A 65 1.555 -8.681 2.467 1.00 42.15 C ATOM 0 H PHE A 65 5.046 -11.932 -0.145 1.00 42.13 H new ATOM 0 HA PHE A 65 5.263 -11.938 2.808 1.00 44.44 H new ATOM 0 HB2 PHE A 65 3.083 -12.912 0.930 1.00 40.12 H new ATOM 0 HB3 PHE A 65 3.088 -13.176 2.662 1.00 40.12 H new ATOM 0 HD1 PHE A 65 2.786 -10.629 0.013 1.00 15.45 H new ATOM 0 HD2 PHE A 65 2.588 -11.375 4.202 1.00 61.34 H new ATOM 0 HE1 PHE A 65 1.721 -8.442 0.350 1.00 0.20 H new ATOM 0 HE2 PHE A 65 1.521 -9.191 4.541 1.00 50.13 H new ATOM 0 HZ PHE A 65 1.086 -7.720 2.617 1.00 42.15 H new ATOM 1000 N GLU A 66 5.163 -14.645 2.806 1.00 41.25 N ATOM 1001 CA GLU A 66 5.688 -15.995 2.897 1.00 73.42 C ATOM 1002 C GLU A 66 4.992 -16.893 1.888 1.00 34.34 C ATOM 1003 O GLU A 66 5.640 -17.575 1.093 1.00 13.45 O ATOM 1004 CB GLU A 66 5.513 -16.537 4.317 1.00 41.45 C ATOM 1005 CG GLU A 66 6.801 -16.569 5.121 1.00 14.23 C ATOM 1006 CD GLU A 66 7.710 -17.703 4.702 1.00 31.42 C ATOM 1007 OE1 GLU A 66 8.514 -17.522 3.767 1.00 1.21 O ATOM 1008 OE2 GLU A 66 7.618 -18.793 5.306 1.00 44.43 O ATOM 0 H GLU A 66 4.486 -14.404 3.530 1.00 41.25 H new ATOM 0 HA GLU A 66 6.753 -15.978 2.667 1.00 73.42 H new ATOM 0 HB2 GLU A 66 4.782 -15.923 4.843 1.00 41.45 H new ATOM 0 HB3 GLU A 66 5.103 -17.546 4.264 1.00 41.45 H new ATOM 0 HG2 GLU A 66 7.326 -15.621 5.000 1.00 14.23 H new ATOM 0 HG3 GLU A 66 6.563 -16.669 6.180 1.00 14.23 H new ATOM 1015 N VAL A 67 3.671 -16.885 1.912 1.00 53.51 N ATOM 1016 CA VAL A 67 2.902 -17.664 0.956 1.00 0.54 C ATOM 1017 C VAL A 67 2.081 -16.747 0.053 1.00 12.13 C ATOM 1018 O VAL A 67 1.766 -15.613 0.420 1.00 12.23 O ATOM 1019 CB VAL A 67 1.978 -18.693 1.645 1.00 24.14 C ATOM 1020 CG1 VAL A 67 2.793 -19.672 2.478 1.00 52.44 C ATOM 1021 CG2 VAL A 67 0.932 -18.003 2.503 1.00 21.23 C ATOM 0 H VAL A 67 3.111 -16.352 2.578 1.00 53.51 H new ATOM 0 HA VAL A 67 3.618 -18.220 0.351 1.00 0.54 H new ATOM 0 HB VAL A 67 1.458 -19.251 0.866 1.00 24.14 H new ATOM 0 HG11 VAL A 67 2.124 -20.388 2.955 1.00 52.44 H new ATOM 0 HG12 VAL A 67 3.493 -20.203 1.833 1.00 52.44 H new ATOM 0 HG13 VAL A 67 3.346 -19.127 3.243 1.00 52.44 H new ATOM 0 HG21 VAL A 67 0.297 -18.752 2.975 1.00 21.23 H new ATOM 0 HG22 VAL A 67 1.426 -17.410 3.272 1.00 21.23 H new ATOM 0 HG23 VAL A 67 0.321 -17.351 1.878 1.00 21.23 H new ATOM 1031 N SER A 68 1.741 -17.246 -1.130 1.00 3.54 N ATOM 1032 CA SER A 68 1.000 -16.475 -2.122 1.00 11.51 C ATOM 1033 C SER A 68 -0.365 -16.051 -1.592 1.00 2.13 C ATOM 1034 O SER A 68 -0.913 -15.022 -1.994 1.00 64.23 O ATOM 1035 CB SER A 68 0.843 -17.320 -3.383 1.00 13.54 C ATOM 1036 OG SER A 68 1.975 -18.156 -3.557 1.00 61.22 O ATOM 0 H SER A 68 1.970 -18.194 -1.428 1.00 3.54 H new ATOM 0 HA SER A 68 1.555 -15.565 -2.350 1.00 11.51 H new ATOM 0 HB2 SER A 68 -0.059 -17.927 -3.312 1.00 13.54 H new ATOM 0 HB3 SER A 68 0.724 -16.672 -4.251 1.00 13.54 H new ATOM 0 HG SER A 68 2.216 -18.187 -4.506 1.00 61.22 H new ATOM 1042 N ALA A 69 -0.891 -16.837 -0.667 1.00 52.12 N ATOM 1043 CA ALA A 69 -2.191 -16.567 -0.070 1.00 62.04 C ATOM 1044 C ALA A 69 -2.176 -15.248 0.692 1.00 24.11 C ATOM 1045 O ALA A 69 -3.085 -14.435 0.552 1.00 72.51 O ATOM 1046 CB ALA A 69 -2.594 -17.708 0.850 1.00 53.25 C ATOM 0 H ALA A 69 -0.433 -17.676 -0.310 1.00 52.12 H new ATOM 0 HA ALA A 69 -2.926 -16.486 -0.871 1.00 62.04 H new ATOM 0 HB1 ALA A 69 -3.568 -17.494 1.290 1.00 53.25 H new ATOM 0 HB2 ALA A 69 -2.650 -18.634 0.278 1.00 53.25 H new ATOM 0 HB3 ALA A 69 -1.853 -17.815 1.643 1.00 53.25 H new ATOM 1052 N GLU A 70 -1.124 -15.035 1.479 1.00 64.22 N ATOM 1053 CA GLU A 70 -0.972 -13.813 2.261 1.00 32.20 C ATOM 1054 C GLU A 70 -0.935 -12.592 1.352 1.00 20.34 C ATOM 1055 O GLU A 70 -1.474 -11.536 1.682 1.00 71.24 O ATOM 1056 CB GLU A 70 0.313 -13.887 3.080 1.00 25.13 C ATOM 1057 CG GLU A 70 0.335 -15.039 4.064 1.00 23.02 C ATOM 1058 CD GLU A 70 1.668 -15.179 4.762 1.00 50.32 C ATOM 1059 OE1 GLU A 70 2.695 -15.269 4.063 1.00 50.33 O ATOM 1060 OE2 GLU A 70 1.688 -15.212 6.011 1.00 65.11 O ATOM 0 H GLU A 70 -0.359 -15.700 1.592 1.00 64.22 H new ATOM 0 HA GLU A 70 -1.827 -13.718 2.930 1.00 32.20 H new ATOM 0 HB2 GLU A 70 1.162 -13.982 2.403 1.00 25.13 H new ATOM 0 HB3 GLU A 70 0.442 -12.952 3.624 1.00 25.13 H new ATOM 0 HG2 GLU A 70 -0.447 -14.892 4.808 1.00 23.02 H new ATOM 0 HG3 GLU A 70 0.105 -15.966 3.539 1.00 23.02 H new ATOM 1067 N LYS A 71 -0.303 -12.761 0.200 1.00 33.44 N ATOM 1068 CA LYS A 71 -0.199 -11.707 -0.794 1.00 53.12 C ATOM 1069 C LYS A 71 -1.589 -11.322 -1.279 1.00 71.11 C ATOM 1070 O LYS A 71 -1.979 -10.156 -1.236 1.00 74.04 O ATOM 1071 CB LYS A 71 0.652 -12.202 -1.963 1.00 74.41 C ATOM 1072 CG LYS A 71 1.334 -11.096 -2.755 1.00 4.05 C ATOM 1073 CD LYS A 71 0.437 -10.533 -3.848 1.00 4.30 C ATOM 1074 CE LYS A 71 0.164 -11.559 -4.935 1.00 23.02 C ATOM 1075 NZ LYS A 71 -0.572 -10.968 -6.085 1.00 21.21 N ATOM 0 H LYS A 71 0.152 -13.633 -0.071 1.00 33.44 H new ATOM 0 HA LYS A 71 0.273 -10.829 -0.354 1.00 53.12 H new ATOM 0 HB2 LYS A 71 1.414 -12.881 -1.580 1.00 74.41 H new ATOM 0 HB3 LYS A 71 0.020 -12.779 -2.638 1.00 74.41 H new ATOM 0 HG2 LYS A 71 1.625 -10.293 -2.078 1.00 4.05 H new ATOM 0 HG3 LYS A 71 2.249 -11.484 -3.202 1.00 4.05 H new ATOM 0 HD2 LYS A 71 -0.507 -10.205 -3.412 1.00 4.30 H new ATOM 0 HD3 LYS A 71 0.907 -9.653 -4.288 1.00 4.30 H new ATOM 0 HE2 LYS A 71 1.108 -11.977 -5.285 1.00 23.02 H new ATOM 0 HE3 LYS A 71 -0.415 -12.383 -4.519 1.00 23.02 H new ATOM 0 HZ1 LYS A 71 -0.475 -11.588 -6.915 1.00 21.21 H new ATOM 0 HZ2 LYS A 71 -1.578 -10.871 -5.840 1.00 21.21 H new ATOM 0 HZ3 LYS A 71 -0.178 -10.031 -6.305 1.00 21.21 H new ATOM 1089 N LEU A 72 -2.330 -12.327 -1.722 1.00 51.33 N ATOM 1090 CA LEU A 72 -3.690 -12.128 -2.214 1.00 65.44 C ATOM 1091 C LEU A 72 -4.598 -11.541 -1.132 1.00 35.24 C ATOM 1092 O LEU A 72 -5.387 -10.638 -1.401 1.00 65.44 O ATOM 1093 CB LEU A 72 -4.271 -13.451 -2.719 1.00 12.34 C ATOM 1094 CG LEU A 72 -3.510 -14.104 -3.877 1.00 52.34 C ATOM 1095 CD1 LEU A 72 -4.126 -15.448 -4.227 1.00 11.24 C ATOM 1096 CD2 LEU A 72 -3.505 -13.190 -5.094 1.00 72.04 C ATOM 0 H LEU A 72 -2.012 -13.296 -1.752 1.00 51.33 H new ATOM 0 HA LEU A 72 -3.642 -11.416 -3.038 1.00 65.44 H new ATOM 0 HB2 LEU A 72 -4.305 -14.154 -1.887 1.00 12.34 H new ATOM 0 HB3 LEU A 72 -5.300 -13.279 -3.034 1.00 12.34 H new ATOM 0 HG LEU A 72 -2.479 -14.267 -3.563 1.00 52.34 H new ATOM 0 HD11 LEU A 72 -3.573 -15.898 -5.052 1.00 11.24 H new ATOM 0 HD12 LEU A 72 -4.082 -16.106 -3.359 1.00 11.24 H new ATOM 0 HD13 LEU A 72 -5.166 -15.306 -4.522 1.00 11.24 H new ATOM 0 HD21 LEU A 72 -2.960 -13.670 -5.907 1.00 72.04 H new ATOM 0 HD22 LEU A 72 -4.531 -12.997 -5.409 1.00 72.04 H new ATOM 0 HD23 LEU A 72 -3.021 -12.247 -4.839 1.00 72.04 H new ATOM 1108 N ILE A 73 -4.485 -12.057 0.089 1.00 44.10 N ATOM 1109 CA ILE A 73 -5.290 -11.569 1.206 1.00 71.11 C ATOM 1110 C ILE A 73 -5.013 -10.092 1.475 1.00 33.01 C ATOM 1111 O ILE A 73 -5.936 -9.316 1.730 1.00 30.05 O ATOM 1112 CB ILE A 73 -5.037 -12.387 2.493 1.00 15.12 C ATOM 1113 CG1 ILE A 73 -5.514 -13.829 2.304 1.00 65.25 C ATOM 1114 CG2 ILE A 73 -5.732 -11.752 3.694 1.00 62.00 C ATOM 1115 CD1 ILE A 73 -6.976 -13.949 1.921 1.00 41.23 C ATOM 0 H ILE A 73 -3.844 -12.813 0.330 1.00 44.10 H new ATOM 0 HA ILE A 73 -6.335 -11.691 0.921 1.00 71.11 H new ATOM 0 HB ILE A 73 -3.965 -12.391 2.688 1.00 15.12 H new ATOM 0 HG12 ILE A 73 -4.907 -14.304 1.533 1.00 65.25 H new ATOM 0 HG13 ILE A 73 -5.345 -14.381 3.228 1.00 65.25 H new ATOM 0 HG21 ILE A 73 -5.537 -12.349 4.585 1.00 62.00 H new ATOM 0 HG22 ILE A 73 -5.351 -10.742 3.843 1.00 62.00 H new ATOM 0 HG23 ILE A 73 -6.806 -11.711 3.513 1.00 62.00 H new ATOM 0 HD11 ILE A 73 -7.237 -15.001 1.806 1.00 41.23 H new ATOM 0 HD12 ILE A 73 -7.594 -13.505 2.702 1.00 41.23 H new ATOM 0 HD13 ILE A 73 -7.150 -13.427 0.980 1.00 41.23 H new ATOM 1127 N PHE A 74 -3.745 -9.706 1.399 1.00 34.54 N ATOM 1128 CA PHE A 74 -3.359 -8.314 1.594 1.00 33.33 C ATOM 1129 C PHE A 74 -3.984 -7.440 0.510 1.00 52.32 C ATOM 1130 O PHE A 74 -4.484 -6.349 0.789 1.00 72.44 O ATOM 1131 CB PHE A 74 -1.835 -8.178 1.579 1.00 75.50 C ATOM 1132 CG PHE A 74 -1.340 -6.791 1.888 1.00 31.25 C ATOM 1133 CD1 PHE A 74 -1.330 -6.320 3.191 1.00 13.41 C ATOM 1134 CD2 PHE A 74 -0.882 -5.960 0.877 1.00 22.14 C ATOM 1135 CE1 PHE A 74 -0.871 -5.048 3.479 1.00 54.40 C ATOM 1136 CE2 PHE A 74 -0.424 -4.688 1.160 1.00 21.11 C ATOM 1137 CZ PHE A 74 -0.418 -4.231 2.462 1.00 54.22 C ATOM 0 H PHE A 74 -2.967 -10.337 1.204 1.00 34.54 H new ATOM 0 HA PHE A 74 -3.725 -7.980 2.565 1.00 33.33 H new ATOM 0 HB2 PHE A 74 -1.412 -8.873 2.304 1.00 75.50 H new ATOM 0 HB3 PHE A 74 -1.464 -8.475 0.598 1.00 75.50 H new ATOM 0 HD1 PHE A 74 -1.685 -6.953 3.991 1.00 13.41 H new ATOM 0 HD2 PHE A 74 -0.883 -6.312 -0.144 1.00 22.14 H new ATOM 0 HE1 PHE A 74 -0.867 -4.693 4.499 1.00 54.40 H new ATOM 0 HE2 PHE A 74 -0.071 -4.051 0.362 1.00 21.11 H new ATOM 0 HZ PHE A 74 -0.060 -3.237 2.685 1.00 54.22 H new ATOM 1147 N GLU A 75 -3.970 -7.936 -0.720 1.00 62.12 N ATOM 1148 CA GLU A 75 -4.574 -7.229 -1.842 1.00 61.40 C ATOM 1149 C GLU A 75 -6.085 -7.093 -1.648 1.00 11.23 C ATOM 1150 O GLU A 75 -6.670 -6.052 -1.941 1.00 52.41 O ATOM 1151 CB GLU A 75 -4.268 -7.959 -3.153 1.00 32.24 C ATOM 1152 CG GLU A 75 -2.796 -7.950 -3.527 1.00 4.02 C ATOM 1153 CD GLU A 75 -2.531 -8.637 -4.852 1.00 30.52 C ATOM 1154 OE1 GLU A 75 -2.648 -9.878 -4.920 1.00 5.03 O ATOM 1155 OE2 GLU A 75 -2.195 -7.944 -5.835 1.00 52.13 O ATOM 0 H GLU A 75 -3.545 -8.830 -0.967 1.00 62.12 H new ATOM 0 HA GLU A 75 -4.145 -6.228 -1.889 1.00 61.40 H new ATOM 0 HB2 GLU A 75 -4.607 -8.992 -3.071 1.00 32.24 H new ATOM 0 HB3 GLU A 75 -4.841 -7.498 -3.958 1.00 32.24 H new ATOM 0 HG2 GLU A 75 -2.444 -6.920 -3.578 1.00 4.02 H new ATOM 0 HG3 GLU A 75 -2.222 -8.445 -2.743 1.00 4.02 H new ATOM 1162 N LEU A 76 -6.704 -8.147 -1.132 1.00 14.30 N ATOM 1163 CA LEU A 76 -8.124 -8.162 -0.877 1.00 24.12 C ATOM 1164 C LEU A 76 -8.504 -7.183 0.231 1.00 15.21 C ATOM 1165 O LEU A 76 -9.481 -6.442 0.110 1.00 11.25 O ATOM 1166 CB LEU A 76 -8.539 -9.578 -0.500 1.00 2.32 C ATOM 1167 CG LEU A 76 -8.474 -10.602 -1.632 1.00 2.20 C ATOM 1168 CD1 LEU A 76 -8.845 -11.984 -1.123 1.00 22.13 C ATOM 1169 CD2 LEU A 76 -9.389 -10.192 -2.776 1.00 33.24 C ATOM 0 H LEU A 76 -6.228 -9.013 -0.881 1.00 14.30 H new ATOM 0 HA LEU A 76 -8.648 -7.847 -1.779 1.00 24.12 H new ATOM 0 HB2 LEU A 76 -7.901 -9.921 0.315 1.00 2.32 H new ATOM 0 HB3 LEU A 76 -9.559 -9.550 -0.116 1.00 2.32 H new ATOM 0 HG LEU A 76 -7.451 -10.636 -2.005 1.00 2.20 H new ATOM 0 HD11 LEU A 76 -8.793 -12.700 -1.943 1.00 22.13 H new ATOM 0 HD12 LEU A 76 -8.150 -12.281 -0.338 1.00 22.13 H new ATOM 0 HD13 LEU A 76 -9.859 -11.964 -0.722 1.00 22.13 H new ATOM 0 HD21 LEU A 76 -9.330 -10.933 -3.573 1.00 33.24 H new ATOM 0 HD22 LEU A 76 -10.416 -10.128 -2.416 1.00 33.24 H new ATOM 0 HD23 LEU A 76 -9.078 -9.220 -3.160 1.00 33.24 H new ATOM 1181 N LYS A 77 -7.723 -7.173 1.304 1.00 44.34 N ATOM 1182 CA LYS A 77 -8.004 -6.305 2.444 1.00 23.43 C ATOM 1183 C LYS A 77 -7.746 -4.839 2.115 1.00 62.12 C ATOM 1184 O LYS A 77 -8.454 -3.955 2.605 1.00 73.41 O ATOM 1185 CB LYS A 77 -7.180 -6.721 3.661 1.00 2.24 C ATOM 1186 CG LYS A 77 -7.690 -7.988 4.331 1.00 75.15 C ATOM 1187 CD LYS A 77 -6.906 -8.309 5.592 1.00 21.32 C ATOM 1188 CE LYS A 77 -7.549 -9.447 6.371 1.00 34.52 C ATOM 1189 NZ LYS A 77 -6.810 -9.753 7.623 1.00 32.25 N ATOM 0 H LYS A 77 -6.892 -7.754 1.410 1.00 44.34 H new ATOM 0 HA LYS A 77 -9.063 -6.416 2.679 1.00 23.43 H new ATOM 0 HB2 LYS A 77 -6.145 -6.872 3.355 1.00 2.24 H new ATOM 0 HB3 LYS A 77 -7.183 -5.908 4.387 1.00 2.24 H new ATOM 0 HG2 LYS A 77 -8.745 -7.870 4.578 1.00 75.15 H new ATOM 0 HG3 LYS A 77 -7.617 -8.823 3.634 1.00 75.15 H new ATOM 0 HD2 LYS A 77 -5.884 -8.579 5.328 1.00 21.32 H new ATOM 0 HD3 LYS A 77 -6.848 -7.422 6.222 1.00 21.32 H new ATOM 0 HE2 LYS A 77 -8.579 -9.184 6.613 1.00 34.52 H new ATOM 0 HE3 LYS A 77 -7.587 -10.339 5.745 1.00 34.52 H new ATOM 0 HZ1 LYS A 77 -7.282 -10.534 8.123 1.00 32.25 H new ATOM 0 HZ2 LYS A 77 -5.834 -10.029 7.392 1.00 32.25 H new ATOM 0 HZ3 LYS A 77 -6.796 -8.910 8.233 1.00 32.25 H new ATOM 1203 N THR A 78 -6.739 -4.574 1.290 1.00 41.41 N ATOM 1204 CA THR A 78 -6.432 -3.206 0.899 1.00 74.35 C ATOM 1205 C THR A 78 -7.531 -2.638 0.010 1.00 65.03 C ATOM 1206 O THR A 78 -7.781 -1.439 0.017 1.00 22.15 O ATOM 1207 CB THR A 78 -5.069 -3.095 0.186 1.00 32.13 C ATOM 1208 OG1 THR A 78 -4.930 -4.134 -0.786 1.00 71.41 O ATOM 1209 CG2 THR A 78 -3.926 -3.169 1.186 1.00 14.04 C ATOM 0 H THR A 78 -6.128 -5.282 0.883 1.00 41.41 H new ATOM 0 HA THR A 78 -6.375 -2.621 1.817 1.00 74.35 H new ATOM 0 HB THR A 78 -5.029 -2.128 -0.316 1.00 32.13 H new ATOM 0 HG1 THR A 78 -4.653 -4.963 -0.342 1.00 71.41 H new ATOM 0 HG21 THR A 78 -2.975 -3.088 0.659 1.00 14.04 H new ATOM 0 HG22 THR A 78 -4.015 -2.351 1.901 1.00 14.04 H new ATOM 0 HG23 THR A 78 -3.967 -4.121 1.716 1.00 14.04 H new ATOM 1217 N ARG A 79 -8.201 -3.511 -0.738 1.00 52.21 N ATOM 1218 CA ARG A 79 -9.329 -3.118 -1.559 1.00 63.40 C ATOM 1219 C ARG A 79 -10.439 -2.509 -0.711 1.00 35.20 C ATOM 1220 O ARG A 79 -11.029 -1.495 -1.078 1.00 41.54 O ATOM 1221 CB ARG A 79 -9.849 -4.335 -2.318 1.00 4.34 C ATOM 1222 CG ARG A 79 -9.032 -4.681 -3.549 1.00 2.34 C ATOM 1223 CD ARG A 79 -9.245 -3.660 -4.653 1.00 21.52 C ATOM 1224 NE ARG A 79 -8.411 -3.928 -5.821 1.00 53.13 N ATOM 1225 CZ ARG A 79 -8.877 -4.040 -7.063 1.00 44.44 C ATOM 1226 NH1 ARG A 79 -10.186 -3.999 -7.297 1.00 4.33 N ATOM 1227 NH2 ARG A 79 -8.028 -4.220 -8.068 1.00 72.24 N ATOM 0 H ARG A 79 -7.974 -4.504 -0.788 1.00 52.21 H new ATOM 0 HA ARG A 79 -8.999 -2.359 -2.268 1.00 63.40 H new ATOM 0 HB2 ARG A 79 -9.859 -5.194 -1.647 1.00 4.34 H new ATOM 0 HB3 ARG A 79 -10.881 -4.152 -2.617 1.00 4.34 H new ATOM 0 HG2 ARG A 79 -7.975 -4.723 -3.287 1.00 2.34 H new ATOM 0 HG3 ARG A 79 -9.311 -5.672 -3.907 1.00 2.34 H new ATOM 0 HD2 ARG A 79 -10.294 -3.662 -4.950 1.00 21.52 H new ATOM 0 HD3 ARG A 79 -9.023 -2.663 -4.271 1.00 21.52 H new ATOM 0 HE ARG A 79 -7.407 -4.036 -5.676 1.00 53.13 H new ATOM 0 HH11 ARG A 79 -10.839 -3.881 -6.522 1.00 4.33 H new ATOM 0 HH12 ARG A 79 -10.536 -4.085 -8.251 1.00 4.33 H new ATOM 0 HH21 ARG A 79 -7.026 -4.272 -7.886 1.00 72.24 H new ATOM 0 HH22 ARG A 79 -8.378 -4.307 -9.022 1.00 72.24 H new ATOM 1241 N SER A 80 -10.720 -3.138 0.420 1.00 1.33 N ATOM 1242 CA SER A 80 -11.770 -2.692 1.308 1.00 44.14 C ATOM 1243 C SER A 80 -11.343 -1.461 2.109 1.00 31.02 C ATOM 1244 O SER A 80 -12.174 -0.744 2.665 1.00 50.20 O ATOM 1245 CB SER A 80 -12.128 -3.837 2.249 1.00 23.43 C ATOM 1246 OG SER A 80 -12.304 -5.051 1.535 1.00 52.12 O ATOM 0 H SER A 80 -10.225 -3.969 0.743 1.00 1.33 H new ATOM 0 HA SER A 80 -12.638 -2.405 0.715 1.00 44.14 H new ATOM 0 HB2 SER A 80 -11.341 -3.960 2.993 1.00 23.43 H new ATOM 0 HB3 SER A 80 -13.042 -3.594 2.790 1.00 23.43 H new ATOM 0 HG SER A 80 -12.531 -5.769 2.162 1.00 52.12 H new ATOM 1252 N LEU A 81 -10.043 -1.222 2.164 1.00 50.31 N ATOM 1253 CA LEU A 81 -9.496 -0.099 2.888 1.00 3.52 C ATOM 1254 C LEU A 81 -9.359 1.113 1.969 1.00 32.21 C ATOM 1255 O LEU A 81 -9.660 2.243 2.350 1.00 15.54 O ATOM 1256 CB LEU A 81 -8.136 -0.500 3.466 1.00 43.11 C ATOM 1257 CG LEU A 81 -7.213 0.659 3.803 1.00 3.31 C ATOM 1258 CD1 LEU A 81 -7.744 1.450 4.991 1.00 15.11 C ATOM 1259 CD2 LEU A 81 -5.800 0.166 4.069 1.00 2.50 C ATOM 0 H LEU A 81 -9.342 -1.804 1.706 1.00 50.31 H new ATOM 0 HA LEU A 81 -10.167 0.177 3.701 1.00 3.52 H new ATOM 0 HB2 LEU A 81 -8.301 -1.087 4.369 1.00 43.11 H new ATOM 0 HB3 LEU A 81 -7.632 -1.150 2.751 1.00 43.11 H new ATOM 0 HG LEU A 81 -7.182 1.326 2.941 1.00 3.31 H new ATOM 0 HD11 LEU A 81 -7.065 2.274 5.212 1.00 15.11 H new ATOM 0 HD12 LEU A 81 -8.731 1.847 4.752 1.00 15.11 H new ATOM 0 HD13 LEU A 81 -7.816 0.796 5.860 1.00 15.11 H new ATOM 0 HD21 LEU A 81 -5.158 1.014 4.308 1.00 2.50 H new ATOM 0 HD22 LEU A 81 -5.809 -0.530 4.908 1.00 2.50 H new ATOM 0 HD23 LEU A 81 -5.418 -0.340 3.182 1.00 2.50 H new ATOM 1271 N ALA A 82 -8.933 0.859 0.745 1.00 72.41 N ATOM 1272 CA ALA A 82 -8.650 1.921 -0.208 1.00 52.51 C ATOM 1273 C ALA A 82 -9.735 2.005 -1.272 1.00 54.12 C ATOM 1274 O ALA A 82 -9.488 2.434 -2.393 1.00 63.33 O ATOM 1275 CB ALA A 82 -7.289 1.693 -0.849 1.00 33.31 C ATOM 0 H ALA A 82 -8.774 -0.081 0.384 1.00 72.41 H new ATOM 0 HA ALA A 82 -8.635 2.870 0.328 1.00 52.51 H new ATOM 0 HB1 ALA A 82 -7.084 2.492 -1.561 1.00 33.31 H new ATOM 0 HB2 ALA A 82 -6.519 1.689 -0.077 1.00 33.31 H new ATOM 0 HB3 ALA A 82 -7.287 0.735 -1.368 1.00 33.31 H new ATOM 1281 N ARG A 83 -10.946 1.612 -0.906 1.00 64.12 N ATOM 1282 CA ARG A 83 -12.078 1.694 -1.821 1.00 31.54 C ATOM 1283 C ARG A 83 -12.433 3.158 -2.090 1.00 44.32 C ATOM 1284 O ARG A 83 -13.116 3.483 -3.060 1.00 43.11 O ATOM 1285 CB ARG A 83 -13.279 0.950 -1.238 1.00 41.03 C ATOM 1286 CG ARG A 83 -14.415 0.741 -2.229 1.00 61.32 C ATOM 1287 CD ARG A 83 -15.576 -0.008 -1.595 1.00 1.24 C ATOM 1288 NE ARG A 83 -16.224 0.775 -0.544 1.00 1.43 N ATOM 1289 CZ ARG A 83 -16.418 0.342 0.701 1.00 1.34 C ATOM 1290 NH1 ARG A 83 -15.976 -0.854 1.075 1.00 52.33 N ATOM 1291 NH2 ARG A 83 -17.050 1.117 1.572 1.00 64.12 N ATOM 0 H ARG A 83 -11.171 1.234 0.014 1.00 64.12 H new ATOM 0 HA ARG A 83 -11.804 1.225 -2.766 1.00 31.54 H new ATOM 0 HB2 ARG A 83 -12.948 -0.021 -0.869 1.00 41.03 H new ATOM 0 HB3 ARG A 83 -13.656 1.506 -0.379 1.00 41.03 H new ATOM 0 HG2 ARG A 83 -14.761 1.707 -2.597 1.00 61.32 H new ATOM 0 HG3 ARG A 83 -14.049 0.184 -3.092 1.00 61.32 H new ATOM 0 HD2 ARG A 83 -16.308 -0.260 -2.363 1.00 1.24 H new ATOM 0 HD3 ARG A 83 -15.216 -0.948 -1.177 1.00 1.24 H new ATOM 0 HE ARG A 83 -16.548 1.713 -0.779 1.00 1.43 H new ATOM 0 HH11 ARG A 83 -15.484 -1.448 0.407 1.00 52.33 H new ATOM 0 HH12 ARG A 83 -16.128 -1.178 2.030 1.00 52.33 H new ATOM 0 HH21 ARG A 83 -17.384 2.038 1.287 1.00 64.12 H new ATOM 0 HH22 ARG A 83 -17.202 0.792 2.527 1.00 64.12 H new ATOM 1305 N LEU A 84 -11.954 4.035 -1.215 1.00 12.32 N ATOM 1306 CA LEU A 84 -12.151 5.468 -1.372 1.00 1.30 C ATOM 1307 C LEU A 84 -10.828 6.133 -1.727 1.00 33.34 C ATOM 1308 O LEU A 84 -10.406 7.102 -1.096 1.00 44.13 O ATOM 1309 CB LEU A 84 -12.710 6.071 -0.088 1.00 11.41 C ATOM 1310 CG LEU A 84 -14.026 5.461 0.405 1.00 3.32 C ATOM 1311 CD1 LEU A 84 -14.500 6.163 1.667 1.00 23.43 C ATOM 1312 CD2 LEU A 84 -15.092 5.534 -0.681 1.00 14.00 C ATOM 0 H LEU A 84 -11.423 3.774 -0.384 1.00 12.32 H new ATOM 0 HA LEU A 84 -12.866 5.639 -2.176 1.00 1.30 H new ATOM 0 HB2 LEU A 84 -11.963 5.965 0.699 1.00 11.41 H new ATOM 0 HB3 LEU A 84 -12.860 7.139 -0.243 1.00 11.41 H new ATOM 0 HG LEU A 84 -13.850 4.412 0.641 1.00 3.32 H new ATOM 0 HD11 LEU A 84 -15.436 5.716 2.002 1.00 23.43 H new ATOM 0 HD12 LEU A 84 -13.747 6.056 2.448 1.00 23.43 H new ATOM 0 HD13 LEU A 84 -14.658 7.221 1.457 1.00 23.43 H new ATOM 0 HD21 LEU A 84 -16.019 5.096 -0.311 1.00 14.00 H new ATOM 0 HD22 LEU A 84 -15.266 6.576 -0.951 1.00 14.00 H new ATOM 0 HD23 LEU A 84 -14.755 4.983 -1.559 1.00 14.00 H new ATOM 1324 N GLU A 85 -10.183 5.597 -2.744 1.00 33.22 N ATOM 1325 CA GLU A 85 -8.861 6.047 -3.163 1.00 10.30 C ATOM 1326 C GLU A 85 -8.941 7.256 -4.095 1.00 13.12 C ATOM 1327 O GLU A 85 -9.987 7.891 -4.232 1.00 42.42 O ATOM 1328 CB GLU A 85 -8.145 4.905 -3.875 1.00 31.45 C ATOM 1329 CG GLU A 85 -8.863 4.449 -5.130 1.00 50.04 C ATOM 1330 CD GLU A 85 -8.145 3.327 -5.837 1.00 11.43 C ATOM 1331 OE1 GLU A 85 -6.999 3.544 -6.278 1.00 21.43 O ATOM 1332 OE2 GLU A 85 -8.734 2.236 -5.965 1.00 30.24 O ATOM 0 H GLU A 85 -10.558 4.834 -3.308 1.00 33.22 H new ATOM 0 HA GLU A 85 -8.309 6.348 -2.273 1.00 10.30 H new ATOM 0 HB2 GLU A 85 -7.135 5.222 -4.135 1.00 31.45 H new ATOM 0 HB3 GLU A 85 -8.048 4.062 -3.191 1.00 31.45 H new ATOM 0 HG2 GLU A 85 -9.870 4.123 -4.869 1.00 50.04 H new ATOM 0 HG3 GLU A 85 -8.968 5.294 -5.811 1.00 50.04 H new ATOM 1339 N HIS A 86 -7.816 7.561 -4.739 1.00 64.12 N ATOM 1340 CA HIS A 86 -7.742 8.668 -5.687 1.00 4.44 C ATOM 1341 C HIS A 86 -7.340 8.166 -7.072 1.00 42.22 C ATOM 1342 O HIS A 86 -7.128 8.956 -7.993 1.00 63.35 O ATOM 1343 CB HIS A 86 -6.734 9.724 -5.214 1.00 25.33 C ATOM 1344 CG HIS A 86 -7.167 10.491 -4.004 1.00 12.02 C ATOM 1345 ND1 HIS A 86 -6.610 10.311 -2.758 1.00 32.15 N ATOM 1346 CD2 HIS A 86 -8.093 11.468 -3.860 1.00 62.23 C ATOM 1347 CE1 HIS A 86 -7.178 11.138 -1.900 1.00 45.03 C ATOM 1348 NE2 HIS A 86 -8.081 11.854 -2.541 1.00 32.20 N ATOM 0 H HIS A 86 -6.939 7.053 -4.620 1.00 64.12 H new ATOM 0 HA HIS A 86 -8.731 9.122 -5.745 1.00 4.44 H new ATOM 0 HB2 HIS A 86 -5.785 9.233 -4.998 1.00 25.33 H new ATOM 0 HB3 HIS A 86 -6.551 10.425 -6.028 1.00 25.33 H new ATOM 0 HD2 HIS A 86 -8.725 11.870 -4.638 1.00 62.23 H new ATOM 0 HE1 HIS A 86 -6.943 11.215 -0.849 1.00 45.03 H new ATOM 0 HE2 HIS A 86 -8.672 12.575 -2.127 1.00 32.20 H new ATOM 1357 N HIS A 87 -7.249 6.851 -7.222 1.00 33.30 N ATOM 1358 CA HIS A 87 -6.801 6.249 -8.475 1.00 42.10 C ATOM 1359 C HIS A 87 -7.756 5.152 -8.925 1.00 12.34 C ATOM 1360 O HIS A 87 -8.826 4.981 -8.337 1.00 2.31 O ATOM 1361 CB HIS A 87 -5.392 5.668 -8.312 1.00 10.41 C ATOM 1362 CG HIS A 87 -4.331 6.454 -9.018 1.00 35.50 C ATOM 1363 ND1 HIS A 87 -3.425 5.884 -9.886 1.00 43.32 N ATOM 1364 CD2 HIS A 87 -4.028 7.772 -8.975 1.00 13.51 C ATOM 1365 CE1 HIS A 87 -2.611 6.816 -10.345 1.00 23.40 C ATOM 1366 NE2 HIS A 87 -2.958 7.972 -9.810 1.00 40.21 N ATOM 0 H HIS A 87 -7.480 6.178 -6.491 1.00 33.30 H new ATOM 0 HA HIS A 87 -6.784 7.030 -9.235 1.00 42.10 H new ATOM 0 HB2 HIS A 87 -5.149 5.619 -7.250 1.00 10.41 H new ATOM 0 HB3 HIS A 87 -5.385 4.645 -8.688 1.00 10.41 H new ATOM 0 HD2 HIS A 87 -4.535 8.527 -8.392 1.00 13.51 H new ATOM 0 HE1 HIS A 87 -1.799 6.660 -11.040 1.00 23.40 H new ATOM 0 HE2 HIS A 87 -2.504 8.868 -9.988 1.00 40.21 H new ATOM 1375 N HIS A 88 -7.367 4.443 -9.991 1.00 44.41 N ATOM 1376 CA HIS A 88 -8.084 3.261 -10.491 1.00 42.14 C ATOM 1377 C HIS A 88 -9.406 3.632 -11.155 1.00 31.02 C ATOM 1378 O HIS A 88 -9.624 3.332 -12.329 1.00 73.53 O ATOM 1379 CB HIS A 88 -8.348 2.236 -9.376 1.00 23.22 C ATOM 1380 CG HIS A 88 -7.112 1.617 -8.795 1.00 13.41 C ATOM 1381 ND1 HIS A 88 -5.811 1.973 -8.884 1.00 13.13 N flip ATOM 1382 CD2 HIS A 88 -7.142 0.499 -7.993 1.00 2.13 C flip ATOM 1383 CE1 HIS A 88 -5.087 1.077 -8.141 1.00 2.42 C flip ATOM 1384 NE2 HIS A 88 -5.917 0.197 -7.614 1.00 24.10 N flip ATOM 0 H HIS A 88 -6.537 4.675 -10.537 1.00 44.41 H new ATOM 0 HA HIS A 88 -7.431 2.810 -11.238 1.00 42.14 H new ATOM 0 HB2 HIS A 88 -8.905 2.724 -8.576 1.00 23.22 H new ATOM 0 HB3 HIS A 88 -8.984 1.444 -9.771 1.00 23.22 H new ATOM 0 HD2 HIS A 88 -8.032 -0.047 -7.717 1.00 2.13 H new ATOM 0 HE1 HIS A 88 -4.015 1.089 -8.009 1.00 2.42 H new ATOM 0 HE2 HIS A 88 -5.654 -0.585 -7.014 1.00 24.10 H new ATOM 1393 N HIS A 89 -10.288 4.263 -10.383 1.00 53.35 N ATOM 1394 CA HIS A 89 -11.647 4.606 -10.811 1.00 74.13 C ATOM 1395 C HIS A 89 -12.515 3.350 -10.880 1.00 40.25 C ATOM 1396 O HIS A 89 -13.649 3.344 -10.402 1.00 12.05 O ATOM 1397 CB HIS A 89 -11.649 5.345 -12.155 1.00 5.13 C ATOM 1398 CG HIS A 89 -12.914 6.100 -12.416 1.00 31.31 C ATOM 1399 ND1 HIS A 89 -13.901 5.660 -13.270 1.00 2.53 N ATOM 1400 CD2 HIS A 89 -13.350 7.283 -11.920 1.00 54.44 C ATOM 1401 CE1 HIS A 89 -14.887 6.538 -13.289 1.00 24.43 C ATOM 1402 NE2 HIS A 89 -14.577 7.530 -12.478 1.00 30.13 N ATOM 0 H HIS A 89 -10.078 4.556 -9.429 1.00 53.35 H new ATOM 0 HA HIS A 89 -12.069 5.283 -10.069 1.00 74.13 H new ATOM 0 HB2 HIS A 89 -10.809 6.039 -12.181 1.00 5.13 H new ATOM 0 HB3 HIS A 89 -11.492 4.624 -12.958 1.00 5.13 H new ATOM 0 HD2 HIS A 89 -12.828 7.914 -11.216 1.00 54.44 H new ATOM 0 HE1 HIS A 89 -15.794 6.457 -13.870 1.00 24.43 H new ATOM 0 HE2 HIS A 89 -15.157 8.349 -12.295 1.00 30.13 H new ATOM 1411 N HIS A 90 -11.973 2.293 -11.476 1.00 20.33 N ATOM 1412 CA HIS A 90 -12.615 0.984 -11.468 1.00 45.02 C ATOM 1413 C HIS A 90 -12.297 0.284 -10.156 1.00 5.14 C ATOM 1414 O HIS A 90 -11.150 0.305 -9.708 1.00 31.23 O ATOM 1415 CB HIS A 90 -12.110 0.107 -12.621 1.00 34.13 C ATOM 1416 CG HIS A 90 -12.346 0.660 -13.994 1.00 20.24 C ATOM 1417 ND1 HIS A 90 -11.358 1.268 -14.738 1.00 3.03 N ATOM 1418 CD2 HIS A 90 -13.453 0.664 -14.770 1.00 11.54 C ATOM 1419 CE1 HIS A 90 -11.847 1.623 -15.910 1.00 64.14 C ATOM 1420 NE2 HIS A 90 -13.115 1.267 -15.956 1.00 54.52 N ATOM 0 H HIS A 90 -11.083 2.319 -11.974 1.00 20.33 H new ATOM 0 HA HIS A 90 -13.689 1.131 -11.584 1.00 45.02 H new ATOM 0 HB2 HIS A 90 -11.040 -0.055 -12.491 1.00 34.13 H new ATOM 0 HB3 HIS A 90 -12.591 -0.869 -12.552 1.00 34.13 H new ATOM 0 HD2 HIS A 90 -14.422 0.267 -14.506 1.00 11.54 H new ATOM 0 HE1 HIS A 90 -11.301 2.121 -16.698 1.00 64.14 H new ATOM 0 HE2 HIS A 90 -13.744 1.416 -16.745 1.00 54.52 H new ATOM 1429 N HIS A 91 -13.295 -0.317 -9.534 1.00 52.22 N ATOM 1430 CA HIS A 91 -13.070 -1.058 -8.303 1.00 45.24 C ATOM 1431 C HIS A 91 -13.554 -2.489 -8.438 1.00 44.13 C ATOM 1432 O HIS A 91 -12.741 -3.342 -8.846 1.00 35.62 O ATOM 1433 CB HIS A 91 -13.733 -0.365 -7.112 1.00 72.20 C ATOM 1434 CG HIS A 91 -12.925 0.782 -6.598 1.00 13.41 C ATOM 1435 ND1 HIS A 91 -13.421 2.057 -6.434 1.00 23.23 N ATOM 1436 CD2 HIS A 91 -11.625 0.836 -6.237 1.00 34.23 C ATOM 1437 CE1 HIS A 91 -12.453 2.844 -5.999 1.00 42.53 C ATOM 1438 NE2 HIS A 91 -11.353 2.123 -5.871 1.00 43.43 N ATOM 1439 OXT HIS A 91 -14.735 -2.754 -8.146 1.00 35.62 O ATOM 0 H HIS A 91 -14.263 -0.308 -9.857 1.00 52.22 H new ATOM 0 HA HIS A 91 -11.996 -1.081 -8.118 1.00 45.24 H new ATOM 0 HB2 HIS A 91 -14.720 -0.008 -7.406 1.00 72.20 H new ATOM 0 HB3 HIS A 91 -13.882 -1.089 -6.311 1.00 72.20 H new ATOM 0 HD2 HIS A 91 -10.927 0.011 -6.238 1.00 34.23 H new ATOM 0 HE1 HIS A 91 -12.545 3.898 -5.784 1.00 42.53 H new ATOM 0 HE2 HIS A 91 -10.449 2.471 -5.551 1.00 43.43 H new TER 1448 HIS A 91