USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 804 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 1 GLY N :NH3+ -111:sc= 0.0775 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 57:sc= 0.63 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 49:sc= 0.033 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 31 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.4!) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0337 USER MOD Single : A 55 SER OG : rot 66:sc= 0.77 USER MOD Single : A 66 SER OG : rot 180:sc= -1.34 USER MOD Single : A 68 ASN :FLIP amide:sc= -1.15 F(o=-2.9,f=-1.1) USER MOD Single : A 71 ASN : amide:sc= -1.53 K(o=-1.5,f=-6.7!) USER MOD Single : A 74 ASN : amide:sc= -0.0308 X(o=-0.031,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.208 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.839 F(o=-1.6!,f=-0.84) USER MOD Single : A 79 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.2!) USER MOD Single : A 85 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0212) USER MOD Single : A 89 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.2!) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -1.68 K(o=-1.7,f=-5!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -28:sc= -0.866 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.868 1.577 -42.725 1.00 0.00 N ATOM 2 CA GLY A 1 -10.893 2.702 -41.806 1.00 0.00 C ATOM 3 C GLY A 1 -9.608 2.762 -40.978 1.00 0.00 C ATOM 4 O GLY A 1 -8.908 1.761 -40.836 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.794 1.928 -43.701 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.049 0.972 -42.511 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.743 1.024 -42.621 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.013 3.630 -42.365 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.754 2.615 -41.143 1.00 0.00 H new ATOM 8 N SER A 2 -9.336 3.948 -40.453 1.00 0.00 N ATOM 9 CA SER A 2 -8.147 4.153 -39.642 1.00 0.00 C ATOM 10 C SER A 2 -8.126 5.581 -39.096 1.00 0.00 C ATOM 11 O SER A 2 -8.636 6.501 -39.733 1.00 0.00 O ATOM 12 CB SER A 2 -6.877 3.873 -40.448 1.00 0.00 C ATOM 13 OG SER A 2 -5.712 4.376 -39.799 1.00 0.00 O ATOM 0 H SER A 2 -9.918 4.777 -40.573 1.00 0.00 H new ATOM 0 HA SER A 2 -8.177 3.453 -38.807 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.773 2.799 -40.599 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.967 4.326 -41.435 1.00 0.00 H new ATOM 0 HG SER A 2 -4.922 4.176 -40.344 1.00 0.00 H new ATOM 19 N SER A 3 -7.529 5.723 -37.921 1.00 0.00 N ATOM 20 CA SER A 3 -7.435 7.024 -37.282 1.00 0.00 C ATOM 21 C SER A 3 -6.706 6.897 -35.943 1.00 0.00 C ATOM 22 O SER A 3 -6.461 5.789 -35.467 1.00 0.00 O ATOM 23 CB SER A 3 -8.821 7.638 -37.075 1.00 0.00 C ATOM 24 OG SER A 3 -9.113 8.636 -38.050 1.00 0.00 O ATOM 0 H SER A 3 -7.106 4.958 -37.395 1.00 0.00 H new ATOM 0 HA SER A 3 -6.868 7.686 -37.936 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.576 6.853 -37.122 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.878 8.076 -36.079 1.00 0.00 H new ATOM 0 HG SER A 3 -9.032 8.250 -38.947 1.00 0.00 H new ATOM 30 N GLY A 4 -6.378 8.047 -35.372 1.00 0.00 N ATOM 31 CA GLY A 4 -5.682 8.079 -34.097 1.00 0.00 C ATOM 32 C GLY A 4 -5.672 9.493 -33.513 1.00 0.00 C ATOM 33 O GLY A 4 -5.892 10.467 -34.231 1.00 0.00 O ATOM 0 H GLY A 4 -6.582 8.964 -35.769 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.165 7.396 -33.398 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.658 7.729 -34.229 1.00 0.00 H new ATOM 37 N SER A 5 -5.416 9.560 -32.215 1.00 0.00 N ATOM 38 CA SER A 5 -5.375 10.839 -31.525 1.00 0.00 C ATOM 39 C SER A 5 -4.703 10.676 -30.161 1.00 0.00 C ATOM 40 O SER A 5 -4.870 9.652 -29.500 1.00 0.00 O ATOM 41 CB SER A 5 -6.781 11.420 -31.358 1.00 0.00 C ATOM 42 OG SER A 5 -6.970 12.594 -32.143 1.00 0.00 O ATOM 0 H SER A 5 -5.235 8.750 -31.623 1.00 0.00 H new ATOM 0 HA SER A 5 -4.793 11.535 -32.129 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.519 10.670 -31.643 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.954 11.654 -30.308 1.00 0.00 H new ATOM 0 HG SER A 5 -7.880 12.933 -32.010 1.00 0.00 H new ATOM 48 N SER A 6 -3.956 11.702 -29.779 1.00 0.00 N ATOM 49 CA SER A 6 -3.257 11.686 -28.505 1.00 0.00 C ATOM 50 C SER A 6 -3.686 12.885 -27.658 1.00 0.00 C ATOM 51 O SER A 6 -4.367 13.785 -28.148 1.00 0.00 O ATOM 52 CB SER A 6 -1.741 11.694 -28.708 1.00 0.00 C ATOM 53 OG SER A 6 -1.073 10.843 -27.781 1.00 0.00 O ATOM 0 H SER A 6 -3.820 12.550 -30.330 1.00 0.00 H new ATOM 0 HA SER A 6 -3.521 10.767 -27.982 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.510 11.375 -29.724 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.366 12.712 -28.600 1.00 0.00 H new ATOM 0 HG SER A 6 -0.107 10.875 -27.945 1.00 0.00 H new ATOM 59 N GLY A 7 -3.269 12.860 -26.400 1.00 0.00 N ATOM 60 CA GLY A 7 -3.602 13.934 -25.480 1.00 0.00 C ATOM 61 C GLY A 7 -3.893 13.388 -24.081 1.00 0.00 C ATOM 62 O GLY A 7 -3.201 13.725 -23.122 1.00 0.00 O ATOM 0 H GLY A 7 -2.704 12.113 -25.997 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.777 14.645 -25.432 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.471 14.478 -25.850 1.00 0.00 H new ATOM 66 N ARG A 8 -4.919 12.552 -24.009 1.00 0.00 N ATOM 67 CA ARG A 8 -5.311 11.956 -22.743 1.00 0.00 C ATOM 68 C ARG A 8 -5.733 13.042 -21.752 1.00 0.00 C ATOM 69 O ARG A 8 -5.336 14.199 -21.887 1.00 0.00 O ATOM 70 CB ARG A 8 -4.165 11.142 -22.140 1.00 0.00 C ATOM 71 CG ARG A 8 -4.067 9.763 -22.794 1.00 0.00 C ATOM 72 CD ARG A 8 -5.266 8.890 -22.417 1.00 0.00 C ATOM 73 NE ARG A 8 -4.892 7.959 -21.329 1.00 0.00 N ATOM 74 CZ ARG A 8 -5.735 7.082 -20.768 1.00 0.00 C ATOM 75 NH1 ARG A 8 -7.006 7.011 -21.188 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.308 6.275 -19.787 1.00 0.00 N ATOM 0 H ARG A 8 -5.490 12.274 -24.807 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.152 11.290 -22.936 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.225 11.678 -22.272 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.320 11.029 -21.067 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.019 9.873 -23.877 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.144 9.274 -22.482 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.098 9.518 -22.099 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.605 8.328 -23.287 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.932 7.987 -20.985 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.331 7.625 -21.935 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.648 6.343 -20.761 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.341 6.328 -19.467 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.950 5.607 -19.360 1.00 0.00 H new ATOM 90 N PRO A 9 -6.554 12.621 -20.753 1.00 0.00 N ATOM 91 CA PRO A 9 -7.034 13.545 -19.739 1.00 0.00 C ATOM 92 C PRO A 9 -5.928 13.882 -18.737 1.00 0.00 C ATOM 93 O PRO A 9 -5.198 12.999 -18.292 1.00 0.00 O ATOM 94 CB PRO A 9 -8.222 12.845 -19.100 1.00 0.00 C ATOM 95 CG PRO A 9 -8.079 11.374 -19.454 1.00 0.00 C ATOM 96 CD PRO A 9 -7.044 11.259 -20.561 1.00 0.00 C ATOM 0 HA PRO A 9 -7.332 14.508 -20.154 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.225 12.988 -18.019 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.162 13.248 -19.477 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.769 10.800 -18.581 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.035 10.966 -19.781 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.236 10.584 -20.279 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.485 10.864 -21.476 1.00 0.00 H new ATOM 104 N GLY A 10 -5.841 15.163 -18.410 1.00 0.00 N ATOM 105 CA GLY A 10 -4.837 15.629 -17.468 1.00 0.00 C ATOM 106 C GLY A 10 -5.476 16.020 -16.134 1.00 0.00 C ATOM 107 O GLY A 10 -6.383 16.850 -16.096 1.00 0.00 O ATOM 0 H GLY A 10 -6.449 15.893 -18.781 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.096 14.847 -17.305 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.309 16.486 -17.887 1.00 0.00 H new ATOM 111 N GLY A 11 -4.977 15.404 -15.072 1.00 0.00 N ATOM 112 CA GLY A 11 -5.488 15.677 -13.740 1.00 0.00 C ATOM 113 C GLY A 11 -4.358 16.081 -12.792 1.00 0.00 C ATOM 114 O GLY A 11 -3.193 16.110 -13.185 1.00 0.00 O ATOM 0 H GLY A 11 -4.224 14.717 -15.107 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.230 16.474 -13.788 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.994 14.793 -13.352 1.00 0.00 H new ATOM 118 N ASP A 12 -4.741 16.383 -11.560 1.00 0.00 N ATOM 119 CA ASP A 12 -3.774 16.784 -10.552 1.00 0.00 C ATOM 120 C ASP A 12 -3.339 15.555 -9.752 1.00 0.00 C ATOM 121 O ASP A 12 -2.901 15.677 -8.609 1.00 0.00 O ATOM 122 CB ASP A 12 -4.382 17.793 -9.576 1.00 0.00 C ATOM 123 CG ASP A 12 -3.951 19.244 -9.793 1.00 0.00 C ATOM 124 OD1 ASP A 12 -2.754 19.441 -10.098 1.00 0.00 O ATOM 125 OD2 ASP A 12 -4.826 20.124 -9.649 1.00 0.00 O ATOM 0 H ASP A 12 -5.708 16.358 -11.237 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.926 17.241 -11.061 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.468 17.738 -9.650 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.116 17.499 -8.561 1.00 0.00 H new ATOM 130 N ALA A 13 -3.473 14.398 -10.384 1.00 0.00 N ATOM 131 CA ALA A 13 -3.099 13.148 -9.745 1.00 0.00 C ATOM 132 C ALA A 13 -4.023 12.893 -8.552 1.00 0.00 C ATOM 133 O ALA A 13 -3.739 13.328 -7.438 1.00 0.00 O ATOM 134 CB ALA A 13 -1.625 13.204 -9.339 1.00 0.00 C ATOM 0 H ALA A 13 -3.836 14.300 -11.332 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.216 12.313 -10.436 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.344 12.266 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.009 13.357 -10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.470 14.028 -8.643 1.00 0.00 H new ATOM 140 N ARG A 14 -5.112 12.190 -8.828 1.00 0.00 N ATOM 141 CA ARG A 14 -6.080 11.871 -7.792 1.00 0.00 C ATOM 142 C ARG A 14 -6.328 10.362 -7.743 1.00 0.00 C ATOM 143 O ARG A 14 -6.105 9.727 -6.714 1.00 0.00 O ATOM 144 CB ARG A 14 -7.407 12.592 -8.038 1.00 0.00 C ATOM 145 CG ARG A 14 -7.212 14.109 -8.054 1.00 0.00 C ATOM 146 CD ARG A 14 -6.683 14.580 -9.410 1.00 0.00 C ATOM 147 NE ARG A 14 -7.514 15.695 -9.918 1.00 0.00 N ATOM 148 CZ ARG A 14 -7.707 16.847 -9.263 1.00 0.00 C ATOM 149 NH1 ARG A 14 -7.129 17.044 -8.070 1.00 0.00 N ATOM 150 NH2 ARG A 14 -8.477 17.803 -9.800 1.00 0.00 N ATOM 0 H ARG A 14 -5.345 11.832 -9.754 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.669 12.205 -6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.831 12.266 -8.988 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.121 12.322 -7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.159 14.603 -7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.515 14.398 -7.267 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.646 14.903 -9.313 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.694 13.754 -10.121 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.968 15.578 -10.824 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.542 16.317 -7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.276 17.921 -7.571 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.917 17.654 -10.708 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.624 18.680 -9.301 1.00 0.00 H new ATOM 164 N GLU A 15 -6.786 9.833 -8.868 1.00 0.00 N ATOM 165 CA GLU A 15 -7.066 8.411 -8.966 1.00 0.00 C ATOM 166 C GLU A 15 -5.858 7.598 -8.498 1.00 0.00 C ATOM 167 O GLU A 15 -4.800 8.158 -8.215 1.00 0.00 O ATOM 168 CB GLU A 15 -7.465 8.028 -10.393 1.00 0.00 C ATOM 169 CG GLU A 15 -8.941 7.629 -10.461 1.00 0.00 C ATOM 170 CD GLU A 15 -9.231 6.819 -11.726 1.00 0.00 C ATOM 171 OE1 GLU A 15 -8.772 7.261 -12.801 1.00 0.00 O ATOM 172 OE2 GLU A 15 -9.906 5.775 -11.589 1.00 0.00 O ATOM 0 H GLU A 15 -6.970 10.364 -9.719 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.908 8.181 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.280 8.867 -11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.845 7.201 -10.738 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.204 7.042 -9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.564 8.523 -10.446 1.00 0.00 H new ATOM 179 N PRO A 16 -6.061 6.255 -8.428 1.00 0.00 N ATOM 180 CA PRO A 16 -5.001 5.359 -7.999 1.00 0.00 C ATOM 181 C PRO A 16 -3.955 5.179 -9.101 1.00 0.00 C ATOM 182 O PRO A 16 -4.286 4.780 -10.217 1.00 0.00 O ATOM 183 CB PRO A 16 -5.705 4.063 -7.631 1.00 0.00 C ATOM 184 CG PRO A 16 -7.067 4.124 -8.304 1.00 0.00 C ATOM 185 CD PRO A 16 -7.301 5.556 -8.755 1.00 0.00 C ATOM 0 HA PRO A 16 -4.441 5.748 -7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.137 3.199 -7.975 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.807 3.967 -6.550 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.102 3.445 -9.156 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.849 3.809 -7.613 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.513 5.605 -9.823 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.153 5.999 -8.240 1.00 0.00 H new ATOM 193 N ARG A 17 -2.714 5.481 -8.750 1.00 0.00 N ATOM 194 CA ARG A 17 -1.618 5.358 -9.696 1.00 0.00 C ATOM 195 C ARG A 17 -0.926 4.002 -9.534 1.00 0.00 C ATOM 196 O ARG A 17 -1.258 3.237 -8.629 1.00 0.00 O ATOM 197 CB ARG A 17 -0.590 6.474 -9.497 1.00 0.00 C ATOM 198 CG ARG A 17 -0.293 6.687 -8.012 1.00 0.00 C ATOM 199 CD ARG A 17 1.207 6.876 -7.774 1.00 0.00 C ATOM 200 NE ARG A 17 1.739 7.906 -8.695 1.00 0.00 N ATOM 201 CZ ARG A 17 1.521 9.221 -8.558 1.00 0.00 C ATOM 202 NH1 ARG A 17 0.780 9.675 -7.538 1.00 0.00 N ATOM 203 NH2 ARG A 17 2.043 10.082 -9.442 1.00 0.00 N ATOM 0 H ARG A 17 -2.443 5.811 -7.824 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.036 5.439 -10.699 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.331 6.223 -10.023 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.964 7.400 -9.933 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.835 7.561 -7.651 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.651 5.831 -7.440 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.385 7.173 -6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.730 5.932 -7.929 1.00 0.00 H new ATOM 0 HE ARG A 17 2.307 7.595 -9.483 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.382 9.020 -6.866 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.614 10.676 -7.434 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.606 9.736 -10.219 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.877 11.083 -9.338 1.00 0.00 H new ATOM 217 N LYS A 18 0.021 3.747 -10.424 1.00 0.00 N ATOM 218 CA LYS A 18 0.762 2.497 -10.390 1.00 0.00 C ATOM 219 C LYS A 18 2.168 2.757 -9.845 1.00 0.00 C ATOM 220 O LYS A 18 2.851 3.677 -10.293 1.00 0.00 O ATOM 221 CB LYS A 18 0.750 1.830 -11.767 1.00 0.00 C ATOM 222 CG LYS A 18 1.930 0.869 -11.921 1.00 0.00 C ATOM 223 CD LYS A 18 1.807 0.051 -13.208 1.00 0.00 C ATOM 224 CE LYS A 18 0.694 -0.991 -13.092 1.00 0.00 C ATOM 225 NZ LYS A 18 -0.306 -0.804 -14.167 1.00 0.00 N ATOM 0 H LYS A 18 0.293 4.384 -11.173 1.00 0.00 H new ATOM 0 HA LYS A 18 0.284 1.789 -9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.186 1.288 -11.904 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.793 2.592 -12.545 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.863 1.432 -11.932 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.972 0.199 -11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.601 0.716 -14.047 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.754 -0.446 -13.419 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.118 -1.993 -13.153 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.210 -0.908 -12.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.055 -1.520 -14.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.724 0.146 -14.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.156 -0.906 -15.093 1.00 0.00 H new ATOM 239 N ILE A 19 2.558 1.930 -8.886 1.00 0.00 N ATOM 240 CA ILE A 19 3.870 2.059 -8.275 1.00 0.00 C ATOM 241 C ILE A 19 4.538 0.684 -8.216 1.00 0.00 C ATOM 242 O ILE A 19 3.895 -0.308 -7.873 1.00 0.00 O ATOM 243 CB ILE A 19 3.762 2.750 -6.914 1.00 0.00 C ATOM 244 CG1 ILE A 19 3.097 4.122 -7.047 1.00 0.00 C ATOM 245 CG2 ILE A 19 5.130 2.839 -6.235 1.00 0.00 C ATOM 246 CD1 ILE A 19 2.004 4.305 -5.992 1.00 0.00 C ATOM 0 H ILE A 19 1.989 1.168 -8.517 1.00 0.00 H new ATOM 0 HA ILE A 19 4.511 2.699 -8.881 1.00 0.00 H new ATOM 0 HB ILE A 19 3.123 2.144 -6.272 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.847 4.906 -6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.667 4.227 -8.043 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.026 3.334 -5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.529 1.835 -6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.812 3.411 -6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.547 5.288 -6.108 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.244 3.534 -6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.441 4.224 -4.997 1.00 0.00 H new ATOM 258 N ILE A 20 5.818 0.667 -8.555 1.00 0.00 N ATOM 259 CA ILE A 20 6.580 -0.570 -8.544 1.00 0.00 C ATOM 260 C ILE A 20 7.754 -0.433 -7.573 1.00 0.00 C ATOM 261 O ILE A 20 8.809 0.083 -7.939 1.00 0.00 O ATOM 262 CB ILE A 20 6.998 -0.954 -9.965 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.859 -1.667 -10.697 1.00 0.00 C ATOM 264 CG2 ILE A 20 8.281 -1.788 -9.952 1.00 0.00 C ATOM 265 CD1 ILE A 20 5.884 -1.346 -12.193 1.00 0.00 C ATOM 0 H ILE A 20 6.348 1.491 -8.839 1.00 0.00 H new ATOM 0 HA ILE A 20 5.964 -1.394 -8.184 1.00 0.00 H new ATOM 0 HB ILE A 20 7.214 -0.039 -10.517 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.945 -2.744 -10.551 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.902 -1.363 -10.272 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.556 -2.048 -10.974 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.085 -1.211 -9.495 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.117 -2.700 -9.378 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.065 -1.865 -12.690 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.773 -0.271 -12.336 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.832 -1.673 -12.619 1.00 0.00 H new ATOM 277 N LEU A 21 7.532 -0.904 -6.355 1.00 0.00 N ATOM 278 CA LEU A 21 8.559 -0.840 -5.329 1.00 0.00 C ATOM 279 C LEU A 21 9.429 -2.096 -5.406 1.00 0.00 C ATOM 280 O LEU A 21 8.916 -3.202 -5.564 1.00 0.00 O ATOM 281 CB LEU A 21 7.929 -0.611 -3.954 1.00 0.00 C ATOM 282 CG LEU A 21 7.112 0.673 -3.795 1.00 0.00 C ATOM 283 CD1 LEU A 21 7.774 1.839 -4.532 1.00 0.00 C ATOM 284 CD2 LEU A 21 5.664 0.460 -4.243 1.00 0.00 C ATOM 0 H LEU A 21 6.656 -1.332 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 21 9.215 0.014 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.283 -1.459 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.724 -0.607 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 21 7.087 0.933 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.173 2.739 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.771 2.007 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.850 1.603 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.105 1.388 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.648 0.163 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.207 -0.322 -3.637 1.00 0.00 H new ATOM 296 N HIS A 22 10.732 -1.883 -5.289 1.00 0.00 N ATOM 297 CA HIS A 22 11.678 -2.984 -5.344 1.00 0.00 C ATOM 298 C HIS A 22 12.143 -3.331 -3.928 1.00 0.00 C ATOM 299 O HIS A 22 12.975 -2.629 -3.355 1.00 0.00 O ATOM 300 CB HIS A 22 12.838 -2.657 -6.286 1.00 0.00 C ATOM 301 CG HIS A 22 12.483 -2.743 -7.751 1.00 0.00 C ATOM 302 ND1 HIS A 22 12.483 -1.641 -8.588 1.00 0.00 N ATOM 303 CD2 HIS A 22 12.117 -3.810 -8.518 1.00 0.00 C ATOM 304 CE1 HIS A 22 12.131 -2.038 -9.802 1.00 0.00 C ATOM 305 NE2 HIS A 22 11.904 -3.382 -9.757 1.00 0.00 N ATOM 0 H HIS A 22 11.154 -0.964 -5.156 1.00 0.00 H new ATOM 0 HA HIS A 22 11.191 -3.868 -5.756 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.197 -1.651 -6.068 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.662 -3.341 -6.082 1.00 0.00 H new ATOM 0 HD2 HIS A 22 12.017 -4.830 -8.176 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.040 -1.408 -10.674 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.618 -3.963 -10.545 1.00 0.00 H new ATOM 313 N LYS A 23 11.586 -4.413 -3.405 1.00 0.00 N ATOM 314 CA LYS A 23 11.933 -4.862 -2.067 1.00 0.00 C ATOM 315 C LYS A 23 13.441 -4.708 -1.858 1.00 0.00 C ATOM 316 O LYS A 23 14.232 -5.423 -2.472 1.00 0.00 O ATOM 317 CB LYS A 23 11.421 -6.283 -1.829 1.00 0.00 C ATOM 318 CG LYS A 23 10.074 -6.267 -1.103 1.00 0.00 C ATOM 319 CD LYS A 23 9.900 -7.520 -0.242 1.00 0.00 C ATOM 320 CE LYS A 23 9.262 -8.653 -1.048 1.00 0.00 C ATOM 321 NZ LYS A 23 9.629 -9.967 -0.474 1.00 0.00 N ATOM 0 H LYS A 23 10.896 -4.992 -3.884 1.00 0.00 H new ATOM 0 HA LYS A 23 11.442 -4.242 -1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.318 -6.801 -2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.149 -6.842 -1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.005 -5.378 -0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.265 -6.207 -1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.869 -7.841 0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.278 -7.288 0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.178 -8.540 -1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.590 -8.598 -2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.188 -10.725 -1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.663 -10.078 -0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.294 -10.022 0.509 1.00 0.00 H new ATOM 335 N GLY A 24 13.793 -3.772 -0.990 1.00 0.00 N ATOM 336 CA GLY A 24 15.192 -3.515 -0.692 1.00 0.00 C ATOM 337 C GLY A 24 15.768 -4.604 0.215 1.00 0.00 C ATOM 338 O GLY A 24 16.719 -5.290 -0.158 1.00 0.00 O ATOM 0 H GLY A 24 13.134 -3.182 -0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.763 -3.470 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.292 -2.543 -0.208 1.00 0.00 H new ATOM 342 N SER A 25 15.168 -4.729 1.390 1.00 0.00 N ATOM 343 CA SER A 25 15.609 -5.723 2.354 1.00 0.00 C ATOM 344 C SER A 25 14.538 -5.923 3.428 1.00 0.00 C ATOM 345 O SER A 25 14.151 -7.053 3.722 1.00 0.00 O ATOM 346 CB SER A 25 16.936 -5.316 2.997 1.00 0.00 C ATOM 347 OG SER A 25 18.023 -6.108 2.526 1.00 0.00 O ATOM 0 H SER A 25 14.380 -4.158 1.696 1.00 0.00 H new ATOM 0 HA SER A 25 15.765 -6.664 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.134 -4.265 2.785 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.859 -5.413 4.080 1.00 0.00 H new ATOM 0 HG SER A 25 17.997 -6.151 1.547 1.00 0.00 H new ATOM 353 N THR A 26 14.089 -4.807 3.984 1.00 0.00 N ATOM 354 CA THR A 26 13.070 -4.845 5.019 1.00 0.00 C ATOM 355 C THR A 26 11.699 -5.141 4.407 1.00 0.00 C ATOM 356 O THR A 26 10.964 -5.993 4.904 1.00 0.00 O ATOM 357 CB THR A 26 13.121 -3.520 5.782 1.00 0.00 C ATOM 358 OG1 THR A 26 12.865 -2.535 4.785 1.00 0.00 O ATOM 359 CG2 THR A 26 14.529 -3.187 6.282 1.00 0.00 C ATOM 0 H THR A 26 14.412 -3.872 3.737 1.00 0.00 H new ATOM 0 HA THR A 26 13.256 -5.652 5.728 1.00 0.00 H new ATOM 0 HB THR A 26 12.435 -3.562 6.628 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.878 -1.645 5.194 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.510 -2.237 6.817 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.873 -3.974 6.953 1.00 0.00 H new ATOM 0 HG23 THR A 26 15.208 -3.112 5.433 1.00 0.00 H new ATOM 367 N GLY A 27 11.396 -4.421 3.337 1.00 0.00 N ATOM 368 CA GLY A 27 10.127 -4.595 2.653 1.00 0.00 C ATOM 369 C GLY A 27 9.996 -3.619 1.482 1.00 0.00 C ATOM 370 O GLY A 27 10.925 -3.466 0.690 1.00 0.00 O ATOM 0 H GLY A 27 12.008 -3.716 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.044 -5.619 2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.307 -4.439 3.354 1.00 0.00 H new ATOM 374 N LEU A 28 8.836 -2.982 1.410 1.00 0.00 N ATOM 375 CA LEU A 28 8.573 -2.025 0.349 1.00 0.00 C ATOM 376 C LEU A 28 8.920 -0.618 0.840 1.00 0.00 C ATOM 377 O LEU A 28 8.923 0.333 0.060 1.00 0.00 O ATOM 378 CB LEU A 28 7.134 -2.163 -0.152 1.00 0.00 C ATOM 379 CG LEU A 28 6.858 -3.348 -1.081 1.00 0.00 C ATOM 380 CD1 LEU A 28 8.040 -3.594 -2.021 1.00 0.00 C ATOM 381 CD2 LEU A 28 6.492 -4.599 -0.280 1.00 0.00 C ATOM 0 H LEU A 28 8.068 -3.110 2.069 1.00 0.00 H new ATOM 0 HA LEU A 28 9.208 -2.228 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.475 -2.244 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.863 -1.246 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 28 5.998 -3.102 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.818 -4.441 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.212 -2.706 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.933 -3.811 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.301 -5.426 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.316 -4.860 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.598 -4.403 0.312 1.00 0.00 H new ATOM 393 N GLY A 29 9.204 -0.530 2.131 1.00 0.00 N ATOM 394 CA GLY A 29 9.552 0.745 2.736 1.00 0.00 C ATOM 395 C GLY A 29 8.301 1.587 2.997 1.00 0.00 C ATOM 396 O GLY A 29 8.280 2.781 2.702 1.00 0.00 O ATOM 0 H GLY A 29 9.200 -1.321 2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.082 0.574 3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.231 1.290 2.080 1.00 0.00 H new ATOM 400 N PHE A 30 7.290 0.932 3.549 1.00 0.00 N ATOM 401 CA PHE A 30 6.039 1.606 3.853 1.00 0.00 C ATOM 402 C PHE A 30 5.088 0.679 4.612 1.00 0.00 C ATOM 403 O PHE A 30 5.146 -0.540 4.455 1.00 0.00 O ATOM 404 CB PHE A 30 5.401 1.989 2.517 1.00 0.00 C ATOM 405 CG PHE A 30 4.669 0.838 1.824 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.519 0.345 2.357 1.00 0.00 C ATOM 407 CD2 PHE A 30 5.167 0.308 0.675 1.00 0.00 C ATOM 408 CE1 PHE A 30 2.839 -0.724 1.714 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.488 -0.760 0.032 1.00 0.00 C ATOM 410 CZ PHE A 30 3.338 -1.254 0.566 1.00 0.00 C ATOM 0 H PHE A 30 7.312 -0.058 3.794 1.00 0.00 H new ATOM 0 HA PHE A 30 6.229 2.479 4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.698 2.806 2.683 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.177 2.366 1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.123 0.766 3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.080 0.700 0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.926 -1.115 2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.884 -1.180 -0.881 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.822 -2.067 0.078 1.00 0.00 H new ATOM 420 N ASN A 31 4.234 1.291 5.419 1.00 0.00 N ATOM 421 CA ASN A 31 3.271 0.536 6.203 1.00 0.00 C ATOM 422 C ASN A 31 1.878 0.707 5.594 1.00 0.00 C ATOM 423 O ASN A 31 1.677 1.553 4.724 1.00 0.00 O ATOM 424 CB ASN A 31 3.222 1.038 7.647 1.00 0.00 C ATOM 425 CG ASN A 31 3.408 -0.115 8.635 1.00 0.00 C ATOM 426 OD1 ASN A 31 2.576 -0.998 8.763 1.00 0.00 O ATOM 427 ND2 ASN A 31 4.544 -0.057 9.325 1.00 0.00 N ATOM 0 H ASN A 31 4.189 2.302 5.547 1.00 0.00 H new ATOM 0 HA ASN A 31 3.576 -0.510 6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.001 1.784 7.803 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.267 1.530 7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.762 -0.780 10.011 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.197 0.711 9.168 1.00 0.00 H new ATOM 434 N ILE A 32 0.952 -0.109 6.076 1.00 0.00 N ATOM 435 CA ILE A 32 -0.416 -0.058 5.591 1.00 0.00 C ATOM 436 C ILE A 32 -1.376 -0.071 6.782 1.00 0.00 C ATOM 437 O ILE A 32 -1.018 -0.525 7.868 1.00 0.00 O ATOM 438 CB ILE A 32 -0.670 -1.182 4.584 1.00 0.00 C ATOM 439 CG1 ILE A 32 -0.012 -2.486 5.041 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.218 -0.773 3.181 1.00 0.00 C ATOM 441 CD1 ILE A 32 -0.864 -3.695 4.652 1.00 0.00 C ATOM 0 H ILE A 32 1.123 -0.809 6.798 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.593 0.871 5.049 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.744 -1.362 4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.978 -2.575 4.593 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.128 -2.468 6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.410 -1.589 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.771 0.111 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.849 -0.549 3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.374 -4.609 4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.845 -3.615 5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.982 -3.724 3.569 1.00 0.00 H new ATOM 453 N VAL A 33 -2.578 0.432 6.539 1.00 0.00 N ATOM 454 CA VAL A 33 -3.592 0.483 7.578 1.00 0.00 C ATOM 455 C VAL A 33 -4.951 0.121 6.976 1.00 0.00 C ATOM 456 O VAL A 33 -5.060 -0.111 5.773 1.00 0.00 O ATOM 457 CB VAL A 33 -3.583 1.857 8.250 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.153 2.309 8.556 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.313 2.892 7.393 1.00 0.00 C ATOM 0 H VAL A 33 -2.872 0.808 5.637 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.377 -0.247 8.358 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.117 1.770 9.196 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.175 3.289 9.033 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.679 1.590 9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.584 2.370 7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.292 3.860 7.894 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.821 2.974 6.424 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.348 2.581 7.249 1.00 0.00 H new ATOM 469 N GLY A 34 -5.955 0.084 7.841 1.00 0.00 N ATOM 470 CA GLY A 34 -7.302 -0.246 7.410 1.00 0.00 C ATOM 471 C GLY A 34 -7.676 -1.671 7.821 1.00 0.00 C ATOM 472 O GLY A 34 -7.109 -2.218 8.766 1.00 0.00 O ATOM 0 H GLY A 34 -5.862 0.277 8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.010 0.459 7.845 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.376 -0.145 6.327 1.00 0.00 H new ATOM 476 N GLY A 35 -8.628 -2.233 7.091 1.00 0.00 N ATOM 477 CA GLY A 35 -9.084 -3.585 7.368 1.00 0.00 C ATOM 478 C GLY A 35 -10.290 -3.575 8.308 1.00 0.00 C ATOM 479 O GLY A 35 -10.430 -4.457 9.154 1.00 0.00 O ATOM 0 H GLY A 35 -9.096 -1.777 6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.350 -4.081 6.435 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.274 -4.161 7.816 1.00 0.00 H new ATOM 483 N GLU A 36 -11.132 -2.567 8.129 1.00 0.00 N ATOM 484 CA GLU A 36 -12.322 -2.430 8.951 1.00 0.00 C ATOM 485 C GLU A 36 -13.556 -2.232 8.069 1.00 0.00 C ATOM 486 O GLU A 36 -13.652 -1.245 7.341 1.00 0.00 O ATOM 487 CB GLU A 36 -12.170 -1.280 9.948 1.00 0.00 C ATOM 488 CG GLU A 36 -10.960 -1.499 10.858 1.00 0.00 C ATOM 489 CD GLU A 36 -11.349 -1.355 12.331 1.00 0.00 C ATOM 490 OE1 GLU A 36 -11.276 -0.210 12.828 1.00 0.00 O ATOM 491 OE2 GLU A 36 -11.710 -2.393 12.927 1.00 0.00 O ATOM 0 H GLU A 36 -11.013 -1.837 7.426 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.452 -3.348 9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.058 -0.339 9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.073 -1.196 10.552 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.544 -2.491 10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.180 -0.778 10.612 1.00 0.00 H new ATOM 498 N ASP A 37 -14.470 -3.187 8.162 1.00 0.00 N ATOM 499 CA ASP A 37 -15.695 -3.129 7.382 1.00 0.00 C ATOM 500 C ASP A 37 -15.367 -2.667 5.961 1.00 0.00 C ATOM 501 O ASP A 37 -16.121 -1.898 5.365 1.00 0.00 O ATOM 502 CB ASP A 37 -16.687 -2.134 7.987 1.00 0.00 C ATOM 503 CG ASP A 37 -17.031 -2.376 9.458 1.00 0.00 C ATOM 504 OD1 ASP A 37 -17.259 -3.556 9.800 1.00 0.00 O ATOM 505 OD2 ASP A 37 -17.057 -1.376 10.206 1.00 0.00 O ATOM 0 H ASP A 37 -14.387 -4.005 8.765 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.141 -4.124 7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.277 -1.129 7.886 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.608 -2.163 7.405 1.00 0.00 H new ATOM 510 N GLY A 38 -14.242 -3.154 5.459 1.00 0.00 N ATOM 511 CA GLY A 38 -13.806 -2.799 4.119 1.00 0.00 C ATOM 512 C GLY A 38 -13.854 -1.285 3.909 1.00 0.00 C ATOM 513 O GLY A 38 -14.482 -0.804 2.967 1.00 0.00 O ATOM 0 H GLY A 38 -13.619 -3.791 5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.791 -3.160 3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.442 -3.292 3.384 1.00 0.00 H new ATOM 517 N GLU A 39 -13.181 -0.574 4.802 1.00 0.00 N ATOM 518 CA GLU A 39 -13.139 0.876 4.727 1.00 0.00 C ATOM 519 C GLU A 39 -12.096 1.325 3.702 1.00 0.00 C ATOM 520 O GLU A 39 -12.214 2.402 3.121 1.00 0.00 O ATOM 521 CB GLU A 39 -12.857 1.489 6.100 1.00 0.00 C ATOM 522 CG GLU A 39 -11.354 1.535 6.381 1.00 0.00 C ATOM 523 CD GLU A 39 -10.784 2.925 6.093 1.00 0.00 C ATOM 524 OE1 GLU A 39 -11.606 3.843 5.884 1.00 0.00 O ATOM 525 OE2 GLU A 39 -9.539 3.038 6.086 1.00 0.00 O ATOM 0 H GLU A 39 -12.660 -0.976 5.582 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.117 1.231 4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.270 2.497 6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.357 0.905 6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.167 1.270 7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.843 0.794 5.766 1.00 0.00 H new ATOM 532 N GLY A 40 -11.098 0.474 3.510 1.00 0.00 N ATOM 533 CA GLY A 40 -10.035 0.769 2.564 1.00 0.00 C ATOM 534 C GLY A 40 -8.665 0.713 3.244 1.00 0.00 C ATOM 535 O GLY A 40 -8.557 0.938 4.449 1.00 0.00 O ATOM 0 H GLY A 40 -11.003 -0.419 3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.066 0.054 1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.191 1.758 2.133 1.00 0.00 H new ATOM 539 N ILE A 41 -7.654 0.411 2.443 1.00 0.00 N ATOM 540 CA ILE A 41 -6.297 0.322 2.953 1.00 0.00 C ATOM 541 C ILE A 41 -5.545 1.611 2.617 1.00 0.00 C ATOM 542 O ILE A 41 -5.733 2.182 1.544 1.00 0.00 O ATOM 543 CB ILE A 41 -5.611 -0.943 2.431 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.518 -2.165 2.592 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.251 -1.146 3.103 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.467 -2.700 4.025 1.00 0.00 C ATOM 0 H ILE A 41 -7.748 0.225 1.445 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.303 0.230 4.039 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.428 -0.817 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.543 -1.898 2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.209 -2.946 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.785 -2.051 2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.610 -0.289 2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.388 -1.242 4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.120 -3.568 4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.445 -2.989 4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.800 -1.925 4.715 1.00 0.00 H new ATOM 558 N PHE A 42 -4.710 2.033 3.555 1.00 0.00 N ATOM 559 CA PHE A 42 -3.930 3.245 3.373 1.00 0.00 C ATOM 560 C PHE A 42 -2.541 3.103 4.000 1.00 0.00 C ATOM 561 O PHE A 42 -2.335 2.265 4.876 1.00 0.00 O ATOM 562 CB PHE A 42 -4.683 4.373 4.081 1.00 0.00 C ATOM 563 CG PHE A 42 -6.056 4.678 3.479 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.094 3.824 3.686 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.239 5.803 2.737 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.368 4.107 3.127 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.513 6.086 2.178 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.551 5.232 2.385 1.00 0.00 C ATOM 0 H PHE A 42 -4.557 1.557 4.444 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.800 3.447 2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.809 4.109 5.131 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.075 5.277 4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.949 2.931 4.275 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.415 6.481 2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.192 3.429 3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.658 6.979 1.589 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.520 5.447 1.960 1.00 0.00 H new ATOM 578 N VAL A 43 -1.625 3.935 3.527 1.00 0.00 N ATOM 579 CA VAL A 43 -0.263 3.913 4.030 1.00 0.00 C ATOM 580 C VAL A 43 -0.209 4.638 5.376 1.00 0.00 C ATOM 581 O VAL A 43 -0.741 5.738 5.514 1.00 0.00 O ATOM 582 CB VAL A 43 0.689 4.509 2.991 1.00 0.00 C ATOM 583 CG1 VAL A 43 2.043 4.846 3.618 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.857 3.567 1.797 1.00 0.00 C ATOM 0 H VAL A 43 -1.800 4.629 2.800 1.00 0.00 H new ATOM 0 HA VAL A 43 0.064 2.887 4.200 1.00 0.00 H new ATOM 0 HB VAL A 43 0.248 5.437 2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.701 5.268 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.902 5.571 4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.492 3.939 4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.538 4.015 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.264 2.615 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.112 3.399 1.327 1.00 0.00 H new ATOM 594 N SER A 44 0.440 3.993 6.335 1.00 0.00 N ATOM 595 CA SER A 44 0.570 4.563 7.665 1.00 0.00 C ATOM 596 C SER A 44 1.910 5.289 7.794 1.00 0.00 C ATOM 597 O SER A 44 2.041 6.222 8.585 1.00 0.00 O ATOM 598 CB SER A 44 0.446 3.483 8.742 1.00 0.00 C ATOM 599 OG SER A 44 1.655 3.322 9.478 1.00 0.00 O ATOM 0 H SER A 44 0.881 3.081 6.217 1.00 0.00 H new ATOM 0 HA SER A 44 -0.239 5.278 7.811 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.362 3.743 9.425 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.176 2.535 8.276 1.00 0.00 H new ATOM 0 HG SER A 44 1.535 2.625 10.157 1.00 0.00 H new ATOM 605 N PHE A 45 2.872 4.835 7.004 1.00 0.00 N ATOM 606 CA PHE A 45 4.197 5.430 7.020 1.00 0.00 C ATOM 607 C PHE A 45 5.026 4.954 5.825 1.00 0.00 C ATOM 608 O PHE A 45 4.704 3.942 5.204 1.00 0.00 O ATOM 609 CB PHE A 45 4.878 4.972 8.312 1.00 0.00 C ATOM 610 CG PHE A 45 6.382 5.247 8.354 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.840 6.472 8.727 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.262 4.265 8.018 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.236 6.726 8.766 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.658 4.520 8.056 1.00 0.00 C ATOM 615 CZ PHE A 45 9.116 5.745 8.430 1.00 0.00 C ATOM 0 H PHE A 45 2.760 4.062 6.348 1.00 0.00 H new ATOM 0 HA PHE A 45 4.118 6.516 6.964 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.404 5.471 9.157 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.711 3.902 8.439 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.142 7.252 8.994 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.899 3.292 7.722 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.600 7.699 9.063 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.357 3.741 7.788 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.178 5.939 8.460 1.00 0.00 H new ATOM 625 N ILE A 46 6.079 5.706 5.538 1.00 0.00 N ATOM 626 CA ILE A 46 6.956 5.374 4.429 1.00 0.00 C ATOM 627 C ILE A 46 8.411 5.447 4.896 1.00 0.00 C ATOM 628 O ILE A 46 8.885 6.508 5.301 1.00 0.00 O ATOM 629 CB ILE A 46 6.653 6.263 3.221 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.227 6.033 2.715 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.692 6.062 2.117 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.210 5.028 1.562 1.00 0.00 C ATOM 0 H ILE A 46 6.344 6.544 6.055 1.00 0.00 H new ATOM 0 HA ILE A 46 6.778 4.352 4.096 1.00 0.00 H new ATOM 0 HB ILE A 46 6.719 7.304 3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.603 5.667 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.798 6.979 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.453 6.706 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.681 6.316 2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.684 5.021 1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.185 4.883 1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.816 5.408 0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.617 4.076 1.903 1.00 0.00 H new ATOM 644 N LEU A 47 9.080 4.306 4.824 1.00 0.00 N ATOM 645 CA LEU A 47 10.472 4.227 5.234 1.00 0.00 C ATOM 646 C LEU A 47 11.273 5.315 4.517 1.00 0.00 C ATOM 647 O LEU A 47 10.941 5.699 3.396 1.00 0.00 O ATOM 648 CB LEU A 47 11.017 2.815 5.012 1.00 0.00 C ATOM 649 CG LEU A 47 12.462 2.576 5.454 1.00 0.00 C ATOM 650 CD1 LEU A 47 12.512 1.964 6.856 1.00 0.00 C ATOM 651 CD2 LEU A 47 13.216 1.725 4.430 1.00 0.00 C ATOM 0 H LEU A 47 8.684 3.428 4.488 1.00 0.00 H new ATOM 0 HA LEU A 47 10.565 4.415 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.375 2.112 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.939 2.580 3.951 1.00 0.00 H new ATOM 0 HG LEU A 47 12.967 3.540 5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.550 1.804 7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.037 2.641 7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.984 1.010 6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.240 1.570 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.720 0.760 4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.226 2.237 3.468 1.00 0.00 H new ATOM 663 N ALA A 48 12.313 5.782 5.192 1.00 0.00 N ATOM 664 CA ALA A 48 13.165 6.818 4.633 1.00 0.00 C ATOM 665 C ALA A 48 14.306 6.167 3.849 1.00 0.00 C ATOM 666 O ALA A 48 15.160 5.499 4.430 1.00 0.00 O ATOM 667 CB ALA A 48 13.671 7.724 5.756 1.00 0.00 C ATOM 0 H ALA A 48 12.585 5.462 6.121 1.00 0.00 H new ATOM 0 HA ALA A 48 12.604 7.443 3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.310 8.501 5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.823 8.185 6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.242 7.132 6.472 1.00 0.00 H new ATOM 673 N GLY A 49 14.284 6.385 2.543 1.00 0.00 N ATOM 674 CA GLY A 49 15.307 5.827 1.674 1.00 0.00 C ATOM 675 C GLY A 49 14.814 4.547 0.997 1.00 0.00 C ATOM 676 O GLY A 49 15.475 4.017 0.106 1.00 0.00 O ATOM 0 H GLY A 49 13.574 6.940 2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.584 6.560 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.205 5.613 2.254 1.00 0.00 H new ATOM 680 N GLY A 50 13.655 4.087 1.446 1.00 0.00 N ATOM 681 CA GLY A 50 13.065 2.879 0.895 1.00 0.00 C ATOM 682 C GLY A 50 12.612 3.100 -0.550 1.00 0.00 C ATOM 683 O GLY A 50 12.807 4.179 -1.107 1.00 0.00 O ATOM 0 H GLY A 50 13.109 4.529 2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.790 2.066 0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.214 2.575 1.504 1.00 0.00 H new ATOM 687 N PRO A 51 12.001 2.032 -1.130 1.00 0.00 N ATOM 688 CA PRO A 51 11.519 2.099 -2.499 1.00 0.00 C ATOM 689 C PRO A 51 10.236 2.927 -2.589 1.00 0.00 C ATOM 690 O PRO A 51 9.998 3.604 -3.588 1.00 0.00 O ATOM 691 CB PRO A 51 11.323 0.651 -2.918 1.00 0.00 C ATOM 692 CG PRO A 51 11.256 -0.151 -1.628 1.00 0.00 C ATOM 693 CD PRO A 51 11.754 0.739 -0.500 1.00 0.00 C ATOM 0 HA PRO A 51 12.218 2.602 -3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.408 0.533 -3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.146 0.311 -3.547 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.234 -0.478 -1.434 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.869 -1.049 -1.705 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.014 0.821 0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.662 0.338 -0.050 1.00 0.00 H new ATOM 701 N ALA A 52 9.442 2.845 -1.532 1.00 0.00 N ATOM 702 CA ALA A 52 8.188 3.578 -1.479 1.00 0.00 C ATOM 703 C ALA A 52 8.482 5.073 -1.337 1.00 0.00 C ATOM 704 O ALA A 52 7.641 5.908 -1.666 1.00 0.00 O ATOM 705 CB ALA A 52 7.331 3.041 -0.331 1.00 0.00 C ATOM 0 H ALA A 52 9.642 2.282 -0.705 1.00 0.00 H new ATOM 0 HA ALA A 52 7.623 3.439 -2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.391 3.591 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.126 1.983 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.865 3.166 0.611 1.00 0.00 H new ATOM 711 N ASP A 53 9.678 5.364 -0.847 1.00 0.00 N ATOM 712 CA ASP A 53 10.093 6.743 -0.658 1.00 0.00 C ATOM 713 C ASP A 53 10.919 7.193 -1.865 1.00 0.00 C ATOM 714 O ASP A 53 10.585 8.182 -2.516 1.00 0.00 O ATOM 715 CB ASP A 53 10.964 6.890 0.592 1.00 0.00 C ATOM 716 CG ASP A 53 11.476 8.307 0.861 1.00 0.00 C ATOM 717 OD1 ASP A 53 10.784 9.252 0.425 1.00 0.00 O ATOM 718 OD2 ASP A 53 12.547 8.412 1.496 1.00 0.00 O ATOM 0 H ASP A 53 10.373 4.668 -0.575 1.00 0.00 H new ATOM 0 HA ASP A 53 9.196 7.352 -0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.391 6.557 1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.820 6.222 0.500 1.00 0.00 H new ATOM 723 N LEU A 54 11.980 6.445 -2.128 1.00 0.00 N ATOM 724 CA LEU A 54 12.856 6.755 -3.245 1.00 0.00 C ATOM 725 C LEU A 54 12.013 6.965 -4.505 1.00 0.00 C ATOM 726 O LEU A 54 12.106 8.008 -5.151 1.00 0.00 O ATOM 727 CB LEU A 54 13.931 5.677 -3.398 1.00 0.00 C ATOM 728 CG LEU A 54 15.033 5.674 -2.337 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.144 4.688 -2.703 1.00 0.00 C ATOM 730 CD2 LEU A 54 15.573 7.086 -2.103 1.00 0.00 C ATOM 0 H LEU A 54 12.253 5.625 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 54 13.394 7.685 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.444 4.702 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.397 5.792 -4.377 1.00 0.00 H new ATOM 0 HG LEU A 54 14.600 5.335 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.915 4.706 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.729 3.683 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.582 4.972 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.355 7.055 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 54 15.985 7.477 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.764 7.733 -1.764 1.00 0.00 H new ATOM 742 N SER A 55 11.209 5.959 -4.816 1.00 0.00 N ATOM 743 CA SER A 55 10.351 6.021 -5.986 1.00 0.00 C ATOM 744 C SER A 55 9.751 7.422 -6.122 1.00 0.00 C ATOM 745 O SER A 55 9.564 7.916 -7.232 1.00 0.00 O ATOM 746 CB SER A 55 9.239 4.972 -5.910 1.00 0.00 C ATOM 747 OG SER A 55 9.753 3.644 -5.959 1.00 0.00 O ATOM 0 H SER A 55 11.134 5.096 -4.277 1.00 0.00 H new ATOM 0 HA SER A 55 10.957 5.806 -6.866 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.675 5.108 -4.988 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.542 5.122 -6.735 1.00 0.00 H new ATOM 0 HG SER A 55 10.289 3.471 -5.157 1.00 0.00 H new ATOM 753 N GLY A 56 9.466 8.022 -4.975 1.00 0.00 N ATOM 754 CA GLY A 56 8.891 9.356 -4.952 1.00 0.00 C ATOM 755 C GLY A 56 7.407 9.320 -5.321 1.00 0.00 C ATOM 756 O GLY A 56 6.758 10.362 -5.402 1.00 0.00 O ATOM 0 H GLY A 56 9.623 7.609 -4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.012 9.791 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.427 9.999 -5.650 1.00 0.00 H new ATOM 760 N GLU A 57 6.912 8.110 -5.536 1.00 0.00 N ATOM 761 CA GLU A 57 5.517 7.924 -5.895 1.00 0.00 C ATOM 762 C GLU A 57 4.683 7.624 -4.647 1.00 0.00 C ATOM 763 O GLU A 57 3.725 8.336 -4.350 1.00 0.00 O ATOM 764 CB GLU A 57 5.361 6.816 -6.938 1.00 0.00 C ATOM 765 CG GLU A 57 6.326 7.024 -8.107 1.00 0.00 C ATOM 766 CD GLU A 57 5.719 7.953 -9.160 1.00 0.00 C ATOM 767 OE1 GLU A 57 4.938 7.437 -9.989 1.00 0.00 O ATOM 768 OE2 GLU A 57 6.050 9.157 -9.113 1.00 0.00 O ATOM 0 H GLU A 57 7.453 7.248 -5.468 1.00 0.00 H new ATOM 0 HA GLU A 57 5.151 8.849 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.548 5.847 -6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.335 6.800 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.262 7.446 -7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.566 6.062 -8.560 1.00 0.00 H new ATOM 775 N LEU A 58 5.078 6.569 -3.950 1.00 0.00 N ATOM 776 CA LEU A 58 4.380 6.165 -2.742 1.00 0.00 C ATOM 777 C LEU A 58 4.621 7.206 -1.647 1.00 0.00 C ATOM 778 O LEU A 58 5.763 7.577 -1.379 1.00 0.00 O ATOM 779 CB LEU A 58 4.782 4.745 -2.339 1.00 0.00 C ATOM 780 CG LEU A 58 3.814 4.013 -1.407 1.00 0.00 C ATOM 781 CD1 LEU A 58 2.369 4.440 -1.672 1.00 0.00 C ATOM 782 CD2 LEU A 58 3.991 2.497 -1.514 1.00 0.00 C ATOM 0 H LEU A 58 5.873 5.981 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 58 3.305 6.129 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.901 4.151 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.758 4.788 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 58 4.050 4.294 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.702 3.905 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.270 5.513 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.104 4.207 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.291 2.001 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.797 2.179 -2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.011 2.229 -1.238 1.00 0.00 H new ATOM 794 N ARG A 59 3.528 7.649 -1.044 1.00 0.00 N ATOM 795 CA ARG A 59 3.607 8.640 0.016 1.00 0.00 C ATOM 796 C ARG A 59 2.553 8.355 1.088 1.00 0.00 C ATOM 797 O ARG A 59 1.432 7.958 0.773 1.00 0.00 O ATOM 798 CB ARG A 59 3.396 10.052 -0.534 1.00 0.00 C ATOM 799 CG ARG A 59 4.462 10.399 -1.575 1.00 0.00 C ATOM 800 CD ARG A 59 4.692 11.911 -1.641 1.00 0.00 C ATOM 801 NE ARG A 59 6.121 12.194 -1.900 1.00 0.00 N ATOM 802 CZ ARG A 59 6.589 13.382 -2.307 1.00 0.00 C ATOM 803 NH1 ARG A 59 5.745 14.403 -2.505 1.00 0.00 N ATOM 804 NH2 ARG A 59 7.902 13.548 -2.517 1.00 0.00 N ATOM 0 H ARG A 59 2.582 7.340 -1.269 1.00 0.00 H new ATOM 0 HA ARG A 59 4.603 8.578 0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.406 10.127 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.431 10.773 0.282 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.396 9.896 -1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.153 10.031 -2.554 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.078 12.347 -2.429 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.385 12.375 -0.704 1.00 0.00 H new ATOM 0 HE ARG A 59 6.791 11.438 -1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.745 14.277 -2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.102 15.307 -2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.545 12.770 -2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.259 14.452 -2.827 1.00 0.00 H new ATOM 818 N ARG A 60 2.950 8.568 2.334 1.00 0.00 N ATOM 819 CA ARG A 60 2.054 8.339 3.455 1.00 0.00 C ATOM 820 C ARG A 60 0.724 9.061 3.227 1.00 0.00 C ATOM 821 O ARG A 60 0.692 10.284 3.101 1.00 0.00 O ATOM 822 CB ARG A 60 2.674 8.829 4.765 1.00 0.00 C ATOM 823 CG ARG A 60 1.732 8.579 5.945 1.00 0.00 C ATOM 824 CD ARG A 60 2.404 8.947 7.269 1.00 0.00 C ATOM 825 NE ARG A 60 2.229 10.391 7.542 1.00 0.00 N ATOM 826 CZ ARG A 60 3.047 11.347 7.078 1.00 0.00 C ATOM 827 NH1 ARG A 60 4.099 11.017 6.317 1.00 0.00 N ATOM 828 NH2 ARG A 60 2.811 12.632 7.376 1.00 0.00 N ATOM 0 H ARG A 60 3.880 8.897 2.592 1.00 0.00 H new ATOM 0 HA ARG A 60 1.881 7.265 3.527 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.621 8.318 4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.895 9.894 4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.822 9.166 5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.435 7.530 5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.973 8.360 8.080 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.465 8.702 7.228 1.00 0.00 H new ATOM 0 HE ARG A 60 1.438 10.677 8.119 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.278 10.039 6.091 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.721 11.744 5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.010 12.882 7.955 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.433 13.360 7.024 1.00 0.00 H new ATOM 842 N GLY A 61 -0.340 8.273 3.181 1.00 0.00 N ATOM 843 CA GLY A 61 -1.669 8.822 2.971 1.00 0.00 C ATOM 844 C GLY A 61 -2.318 8.224 1.721 1.00 0.00 C ATOM 845 O GLY A 61 -3.535 8.287 1.559 1.00 0.00 O ATOM 0 H GLY A 61 -0.309 7.259 3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.292 8.618 3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.607 9.906 2.870 1.00 0.00 H new ATOM 849 N ASP A 62 -1.475 7.656 0.870 1.00 0.00 N ATOM 850 CA ASP A 62 -1.951 7.047 -0.360 1.00 0.00 C ATOM 851 C ASP A 62 -2.745 5.783 -0.024 1.00 0.00 C ATOM 852 O ASP A 62 -2.266 4.923 0.714 1.00 0.00 O ATOM 853 CB ASP A 62 -0.784 6.647 -1.264 1.00 0.00 C ATOM 854 CG ASP A 62 -0.736 7.365 -2.614 1.00 0.00 C ATOM 855 OD1 ASP A 62 -0.208 8.498 -2.636 1.00 0.00 O ATOM 856 OD2 ASP A 62 -1.228 6.765 -3.594 1.00 0.00 O ATOM 0 H ASP A 62 -0.466 7.605 1.009 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.574 7.776 -0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.149 6.839 -0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.834 5.573 -1.442 1.00 0.00 H new ATOM 861 N ARG A 63 -3.944 5.709 -0.582 1.00 0.00 N ATOM 862 CA ARG A 63 -4.808 4.564 -0.351 1.00 0.00 C ATOM 863 C ARG A 63 -4.424 3.413 -1.282 1.00 0.00 C ATOM 864 O ARG A 63 -4.535 3.532 -2.502 1.00 0.00 O ATOM 865 CB ARG A 63 -6.277 4.927 -0.580 1.00 0.00 C ATOM 866 CG ARG A 63 -7.202 3.824 -0.062 1.00 0.00 C ATOM 867 CD ARG A 63 -8.626 4.010 -0.588 1.00 0.00 C ATOM 868 NE ARG A 63 -9.266 2.692 -0.793 1.00 0.00 N ATOM 869 CZ ARG A 63 -10.532 2.526 -1.199 1.00 0.00 C ATOM 870 NH1 ARG A 63 -11.301 3.595 -1.447 1.00 0.00 N ATOM 871 NH2 ARG A 63 -11.029 1.292 -1.358 1.00 0.00 N ATOM 0 H ARG A 63 -4.338 6.424 -1.194 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.679 4.256 0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.506 5.865 -0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.454 5.086 -1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.821 2.850 -0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.209 3.833 1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.209 4.601 0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.606 4.564 -1.527 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.708 1.857 -0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.922 4.534 -1.327 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.265 3.469 -1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.443 0.478 -1.170 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.993 1.166 -1.667 1.00 0.00 H new ATOM 885 N ILE A 64 -3.979 2.324 -0.672 1.00 0.00 N ATOM 886 CA ILE A 64 -3.577 1.152 -1.431 1.00 0.00 C ATOM 887 C ILE A 64 -4.821 0.471 -2.005 1.00 0.00 C ATOM 888 O ILE A 64 -5.551 -0.207 -1.284 1.00 0.00 O ATOM 889 CB ILE A 64 -2.711 0.228 -0.573 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.478 0.966 -0.046 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.335 -1.041 -1.340 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.417 1.111 -1.139 1.00 0.00 C ATOM 0 H ILE A 64 -3.888 2.229 0.339 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.952 1.441 -2.276 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.296 -0.082 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.768 1.952 0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.060 0.424 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.719 -1.680 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.241 -1.576 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.776 -0.772 -2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.448 1.639 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.112 0.123 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.831 1.675 -1.975 1.00 0.00 H new ATOM 904 N LEU A 65 -5.025 0.674 -3.299 1.00 0.00 N ATOM 905 CA LEU A 65 -6.168 0.088 -3.978 1.00 0.00 C ATOM 906 C LEU A 65 -5.952 -1.420 -4.120 1.00 0.00 C ATOM 907 O LEU A 65 -6.786 -2.213 -3.685 1.00 0.00 O ATOM 908 CB LEU A 65 -6.424 0.800 -5.307 1.00 0.00 C ATOM 909 CG LEU A 65 -7.247 2.088 -5.230 1.00 0.00 C ATOM 910 CD1 LEU A 65 -8.660 1.806 -4.716 1.00 0.00 C ATOM 911 CD2 LEU A 65 -6.532 3.147 -4.389 1.00 0.00 C ATOM 0 H LEU A 65 -4.417 1.236 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.074 0.227 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.462 1.034 -5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.933 0.106 -5.976 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.345 2.491 -6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.224 2.738 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.161 1.111 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.604 1.367 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.139 4.052 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.381 2.768 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.566 3.377 -4.838 1.00 0.00 H new ATOM 923 N SER A 66 -4.830 -1.771 -4.730 1.00 0.00 N ATOM 924 CA SER A 66 -4.495 -3.170 -4.935 1.00 0.00 C ATOM 925 C SER A 66 -2.977 -3.356 -4.893 1.00 0.00 C ATOM 926 O SER A 66 -2.226 -2.387 -5.001 1.00 0.00 O ATOM 927 CB SER A 66 -5.056 -3.682 -6.263 1.00 0.00 C ATOM 928 OG SER A 66 -6.469 -3.520 -6.343 1.00 0.00 O ATOM 0 H SER A 66 -4.141 -1.111 -5.089 1.00 0.00 H new ATOM 0 HA SER A 66 -4.948 -3.751 -4.132 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.583 -3.148 -7.087 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.805 -4.736 -6.381 1.00 0.00 H new ATOM 0 HG SER A 66 -6.789 -3.857 -7.206 1.00 0.00 H new ATOM 934 N VAL A 67 -2.570 -4.607 -4.735 1.00 0.00 N ATOM 935 CA VAL A 67 -1.155 -4.932 -4.678 1.00 0.00 C ATOM 936 C VAL A 67 -0.848 -6.034 -5.693 1.00 0.00 C ATOM 937 O VAL A 67 -1.619 -6.981 -5.840 1.00 0.00 O ATOM 938 CB VAL A 67 -0.763 -5.310 -3.248 1.00 0.00 C ATOM 939 CG1 VAL A 67 0.400 -6.304 -3.243 1.00 0.00 C ATOM 940 CG2 VAL A 67 -0.424 -4.066 -2.425 1.00 0.00 C ATOM 0 H VAL A 67 -3.195 -5.408 -4.645 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.552 -4.065 -4.948 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.621 -5.796 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.659 -6.556 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.108 -7.209 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.263 -5.856 -3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.149 -4.363 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.411 -3.540 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.292 -3.408 -2.387 1.00 0.00 H new ATOM 950 N ASN A 68 0.281 -5.875 -6.368 1.00 0.00 N ATOM 951 CA ASN A 68 0.700 -6.844 -7.366 1.00 0.00 C ATOM 952 C ASN A 68 -0.519 -7.301 -8.170 1.00 0.00 C ATOM 953 O ASN A 68 -0.589 -8.452 -8.599 1.00 0.00 O ATOM 954 CB ASN A 68 1.322 -8.078 -6.708 1.00 0.00 C ATOM 955 CG ASN A 68 2.473 -8.628 -7.553 1.00 0.00 C ATOM 956 OD1 ASN A 68 3.483 -9.116 -6.838 1.00 0.00 O flip ATOM 957 ND2 ASN A 68 2.446 -8.611 -8.772 1.00 0.00 N flip ATOM 0 H ASN A 68 0.919 -5.089 -6.243 1.00 0.00 H new ATOM 0 HA ASN A 68 1.439 -6.367 -8.010 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.687 -7.820 -5.714 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.561 -8.848 -6.578 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.639 -8.221 -9.259 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.231 -8.987 -9.305 1.00 0.00 H new ATOM 964 N GLY A 69 -1.450 -6.376 -8.351 1.00 0.00 N ATOM 965 CA GLY A 69 -2.662 -6.669 -9.096 1.00 0.00 C ATOM 966 C GLY A 69 -3.619 -7.529 -8.269 1.00 0.00 C ATOM 967 O GLY A 69 -4.139 -8.532 -8.757 1.00 0.00 O ATOM 0 H GLY A 69 -1.389 -5.422 -7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.154 -5.738 -9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.408 -7.187 -10.021 1.00 0.00 H new ATOM 971 N VAL A 70 -3.824 -7.107 -7.030 1.00 0.00 N ATOM 972 CA VAL A 70 -4.710 -7.826 -6.130 1.00 0.00 C ATOM 973 C VAL A 70 -5.707 -6.845 -5.511 1.00 0.00 C ATOM 974 O VAL A 70 -5.330 -5.999 -4.701 1.00 0.00 O ATOM 975 CB VAL A 70 -3.890 -8.585 -5.084 1.00 0.00 C ATOM 976 CG1 VAL A 70 -4.797 -9.198 -4.016 1.00 0.00 C ATOM 977 CG2 VAL A 70 -3.017 -9.654 -5.743 1.00 0.00 C ATOM 0 H VAL A 70 -3.391 -6.275 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.286 -8.573 -6.677 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.230 -7.871 -4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.189 -9.732 -3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.356 -8.407 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.493 -9.893 -4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.445 -10.179 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.650 -10.365 -6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.333 -9.181 -6.448 1.00 0.00 H new ATOM 987 N ASN A 71 -6.960 -6.991 -5.915 1.00 0.00 N ATOM 988 CA ASN A 71 -8.015 -6.128 -5.410 1.00 0.00 C ATOM 989 C ASN A 71 -8.004 -6.159 -3.881 1.00 0.00 C ATOM 990 O ASN A 71 -8.465 -7.124 -3.272 1.00 0.00 O ATOM 991 CB ASN A 71 -9.390 -6.604 -5.883 1.00 0.00 C ATOM 992 CG ASN A 71 -10.349 -5.425 -6.055 1.00 0.00 C ATOM 993 OD1 ASN A 71 -10.528 -4.603 -5.172 1.00 0.00 O ATOM 994 ND2 ASN A 71 -10.955 -5.388 -7.239 1.00 0.00 N ATOM 0 H ASN A 71 -7.269 -7.694 -6.586 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.834 -5.120 -5.784 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.289 -7.136 -6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.802 -7.310 -5.162 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.615 -4.639 -7.451 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.760 -6.108 -7.934 1.00 0.00 H new ATOM 1001 N LEU A 72 -7.474 -5.091 -3.303 1.00 0.00 N ATOM 1002 CA LEU A 72 -7.398 -4.984 -1.856 1.00 0.00 C ATOM 1003 C LEU A 72 -8.519 -4.070 -1.357 1.00 0.00 C ATOM 1004 O LEU A 72 -8.619 -3.800 -0.161 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.000 -4.533 -1.425 1.00 0.00 C ATOM 1006 CG LEU A 72 -4.859 -5.505 -1.731 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -3.613 -5.163 -0.910 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -5.302 -6.954 -1.524 1.00 0.00 C ATOM 0 H LEU A 72 -7.093 -4.292 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.551 -5.959 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.781 -3.582 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.015 -4.347 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.592 -5.398 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.817 -5.869 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.285 -4.152 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.849 -5.224 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.472 -7.624 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.613 -7.095 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.138 -7.177 -2.187 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.335 -3.620 -2.298 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.446 -2.743 -1.969 1.00 0.00 C ATOM 1022 C ARG A 73 -11.076 -3.160 -0.638 1.00 0.00 C ATOM 1023 O ARG A 73 -10.938 -2.461 0.364 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.515 -2.773 -3.063 1.00 0.00 C ATOM 1025 CG ARG A 73 -11.157 -1.822 -4.206 1.00 0.00 C ATOM 1026 CD ARG A 73 -12.349 -1.618 -5.144 1.00 0.00 C ATOM 1027 NE ARG A 73 -11.933 -1.841 -6.546 1.00 0.00 N ATOM 1028 CZ ARG A 73 -11.315 -0.923 -7.302 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -11.037 0.286 -6.794 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -10.974 -1.213 -8.565 1.00 0.00 N ATOM 0 H ARG A 73 -9.249 -3.846 -3.289 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.054 -1.729 -1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.618 -3.788 -3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.480 -2.493 -2.641 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.841 -0.861 -3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.313 -2.223 -4.767 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.152 -2.306 -4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.744 -0.609 -5.029 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.129 -2.751 -6.964 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.296 0.507 -5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.567 0.985 -7.369 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.185 -2.133 -8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.504 -0.514 -9.140 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.752 -4.299 -0.672 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.404 -4.818 0.519 1.00 0.00 C ATOM 1046 C ASN A 74 -11.530 -5.912 1.137 1.00 0.00 C ATOM 1047 O ASN A 74 -12.038 -6.943 1.574 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.763 -5.433 0.180 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.533 -4.552 -0.805 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -14.971 -4.988 -1.857 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -14.673 -3.290 -0.408 1.00 0.00 N ATOM 0 H ASN A 74 -11.862 -4.877 -1.505 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.547 -3.990 1.213 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.620 -6.425 -0.249 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.346 -5.561 1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.172 -2.623 -0.997 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.282 -2.990 0.485 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.232 -5.649 1.153 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.283 -6.598 1.710 1.00 0.00 C ATOM 1060 C ALA A 75 -8.901 -6.160 3.125 1.00 0.00 C ATOM 1061 O ALA A 75 -8.764 -4.967 3.394 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.069 -6.709 0.786 1.00 0.00 C ATOM 0 H ALA A 75 -9.815 -4.792 0.789 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.730 -7.590 1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.357 -7.421 1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.390 -7.052 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.593 -5.733 0.692 1.00 0.00 H new ATOM 1068 N THR A 76 -8.738 -7.148 3.993 1.00 0.00 N ATOM 1069 CA THR A 76 -8.374 -6.879 5.374 1.00 0.00 C ATOM 1070 C THR A 76 -6.888 -6.531 5.475 1.00 0.00 C ATOM 1071 O THR A 76 -6.118 -6.805 4.555 1.00 0.00 O ATOM 1072 CB THR A 76 -8.772 -8.095 6.213 1.00 0.00 C ATOM 1073 OG1 THR A 76 -7.771 -9.065 5.915 1.00 0.00 O ATOM 1074 CG2 THR A 76 -10.071 -8.741 5.729 1.00 0.00 C ATOM 0 H THR A 76 -8.851 -8.136 3.767 1.00 0.00 H new ATOM 0 HA THR A 76 -8.906 -6.010 5.762 1.00 0.00 H new ATOM 0 HB THR A 76 -8.882 -7.796 7.255 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.951 -9.886 6.419 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.307 -9.599 6.359 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.882 -8.015 5.786 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.951 -9.071 4.697 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.528 -5.932 6.601 1.00 0.00 N ATOM 1083 CA HIS A 77 -5.148 -5.543 6.834 1.00 0.00 C ATOM 1084 C HIS A 77 -4.219 -6.699 6.459 1.00 0.00 C ATOM 1085 O HIS A 77 -3.263 -6.513 5.706 1.00 0.00 O ATOM 1086 CB HIS A 77 -4.953 -5.070 8.276 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.676 -4.296 8.501 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -2.708 -3.899 7.626 1.00 0.00 N flip ATOM 1089 CD2 HIS A 77 -3.282 -3.846 9.750 1.00 0.00 C flip ATOM 1090 CE1 HIS A 77 -1.775 -3.241 8.303 1.00 0.00 C flip ATOM 1091 NE2 HIS A 77 -2.129 -3.207 9.619 1.00 0.00 N flip ATOM 0 H HIS A 77 -7.169 -5.707 7.362 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.893 -4.696 6.197 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.800 -4.445 8.560 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.961 -5.937 8.936 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.823 -3.991 10.674 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.882 -2.804 7.881 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -1.599 -2.767 10.371 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.532 -7.867 7.000 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.737 -9.053 6.731 1.00 0.00 C ATOM 1101 C GLU A 78 -3.745 -9.370 5.234 1.00 0.00 C ATOM 1102 O GLU A 78 -2.692 -9.594 4.638 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.239 -10.246 7.546 1.00 0.00 C ATOM 1104 CG GLU A 78 -3.072 -11.108 8.033 1.00 0.00 C ATOM 1105 CD GLU A 78 -3.569 -12.258 8.912 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -3.840 -11.986 10.102 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -3.666 -13.382 8.375 1.00 0.00 O ATOM 0 H GLU A 78 -5.325 -8.017 7.623 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.709 -8.854 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.815 -9.891 8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.912 -10.849 6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.529 -11.508 7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.370 -10.492 8.596 1.00 0.00 H new ATOM 1114 N GLN A 79 -4.943 -9.378 4.670 1.00 0.00 N ATOM 1115 CA GLN A 79 -5.102 -9.663 3.254 1.00 0.00 C ATOM 1116 C GLN A 79 -4.224 -8.726 2.422 1.00 0.00 C ATOM 1117 O GLN A 79 -3.609 -9.151 1.445 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.569 -9.555 2.834 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.227 -10.936 2.782 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.023 -11.115 1.487 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -7.681 -10.591 0.440 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.101 -11.883 1.617 1.00 0.00 N ATOM 0 H GLN A 79 -5.814 -9.192 5.168 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.780 -10.688 3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.106 -8.918 3.537 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.637 -9.079 1.856 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.463 -11.710 2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.888 -11.061 3.640 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.330 -12.291 2.523 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.699 -12.064 0.810 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.193 -7.469 2.840 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.400 -6.469 2.145 1.00 0.00 C ATOM 1133 C ALA A 80 -1.916 -6.808 2.294 1.00 0.00 C ATOM 1134 O ALA A 80 -1.115 -6.502 1.412 1.00 0.00 O ATOM 1135 CB ALA A 80 -3.739 -5.080 2.691 1.00 0.00 C ATOM 0 H ALA A 80 -4.704 -7.120 3.651 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.632 -6.466 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.145 -4.329 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.798 -4.876 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.516 -5.044 3.757 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.594 -7.435 3.415 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.220 -7.819 3.690 1.00 0.00 C ATOM 1143 C ALA A 81 0.108 -9.104 2.927 1.00 0.00 C ATOM 1144 O ALA A 81 1.163 -9.207 2.303 1.00 0.00 O ATOM 1145 CB ALA A 81 -0.025 -7.972 5.200 1.00 0.00 C ATOM 0 H ALA A 81 -2.261 -7.687 4.144 1.00 0.00 H new ATOM 0 HA ALA A 81 0.470 -7.047 3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.006 -8.260 5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.243 -7.024 5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.699 -8.741 5.578 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.815 -10.051 3.002 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.636 -11.325 2.327 1.00 0.00 C ATOM 1153 C ALA A 82 -0.385 -11.077 0.838 1.00 0.00 C ATOM 1154 O ALA A 82 0.268 -11.880 0.173 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.861 -12.209 2.571 1.00 0.00 C ATOM 0 H ALA A 82 -1.689 -9.962 3.520 1.00 0.00 H new ATOM 0 HA ALA A 82 0.231 -11.852 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.727 -13.165 2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.980 -12.379 3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.750 -11.714 2.181 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.916 -9.962 0.359 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.757 -9.598 -1.039 1.00 0.00 C ATOM 1163 C ALA A 83 0.686 -9.154 -1.285 1.00 0.00 C ATOM 1164 O ALA A 83 1.149 -9.140 -2.425 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.771 -8.511 -1.402 1.00 0.00 C ATOM 0 H ALA A 83 -1.457 -9.299 0.914 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.953 -10.455 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.652 -8.238 -2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.781 -8.886 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.603 -7.634 -0.777 1.00 0.00 H new ATOM 1171 N LEU A 84 1.357 -8.803 -0.198 1.00 0.00 N ATOM 1172 CA LEU A 84 2.738 -8.360 -0.282 1.00 0.00 C ATOM 1173 C LEU A 84 3.666 -9.539 0.020 1.00 0.00 C ATOM 1174 O LEU A 84 4.766 -9.623 -0.525 1.00 0.00 O ATOM 1175 CB LEU A 84 2.968 -7.149 0.624 1.00 0.00 C ATOM 1176 CG LEU A 84 2.443 -5.811 0.101 1.00 0.00 C ATOM 1177 CD1 LEU A 84 2.558 -4.721 1.169 1.00 0.00 C ATOM 1178 CD2 LEU A 84 3.147 -5.416 -1.199 1.00 0.00 C ATOM 0 H LEU A 84 0.970 -8.816 0.746 1.00 0.00 H new ATOM 0 HA LEU A 84 2.969 -8.022 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.501 -7.348 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.039 -7.052 0.802 1.00 0.00 H new ATOM 0 HG LEU A 84 1.384 -5.926 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.178 -3.780 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.975 -5.007 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.603 -4.599 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.755 -4.461 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.218 -5.325 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.970 -6.180 -1.956 1.00 0.00 H new ATOM 1190 N LYS A 85 3.189 -10.420 0.886 1.00 0.00 N ATOM 1191 CA LYS A 85 3.962 -11.590 1.267 1.00 0.00 C ATOM 1192 C LYS A 85 4.021 -12.563 0.088 1.00 0.00 C ATOM 1193 O LYS A 85 4.873 -13.449 0.051 1.00 0.00 O ATOM 1194 CB LYS A 85 3.401 -12.209 2.548 1.00 0.00 C ATOM 1195 CG LYS A 85 3.970 -11.515 3.788 1.00 0.00 C ATOM 1196 CD LYS A 85 3.344 -10.133 3.978 1.00 0.00 C ATOM 1197 CE LYS A 85 3.880 -9.457 5.242 1.00 0.00 C ATOM 1198 NZ LYS A 85 3.916 -7.988 5.068 1.00 0.00 N ATOM 0 H LYS A 85 2.276 -10.347 1.335 1.00 0.00 H new ATOM 0 HA LYS A 85 4.989 -11.309 1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.314 -12.129 2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.642 -13.271 2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.783 -12.127 4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.051 -11.418 3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.558 -9.510 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.260 -10.227 4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.250 -9.713 6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.881 -9.828 5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.152 -7.537 5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.636 -7.740 4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.985 -7.654 4.746 1.00 0.00 H new ATOM 1212 N ARG A 86 3.103 -12.365 -0.847 1.00 0.00 N ATOM 1213 CA ARG A 86 3.039 -13.214 -2.025 1.00 0.00 C ATOM 1214 C ARG A 86 3.814 -12.578 -3.181 1.00 0.00 C ATOM 1215 O ARG A 86 4.228 -13.269 -4.110 1.00 0.00 O ATOM 1216 CB ARG A 86 1.590 -13.447 -2.458 1.00 0.00 C ATOM 1217 CG ARG A 86 0.981 -12.172 -3.044 1.00 0.00 C ATOM 1218 CD ARG A 86 -0.125 -12.503 -4.047 1.00 0.00 C ATOM 1219 NE ARG A 86 0.100 -11.766 -5.311 1.00 0.00 N ATOM 1220 CZ ARG A 86 1.079 -12.048 -6.181 1.00 0.00 C ATOM 1221 NH1 ARG A 86 1.930 -13.052 -5.930 1.00 0.00 N ATOM 1222 NH2 ARG A 86 1.208 -11.326 -7.302 1.00 0.00 N ATOM 0 H ARG A 86 2.397 -11.629 -0.813 1.00 0.00 H new ATOM 0 HA ARG A 86 3.488 -14.173 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.552 -14.246 -3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.000 -13.777 -1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.576 -11.556 -2.241 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.758 -11.586 -3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.143 -13.576 -4.240 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.097 -12.238 -3.630 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.530 -10.995 -5.533 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.833 -13.602 -5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.675 -13.267 -6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.561 -10.561 -7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.954 -11.541 -7.964 1.00 0.00 H new ATOM 1236 N ALA A 87 3.985 -11.268 -3.085 1.00 0.00 N ATOM 1237 CA ALA A 87 4.703 -10.530 -4.111 1.00 0.00 C ATOM 1238 C ALA A 87 6.143 -11.041 -4.187 1.00 0.00 C ATOM 1239 O ALA A 87 6.387 -12.242 -4.075 1.00 0.00 O ATOM 1240 CB ALA A 87 4.631 -9.032 -3.809 1.00 0.00 C ATOM 0 H ALA A 87 3.639 -10.698 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 87 4.245 -10.687 -5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.170 -8.479 -4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.589 -8.713 -3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.083 -8.835 -2.837 1.00 0.00 H new ATOM 1246 N GLY A 88 7.060 -10.104 -4.378 1.00 0.00 N ATOM 1247 CA GLY A 88 8.470 -10.444 -4.470 1.00 0.00 C ATOM 1248 C GLY A 88 9.325 -9.191 -4.666 1.00 0.00 C ATOM 1249 O GLY A 88 8.993 -8.123 -4.154 1.00 0.00 O ATOM 0 H GLY A 88 6.854 -9.109 -4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.782 -10.963 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.629 -11.130 -5.302 1.00 0.00 H new ATOM 1253 N GLN A 89 10.409 -9.363 -5.409 1.00 0.00 N ATOM 1254 CA GLN A 89 11.314 -8.259 -5.679 1.00 0.00 C ATOM 1255 C GLN A 89 10.558 -7.102 -6.335 1.00 0.00 C ATOM 1256 O GLN A 89 10.644 -5.962 -5.880 1.00 0.00 O ATOM 1257 CB GLN A 89 12.487 -8.712 -6.550 1.00 0.00 C ATOM 1258 CG GLN A 89 13.568 -9.388 -5.705 1.00 0.00 C ATOM 1259 CD GLN A 89 14.662 -8.392 -5.315 1.00 0.00 C ATOM 1260 OE1 GLN A 89 14.626 -7.223 -5.662 1.00 0.00 O ATOM 1261 NE2 GLN A 89 15.634 -8.918 -4.575 1.00 0.00 N ATOM 0 H GLN A 89 10.681 -10.250 -5.832 1.00 0.00 H new ATOM 0 HA GLN A 89 11.723 -7.909 -4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.132 -9.404 -7.314 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.911 -7.853 -7.070 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.120 -9.812 -4.806 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.007 -10.215 -6.263 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.603 -9.905 -4.319 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.410 -8.334 -4.263 1.00 0.00 H new ATOM 1270 N SER A 90 9.835 -7.434 -7.394 1.00 0.00 N ATOM 1271 CA SER A 90 9.065 -6.437 -8.118 1.00 0.00 C ATOM 1272 C SER A 90 7.584 -6.549 -7.748 1.00 0.00 C ATOM 1273 O SER A 90 6.918 -7.512 -8.125 1.00 0.00 O ATOM 1274 CB SER A 90 9.247 -6.590 -9.629 1.00 0.00 C ATOM 1275 OG SER A 90 9.668 -7.903 -9.986 1.00 0.00 O ATOM 0 H SER A 90 9.766 -8.380 -7.768 1.00 0.00 H new ATOM 0 HA SER A 90 9.431 -5.450 -7.834 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.308 -6.361 -10.132 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.982 -5.866 -9.981 1.00 0.00 H new ATOM 0 HG SER A 90 9.771 -7.960 -10.959 1.00 0.00 H new ATOM 1281 N VAL A 91 7.113 -5.551 -7.015 1.00 0.00 N ATOM 1282 CA VAL A 91 5.724 -5.526 -6.589 1.00 0.00 C ATOM 1283 C VAL A 91 5.056 -4.255 -7.118 1.00 0.00 C ATOM 1284 O VAL A 91 5.594 -3.159 -6.969 1.00 0.00 O ATOM 1285 CB VAL A 91 5.640 -5.656 -5.067 1.00 0.00 C ATOM 1286 CG1 VAL A 91 4.216 -6.000 -4.624 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.640 -6.691 -4.550 1.00 0.00 C ATOM 0 H VAL A 91 7.669 -4.754 -6.705 1.00 0.00 H new ATOM 0 HA VAL A 91 5.182 -6.376 -7.004 1.00 0.00 H new ATOM 0 HB VAL A 91 5.902 -4.691 -4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.184 -6.087 -3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.535 -5.212 -4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.914 -6.946 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.560 -6.764 -3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.423 -7.661 -4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.651 -6.386 -4.819 1.00 0.00 H new ATOM 1297 N THR A 92 3.894 -4.444 -7.726 1.00 0.00 N ATOM 1298 CA THR A 92 3.147 -3.327 -8.278 1.00 0.00 C ATOM 1299 C THR A 92 2.058 -2.879 -7.301 1.00 0.00 C ATOM 1300 O THR A 92 1.004 -3.507 -7.210 1.00 0.00 O ATOM 1301 CB THR A 92 2.603 -3.750 -9.643 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.749 -4.229 -10.341 1.00 0.00 O ATOM 1303 CG2 THR A 92 2.127 -2.560 -10.479 1.00 0.00 C ATOM 0 H THR A 92 3.451 -5.355 -7.848 1.00 0.00 H new ATOM 0 HA THR A 92 3.787 -2.457 -8.423 1.00 0.00 H new ATOM 0 HB THR A 92 1.778 -4.448 -9.503 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.486 -4.526 -11.237 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.751 -2.916 -11.438 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.331 -2.038 -9.948 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.960 -1.877 -10.647 1.00 0.00 H new ATOM 1311 N ILE A 93 2.349 -1.796 -6.595 1.00 0.00 N ATOM 1312 CA ILE A 93 1.408 -1.257 -5.629 1.00 0.00 C ATOM 1313 C ILE A 93 0.618 -0.117 -6.274 1.00 0.00 C ATOM 1314 O ILE A 93 1.186 0.916 -6.624 1.00 0.00 O ATOM 1315 CB ILE A 93 2.132 -0.852 -4.343 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.487 -2.081 -3.504 1.00 0.00 C ATOM 1317 CG2 ILE A 93 1.312 0.166 -3.549 1.00 0.00 C ATOM 1318 CD1 ILE A 93 3.948 -2.485 -3.713 1.00 0.00 C ATOM 0 H ILE A 93 3.224 -1.277 -6.673 1.00 0.00 H new ATOM 0 HA ILE A 93 0.687 -2.019 -5.335 1.00 0.00 H new ATOM 0 HB ILE A 93 3.069 -0.367 -4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.312 -1.868 -2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.834 -2.911 -3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.849 0.437 -2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.153 1.058 -4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.348 -0.270 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.174 -3.361 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.114 -2.720 -4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.599 -1.662 -3.419 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.681 -0.343 -6.413 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.554 0.652 -7.010 1.00 0.00 C ATOM 1332 C VAL A 94 -2.341 1.362 -5.906 1.00 0.00 C ATOM 1333 O VAL A 94 -3.317 0.821 -5.389 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.455 -0.004 -8.059 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -3.378 1.027 -8.711 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.624 -0.740 -9.112 1.00 0.00 C ATOM 0 H VAL A 94 -1.149 -1.201 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.969 1.410 -7.531 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.080 -0.739 -7.552 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.007 0.535 -9.452 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.007 1.486 -7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.778 1.796 -9.198 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.288 -1.197 -9.845 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.962 -0.033 -9.613 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.029 -1.515 -8.629 1.00 0.00 H new ATOM 1346 N ALA A 95 -1.887 2.562 -5.578 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.536 3.352 -4.546 1.00 0.00 C ATOM 1348 C ALA A 95 -2.812 4.758 -5.082 1.00 0.00 C ATOM 1349 O ALA A 95 -2.105 5.238 -5.967 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.661 3.369 -3.290 1.00 0.00 C ATOM 0 H ALA A 95 -1.077 3.007 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.494 2.910 -4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.148 3.962 -2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.519 2.349 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.692 3.808 -3.528 1.00 0.00 H new ATOM 1356 N GLN A 96 -3.843 5.377 -4.525 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.221 6.718 -4.937 1.00 0.00 C ATOM 1358 C GLN A 96 -3.951 7.716 -3.809 1.00 0.00 C ATOM 1359 O GLN A 96 -4.402 7.521 -2.682 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.688 6.765 -5.371 1.00 0.00 C ATOM 1361 CG GLN A 96 -6.606 7.017 -4.173 1.00 0.00 C ATOM 1362 CD GLN A 96 -8.065 7.140 -4.617 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -8.779 8.057 -4.245 1.00 0.00 O ATOM 1364 NE2 GLN A 96 -8.466 6.168 -5.432 1.00 0.00 N ATOM 0 H GLN A 96 -4.428 4.975 -3.792 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.612 6.998 -5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.827 7.552 -6.112 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.960 5.824 -5.850 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.508 6.201 -3.457 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.300 7.929 -3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.816 5.430 -5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.423 6.161 -5.785 1.00 0.00 H new ATOM 1373 N TYR A 97 -3.216 8.763 -4.152 1.00 0.00 N ATOM 1374 CA TYR A 97 -2.880 9.792 -3.183 1.00 0.00 C ATOM 1375 C TYR A 97 -4.143 10.434 -2.605 1.00 0.00 C ATOM 1376 O TYR A 97 -4.649 11.415 -3.148 1.00 0.00 O ATOM 1377 CB TYR A 97 -2.088 10.853 -3.950 1.00 0.00 C ATOM 1378 CG TYR A 97 -1.036 11.575 -3.106 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -1.279 11.834 -1.773 1.00 0.00 C ATOM 1380 CD2 TYR A 97 0.157 11.968 -3.679 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -0.289 12.514 -0.979 1.00 0.00 C ATOM 1382 CE2 TYR A 97 1.147 12.648 -2.885 1.00 0.00 C ATOM 1383 CZ TYR A 97 0.875 12.887 -1.574 1.00 0.00 C ATOM 1384 OH TYR A 97 1.811 13.530 -0.824 1.00 0.00 O ATOM 0 H TYR A 97 -2.843 8.921 -5.088 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.314 9.367 -2.354 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.595 10.380 -4.800 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.783 11.589 -4.354 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.212 11.527 -1.325 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.348 11.765 -4.723 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.467 12.723 0.066 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.084 12.961 -3.321 1.00 0.00 H new ATOM 0 HH TYR A 97 2.591 13.735 -1.380 1.00 0.00 H new ATOM 1394 N ARG A 98 -4.615 9.855 -1.511 1.00 0.00 N ATOM 1395 CA ARG A 98 -5.810 10.359 -0.854 1.00 0.00 C ATOM 1396 C ARG A 98 -5.520 10.655 0.619 1.00 0.00 C ATOM 1397 O ARG A 98 -5.810 9.836 1.489 1.00 0.00 O ATOM 1398 CB ARG A 98 -6.957 9.351 -0.948 1.00 0.00 C ATOM 1399 CG ARG A 98 -8.307 10.035 -0.728 1.00 0.00 C ATOM 1400 CD ARG A 98 -9.192 9.914 -1.970 1.00 0.00 C ATOM 1401 NE ARG A 98 -10.512 10.534 -1.714 1.00 0.00 N ATOM 1402 CZ ARG A 98 -11.487 10.630 -2.627 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -11.297 10.148 -3.863 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -12.652 11.208 -2.306 1.00 0.00 N ATOM 0 H ARG A 98 -4.192 9.042 -1.063 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.106 11.277 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.944 8.870 -1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.818 8.566 -0.205 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.811 9.585 0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.151 11.087 -0.489 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.711 10.401 -2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.319 8.864 -2.235 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.690 10.912 -0.783 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.410 9.708 -4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.039 10.221 -4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.797 11.575 -1.366 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.394 11.281 -3.002 1.00 0.00 H new ATOM 1418 N PRO A 99 -4.936 11.860 0.859 1.00 0.00 N ATOM 1419 CA PRO A 99 -4.604 12.275 2.211 1.00 0.00 C ATOM 1420 C PRO A 99 -5.859 12.690 2.981 1.00 0.00 C ATOM 1421 O PRO A 99 -5.857 12.719 4.211 1.00 0.00 O ATOM 1422 CB PRO A 99 -3.608 13.410 2.041 1.00 0.00 C ATOM 1423 CG PRO A 99 -3.772 13.897 0.611 1.00 0.00 C ATOM 1424 CD PRO A 99 -4.578 12.856 -0.147 1.00 0.00 C ATOM 0 HA PRO A 99 -4.171 11.469 2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.805 14.212 2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.590 13.066 2.222 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.280 14.861 0.592 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -2.798 14.041 0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.465 13.296 -0.602 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -3.994 12.412 -0.953 1.00 0.00 H new ATOM 1432 N GLU A 100 -6.902 13.002 2.225 1.00 0.00 N ATOM 1433 CA GLU A 100 -8.161 13.415 2.821 1.00 0.00 C ATOM 1434 C GLU A 100 -8.741 12.285 3.675 1.00 0.00 C ATOM 1435 O GLU A 100 -9.333 12.535 4.723 1.00 0.00 O ATOM 1436 CB GLU A 100 -9.157 13.857 1.747 1.00 0.00 C ATOM 1437 CG GLU A 100 -10.166 14.859 2.313 1.00 0.00 C ATOM 1438 CD GLU A 100 -11.071 15.409 1.208 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -10.510 15.838 0.177 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -12.302 15.388 1.421 1.00 0.00 O ATOM 0 H GLU A 100 -6.901 12.977 1.205 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.970 14.271 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.621 14.308 0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.684 12.987 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.773 14.376 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.637 15.680 2.797 1.00 0.00 H new ATOM 1447 N GLU A 101 -8.549 11.065 3.194 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.045 9.896 3.899 1.00 0.00 C ATOM 1449 C GLU A 101 -8.146 9.577 5.096 1.00 0.00 C ATOM 1450 O GLU A 101 -8.561 9.722 6.244 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.155 8.694 2.960 1.00 0.00 C ATOM 1452 CG GLU A 101 -10.537 8.631 2.308 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.510 7.815 3.163 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -11.276 6.593 3.277 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -12.464 8.433 3.682 1.00 0.00 O ATOM 0 H GLU A 101 -8.057 10.861 2.324 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.046 10.117 4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.388 8.760 2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.970 7.775 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.925 9.640 2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.456 8.185 1.317 1.00 0.00 H new ATOM 1462 N TYR A 102 -6.931 9.149 4.785 1.00 0.00 N ATOM 1463 CA TYR A 102 -5.970 8.808 5.819 1.00 0.00 C ATOM 1464 C TYR A 102 -6.059 9.785 6.993 1.00 0.00 C ATOM 1465 O TYR A 102 -5.757 9.425 8.130 1.00 0.00 O ATOM 1466 CB TYR A 102 -4.590 8.932 5.171 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.433 8.533 6.088 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.435 7.298 6.704 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.386 9.407 6.300 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.346 6.922 7.568 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.297 9.031 7.164 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.331 7.807 7.755 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.302 7.452 8.571 1.00 0.00 O ATOM 0 H TYR A 102 -6.591 9.031 3.831 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.161 7.807 6.205 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.563 8.309 4.277 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.444 9.962 4.846 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.254 6.613 6.538 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.383 10.373 5.818 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.336 5.959 8.056 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.472 9.706 7.339 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.623 6.817 9.245 1.00 0.00 H new ATOM 1483 N SER A 103 -6.474 11.003 6.678 1.00 0.00 N ATOM 1484 CA SER A 103 -6.606 12.035 7.692 1.00 0.00 C ATOM 1485 C SER A 103 -7.156 11.430 8.985 1.00 0.00 C ATOM 1486 O SER A 103 -6.685 11.754 10.075 1.00 0.00 O ATOM 1487 CB SER A 103 -7.513 13.169 7.209 1.00 0.00 C ATOM 1488 OG SER A 103 -7.809 14.096 8.251 1.00 0.00 O ATOM 0 H SER A 103 -6.723 11.298 5.734 1.00 0.00 H new ATOM 0 HA SER A 103 -5.618 12.453 7.885 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.031 13.693 6.384 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.442 12.750 6.821 1.00 0.00 H new ATOM 0 HG SER A 103 -8.389 14.805 7.903 1.00 0.00 H new ATOM 1494 N ARG A 104 -8.144 10.563 8.823 1.00 0.00 N ATOM 1495 CA ARG A 104 -8.762 9.910 9.964 1.00 0.00 C ATOM 1496 C ARG A 104 -7.697 9.237 10.831 1.00 0.00 C ATOM 1497 O ARG A 104 -7.633 9.473 12.037 1.00 0.00 O ATOM 1498 CB ARG A 104 -9.781 8.861 9.513 1.00 0.00 C ATOM 1499 CG ARG A 104 -10.788 9.462 8.530 1.00 0.00 C ATOM 1500 CD ARG A 104 -11.031 8.520 7.349 1.00 0.00 C ATOM 1501 NE ARG A 104 -11.969 9.143 6.389 1.00 0.00 N ATOM 1502 CZ ARG A 104 -13.304 9.089 6.502 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -13.864 8.442 7.533 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -14.078 9.684 5.583 1.00 0.00 N ATOM 0 H ARG A 104 -8.532 10.297 7.918 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.278 10.675 10.545 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.264 8.025 9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.307 8.463 10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.730 9.658 9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.418 10.420 8.165 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.087 8.294 6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.438 7.574 7.706 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.576 9.644 5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.275 7.990 8.232 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.880 8.401 7.619 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.651 10.177 4.799 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.094 9.643 5.668 1.00 0.00 H new ATOM 1518 N PHE A 105 -6.888 8.410 10.184 1.00 0.00 N ATOM 1519 CA PHE A 105 -5.829 7.701 10.882 1.00 0.00 C ATOM 1520 C PHE A 105 -4.746 8.669 11.363 1.00 0.00 C ATOM 1521 O PHE A 105 -4.192 8.497 12.448 1.00 0.00 O ATOM 1522 CB PHE A 105 -5.213 6.721 9.882 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.185 5.650 9.381 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -6.959 5.892 8.289 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -6.276 4.458 10.028 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.861 4.899 7.824 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.178 3.464 9.563 1.00 0.00 C ATOM 1528 CZ PHE A 105 -7.951 3.706 8.471 1.00 0.00 C ATOM 0 H PHE A 105 -6.945 8.215 9.184 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.235 7.190 11.755 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.833 7.281 9.027 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.358 6.232 10.348 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.887 6.839 7.776 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.662 4.267 10.896 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.475 5.091 6.957 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.250 2.517 10.077 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.637 2.951 8.117 1.00 0.00 H new ATOM 1538 N GLU A 106 -4.475 9.664 10.531 1.00 0.00 N ATOM 1539 CA GLU A 106 -3.468 10.659 10.858 1.00 0.00 C ATOM 1540 C GLU A 106 -3.570 11.054 12.333 1.00 0.00 C ATOM 1541 O GLU A 106 -2.601 10.934 13.080 1.00 0.00 O ATOM 1542 CB GLU A 106 -3.594 11.885 9.952 1.00 0.00 C ATOM 1543 CG GLU A 106 -2.456 11.932 8.931 1.00 0.00 C ATOM 1544 CD GLU A 106 -1.093 11.876 9.625 1.00 0.00 C ATOM 1545 OE1 GLU A 106 -0.716 12.910 10.217 1.00 0.00 O ATOM 1546 OE2 GLU A 106 -0.461 10.801 9.547 1.00 0.00 O ATOM 0 H GLU A 106 -4.935 9.802 9.631 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.485 10.221 10.687 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.552 11.861 9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.582 12.791 10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.550 11.096 8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.530 12.845 8.340 1.00 0.00 H new ATOM 1553 N SER A 107 -4.754 11.517 12.707 1.00 0.00 N ATOM 1554 CA SER A 107 -4.995 11.931 14.079 1.00 0.00 C ATOM 1555 C SER A 107 -4.467 10.870 15.046 1.00 0.00 C ATOM 1556 O SER A 107 -3.657 11.171 15.922 1.00 0.00 O ATOM 1557 CB SER A 107 -6.485 12.178 14.325 1.00 0.00 C ATOM 1558 OG SER A 107 -6.703 13.192 15.303 1.00 0.00 O ATOM 0 H SER A 107 -5.556 11.615 12.084 1.00 0.00 H new ATOM 0 HA SER A 107 -4.465 12.867 14.252 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.964 12.467 13.390 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.957 11.251 14.652 1.00 0.00 H new ATOM 0 HG SER A 107 -7.666 13.322 15.431 1.00 0.00 H new ATOM 1564 N SER A 108 -4.945 9.649 14.855 1.00 0.00 N ATOM 1565 CA SER A 108 -4.531 8.542 15.699 1.00 0.00 C ATOM 1566 C SER A 108 -3.004 8.449 15.730 1.00 0.00 C ATOM 1567 O SER A 108 -2.389 7.962 14.782 1.00 0.00 O ATOM 1568 CB SER A 108 -5.133 7.222 15.212 1.00 0.00 C ATOM 1569 OG SER A 108 -6.294 6.859 15.953 1.00 0.00 O ATOM 0 H SER A 108 -5.616 9.402 14.127 1.00 0.00 H new ATOM 0 HA SER A 108 -4.898 8.727 16.709 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.389 7.308 14.156 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.388 6.431 15.296 1.00 0.00 H new ATOM 0 HG SER A 108 -6.649 6.012 15.611 1.00 0.00 H new ATOM 1575 N GLY A 109 -2.436 8.925 16.828 1.00 0.00 N ATOM 1576 CA GLY A 109 -0.993 8.902 16.994 1.00 0.00 C ATOM 1577 C GLY A 109 -0.588 7.975 18.142 1.00 0.00 C ATOM 1578 O GLY A 109 -1.393 7.173 18.611 1.00 0.00 O ATOM 0 H GLY A 109 -2.949 9.329 17.612 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.522 8.569 16.069 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.630 9.911 17.191 1.00 0.00 H new ATOM 1582 N PRO A 110 0.694 8.119 18.572 1.00 0.00 N ATOM 1583 CA PRO A 110 1.217 7.304 19.656 1.00 0.00 C ATOM 1584 C PRO A 110 0.674 7.775 21.007 1.00 0.00 C ATOM 1585 O PRO A 110 1.440 8.163 21.887 1.00 0.00 O ATOM 1586 CB PRO A 110 2.728 7.427 19.548 1.00 0.00 C ATOM 1587 CG PRO A 110 2.986 8.667 18.707 1.00 0.00 C ATOM 1588 CD PRO A 110 1.677 9.059 18.040 1.00 0.00 C ATOM 0 HA PRO A 110 0.910 6.261 19.583 1.00 0.00 H new ATOM 0 HB2 PRO A 110 3.184 7.522 20.534 1.00 0.00 H new ATOM 0 HB3 PRO A 110 3.160 6.542 19.081 1.00 0.00 H new ATOM 0 HG2 PRO A 110 3.355 9.481 19.331 1.00 0.00 H new ATOM 0 HG3 PRO A 110 3.752 8.467 17.957 1.00 0.00 H new ATOM 0 HD2 PRO A 110 1.407 10.089 18.273 1.00 0.00 H new ATOM 0 HD3 PRO A 110 1.748 8.986 16.955 1.00 0.00 H new ATOM 1596 N SER A 111 -0.645 7.726 21.128 1.00 0.00 N ATOM 1597 CA SER A 111 -1.299 8.143 22.357 1.00 0.00 C ATOM 1598 C SER A 111 -1.402 6.960 23.322 1.00 0.00 C ATOM 1599 O SER A 111 -2.228 6.069 23.132 1.00 0.00 O ATOM 1600 CB SER A 111 -2.688 8.718 22.073 1.00 0.00 C ATOM 1601 OG SER A 111 -2.621 9.940 21.342 1.00 0.00 O ATOM 0 H SER A 111 -1.278 7.404 20.396 1.00 0.00 H new ATOM 0 HA SER A 111 -0.697 8.927 22.816 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.273 7.991 21.510 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.210 8.887 23.015 1.00 0.00 H new ATOM 0 HG SER A 111 -3.528 10.274 21.179 1.00 0.00 H new ATOM 1607 N SER A 112 -0.550 6.991 24.337 1.00 0.00 N ATOM 1608 CA SER A 112 -0.534 5.932 25.332 1.00 0.00 C ATOM 1609 C SER A 112 -1.276 6.387 26.591 1.00 0.00 C ATOM 1610 O SER A 112 -2.249 5.758 27.003 1.00 0.00 O ATOM 1611 CB SER A 112 0.899 5.524 25.679 1.00 0.00 C ATOM 1612 OG SER A 112 1.602 5.028 24.543 1.00 0.00 O ATOM 0 H SER A 112 0.133 7.732 24.491 1.00 0.00 H new ATOM 0 HA SER A 112 -1.039 5.061 24.914 1.00 0.00 H new ATOM 0 HB2 SER A 112 1.431 6.382 26.089 1.00 0.00 H new ATOM 0 HB3 SER A 112 0.880 4.760 26.456 1.00 0.00 H new ATOM 0 HG SER A 112 2.513 4.780 24.805 1.00 0.00 H new ATOM 1618 N GLY A 113 -0.787 7.476 27.166 1.00 0.00 N ATOM 1619 CA GLY A 113 -1.391 8.022 28.369 1.00 0.00 C ATOM 1620 C GLY A 113 -0.373 8.830 29.176 1.00 0.00 C ATOM 1621 O GLY A 113 -0.442 8.874 30.403 1.00 0.00 O ATOM 0 H GLY A 113 0.021 7.995 26.821 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.234 8.658 28.100 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.786 7.212 28.982 1.00 0.00 H new TER 1625 GLY A 113