USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 702 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 33 THR OG1 : rot 136:sc= 1.01 USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= 0.219 USER MOD Set 2.1: A 13 ASN : amide:sc= 0.837 K(o=2,f=-2!) USER MOD Set 2.2: A 25 TYR OH : rot -151:sc= 1.21 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 1.09 (180deg=-0.4) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 63:sc= 1.17 USER MOD Single : A 9 LYS NZ :NH3+ 151:sc= 1.25 (180deg=0.231) USER MOD Single : A 17 THR OG1 : rot 63:sc= 1.26 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -173:sc= -0.635 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0801 X(o=-0.08,f=-0.08) USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 65 GLN : amide:sc= -0.269 K(o=-0.27,f=-0.98) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0244) USER MOD Single : A 84 THR OG1 : rot -71:sc= 0.954 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.735 -6.736 -10.921 1.00 0.00 N ATOM 2 CA GLY A 1 -4.596 -7.807 -9.917 1.00 0.00 C ATOM 3 C GLY A 1 -5.953 -8.242 -9.380 1.00 0.00 C ATOM 4 O GLY A 1 -6.975 -7.626 -9.685 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.178 -6.977 -11.765 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.736 -6.635 -11.184 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.389 -5.840 -10.523 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.088 -8.662 -10.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.972 -7.458 -9.094 1.00 0.00 H new ATOM 8 N SER A 2 -6.005 -9.343 -8.622 1.00 0.00 N ATOM 9 CA SER A 2 -7.259 -9.948 -8.179 1.00 0.00 C ATOM 10 C SER A 2 -7.048 -10.744 -6.879 1.00 0.00 C ATOM 11 O SER A 2 -5.919 -11.126 -6.546 1.00 0.00 O ATOM 12 CB SER A 2 -7.767 -10.821 -9.338 1.00 0.00 C ATOM 13 OG SER A 2 -9.071 -11.302 -9.102 1.00 0.00 O ATOM 0 H SER A 2 -5.174 -9.839 -8.299 1.00 0.00 H new ATOM 0 HA SER A 2 -8.008 -9.193 -7.940 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.755 -10.241 -10.261 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.090 -11.663 -9.482 1.00 0.00 H new ATOM 0 HG SER A 2 -9.360 -11.851 -9.861 1.00 0.00 H new ATOM 19 N SER A 3 -8.116 -10.963 -6.106 1.00 0.00 N ATOM 20 CA SER A 3 -8.078 -11.637 -4.809 1.00 0.00 C ATOM 21 C SER A 3 -7.893 -13.146 -4.988 1.00 0.00 C ATOM 22 O SER A 3 -8.345 -13.733 -5.978 1.00 0.00 O ATOM 23 CB SER A 3 -9.354 -11.290 -4.025 1.00 0.00 C ATOM 24 OG SER A 3 -9.363 -11.848 -2.724 1.00 0.00 O ATOM 0 H SER A 3 -9.055 -10.668 -6.374 1.00 0.00 H new ATOM 0 HA SER A 3 -7.221 -11.288 -4.233 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.448 -10.206 -3.952 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.223 -11.649 -4.576 1.00 0.00 H new ATOM 0 HG SER A 3 -10.193 -11.598 -2.266 1.00 0.00 H new ATOM 30 N GLY A 4 -7.262 -13.790 -4.009 1.00 0.00 N ATOM 31 CA GLY A 4 -6.955 -15.209 -3.993 1.00 0.00 C ATOM 32 C GLY A 4 -5.780 -15.450 -3.054 1.00 0.00 C ATOM 33 O GLY A 4 -5.465 -14.607 -2.204 1.00 0.00 O ATOM 0 H GLY A 4 -6.938 -13.310 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.824 -15.779 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.711 -15.553 -4.998 1.00 0.00 H new ATOM 37 N SER A 5 -5.130 -16.602 -3.194 1.00 0.00 N ATOM 38 CA SER A 5 -3.814 -16.853 -2.625 1.00 0.00 C ATOM 39 C SER A 5 -2.824 -15.780 -3.098 1.00 0.00 C ATOM 40 O SER A 5 -2.910 -15.357 -4.253 1.00 0.00 O ATOM 41 CB SER A 5 -3.358 -18.228 -3.109 1.00 0.00 C ATOM 42 OG SER A 5 -4.304 -19.230 -2.757 1.00 0.00 O ATOM 0 H SER A 5 -5.509 -17.395 -3.712 1.00 0.00 H new ATOM 0 HA SER A 5 -3.856 -16.822 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.225 -18.212 -4.191 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.388 -18.468 -2.673 1.00 0.00 H new ATOM 0 HG SER A 5 -3.992 -20.102 -3.078 1.00 0.00 H new ATOM 48 N SER A 6 -1.889 -15.370 -2.229 1.00 0.00 N ATOM 49 CA SER A 6 -0.749 -14.495 -2.538 1.00 0.00 C ATOM 50 C SER A 6 0.084 -14.080 -1.322 1.00 0.00 C ATOM 51 O SER A 6 1.159 -13.516 -1.530 1.00 0.00 O ATOM 52 CB SER A 6 -1.162 -13.235 -3.321 1.00 0.00 C ATOM 53 OG SER A 6 -1.052 -13.523 -4.700 1.00 0.00 O ATOM 0 H SER A 6 -1.908 -15.652 -1.249 1.00 0.00 H new ATOM 0 HA SER A 6 -0.116 -15.121 -3.166 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.184 -12.949 -3.072 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.522 -12.394 -3.055 1.00 0.00 H new ATOM 0 HG SER A 6 -1.681 -14.236 -4.936 1.00 0.00 H new ATOM 59 N GLY A 7 -0.351 -14.368 -0.092 1.00 0.00 N ATOM 60 CA GLY A 7 0.474 -14.241 1.099 1.00 0.00 C ATOM 61 C GLY A 7 0.678 -12.790 1.499 1.00 0.00 C ATOM 62 O GLY A 7 -0.136 -12.230 2.232 1.00 0.00 O ATOM 0 H GLY A 7 -1.297 -14.699 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.007 -14.782 1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.443 -14.707 0.920 1.00 0.00 H new ATOM 66 N PHE A 8 1.751 -12.184 0.990 1.00 0.00 N ATOM 67 CA PHE A 8 2.210 -10.834 1.296 1.00 0.00 C ATOM 68 C PHE A 8 1.076 -9.812 1.291 1.00 0.00 C ATOM 69 O PHE A 8 0.936 -9.047 2.244 1.00 0.00 O ATOM 70 CB PHE A 8 3.274 -10.454 0.265 1.00 0.00 C ATOM 71 CG PHE A 8 3.635 -8.985 0.236 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.357 -8.426 1.301 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.223 -8.166 -0.832 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.667 -7.058 1.295 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.554 -6.802 -0.841 1.00 0.00 C ATOM 76 CZ PHE A 8 4.272 -6.244 0.226 1.00 0.00 C ATOM 0 H PHE A 8 2.356 -12.651 0.315 1.00 0.00 H new ATOM 0 HA PHE A 8 2.622 -10.825 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.176 -11.031 0.466 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.922 -10.747 -0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.674 -9.048 2.125 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.651 -8.588 -1.646 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.215 -6.629 2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.255 -6.181 -1.672 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.519 -5.193 0.224 1.00 0.00 H new ATOM 86 N LYS A 9 0.259 -9.798 0.234 1.00 0.00 N ATOM 87 CA LYS A 9 -0.775 -8.784 0.062 1.00 0.00 C ATOM 88 C LYS A 9 -1.758 -8.756 1.237 1.00 0.00 C ATOM 89 O LYS A 9 -2.280 -7.693 1.561 1.00 0.00 O ATOM 90 CB LYS A 9 -1.497 -9.004 -1.279 1.00 0.00 C ATOM 91 CG LYS A 9 -2.198 -7.724 -1.746 1.00 0.00 C ATOM 92 CD LYS A 9 -3.067 -7.949 -2.985 1.00 0.00 C ATOM 93 CE LYS A 9 -3.676 -6.599 -3.361 1.00 0.00 C ATOM 94 NZ LYS A 9 -4.580 -6.644 -4.528 1.00 0.00 N ATOM 0 H LYS A 9 0.298 -10.485 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.295 -7.805 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.779 -9.325 -2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.229 -9.805 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.818 -7.338 -0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.449 -6.963 -1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.470 -8.344 -3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.849 -8.680 -2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.227 -6.211 -2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.870 -5.895 -3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.298 -5.897 -4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.031 -6.495 -5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.048 -7.572 -4.569 1.00 0.00 H new ATOM 108 N ALA A 10 -2.027 -9.891 1.882 1.00 0.00 N ATOM 109 CA ALA A 10 -2.950 -9.957 3.003 1.00 0.00 C ATOM 110 C ALA A 10 -2.334 -9.368 4.266 1.00 0.00 C ATOM 111 O ALA A 10 -3.009 -8.632 4.984 1.00 0.00 O ATOM 112 CB ALA A 10 -3.345 -11.410 3.220 1.00 0.00 C ATOM 0 H ALA A 10 -1.608 -10.788 1.638 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.835 -9.363 2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.038 -11.477 4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.825 -11.795 2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.455 -12.001 3.437 1.00 0.00 H new ATOM 118 N GLU A 11 -1.064 -9.668 4.536 1.00 0.00 N ATOM 119 CA GLU A 11 -0.331 -9.097 5.662 1.00 0.00 C ATOM 120 C GLU A 11 -0.206 -7.588 5.516 1.00 0.00 C ATOM 121 O GLU A 11 -0.399 -6.843 6.475 1.00 0.00 O ATOM 122 CB GLU A 11 1.095 -9.671 5.701 1.00 0.00 C ATOM 123 CG GLU A 11 1.223 -10.967 6.481 1.00 0.00 C ATOM 124 CD GLU A 11 0.816 -10.769 7.939 1.00 0.00 C ATOM 125 OE1 GLU A 11 1.330 -9.858 8.624 1.00 0.00 O ATOM 126 OE2 GLU A 11 -0.134 -11.458 8.374 1.00 0.00 O ATOM 0 H GLU A 11 -0.513 -10.318 3.976 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.879 -9.343 6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.435 -9.840 4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.762 -8.929 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.596 -11.734 6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.251 -11.325 6.432 1.00 0.00 H new ATOM 133 N LEU A 12 0.168 -7.146 4.320 1.00 0.00 N ATOM 134 CA LEU A 12 0.380 -5.748 4.012 1.00 0.00 C ATOM 135 C LEU A 12 -0.944 -4.980 4.103 1.00 0.00 C ATOM 136 O LEU A 12 -0.966 -3.863 4.609 1.00 0.00 O ATOM 137 CB LEU A 12 0.996 -5.676 2.612 1.00 0.00 C ATOM 138 CG LEU A 12 1.508 -4.266 2.269 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.888 -4.001 2.892 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.533 -4.114 0.750 1.00 0.00 C ATOM 0 H LEU A 12 0.334 -7.766 3.527 1.00 0.00 H new ATOM 0 HA LEU A 12 1.057 -5.282 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.820 -6.386 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.253 -5.979 1.875 1.00 0.00 H new ATOM 0 HG LEU A 12 0.835 -3.521 2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.219 -2.996 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.821 -4.089 3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.604 -4.730 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.894 -3.119 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.196 -4.865 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.527 -4.250 0.354 1.00 0.00 H new ATOM 152 N ASN A 13 -2.056 -5.575 3.655 1.00 0.00 N ATOM 153 CA ASN A 13 -3.374 -4.948 3.744 1.00 0.00 C ATOM 154 C ASN A 13 -3.828 -4.824 5.197 1.00 0.00 C ATOM 155 O ASN A 13 -4.341 -3.777 5.589 1.00 0.00 O ATOM 156 CB ASN A 13 -4.387 -5.759 2.933 1.00 0.00 C ATOM 157 CG ASN A 13 -5.669 -4.988 2.676 1.00 0.00 C ATOM 158 OD1 ASN A 13 -5.627 -3.819 2.315 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.822 -5.622 2.779 1.00 0.00 N ATOM 0 H ASN A 13 -2.065 -6.499 3.224 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.308 -3.942 3.331 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.941 -6.045 1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.621 -6.681 3.465 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.692 -5.138 2.557 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.843 -6.596 3.081 1.00 0.00 H new ATOM 166 N GLU A 14 -3.608 -5.866 6.005 1.00 0.00 N ATOM 167 CA GLU A 14 -3.812 -5.824 7.460 1.00 0.00 C ATOM 168 C GLU A 14 -2.997 -4.692 8.093 1.00 0.00 C ATOM 169 O GLU A 14 -3.526 -3.961 8.935 1.00 0.00 O ATOM 170 CB GLU A 14 -3.397 -7.167 8.101 1.00 0.00 C ATOM 171 CG GLU A 14 -4.572 -8.118 8.348 1.00 0.00 C ATOM 172 CD GLU A 14 -5.475 -7.678 9.505 1.00 0.00 C ATOM 173 OE1 GLU A 14 -4.973 -7.362 10.605 1.00 0.00 O ATOM 174 OE2 GLU A 14 -6.715 -7.640 9.335 1.00 0.00 O ATOM 0 H GLU A 14 -3.281 -6.771 5.667 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.872 -5.645 7.642 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.671 -7.660 7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.896 -6.968 9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.168 -8.191 7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.185 -9.115 8.557 1.00 0.00 H new ATOM 181 N PHE A 15 -1.719 -4.563 7.718 1.00 0.00 N ATOM 182 CA PHE A 15 -0.821 -3.532 8.224 1.00 0.00 C ATOM 183 C PHE A 15 -1.394 -2.150 7.894 1.00 0.00 C ATOM 184 O PHE A 15 -1.704 -1.374 8.798 1.00 0.00 O ATOM 185 CB PHE A 15 0.602 -3.742 7.661 1.00 0.00 C ATOM 186 CG PHE A 15 1.545 -2.569 7.872 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.029 -2.266 9.159 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.902 -1.746 6.785 1.00 0.00 C ATOM 189 CE1 PHE A 15 2.838 -1.133 9.358 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.694 -0.603 6.985 1.00 0.00 C ATOM 191 CZ PHE A 15 3.163 -0.298 8.274 1.00 0.00 C ATOM 0 H PHE A 15 -1.277 -5.186 7.042 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.741 -3.601 9.309 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.035 -4.628 8.126 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.530 -3.945 6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.779 -2.904 9.994 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.564 -1.996 5.790 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.211 -0.904 10.345 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.941 0.038 6.152 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.774 0.579 8.432 1.00 0.00 H new ATOM 201 N LEU A 16 -1.547 -1.855 6.601 1.00 0.00 N ATOM 202 CA LEU A 16 -1.958 -0.551 6.088 1.00 0.00 C ATOM 203 C LEU A 16 -3.346 -0.143 6.571 1.00 0.00 C ATOM 204 O LEU A 16 -3.572 1.046 6.774 1.00 0.00 O ATOM 205 CB LEU A 16 -1.980 -0.592 4.557 1.00 0.00 C ATOM 206 CG LEU A 16 -0.593 -0.655 3.902 1.00 0.00 C ATOM 207 CD1 LEU A 16 -0.768 -1.090 2.447 1.00 0.00 C ATOM 208 CD2 LEU A 16 0.135 0.694 3.989 1.00 0.00 C ATOM 0 H LEU A 16 -1.383 -2.539 5.862 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.238 0.179 6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.558 -1.459 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.501 0.292 4.190 1.00 0.00 H new ATOM 0 HG LEU A 16 0.025 -1.377 4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.207 -1.141 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.241 -2.072 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.395 -0.368 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.113 0.611 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.452 1.458 3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.261 0.972 5.035 1.00 0.00 H new ATOM 220 N THR A 17 -4.261 -1.094 6.784 1.00 0.00 N ATOM 221 CA THR A 17 -5.581 -0.799 7.328 1.00 0.00 C ATOM 222 C THR A 17 -5.458 -0.038 8.649 1.00 0.00 C ATOM 223 O THR A 17 -6.158 0.951 8.845 1.00 0.00 O ATOM 224 CB THR A 17 -6.386 -2.100 7.473 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.670 -2.626 6.189 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.717 -1.902 8.193 1.00 0.00 C ATOM 0 H THR A 17 -4.105 -2.082 6.584 1.00 0.00 H new ATOM 0 HA THR A 17 -6.124 -0.151 6.640 1.00 0.00 H new ATOM 0 HB THR A 17 -5.771 -2.778 8.066 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.831 -2.856 5.737 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.238 -2.857 8.264 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.534 -1.513 9.195 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.331 -1.194 7.635 1.00 0.00 H new ATOM 234 N ARG A 18 -4.573 -0.478 9.548 1.00 0.00 N ATOM 235 CA ARG A 18 -4.306 0.245 10.775 1.00 0.00 C ATOM 236 C ARG A 18 -3.644 1.581 10.478 1.00 0.00 C ATOM 237 O ARG A 18 -4.062 2.595 11.033 1.00 0.00 O ATOM 238 CB ARG A 18 -3.413 -0.608 11.687 1.00 0.00 C ATOM 239 CG ARG A 18 -4.169 -1.138 12.903 1.00 0.00 C ATOM 240 CD ARG A 18 -4.571 -2.615 12.827 1.00 0.00 C ATOM 241 NE ARG A 18 -5.704 -2.881 11.923 1.00 0.00 N ATOM 242 CZ ARG A 18 -7.001 -2.750 12.236 1.00 0.00 C ATOM 243 NH1 ARG A 18 -7.386 -2.150 13.358 1.00 0.00 N ATOM 244 NH2 ARG A 18 -7.926 -3.235 11.417 1.00 0.00 N ATOM 0 H ARG A 18 -4.032 -1.336 9.440 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.250 0.444 11.283 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.011 -1.446 11.118 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.563 -0.012 12.021 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.550 -0.991 13.788 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.069 -0.539 13.041 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.711 -3.199 12.497 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.828 -2.963 13.827 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.482 -3.192 10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.689 -1.777 14.002 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.379 -2.062 13.575 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.648 -3.704 10.555 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.914 -3.138 11.650 1.00 0.00 H new ATOM 258 N GLU A 19 -2.586 1.580 9.667 1.00 0.00 N ATOM 259 CA GLU A 19 -1.773 2.768 9.414 1.00 0.00 C ATOM 260 C GLU A 19 -2.601 3.941 8.899 1.00 0.00 C ATOM 261 O GLU A 19 -2.308 5.087 9.230 1.00 0.00 O ATOM 262 CB GLU A 19 -0.677 2.437 8.389 1.00 0.00 C ATOM 263 CG GLU A 19 0.443 1.540 8.924 1.00 0.00 C ATOM 264 CD GLU A 19 1.077 2.034 10.228 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.325 3.248 10.398 1.00 0.00 O ATOM 266 OE2 GLU A 19 1.307 1.207 11.141 1.00 0.00 O ATOM 0 H GLU A 19 -2.268 0.751 9.165 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.332 3.065 10.365 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.137 1.949 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.239 3.369 8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.045 0.538 9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.220 1.457 8.164 1.00 0.00 H new ATOM 273 N LEU A 20 -3.623 3.657 8.092 1.00 0.00 N ATOM 274 CA LEU A 20 -4.360 4.632 7.299 1.00 0.00 C ATOM 275 C LEU A 20 -5.845 4.616 7.673 1.00 0.00 C ATOM 276 O LEU A 20 -6.704 4.970 6.853 1.00 0.00 O ATOM 277 CB LEU A 20 -4.116 4.310 5.819 1.00 0.00 C ATOM 278 CG LEU A 20 -2.650 4.405 5.368 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.582 3.875 3.935 1.00 0.00 C ATOM 280 CD2 LEU A 20 -2.106 5.837 5.441 1.00 0.00 C ATOM 0 H LEU A 20 -3.971 2.706 7.970 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.013 5.646 7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.478 3.302 5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.712 4.990 5.211 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.026 3.814 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.554 3.926 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.923 2.840 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.221 4.481 3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.067 5.849 5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.699 6.485 4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.165 6.197 6.468 1.00 0.00 H new ATOM 292 N ALA A 21 -6.141 4.176 8.903 1.00 0.00 N ATOM 293 CA ALA A 21 -7.479 3.948 9.415 1.00 0.00 C ATOM 294 C ALA A 21 -8.359 5.174 9.183 1.00 0.00 C ATOM 295 O ALA A 21 -9.360 5.089 8.464 1.00 0.00 O ATOM 296 CB ALA A 21 -7.409 3.564 10.900 1.00 0.00 C ATOM 0 H ALA A 21 -5.417 3.963 9.589 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.936 3.119 8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.416 3.394 11.280 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.820 2.654 11.013 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.941 4.371 11.463 1.00 0.00 H new ATOM 302 N GLU A 22 -8.021 6.312 9.786 1.00 0.00 N ATOM 303 CA GLU A 22 -8.775 7.543 9.603 1.00 0.00 C ATOM 304 C GLU A 22 -8.464 8.209 8.260 1.00 0.00 C ATOM 305 O GLU A 22 -9.333 8.907 7.739 1.00 0.00 O ATOM 306 CB GLU A 22 -8.489 8.490 10.781 1.00 0.00 C ATOM 307 CG GLU A 22 -9.716 8.591 11.690 1.00 0.00 C ATOM 308 CD GLU A 22 -10.854 9.366 11.023 1.00 0.00 C ATOM 309 OE1 GLU A 22 -10.707 10.591 10.814 1.00 0.00 O ATOM 310 OE2 GLU A 22 -11.888 8.752 10.666 1.00 0.00 O ATOM 0 H GLU A 22 -7.220 6.403 10.411 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.838 7.303 9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.635 8.125 11.351 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.223 9.478 10.406 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.061 7.590 11.948 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.438 9.083 12.622 1.00 0.00 H new ATOM 317 N ASP A 23 -7.288 7.969 7.665 1.00 0.00 N ATOM 318 CA ASP A 23 -6.851 8.657 6.441 1.00 0.00 C ATOM 319 C ASP A 23 -7.830 8.434 5.299 1.00 0.00 C ATOM 320 O ASP A 23 -8.039 9.338 4.488 1.00 0.00 O ATOM 321 CB ASP A 23 -5.476 8.187 5.946 1.00 0.00 C ATOM 322 CG ASP A 23 -4.347 8.591 6.885 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.335 8.091 8.037 1.00 0.00 O ATOM 324 OD2 ASP A 23 -3.490 9.404 6.493 1.00 0.00 O ATOM 0 H ASP A 23 -6.612 7.292 8.018 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.799 9.710 6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.484 7.102 5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.288 8.604 4.957 1.00 0.00 H new ATOM 329 N GLY A 24 -8.420 7.235 5.238 1.00 0.00 N ATOM 330 CA GLY A 24 -9.400 6.886 4.224 1.00 0.00 C ATOM 331 C GLY A 24 -8.981 5.692 3.377 1.00 0.00 C ATOM 332 O GLY A 24 -9.231 5.673 2.172 1.00 0.00 O ATOM 0 H GLY A 24 -8.225 6.482 5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.352 6.665 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.564 7.746 3.574 1.00 0.00 H new ATOM 336 N TYR A 25 -8.305 4.706 3.969 1.00 0.00 N ATOM 337 CA TYR A 25 -7.858 3.500 3.281 1.00 0.00 C ATOM 338 C TYR A 25 -9.022 2.705 2.672 1.00 0.00 C ATOM 339 O TYR A 25 -10.186 2.952 2.997 1.00 0.00 O ATOM 340 CB TYR A 25 -7.098 2.656 4.301 1.00 0.00 C ATOM 341 CG TYR A 25 -6.299 1.520 3.711 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.241 1.785 2.822 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.628 0.195 4.044 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.499 0.718 2.285 1.00 0.00 C ATOM 345 CE2 TYR A 25 -5.890 -0.869 3.505 1.00 0.00 C ATOM 346 CZ TYR A 25 -4.825 -0.600 2.624 1.00 0.00 C ATOM 347 OH TYR A 25 -4.124 -1.599 2.050 1.00 0.00 O ATOM 0 H TYR A 25 -8.050 4.726 4.956 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.219 3.775 2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.423 3.305 4.859 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.811 2.247 5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.000 2.803 2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.450 -0.004 4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.678 0.916 1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.137 -1.888 3.764 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.690 -2.396 1.976 1.00 0.00 H new ATOM 357 N SER A 26 -8.720 1.734 1.810 1.00 0.00 N ATOM 358 CA SER A 26 -9.673 0.796 1.225 1.00 0.00 C ATOM 359 C SER A 26 -8.995 -0.551 0.973 1.00 0.00 C ATOM 360 O SER A 26 -9.548 -1.618 1.265 1.00 0.00 O ATOM 361 CB SER A 26 -10.214 1.369 -0.097 1.00 0.00 C ATOM 362 OG SER A 26 -11.622 1.277 -0.113 1.00 0.00 O ATOM 0 H SER A 26 -7.765 1.575 1.488 1.00 0.00 H new ATOM 0 HA SER A 26 -10.501 0.647 1.918 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.906 2.409 -0.207 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.794 0.821 -0.941 1.00 0.00 H new ATOM 0 HG SER A 26 -11.964 1.644 -0.955 1.00 0.00 H new ATOM 368 N GLY A 27 -7.788 -0.512 0.415 1.00 0.00 N ATOM 369 CA GLY A 27 -7.066 -1.695 0.007 1.00 0.00 C ATOM 370 C GLY A 27 -5.779 -1.267 -0.666 1.00 0.00 C ATOM 371 O GLY A 27 -5.409 -0.092 -0.617 1.00 0.00 O ATOM 0 H GLY A 27 -7.285 0.357 0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.850 -2.323 0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.671 -2.290 -0.677 1.00 0.00 H new ATOM 375 N VAL A 28 -5.103 -2.218 -1.289 1.00 0.00 N ATOM 376 CA VAL A 28 -3.822 -2.019 -1.935 1.00 0.00 C ATOM 377 C VAL A 28 -3.803 -2.936 -3.152 1.00 0.00 C ATOM 378 O VAL A 28 -4.517 -3.939 -3.185 1.00 0.00 O ATOM 379 CB VAL A 28 -2.706 -2.270 -0.884 1.00 0.00 C ATOM 380 CG1 VAL A 28 -2.793 -3.657 -0.214 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.279 -2.073 -1.400 1.00 0.00 C ATOM 0 H VAL A 28 -5.443 -3.177 -1.360 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.649 -1.006 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.907 -1.494 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.983 -3.764 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.751 -3.755 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.706 -4.434 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.571 -2.271 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.092 -2.761 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.156 -1.047 -1.748 1.00 0.00 H new ATOM 391 N GLU A 29 -2.990 -2.606 -4.144 1.00 0.00 N ATOM 392 CA GLU A 29 -2.560 -3.462 -5.226 1.00 0.00 C ATOM 393 C GLU A 29 -1.055 -3.638 -5.111 1.00 0.00 C ATOM 394 O GLU A 29 -0.359 -2.834 -4.489 1.00 0.00 O ATOM 395 CB GLU A 29 -2.941 -2.855 -6.581 1.00 0.00 C ATOM 396 CG GLU A 29 -4.138 -3.569 -7.204 1.00 0.00 C ATOM 397 CD GLU A 29 -3.786 -4.960 -7.732 1.00 0.00 C ATOM 398 OE1 GLU A 29 -3.593 -5.901 -6.928 1.00 0.00 O ATOM 399 OE2 GLU A 29 -3.737 -5.101 -8.979 1.00 0.00 O ATOM 0 H GLU A 29 -2.590 -1.670 -4.214 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.054 -4.432 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.174 -1.798 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.089 -2.914 -7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.931 -3.657 -6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.532 -2.964 -8.020 1.00 0.00 H new ATOM 406 N VAL A 30 -0.551 -4.700 -5.722 1.00 0.00 N ATOM 407 CA VAL A 30 0.857 -5.027 -5.735 1.00 0.00 C ATOM 408 C VAL A 30 1.208 -5.488 -7.145 1.00 0.00 C ATOM 409 O VAL A 30 0.371 -6.063 -7.851 1.00 0.00 O ATOM 410 CB VAL A 30 1.138 -6.056 -4.617 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.266 -7.320 -4.708 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.614 -6.471 -4.534 1.00 0.00 C ATOM 0 H VAL A 30 -1.127 -5.370 -6.232 1.00 0.00 H new ATOM 0 HA VAL A 30 1.501 -4.176 -5.514 1.00 0.00 H new ATOM 0 HB VAL A 30 0.872 -5.522 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.519 -7.996 -3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.786 -7.042 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.446 -7.818 -5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.744 -7.195 -3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.919 -6.920 -5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.228 -5.593 -4.335 1.00 0.00 H new ATOM 422 N ARG A 31 2.449 -5.258 -7.561 1.00 0.00 N ATOM 423 CA ARG A 31 3.051 -5.914 -8.716 1.00 0.00 C ATOM 424 C ARG A 31 4.426 -6.385 -8.268 1.00 0.00 C ATOM 425 O ARG A 31 4.999 -5.832 -7.327 1.00 0.00 O ATOM 426 CB ARG A 31 3.152 -4.967 -9.929 1.00 0.00 C ATOM 427 CG ARG A 31 1.823 -4.278 -10.293 1.00 0.00 C ATOM 428 CD ARG A 31 1.970 -3.260 -11.427 1.00 0.00 C ATOM 429 NE ARG A 31 2.128 -3.874 -12.757 1.00 0.00 N ATOM 430 CZ ARG A 31 1.885 -3.242 -13.912 1.00 0.00 C ATOM 431 NH1 ARG A 31 1.626 -1.942 -13.939 1.00 0.00 N ATOM 432 NH2 ARG A 31 1.881 -3.918 -15.053 1.00 0.00 N ATOM 0 H ARG A 31 3.075 -4.600 -7.097 1.00 0.00 H new ATOM 0 HA ARG A 31 2.434 -6.749 -9.048 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.901 -4.203 -9.720 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.505 -5.533 -10.791 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.095 -5.035 -10.584 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.426 -3.776 -9.410 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.094 -2.612 -11.438 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.833 -2.626 -11.224 1.00 0.00 H new ATOM 0 HE ARG A 31 2.443 -4.843 -12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.610 -1.407 -13.071 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.443 -1.477 -14.828 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.063 -4.922 -15.052 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.696 -3.434 -15.932 1.00 0.00 H new ATOM 446 N VAL A 32 4.969 -7.386 -8.941 1.00 0.00 N ATOM 447 CA VAL A 32 6.339 -7.818 -8.764 1.00 0.00 C ATOM 448 C VAL A 32 6.844 -8.041 -10.174 1.00 0.00 C ATOM 449 O VAL A 32 6.186 -8.720 -10.968 1.00 0.00 O ATOM 450 CB VAL A 32 6.415 -9.026 -7.811 1.00 0.00 C ATOM 451 CG1 VAL A 32 5.706 -10.294 -8.311 1.00 0.00 C ATOM 452 CG2 VAL A 32 7.870 -9.347 -7.456 1.00 0.00 C ATOM 0 H VAL A 32 4.458 -7.929 -9.637 1.00 0.00 H new ATOM 0 HA VAL A 32 6.984 -7.094 -8.266 1.00 0.00 H new ATOM 0 HB VAL A 32 5.867 -8.713 -6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.815 -11.088 -7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.647 -10.083 -8.463 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.151 -10.612 -9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.900 -10.203 -6.782 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.423 -9.582 -8.365 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.324 -8.485 -6.967 1.00 0.00 H new ATOM 462 N THR A 33 7.931 -7.376 -10.527 1.00 0.00 N ATOM 463 CA THR A 33 8.400 -7.267 -11.894 1.00 0.00 C ATOM 464 C THR A 33 9.815 -7.866 -11.960 1.00 0.00 C ATOM 465 O THR A 33 10.365 -8.288 -10.935 1.00 0.00 O ATOM 466 CB THR A 33 8.252 -5.797 -12.349 1.00 0.00 C ATOM 467 OG1 THR A 33 9.329 -5.026 -11.869 1.00 0.00 O ATOM 468 CG2 THR A 33 6.931 -5.145 -11.922 1.00 0.00 C ATOM 0 H THR A 33 8.523 -6.887 -9.855 1.00 0.00 H new ATOM 0 HA THR A 33 7.810 -7.840 -12.609 1.00 0.00 H new ATOM 0 HB THR A 33 8.253 -5.823 -13.439 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.652 -4.436 -12.582 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.902 -4.115 -12.278 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.096 -5.701 -12.349 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.855 -5.155 -10.835 1.00 0.00 H new ATOM 476 N PRO A 34 10.454 -7.946 -13.136 1.00 0.00 N ATOM 477 CA PRO A 34 11.874 -8.247 -13.210 1.00 0.00 C ATOM 478 C PRO A 34 12.752 -7.074 -12.741 1.00 0.00 C ATOM 479 O PRO A 34 13.968 -7.130 -12.921 1.00 0.00 O ATOM 480 CB PRO A 34 12.110 -8.638 -14.664 1.00 0.00 C ATOM 481 CG PRO A 34 11.042 -7.888 -15.450 1.00 0.00 C ATOM 482 CD PRO A 34 9.925 -7.624 -14.450 1.00 0.00 C ATOM 0 HA PRO A 34 12.158 -9.053 -12.534 1.00 0.00 H new ATOM 0 HB2 PRO A 34 13.111 -8.357 -14.991 1.00 0.00 H new ATOM 0 HB3 PRO A 34 12.019 -9.715 -14.803 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.434 -6.956 -15.858 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.685 -8.480 -16.293 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.605 -6.583 -14.494 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.051 -8.236 -14.676 1.00 0.00 H new ATOM 490 N THR A 35 12.173 -6.003 -12.176 1.00 0.00 N ATOM 491 CA THR A 35 12.901 -4.788 -11.839 1.00 0.00 C ATOM 492 C THR A 35 12.696 -4.427 -10.363 1.00 0.00 C ATOM 493 O THR A 35 13.684 -4.136 -9.683 1.00 0.00 O ATOM 494 CB THR A 35 12.553 -3.660 -12.837 1.00 0.00 C ATOM 495 OG1 THR A 35 11.298 -3.067 -12.592 1.00 0.00 O ATOM 496 CG2 THR A 35 12.510 -4.174 -14.286 1.00 0.00 C ATOM 0 H THR A 35 11.181 -5.964 -11.942 1.00 0.00 H new ATOM 0 HA THR A 35 13.973 -4.951 -11.946 1.00 0.00 H new ATOM 0 HB THR A 35 13.345 -2.925 -12.697 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.135 -2.362 -13.253 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.262 -3.351 -14.957 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.484 -4.582 -14.556 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.753 -4.954 -14.373 1.00 0.00 H new ATOM 504 N ARG A 36 11.470 -4.478 -9.827 1.00 0.00 N ATOM 505 CA ARG A 36 11.177 -4.196 -8.420 1.00 0.00 C ATOM 506 C ARG A 36 9.815 -4.762 -8.024 1.00 0.00 C ATOM 507 O ARG A 36 9.054 -5.226 -8.875 1.00 0.00 O ATOM 508 CB ARG A 36 11.261 -2.678 -8.162 1.00 0.00 C ATOM 509 CG ARG A 36 10.261 -1.802 -8.932 1.00 0.00 C ATOM 510 CD ARG A 36 10.644 -0.323 -8.773 1.00 0.00 C ATOM 511 NE ARG A 36 11.822 0.044 -9.585 1.00 0.00 N ATOM 512 CZ ARG A 36 11.823 0.313 -10.900 1.00 0.00 C ATOM 513 NH1 ARG A 36 10.720 0.236 -11.630 1.00 0.00 N ATOM 514 NH2 ARG A 36 12.943 0.663 -11.508 1.00 0.00 N ATOM 0 H ARG A 36 10.641 -4.721 -10.370 1.00 0.00 H new ATOM 0 HA ARG A 36 11.922 -4.689 -7.795 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.119 -2.504 -7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.269 -2.344 -8.408 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.259 -2.076 -9.987 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.251 -1.969 -8.557 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.798 0.301 -9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.851 -0.115 -7.723 1.00 0.00 H new ATOM 0 HE ARG A 36 12.718 0.098 -9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.838 -0.034 -11.195 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.753 0.447 -12.627 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.812 0.730 -10.978 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.939 0.866 -12.508 1.00 0.00 H new ATOM 528 N THR A 37 9.489 -4.696 -6.738 1.00 0.00 N ATOM 529 CA THR A 37 8.119 -4.807 -6.274 1.00 0.00 C ATOM 530 C THR A 37 7.517 -3.398 -6.265 1.00 0.00 C ATOM 531 O THR A 37 8.219 -2.409 -6.041 1.00 0.00 O ATOM 532 CB THR A 37 8.121 -5.477 -4.894 1.00 0.00 C ATOM 533 OG1 THR A 37 8.798 -6.722 -4.981 1.00 0.00 O ATOM 534 CG2 THR A 37 6.700 -5.749 -4.378 1.00 0.00 C ATOM 0 H THR A 37 10.170 -4.564 -5.991 1.00 0.00 H new ATOM 0 HA THR A 37 7.504 -5.429 -6.925 1.00 0.00 H new ATOM 0 HB THR A 37 8.618 -4.795 -4.204 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.804 -7.154 -4.101 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.753 -6.224 -3.398 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.156 -4.808 -4.296 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.181 -6.409 -5.073 1.00 0.00 H new ATOM 542 N GLU A 38 6.211 -3.310 -6.489 1.00 0.00 N ATOM 543 CA GLU A 38 5.431 -2.084 -6.549 1.00 0.00 C ATOM 544 C GLU A 38 4.254 -2.270 -5.601 1.00 0.00 C ATOM 545 O GLU A 38 3.653 -3.347 -5.593 1.00 0.00 O ATOM 546 CB GLU A 38 4.899 -1.896 -7.972 1.00 0.00 C ATOM 547 CG GLU A 38 5.986 -1.758 -9.049 1.00 0.00 C ATOM 548 CD GLU A 38 5.345 -1.502 -10.411 1.00 0.00 C ATOM 549 OE1 GLU A 38 4.881 -0.362 -10.653 1.00 0.00 O ATOM 550 OE2 GLU A 38 5.232 -2.440 -11.229 1.00 0.00 O ATOM 0 H GLU A 38 5.638 -4.140 -6.642 1.00 0.00 H new ATOM 0 HA GLU A 38 6.032 -1.217 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.263 -2.745 -8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.268 -1.007 -7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.659 -0.939 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.589 -2.665 -9.087 1.00 0.00 H new ATOM 557 N ILE A 39 3.908 -1.241 -4.831 1.00 0.00 N ATOM 558 CA ILE A 39 2.851 -1.269 -3.826 1.00 0.00 C ATOM 559 C ILE A 39 2.000 -0.020 -4.052 1.00 0.00 C ATOM 560 O ILE A 39 2.528 1.090 -4.001 1.00 0.00 O ATOM 561 CB ILE A 39 3.476 -1.321 -2.412 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.306 -2.614 -2.207 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.361 -1.216 -1.360 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.098 -2.649 -0.896 1.00 0.00 C ATOM 0 H ILE A 39 4.372 -0.335 -4.893 1.00 0.00 H new ATOM 0 HA ILE A 39 2.221 -2.154 -3.911 1.00 0.00 H new ATOM 0 HB ILE A 39 4.159 -0.479 -2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.635 -3.472 -2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.000 -2.724 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.798 -1.252 -0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.827 -0.274 -1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.666 -2.047 -1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.651 -3.586 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.797 -1.813 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.411 -2.573 -0.054 1.00 0.00 H new ATOM 576 N ILE A 40 0.705 -0.183 -4.323 1.00 0.00 N ATOM 577 CA ILE A 40 -0.189 0.884 -4.745 1.00 0.00 C ATOM 578 C ILE A 40 -1.406 0.868 -3.814 1.00 0.00 C ATOM 579 O ILE A 40 -2.331 0.086 -4.024 1.00 0.00 O ATOM 580 CB ILE A 40 -0.578 0.719 -6.242 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.573 0.505 -7.257 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.332 1.989 -6.662 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.070 -0.938 -7.411 1.00 0.00 C ATOM 0 H ILE A 40 0.240 -1.088 -4.252 1.00 0.00 H new ATOM 0 HA ILE A 40 0.302 1.855 -4.671 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.159 -0.202 -6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.242 0.861 -8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.415 1.129 -6.959 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.622 1.910 -7.710 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.224 2.103 -6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.686 2.857 -6.529 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.875 -0.969 -8.146 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.440 -1.300 -6.452 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.249 -1.572 -7.745 1.00 0.00 H new ATOM 595 N ILE A 41 -1.407 1.682 -2.757 1.00 0.00 N ATOM 596 CA ILE A 41 -2.569 1.820 -1.873 1.00 0.00 C ATOM 597 C ILE A 41 -3.731 2.421 -2.678 1.00 0.00 C ATOM 598 O ILE A 41 -3.521 3.172 -3.627 1.00 0.00 O ATOM 599 CB ILE A 41 -2.186 2.635 -0.616 1.00 0.00 C ATOM 600 CG1 ILE A 41 -1.362 1.736 0.333 1.00 0.00 C ATOM 601 CG2 ILE A 41 -3.437 3.108 0.145 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.143 1.797 0.121 1.00 0.00 C ATOM 0 H ILE A 41 -0.610 2.260 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.903 0.850 -1.504 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.613 3.505 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.582 2.020 1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.691 0.704 0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.135 3.678 1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.042 3.739 -0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.022 2.243 0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.638 1.134 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.380 1.482 -0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.491 2.818 0.275 1.00 0.00 H new ATOM 614 N LEU A 42 -4.959 2.125 -2.259 1.00 0.00 N ATOM 615 CA LEU A 42 -6.220 2.627 -2.773 1.00 0.00 C ATOM 616 C LEU A 42 -6.885 3.361 -1.611 1.00 0.00 C ATOM 617 O LEU A 42 -7.321 2.698 -0.665 1.00 0.00 O ATOM 618 CB LEU A 42 -7.090 1.440 -3.230 1.00 0.00 C ATOM 619 CG LEU A 42 -6.460 0.585 -4.348 1.00 0.00 C ATOM 620 CD1 LEU A 42 -7.039 -0.829 -4.364 1.00 0.00 C ATOM 621 CD2 LEU A 42 -6.714 1.250 -5.698 1.00 0.00 C ATOM 0 H LEU A 42 -5.104 1.474 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.083 3.290 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.293 0.801 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.050 1.821 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.389 0.512 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.573 -1.404 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.843 -1.313 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.115 -0.780 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.269 0.647 -6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.788 1.335 -5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.267 2.244 -5.704 1.00 0.00 H new ATOM 633 N ALA A 43 -6.945 4.697 -1.649 1.00 0.00 N ATOM 634 CA ALA A 43 -7.554 5.484 -0.570 1.00 0.00 C ATOM 635 C ALA A 43 -8.398 6.648 -1.104 1.00 0.00 C ATOM 636 O ALA A 43 -8.199 7.131 -2.226 1.00 0.00 O ATOM 637 CB ALA A 43 -6.456 5.985 0.380 1.00 0.00 C ATOM 0 H ALA A 43 -6.578 5.258 -2.418 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.238 4.836 -0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.907 6.570 1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.927 5.133 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.753 6.609 -0.173 1.00 0.00 H new ATOM 643 N THR A 44 -9.333 7.134 -0.290 1.00 0.00 N ATOM 644 CA THR A 44 -10.244 8.221 -0.632 1.00 0.00 C ATOM 645 C THR A 44 -9.477 9.529 -0.865 1.00 0.00 C ATOM 646 O THR A 44 -9.867 10.304 -1.747 1.00 0.00 O ATOM 647 CB THR A 44 -11.264 8.424 0.502 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.528 8.629 1.682 1.00 0.00 O ATOM 649 CG2 THR A 44 -12.193 7.226 0.694 1.00 0.00 C ATOM 0 H THR A 44 -9.481 6.771 0.652 1.00 0.00 H new ATOM 0 HA THR A 44 -10.762 7.952 -1.552 1.00 0.00 H new ATOM 0 HB THR A 44 -11.901 9.272 0.251 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.138 8.653 2.448 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.888 7.432 1.508 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.752 7.048 -0.225 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.602 6.343 0.936 1.00 0.00 H new ATOM 657 N ARG A 45 -8.377 9.771 -0.132 1.00 0.00 N ATOM 658 CA ARG A 45 -7.652 11.048 -0.078 1.00 0.00 C ATOM 659 C ARG A 45 -6.147 10.795 -0.185 1.00 0.00 C ATOM 660 O ARG A 45 -5.457 10.742 0.837 1.00 0.00 O ATOM 661 CB ARG A 45 -7.992 11.782 1.239 1.00 0.00 C ATOM 662 CG ARG A 45 -9.490 12.040 1.445 1.00 0.00 C ATOM 663 CD ARG A 45 -9.825 12.393 2.898 1.00 0.00 C ATOM 664 NE ARG A 45 -11.208 11.998 3.184 1.00 0.00 N ATOM 665 CZ ARG A 45 -12.298 12.600 2.711 1.00 0.00 C ATOM 666 NH1 ARG A 45 -12.233 13.854 2.279 1.00 0.00 N ATOM 667 NH2 ARG A 45 -13.440 11.929 2.654 1.00 0.00 N ATOM 0 H ARG A 45 -7.955 9.056 0.460 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.956 11.676 -0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.617 11.194 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.464 12.736 1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.809 12.853 0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.053 11.155 1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.141 11.882 3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.698 13.463 3.063 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.347 11.195 3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.347 14.358 2.309 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.069 14.313 1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.479 10.960 2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.280 12.382 2.293 1.00 0.00 H new ATOM 681 N THR A 46 -5.621 10.629 -1.398 1.00 0.00 N ATOM 682 CA THR A 46 -4.215 10.311 -1.631 1.00 0.00 C ATOM 683 C THR A 46 -3.279 11.313 -0.927 1.00 0.00 C ATOM 684 O THR A 46 -2.262 10.883 -0.388 1.00 0.00 O ATOM 685 CB THR A 46 -3.922 10.168 -3.144 1.00 0.00 C ATOM 686 OG1 THR A 46 -4.511 11.216 -3.892 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.436 8.849 -3.743 1.00 0.00 C ATOM 0 H THR A 46 -6.167 10.713 -2.256 1.00 0.00 H new ATOM 0 HA THR A 46 -4.007 9.341 -1.179 1.00 0.00 H new ATOM 0 HB THR A 46 -2.835 10.198 -3.213 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.305 11.096 -4.842 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.197 8.815 -4.806 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.960 8.009 -3.237 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.516 8.786 -3.612 1.00 0.00 H new ATOM 695 N GLN A 47 -3.619 12.609 -0.829 1.00 0.00 N ATOM 696 CA GLN A 47 -2.744 13.592 -0.178 1.00 0.00 C ATOM 697 C GLN A 47 -2.485 13.260 1.295 1.00 0.00 C ATOM 698 O GLN A 47 -1.371 13.480 1.768 1.00 0.00 O ATOM 699 CB GLN A 47 -3.319 15.016 -0.303 1.00 0.00 C ATOM 700 CG GLN A 47 -2.360 16.139 0.125 1.00 0.00 C ATOM 701 CD GLN A 47 -1.104 16.189 -0.741 1.00 0.00 C ATOM 702 OE1 GLN A 47 -1.147 16.615 -1.895 1.00 0.00 O ATOM 703 NE2 GLN A 47 0.027 15.721 -0.238 1.00 0.00 N ATOM 0 H GLN A 47 -4.490 12.997 -1.191 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.788 13.547 -0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.613 15.184 -1.339 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.225 15.081 0.300 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.877 17.097 0.067 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.075 15.993 1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.053 15.370 0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.873 15.711 -0.808 1.00 0.00 H new ATOM 712 N ASN A 48 -3.477 12.730 2.021 1.00 0.00 N ATOM 713 CA ASN A 48 -3.293 12.359 3.427 1.00 0.00 C ATOM 714 C ASN A 48 -2.319 11.192 3.510 1.00 0.00 C ATOM 715 O ASN A 48 -1.383 11.229 4.306 1.00 0.00 O ATOM 716 CB ASN A 48 -4.622 12.000 4.113 1.00 0.00 C ATOM 717 CG ASN A 48 -5.415 13.250 4.456 1.00 0.00 C ATOM 718 OD1 ASN A 48 -6.267 13.701 3.550 1.00 0.00 O flip ATOM 719 ND2 ASN A 48 -5.239 13.861 5.507 1.00 0.00 N flip ATOM 0 H ASN A 48 -4.413 12.549 1.658 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.889 13.222 3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.212 11.360 3.457 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.424 11.430 5.021 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.580 13.505 6.199 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.752 14.724 5.687 1.00 0.00 H new ATOM 726 N VAL A 49 -2.509 10.192 2.648 1.00 0.00 N ATOM 727 CA VAL A 49 -1.678 8.995 2.590 1.00 0.00 C ATOM 728 C VAL A 49 -0.234 9.342 2.188 1.00 0.00 C ATOM 729 O VAL A 49 0.698 8.657 2.602 1.00 0.00 O ATOM 730 CB VAL A 49 -2.342 7.984 1.628 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.582 6.655 1.561 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.786 7.678 2.062 1.00 0.00 C ATOM 0 H VAL A 49 -3.260 10.194 1.958 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.607 8.537 3.576 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.327 8.454 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.089 5.980 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.565 6.834 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.550 6.204 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.231 6.964 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.782 7.254 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.370 8.599 2.059 1.00 0.00 H new ATOM 742 N LEU A 50 -0.027 10.397 1.393 1.00 0.00 N ATOM 743 CA LEU A 50 1.304 10.906 1.073 1.00 0.00 C ATOM 744 C LEU A 50 1.875 11.692 2.253 1.00 0.00 C ATOM 745 O LEU A 50 3.061 11.576 2.553 1.00 0.00 O ATOM 746 CB LEU A 50 1.251 11.792 -0.183 1.00 0.00 C ATOM 747 CG LEU A 50 0.930 11.017 -1.477 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.674 12.000 -2.622 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.058 10.064 -1.872 1.00 0.00 C ATOM 0 H LEU A 50 -0.783 10.922 0.953 1.00 0.00 H new ATOM 0 HA LEU A 50 1.959 10.058 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.498 12.567 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.210 12.297 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 50 0.038 10.420 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.448 11.446 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.170 12.642 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.561 12.613 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.787 9.540 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.974 10.632 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.218 9.339 -1.074 1.00 0.00 H new ATOM 761 N GLY A 51 1.047 12.487 2.927 1.00 0.00 N ATOM 762 CA GLY A 51 1.461 13.421 3.956 1.00 0.00 C ATOM 763 C GLY A 51 2.105 14.669 3.353 1.00 0.00 C ATOM 764 O GLY A 51 2.225 14.793 2.129 1.00 0.00 O ATOM 0 H GLY A 51 0.040 12.495 2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.598 13.709 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.168 12.934 4.628 1.00 0.00 H new ATOM 768 N GLU A 52 2.517 15.598 4.220 1.00 0.00 N ATOM 769 CA GLU A 52 3.154 16.848 3.820 1.00 0.00 C ATOM 770 C GLU A 52 4.398 16.541 2.984 1.00 0.00 C ATOM 771 O GLU A 52 5.360 15.939 3.470 1.00 0.00 O ATOM 772 CB GLU A 52 3.450 17.772 5.018 1.00 0.00 C ATOM 773 CG GLU A 52 4.361 18.939 4.577 1.00 0.00 C ATOM 774 CD GLU A 52 4.166 20.280 5.283 1.00 0.00 C ATOM 775 OE1 GLU A 52 3.492 20.371 6.336 1.00 0.00 O ATOM 776 OE2 GLU A 52 4.677 21.279 4.722 1.00 0.00 O ATOM 0 H GLU A 52 2.415 15.499 5.230 1.00 0.00 H new ATOM 0 HA GLU A 52 2.456 17.411 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.517 18.163 5.425 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.932 17.205 5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.397 18.631 4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.217 19.095 3.508 1.00 0.00 H new ATOM 783 N LYS A 53 4.346 16.943 1.709 1.00 0.00 N ATOM 784 CA LYS A 53 5.348 16.677 0.679 1.00 0.00 C ATOM 785 C LYS A 53 5.922 15.256 0.772 1.00 0.00 C ATOM 786 O LYS A 53 7.134 15.054 0.680 1.00 0.00 O ATOM 787 CB LYS A 53 6.423 17.778 0.682 1.00 0.00 C ATOM 788 CG LYS A 53 5.867 19.148 0.261 1.00 0.00 C ATOM 789 CD LYS A 53 6.980 20.199 0.140 1.00 0.00 C ATOM 790 CE LYS A 53 6.545 21.372 -0.744 1.00 0.00 C ATOM 791 NZ LYS A 53 5.615 22.309 -0.076 1.00 0.00 N ATOM 0 H LYS A 53 3.562 17.490 1.353 1.00 0.00 H new ATOM 0 HA LYS A 53 4.858 16.712 -0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.855 17.856 1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.230 17.494 0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.350 19.053 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.129 19.481 0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.245 20.567 1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.875 19.738 -0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.430 21.921 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.069 20.981 -1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.364 23.076 -0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.754 21.800 0.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.073 22.711 0.767 1.00 0.00 H new ATOM 805 N GLY A 54 5.053 14.255 0.918 1.00 0.00 N ATOM 806 CA GLY A 54 5.461 12.860 0.840 1.00 0.00 C ATOM 807 C GLY A 54 5.968 12.291 2.167 1.00 0.00 C ATOM 808 O GLY A 54 6.485 11.177 2.181 1.00 0.00 O ATOM 0 H GLY A 54 4.057 14.390 1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.616 12.262 0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.245 12.762 0.090 1.00 0.00 H new ATOM 812 N ARG A 55 5.820 13.010 3.286 1.00 0.00 N ATOM 813 CA ARG A 55 6.215 12.567 4.627 1.00 0.00 C ATOM 814 C ARG A 55 5.818 11.126 4.911 1.00 0.00 C ATOM 815 O ARG A 55 6.669 10.281 5.190 1.00 0.00 O ATOM 816 CB ARG A 55 5.583 13.503 5.682 1.00 0.00 C ATOM 817 CG ARG A 55 6.656 14.310 6.406 1.00 0.00 C ATOM 818 CD ARG A 55 7.265 13.442 7.515 1.00 0.00 C ATOM 819 NE ARG A 55 8.456 14.043 8.125 1.00 0.00 N ATOM 820 CZ ARG A 55 8.503 15.157 8.862 1.00 0.00 C ATOM 821 NH1 ARG A 55 7.401 15.874 9.058 1.00 0.00 N ATOM 822 NH2 ARG A 55 9.645 15.554 9.401 1.00 0.00 N ATOM 0 H ARG A 55 5.410 13.944 3.282 1.00 0.00 H new ATOM 0 HA ARG A 55 7.303 12.613 4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.878 14.179 5.198 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.016 12.914 6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.429 14.624 5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.224 15.216 6.831 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.515 13.271 8.287 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.527 12.467 7.103 1.00 0.00 H new ATOM 0 HE ARG A 55 9.341 13.560 7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.518 15.574 8.646 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.439 16.724 9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.495 15.009 9.255 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.675 16.405 9.963 1.00 0.00 H new ATOM 836 N ARG A 56 4.511 10.872 4.897 1.00 0.00 N ATOM 837 CA ARG A 56 3.952 9.631 5.391 1.00 0.00 C ATOM 838 C ARG A 56 4.346 8.497 4.463 1.00 0.00 C ATOM 839 O ARG A 56 4.715 7.441 4.959 1.00 0.00 O ATOM 840 CB ARG A 56 2.424 9.758 5.533 1.00 0.00 C ATOM 841 CG ARG A 56 1.917 9.025 6.779 1.00 0.00 C ATOM 842 CD ARG A 56 2.038 9.888 8.046 1.00 0.00 C ATOM 843 NE ARG A 56 0.861 10.759 8.205 1.00 0.00 N ATOM 844 CZ ARG A 56 0.591 11.567 9.235 1.00 0.00 C ATOM 845 NH1 ARG A 56 1.438 11.780 10.229 1.00 0.00 N ATOM 846 NH2 ARG A 56 -0.562 12.205 9.259 1.00 0.00 N ATOM 0 H ARG A 56 3.815 11.527 4.541 1.00 0.00 H new ATOM 0 HA ARG A 56 4.351 9.410 6.381 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.148 10.811 5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.939 9.350 4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.875 8.740 6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.484 8.104 6.913 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.140 9.245 8.920 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.941 10.497 7.991 1.00 0.00 H new ATOM 0 HE ARG A 56 0.178 10.744 7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.347 11.317 10.233 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.182 12.407 10.992 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.231 12.078 8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.785 12.826 10.037 1.00 0.00 H new ATOM 860 N ILE A 57 4.329 8.697 3.142 1.00 0.00 N ATOM 861 CA ILE A 57 4.740 7.649 2.207 1.00 0.00 C ATOM 862 C ILE A 57 6.216 7.282 2.400 1.00 0.00 C ATOM 863 O ILE A 57 6.556 6.097 2.413 1.00 0.00 O ATOM 864 CB ILE A 57 4.347 8.011 0.761 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.701 6.903 -0.254 1.00 0.00 C ATOM 866 CG2 ILE A 57 4.928 9.346 0.287 1.00 0.00 C ATOM 867 CD1 ILE A 57 3.630 6.797 -1.348 1.00 0.00 C ATOM 0 H ILE A 57 4.037 9.569 2.700 1.00 0.00 H new ATOM 0 HA ILE A 57 4.191 6.734 2.430 1.00 0.00 H new ATOM 0 HB ILE A 57 3.262 8.112 0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.669 7.116 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.794 5.948 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.611 9.537 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.571 10.148 0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.016 9.304 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.904 6.009 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.668 6.560 -0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.557 7.746 -1.879 1.00 0.00 H new ATOM 879 N ARG A 58 7.110 8.259 2.613 1.00 0.00 N ATOM 880 CA ARG A 58 8.514 7.991 2.881 1.00 0.00 C ATOM 881 C ARG A 58 8.643 7.145 4.146 1.00 0.00 C ATOM 882 O ARG A 58 9.268 6.084 4.094 1.00 0.00 O ATOM 883 CB ARG A 58 9.279 9.326 2.966 1.00 0.00 C ATOM 884 CG ARG A 58 10.688 9.295 2.360 1.00 0.00 C ATOM 885 CD ARG A 58 11.791 8.583 3.159 1.00 0.00 C ATOM 886 NE ARG A 58 11.682 7.116 3.120 1.00 0.00 N ATOM 887 CZ ARG A 58 12.681 6.228 3.093 1.00 0.00 C ATOM 888 NH1 ARG A 58 13.949 6.606 3.043 1.00 0.00 N ATOM 889 NH2 ARG A 58 12.408 4.927 3.137 1.00 0.00 N ATOM 0 H ARG A 58 6.872 9.251 2.603 1.00 0.00 H new ATOM 0 HA ARG A 58 8.960 7.415 2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.697 10.096 2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.354 9.620 4.013 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.622 8.820 1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.005 10.325 2.194 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.764 8.879 2.766 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.752 8.916 4.196 1.00 0.00 H new ATOM 0 HE ARG A 58 10.737 6.733 3.113 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.185 7.598 3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.690 5.905 3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.440 4.611 3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.167 4.246 3.117 1.00 0.00 H new ATOM 903 N GLU A 59 8.042 7.560 5.259 1.00 0.00 N ATOM 904 CA GLU A 59 8.071 6.788 6.491 1.00 0.00 C ATOM 905 C GLU A 59 7.474 5.396 6.300 1.00 0.00 C ATOM 906 O GLU A 59 8.085 4.413 6.719 1.00 0.00 O ATOM 907 CB GLU A 59 7.350 7.544 7.615 1.00 0.00 C ATOM 908 CG GLU A 59 8.347 8.250 8.538 1.00 0.00 C ATOM 909 CD GLU A 59 7.838 8.351 9.975 1.00 0.00 C ATOM 910 OE1 GLU A 59 7.639 7.304 10.638 1.00 0.00 O ATOM 911 OE2 GLU A 59 7.678 9.493 10.455 1.00 0.00 O ATOM 0 H GLU A 59 7.525 8.436 5.329 1.00 0.00 H new ATOM 0 HA GLU A 59 9.115 6.656 6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.668 8.277 7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.745 6.847 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.293 7.709 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.547 9.251 8.155 1.00 0.00 H new ATOM 918 N LEU A 60 6.307 5.286 5.660 1.00 0.00 N ATOM 919 CA LEU A 60 5.642 4.013 5.401 1.00 0.00 C ATOM 920 C LEU A 60 6.507 3.116 4.511 1.00 0.00 C ATOM 921 O LEU A 60 6.478 1.901 4.692 1.00 0.00 O ATOM 922 CB LEU A 60 4.232 4.199 4.823 1.00 0.00 C ATOM 923 CG LEU A 60 3.188 4.629 5.879 1.00 0.00 C ATOM 924 CD1 LEU A 60 1.837 4.810 5.186 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.000 3.601 7.009 1.00 0.00 C ATOM 0 H LEU A 60 5.793 6.092 5.304 1.00 0.00 H new ATOM 0 HA LEU A 60 5.516 3.512 6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.267 4.948 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.910 3.265 4.363 1.00 0.00 H new ATOM 0 HG LEU A 60 3.556 5.552 6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.090 5.114 5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.923 5.577 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.534 3.869 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.254 3.967 7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.666 2.653 6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.947 3.453 7.528 1.00 0.00 H new ATOM 937 N THR A 61 7.332 3.674 3.621 1.00 0.00 N ATOM 938 CA THR A 61 8.324 2.906 2.878 1.00 0.00 C ATOM 939 C THR A 61 9.311 2.265 3.859 1.00 0.00 C ATOM 940 O THR A 61 9.515 1.058 3.789 1.00 0.00 O ATOM 941 CB THR A 61 9.034 3.777 1.820 1.00 0.00 C ATOM 942 OG1 THR A 61 8.114 4.432 0.971 1.00 0.00 O ATOM 943 CG2 THR A 61 9.963 2.944 0.935 1.00 0.00 C ATOM 0 H THR A 61 7.328 4.669 3.398 1.00 0.00 H new ATOM 0 HA THR A 61 7.822 2.110 2.328 1.00 0.00 H new ATOM 0 HB THR A 61 9.608 4.513 2.383 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.650 5.135 1.472 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.445 3.592 0.203 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.723 2.467 1.553 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.384 2.179 0.418 1.00 0.00 H new ATOM 951 N ALA A 62 9.906 3.038 4.777 1.00 0.00 N ATOM 952 CA ALA A 62 10.931 2.555 5.707 1.00 0.00 C ATOM 953 C ALA A 62 10.390 1.463 6.635 1.00 0.00 C ATOM 954 O ALA A 62 11.013 0.414 6.793 1.00 0.00 O ATOM 955 CB ALA A 62 11.459 3.729 6.538 1.00 0.00 C ATOM 0 H ALA A 62 9.686 4.027 4.895 1.00 0.00 H new ATOM 0 HA ALA A 62 11.739 2.118 5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.221 3.371 7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.893 4.478 5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.639 4.175 7.101 1.00 0.00 H new ATOM 961 N VAL A 63 9.233 1.693 7.255 1.00 0.00 N ATOM 962 CA VAL A 63 8.598 0.700 8.118 1.00 0.00 C ATOM 963 C VAL A 63 8.300 -0.572 7.312 1.00 0.00 C ATOM 964 O VAL A 63 8.658 -1.646 7.778 1.00 0.00 O ATOM 965 CB VAL A 63 7.383 1.319 8.840 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.323 1.783 7.870 1.00 0.00 C ATOM 967 CG2 VAL A 63 6.660 0.413 9.826 1.00 0.00 C ATOM 0 H VAL A 63 8.713 2.567 7.174 1.00 0.00 H new ATOM 0 HA VAL A 63 9.272 0.389 8.916 1.00 0.00 H new ATOM 0 HB VAL A 63 7.846 2.138 9.390 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.487 2.212 8.422 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.743 2.537 7.205 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.972 0.935 7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.825 0.953 10.272 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.285 -0.467 9.304 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.351 0.103 10.610 1.00 0.00 H new ATOM 977 N VAL A 64 7.732 -0.486 6.100 1.00 0.00 N ATOM 978 CA VAL A 64 7.476 -1.653 5.249 1.00 0.00 C ATOM 979 C VAL A 64 8.789 -2.363 4.920 1.00 0.00 C ATOM 980 O VAL A 64 8.872 -3.585 5.043 1.00 0.00 O ATOM 981 CB VAL A 64 6.687 -1.217 3.993 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.777 -2.196 2.812 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.212 -1.015 4.381 1.00 0.00 C ATOM 0 H VAL A 64 7.437 0.397 5.683 1.00 0.00 H new ATOM 0 HA VAL A 64 6.857 -2.378 5.778 1.00 0.00 H new ATOM 0 HB VAL A 64 7.145 -0.291 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.195 -1.811 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.818 -2.306 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.382 -3.166 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.644 -0.707 3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.806 -1.950 4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.140 -0.244 5.149 1.00 0.00 H new ATOM 993 N GLN A 65 9.825 -1.614 4.543 1.00 0.00 N ATOM 994 CA GLN A 65 11.163 -2.118 4.290 1.00 0.00 C ATOM 995 C GLN A 65 11.654 -2.951 5.478 1.00 0.00 C ATOM 996 O GLN A 65 12.144 -4.062 5.284 1.00 0.00 O ATOM 997 CB GLN A 65 12.101 -0.938 3.973 1.00 0.00 C ATOM 998 CG GLN A 65 12.264 -0.601 2.493 1.00 0.00 C ATOM 999 CD GLN A 65 13.364 0.453 2.350 1.00 0.00 C ATOM 1000 OE1 GLN A 65 13.114 1.654 2.429 1.00 0.00 O ATOM 1001 NE2 GLN A 65 14.609 0.020 2.205 1.00 0.00 N ATOM 0 H GLN A 65 9.747 -0.607 4.402 1.00 0.00 H new ATOM 0 HA GLN A 65 11.154 -2.780 3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.729 -0.053 4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.085 -1.159 4.387 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.522 -1.496 1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.325 -0.226 2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.797 -0.981 2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.379 0.687 2.157 1.00 0.00 H new ATOM 1010 N LYS A 66 11.450 -2.483 6.709 1.00 0.00 N ATOM 1011 CA LYS A 66 11.850 -3.176 7.924 1.00 0.00 C ATOM 1012 C LYS A 66 10.971 -4.404 8.142 1.00 0.00 C ATOM 1013 O LYS A 66 11.488 -5.498 8.374 1.00 0.00 O ATOM 1014 CB LYS A 66 11.804 -2.140 9.060 1.00 0.00 C ATOM 1015 CG LYS A 66 11.535 -2.670 10.473 1.00 0.00 C ATOM 1016 CD LYS A 66 11.623 -1.476 11.427 1.00 0.00 C ATOM 1017 CE LYS A 66 11.122 -1.827 12.825 1.00 0.00 C ATOM 1018 NZ LYS A 66 11.098 -0.619 13.666 1.00 0.00 N ATOM 0 H LYS A 66 10.991 -1.590 6.889 1.00 0.00 H new ATOM 0 HA LYS A 66 12.864 -3.573 7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.756 -1.608 9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.033 -1.408 8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.551 -3.136 10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.265 -3.433 10.743 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.656 -1.134 11.487 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.036 -0.649 11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.123 -2.259 12.765 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.769 -2.581 13.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.756 -0.865 14.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.058 -0.225 13.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.463 0.087 13.241 1.00 0.00 H new ATOM 1032 N ARG A 67 9.651 -4.245 8.090 1.00 0.00 N ATOM 1033 CA ARG A 67 8.663 -5.266 8.436 1.00 0.00 C ATOM 1034 C ARG A 67 8.750 -6.453 7.488 1.00 0.00 C ATOM 1035 O ARG A 67 8.720 -7.599 7.932 1.00 0.00 O ATOM 1036 CB ARG A 67 7.263 -4.616 8.402 1.00 0.00 C ATOM 1037 CG ARG A 67 6.289 -5.127 9.473 1.00 0.00 C ATOM 1038 CD ARG A 67 5.456 -6.353 9.063 1.00 0.00 C ATOM 1039 NE ARG A 67 5.165 -7.159 10.257 1.00 0.00 N ATOM 1040 CZ ARG A 67 4.151 -7.003 11.115 1.00 0.00 C ATOM 1041 NH1 ARG A 67 2.989 -6.482 10.741 1.00 0.00 N ATOM 1042 NH2 ARG A 67 4.354 -7.376 12.373 1.00 0.00 N ATOM 0 H ARG A 67 9.223 -3.368 7.794 1.00 0.00 H new ATOM 0 HA ARG A 67 8.860 -5.651 9.437 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.376 -3.538 8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.823 -4.786 7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.857 -5.376 10.370 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.609 -4.318 9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.528 -6.035 8.589 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.000 -6.949 8.331 1.00 0.00 H new ATOM 0 HE ARG A 67 5.810 -7.924 10.454 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.850 -6.187 9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.235 -6.376 11.420 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.256 -7.763 12.651 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.608 -7.275 13.062 1.00 0.00 H new ATOM 1056 N PHE A 68 8.856 -6.180 6.189 1.00 0.00 N ATOM 1057 CA PHE A 68 8.771 -7.168 5.122 1.00 0.00 C ATOM 1058 C PHE A 68 10.158 -7.503 4.553 1.00 0.00 C ATOM 1059 O PHE A 68 10.313 -8.539 3.911 1.00 0.00 O ATOM 1060 CB PHE A 68 7.768 -6.657 4.075 1.00 0.00 C ATOM 1061 CG PHE A 68 6.342 -6.578 4.594 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.510 -7.711 4.519 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.837 -5.390 5.150 1.00 0.00 C ATOM 1064 CE1 PHE A 68 4.177 -7.649 4.958 1.00 0.00 C ATOM 1065 CE2 PHE A 68 4.519 -5.341 5.630 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.690 -6.467 5.533 1.00 0.00 C ATOM 0 H PHE A 68 9.008 -5.233 5.842 1.00 0.00 H new ATOM 0 HA PHE A 68 8.400 -8.119 5.505 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.079 -5.669 3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.795 -7.314 3.206 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.900 -8.636 4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.465 -4.513 5.208 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.531 -8.508 4.853 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.142 -4.432 6.076 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.676 -6.424 5.901 1.00 0.00 H new ATOM 1076 N GLY A 69 11.194 -6.710 4.856 1.00 0.00 N ATOM 1077 CA GLY A 69 12.584 -7.025 4.532 1.00 0.00 C ATOM 1078 C GLY A 69 13.009 -6.586 3.132 1.00 0.00 C ATOM 1079 O GLY A 69 13.975 -7.132 2.598 1.00 0.00 O ATOM 0 H GLY A 69 11.084 -5.819 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.235 -6.548 5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.734 -8.101 4.626 1.00 0.00 H new ATOM 1083 N PHE A 70 12.289 -5.642 2.525 1.00 0.00 N ATOM 1084 CA PHE A 70 12.484 -5.242 1.137 1.00 0.00 C ATOM 1085 C PHE A 70 13.880 -4.652 0.887 1.00 0.00 C ATOM 1086 O PHE A 70 14.335 -3.831 1.693 1.00 0.00 O ATOM 1087 CB PHE A 70 11.435 -4.202 0.745 1.00 0.00 C ATOM 1088 CG PHE A 70 10.099 -4.783 0.357 1.00 0.00 C ATOM 1089 CD1 PHE A 70 9.947 -5.395 -0.899 1.00 0.00 C ATOM 1090 CD2 PHE A 70 9.004 -4.701 1.235 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.708 -5.937 -1.263 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.761 -5.239 0.859 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.617 -5.868 -0.388 1.00 0.00 C ATOM 0 H PHE A 70 11.543 -5.128 2.994 1.00 0.00 H new ATOM 0 HA PHE A 70 12.383 -6.142 0.530 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.291 -3.516 1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.818 -3.613 -0.089 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.783 -5.447 -1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.118 -4.225 2.198 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.593 -6.412 -2.226 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.917 -5.169 1.529 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.667 -6.297 -0.671 1.00 0.00 H new ATOM 1103 N PRO A 71 14.535 -5.000 -0.239 1.00 0.00 N ATOM 1104 CA PRO A 71 15.705 -4.278 -0.711 1.00 0.00 C ATOM 1105 C PRO A 71 15.306 -2.878 -1.192 1.00 0.00 C ATOM 1106 O PRO A 71 14.253 -2.688 -1.810 1.00 0.00 O ATOM 1107 CB PRO A 71 16.297 -5.113 -1.847 1.00 0.00 C ATOM 1108 CG PRO A 71 15.184 -6.065 -2.296 1.00 0.00 C ATOM 1109 CD PRO A 71 14.098 -5.979 -1.225 1.00 0.00 C ATOM 0 HA PRO A 71 16.440 -4.138 0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.622 -4.477 -2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.172 -5.668 -1.508 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.793 -5.776 -3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.558 -7.084 -2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.147 -5.681 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.942 -6.951 -0.758 1.00 0.00 H new ATOM 1117 N GLU A 72 16.154 -1.897 -0.910 1.00 0.00 N ATOM 1118 CA GLU A 72 15.919 -0.506 -1.250 1.00 0.00 C ATOM 1119 C GLU A 72 16.149 -0.286 -2.749 1.00 0.00 C ATOM 1120 O GLU A 72 16.963 -0.963 -3.381 1.00 0.00 O ATOM 1121 CB GLU A 72 16.817 0.363 -0.364 1.00 0.00 C ATOM 1122 CG GLU A 72 16.277 1.799 -0.239 1.00 0.00 C ATOM 1123 CD GLU A 72 16.708 2.500 1.054 1.00 0.00 C ATOM 1124 OE1 GLU A 72 17.300 1.869 1.958 1.00 0.00 O ATOM 1125 OE2 GLU A 72 16.421 3.709 1.202 1.00 0.00 O ATOM 0 H GLU A 72 17.040 -2.053 -0.429 1.00 0.00 H new ATOM 0 HA GLU A 72 14.884 -0.221 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 72 16.893 -0.085 0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.824 0.388 -0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.620 2.384 -1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.188 1.775 -0.285 1.00 0.00 H new ATOM 1132 N GLY A 73 15.395 0.639 -3.351 1.00 0.00 N ATOM 1133 CA GLY A 73 15.322 0.814 -4.801 1.00 0.00 C ATOM 1134 C GLY A 73 14.555 -0.306 -5.505 1.00 0.00 C ATOM 1135 O GLY A 73 14.315 -0.212 -6.713 1.00 0.00 O ATOM 0 H GLY A 73 14.810 1.296 -2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.843 1.768 -5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.333 0.864 -5.206 1.00 0.00 H new ATOM 1139 N SER A 74 14.183 -1.361 -4.782 1.00 0.00 N ATOM 1140 CA SER A 74 13.512 -2.549 -5.282 1.00 0.00 C ATOM 1141 C SER A 74 12.173 -2.773 -4.566 1.00 0.00 C ATOM 1142 O SER A 74 11.484 -3.754 -4.847 1.00 0.00 O ATOM 1143 CB SER A 74 14.472 -3.731 -5.169 1.00 0.00 C ATOM 1144 OG SER A 74 15.575 -3.535 -6.040 1.00 0.00 O ATOM 0 H SER A 74 14.353 -1.408 -3.777 1.00 0.00 H new ATOM 0 HA SER A 74 13.253 -2.427 -6.334 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.821 -3.832 -4.141 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.956 -4.657 -5.423 1.00 0.00 H new ATOM 0 HG SER A 74 16.190 -4.294 -5.964 1.00 0.00 H new ATOM 1150 N VAL A 75 11.751 -1.818 -3.736 1.00 0.00 N ATOM 1151 CA VAL A 75 10.367 -1.608 -3.361 1.00 0.00 C ATOM 1152 C VAL A 75 10.029 -0.182 -3.789 1.00 0.00 C ATOM 1153 O VAL A 75 10.840 0.730 -3.605 1.00 0.00 O ATOM 1154 CB VAL A 75 10.172 -1.914 -1.860 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.903 -0.980 -0.873 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.686 -1.984 -1.499 1.00 0.00 C ATOM 0 H VAL A 75 12.388 -1.153 -3.297 1.00 0.00 H new ATOM 0 HA VAL A 75 9.671 -2.285 -3.857 1.00 0.00 H new ATOM 0 HB VAL A 75 10.648 -2.887 -1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.691 -1.293 0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.977 -1.030 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.558 0.044 -1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.580 -2.201 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.212 -1.029 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.207 -2.772 -2.080 1.00 0.00 H new ATOM 1166 N GLU A 76 8.856 0.012 -4.381 1.00 0.00 N ATOM 1167 CA GLU A 76 8.319 1.322 -4.699 1.00 0.00 C ATOM 1168 C GLU A 76 6.915 1.404 -4.121 1.00 0.00 C ATOM 1169 O GLU A 76 6.153 0.435 -4.171 1.00 0.00 O ATOM 1170 CB GLU A 76 8.301 1.559 -6.218 1.00 0.00 C ATOM 1171 CG GLU A 76 9.186 2.741 -6.643 1.00 0.00 C ATOM 1172 CD GLU A 76 8.632 4.109 -6.215 1.00 0.00 C ATOM 1173 OE1 GLU A 76 8.441 4.351 -4.997 1.00 0.00 O ATOM 1174 OE2 GLU A 76 8.477 5.003 -7.073 1.00 0.00 O ATOM 0 H GLU A 76 8.243 -0.755 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 76 8.950 2.098 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.639 0.656 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.276 1.743 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.181 2.611 -6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.300 2.727 -7.727 1.00 0.00 H new ATOM 1181 N LEU A 77 6.581 2.571 -3.582 1.00 0.00 N ATOM 1182 CA LEU A 77 5.330 2.851 -2.902 1.00 0.00 C ATOM 1183 C LEU A 77 4.643 3.989 -3.649 1.00 0.00 C ATOM 1184 O LEU A 77 5.232 5.056 -3.860 1.00 0.00 O ATOM 1185 CB LEU A 77 5.579 3.184 -1.414 1.00 0.00 C ATOM 1186 CG LEU A 77 5.417 1.970 -0.475 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.596 1.006 -0.589 1.00 0.00 C ATOM 1188 CD2 LEU A 77 5.260 2.410 0.984 1.00 0.00 C ATOM 0 H LEU A 77 7.203 3.379 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 77 4.679 1.977 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.586 3.586 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.887 3.967 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 77 4.511 1.452 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.445 0.165 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.669 0.640 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.517 1.525 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.148 1.531 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.143 2.970 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.377 3.042 1.080 1.00 0.00 H new ATOM 1200 N TYR A 78 3.392 3.756 -4.029 1.00 0.00 N ATOM 1201 CA TYR A 78 2.520 4.622 -4.799 1.00 0.00 C ATOM 1202 C TYR A 78 1.170 4.748 -4.080 1.00 0.00 C ATOM 1203 O TYR A 78 0.869 3.971 -3.165 1.00 0.00 O ATOM 1204 CB TYR A 78 2.320 3.964 -6.168 1.00 0.00 C ATOM 1205 CG TYR A 78 3.592 3.603 -6.915 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.330 4.611 -7.567 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.029 2.262 -6.980 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.462 4.274 -8.333 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.111 1.918 -7.798 1.00 0.00 C ATOM 1210 CZ TYR A 78 5.820 2.920 -8.490 1.00 0.00 C ATOM 1211 OH TYR A 78 6.846 2.575 -9.305 1.00 0.00 O ATOM 0 H TYR A 78 2.927 2.882 -3.783 1.00 0.00 H new ATOM 0 HA TYR A 78 2.951 5.617 -4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.730 3.058 -6.033 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.732 4.637 -6.792 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.027 5.644 -7.479 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.528 1.502 -6.399 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.053 5.049 -8.798 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.403 0.883 -7.899 1.00 0.00 H new ATOM 0 HH TYR A 78 6.958 1.601 -9.296 1.00 0.00 H new ATOM 1221 N ALA A 79 0.327 5.688 -4.508 1.00 0.00 N ATOM 1222 CA ALA A 79 -1.016 5.865 -3.971 1.00 0.00 C ATOM 1223 C ALA A 79 -1.972 6.148 -5.124 1.00 0.00 C ATOM 1224 O ALA A 79 -1.777 7.110 -5.872 1.00 0.00 O ATOM 1225 CB ALA A 79 -1.018 7.004 -2.944 1.00 0.00 C ATOM 0 H ALA A 79 0.563 6.353 -5.245 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.345 4.960 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.024 7.133 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.334 6.762 -2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.697 7.928 -3.425 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.998 5.325 -5.282 1.00 0.00 N ATOM 1232 CA GLU A 80 -4.078 5.492 -6.241 1.00 0.00 C ATOM 1233 C GLU A 80 -5.283 5.994 -5.456 1.00 0.00 C ATOM 1234 O GLU A 80 -5.434 5.754 -4.251 1.00 0.00 O ATOM 1235 CB GLU A 80 -4.443 4.150 -6.908 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.324 4.113 -8.437 1.00 0.00 C ATOM 1237 CD GLU A 80 -5.549 4.739 -9.114 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -5.731 5.964 -8.955 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -6.318 4.019 -9.806 1.00 0.00 O ATOM 0 H GLU A 80 -3.104 4.482 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.777 6.185 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.801 3.373 -6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.468 3.897 -6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.425 4.646 -8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.212 3.081 -8.769 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.165 6.675 -6.172 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.369 7.252 -5.614 1.00 0.00 C ATOM 1248 C LYS A 81 -8.532 6.333 -5.966 1.00 0.00 C ATOM 1249 O LYS A 81 -8.530 5.693 -7.020 1.00 0.00 O ATOM 1250 CB LYS A 81 -7.488 8.678 -6.161 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.908 9.218 -6.009 1.00 0.00 C ATOM 1252 CD LYS A 81 -9.056 10.704 -6.310 1.00 0.00 C ATOM 1253 CE LYS A 81 -8.389 11.122 -7.628 1.00 0.00 C ATOM 1254 NZ LYS A 81 -8.842 10.341 -8.800 1.00 0.00 N ATOM 0 H LYS A 81 -6.058 6.842 -7.173 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.359 7.331 -4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.791 9.330 -5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.203 8.690 -7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.568 8.659 -6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.247 9.031 -4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.116 10.956 -6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.622 11.279 -5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.590 12.178 -7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.309 11.016 -7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.805 10.938 -9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.221 9.516 -8.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.819 10.018 -8.646 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.545 6.287 -5.107 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.724 5.472 -5.351 1.00 0.00 C ATOM 1270 C VAL A 82 -11.652 6.246 -6.287 1.00 0.00 C ATOM 1271 O VAL A 82 -11.791 7.470 -6.220 1.00 0.00 O ATOM 1272 CB VAL A 82 -11.409 5.097 -4.030 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -12.643 4.220 -4.255 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -10.465 4.346 -3.069 1.00 0.00 C ATOM 0 H VAL A 82 -9.570 6.809 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.447 4.531 -5.827 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.703 6.046 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.097 3.978 -3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.363 4.757 -4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.348 3.300 -4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.999 4.104 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.121 3.426 -3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.607 4.976 -2.835 1.00 0.00 H new ATOM 1284 N ALA A 83 -12.315 5.506 -7.165 1.00 0.00 N ATOM 1285 CA ALA A 83 -13.180 6.016 -8.216 1.00 0.00 C ATOM 1286 C ALA A 83 -14.036 4.872 -8.746 1.00 0.00 C ATOM 1287 O ALA A 83 -13.536 3.758 -8.929 1.00 0.00 O ATOM 1288 CB ALA A 83 -12.303 6.577 -9.335 1.00 0.00 C ATOM 0 H ALA A 83 -12.261 4.487 -7.162 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.830 6.803 -7.834 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.936 6.965 -10.133 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -11.681 7.381 -8.942 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.666 5.786 -9.729 1.00 0.00 H new ATOM 1294 N THR A 84 -15.311 5.136 -9.016 1.00 0.00 N ATOM 1295 CA THR A 84 -16.240 4.106 -9.456 1.00 0.00 C ATOM 1296 C THR A 84 -15.894 3.658 -10.880 1.00 0.00 C ATOM 1297 O THR A 84 -15.485 4.473 -11.706 1.00 0.00 O ATOM 1298 CB THR A 84 -17.675 4.654 -9.313 1.00 0.00 C ATOM 1299 OG1 THR A 84 -18.625 3.615 -9.480 1.00 0.00 O ATOM 1300 CG2 THR A 84 -18.050 5.828 -10.223 1.00 0.00 C ATOM 0 H THR A 84 -15.725 6.065 -8.936 1.00 0.00 H new ATOM 0 HA THR A 84 -16.164 3.212 -8.837 1.00 0.00 H new ATOM 0 HB THR A 84 -17.694 5.059 -8.301 1.00 0.00 H new ATOM 0 HG1 THR A 84 -18.642 3.335 -10.419 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.081 6.123 -10.030 1.00 0.00 H new ATOM 0 HG22 THR A 84 -17.388 6.670 -10.022 1.00 0.00 H new ATOM 0 HG23 THR A 84 -17.948 5.527 -11.266 1.00 0.00 H new ATOM 1308 N ARG A 85 -16.138 2.388 -11.218 1.00 0.00 N ATOM 1309 CA ARG A 85 -16.343 2.038 -12.622 1.00 0.00 C ATOM 1310 C ARG A 85 -17.640 2.716 -13.072 1.00 0.00 C ATOM 1311 O ARG A 85 -18.522 2.949 -12.233 1.00 0.00 O ATOM 1312 CB ARG A 85 -16.428 0.510 -12.772 1.00 0.00 C ATOM 1313 CG ARG A 85 -15.999 0.039 -14.165 1.00 0.00 C ATOM 1314 CD ARG A 85 -16.389 -1.429 -14.383 1.00 0.00 C ATOM 1315 NE ARG A 85 -15.473 -2.148 -15.282 1.00 0.00 N ATOM 1316 CZ ARG A 85 -15.151 -1.843 -16.540 1.00 0.00 C ATOM 1317 NH1 ARG A 85 -15.741 -0.827 -17.164 1.00 0.00 N ATOM 1318 NH2 ARG A 85 -14.239 -2.575 -17.165 1.00 0.00 N ATOM 0 H ARG A 85 -16.197 1.610 -10.561 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.513 2.377 -13.242 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.796 0.037 -12.020 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -17.450 0.184 -12.579 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.468 0.662 -14.926 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.921 0.155 -14.278 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.415 -1.938 -13.419 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.398 -1.472 -14.793 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.030 -2.982 -14.896 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.447 -0.272 -16.680 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.487 -0.603 -18.126 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.796 -3.357 -16.684 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.981 -2.356 -18.127 1.00 0.00 H new ATOM 1332 N GLY A 86 -17.788 2.974 -14.366 1.00 0.00 N ATOM 1333 CA GLY A 86 -18.952 3.640 -14.929 1.00 0.00 C ATOM 1334 C GLY A 86 -18.630 5.089 -15.260 1.00 0.00 C ATOM 1335 O GLY A 86 -17.481 5.520 -15.128 1.00 0.00 O ATOM 0 H GLY A 86 -17.089 2.721 -15.064 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -19.276 3.119 -15.830 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -19.780 3.598 -14.221 1.00 0.00 H new ATOM 1339 N SER A 87 -19.658 5.820 -15.681 1.00 0.00 N ATOM 1340 CA SER A 87 -19.611 7.204 -16.143 1.00 0.00 C ATOM 1341 C SER A 87 -18.706 7.411 -17.368 1.00 0.00 C ATOM 1342 O SER A 87 -18.024 6.495 -17.844 1.00 0.00 O ATOM 1343 CB SER A 87 -19.234 8.147 -14.997 1.00 0.00 C ATOM 1344 OG SER A 87 -19.991 7.878 -13.832 1.00 0.00 O ATOM 0 H SER A 87 -20.604 5.439 -15.711 1.00 0.00 H new ATOM 0 HA SER A 87 -20.618 7.452 -16.479 1.00 0.00 H new ATOM 0 HB2 SER A 87 -18.172 8.043 -14.774 1.00 0.00 H new ATOM 0 HB3 SER A 87 -19.395 9.180 -15.306 1.00 0.00 H new ATOM 0 HG SER A 87 -19.725 8.496 -13.119 1.00 0.00 H new ATOM 1350 N GLY A 88 -18.738 8.626 -17.917 1.00 0.00 N ATOM 1351 CA GLY A 88 -18.024 8.993 -19.127 1.00 0.00 C ATOM 1352 C GLY A 88 -16.743 9.765 -18.813 1.00 0.00 C ATOM 1353 O GLY A 88 -16.435 10.021 -17.642 1.00 0.00 O ATOM 0 H GLY A 88 -19.276 9.396 -17.518 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.778 8.094 -19.692 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.670 9.601 -19.761 1.00 0.00 H new ATOM 1357 N PRO A 89 -15.979 10.139 -19.852 1.00 0.00 N ATOM 1358 CA PRO A 89 -14.965 11.170 -19.742 1.00 0.00 C ATOM 1359 C PRO A 89 -15.676 12.516 -19.568 1.00 0.00 C ATOM 1360 O PRO A 89 -15.679 13.078 -18.476 1.00 0.00 O ATOM 1361 CB PRO A 89 -14.125 11.059 -21.019 1.00 0.00 C ATOM 1362 CG PRO A 89 -15.073 10.434 -22.045 1.00 0.00 C ATOM 1363 CD PRO A 89 -16.090 9.647 -21.217 1.00 0.00 C ATOM 0 HA PRO A 89 -14.301 11.067 -18.884 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -13.771 12.036 -21.348 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -13.244 10.437 -20.862 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -15.562 11.199 -22.648 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -14.535 9.782 -22.733 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -17.100 9.793 -21.601 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -15.883 8.578 -21.262 1.00 0.00 H new ATOM 1371 N SER A 90 -16.337 12.976 -20.627 1.00 0.00 N ATOM 1372 CA SER A 90 -17.223 14.126 -20.652 1.00 0.00 C ATOM 1373 C SER A 90 -18.405 13.843 -21.586 1.00 0.00 C ATOM 1374 O SER A 90 -19.523 14.278 -21.309 1.00 0.00 O ATOM 1375 CB SER A 90 -16.395 15.356 -21.047 1.00 0.00 C ATOM 1376 OG SER A 90 -17.181 16.470 -21.414 1.00 0.00 O ATOM 0 H SER A 90 -16.261 12.528 -21.540 1.00 0.00 H new ATOM 0 HA SER A 90 -17.659 14.328 -19.674 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.752 15.634 -20.212 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.742 15.092 -21.879 1.00 0.00 H new ATOM 0 HG SER A 90 -16.596 17.219 -21.652 1.00 0.00 H new ATOM 1382 N SER A 91 -18.191 13.061 -22.657 1.00 0.00 N ATOM 1383 CA SER A 91 -19.175 12.788 -23.710 1.00 0.00 C ATOM 1384 C SER A 91 -19.442 14.015 -24.605 1.00 0.00 C ATOM 1385 O SER A 91 -20.300 13.953 -25.482 1.00 0.00 O ATOM 1386 CB SER A 91 -20.471 12.170 -23.148 1.00 0.00 C ATOM 1387 OG SER A 91 -20.204 11.169 -22.168 1.00 0.00 O ATOM 0 H SER A 91 -17.301 12.589 -22.816 1.00 0.00 H new ATOM 0 HA SER A 91 -18.731 12.035 -24.361 1.00 0.00 H new ATOM 0 HB2 SER A 91 -21.085 12.955 -22.707 1.00 0.00 H new ATOM 0 HB3 SER A 91 -21.048 11.734 -23.963 1.00 0.00 H new ATOM 0 HG SER A 91 -21.050 10.803 -21.835 1.00 0.00 H new ATOM 1393 N GLY A 92 -18.681 15.097 -24.424 1.00 0.00 N ATOM 1394 CA GLY A 92 -18.617 16.297 -25.239 1.00 0.00 C ATOM 1395 C GLY A 92 -17.309 17.001 -24.904 1.00 0.00 C ATOM 1396 O GLY A 92 -16.894 17.932 -25.621 1.00 0.00 O ATOM 0 H GLY A 92 -18.041 15.153 -23.632 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -18.657 16.045 -26.299 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -19.467 16.947 -25.033 1.00 0.00 H new TER 1400 GLY A 92