USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 692 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 85 GLN : amide:sc= -0.0952 K(o=0.19,f=-1.6!) USER MOD Set 1.2: A 88 SER OG : rot -58:sc= 0.281 USER MOD Set 2.1: A 9 TYR OH : rot -147:sc= 1.82 USER MOD Set 2.2: A 40 LYS NZ :NH3+ 159:sc= 0.883 (180deg=-0.00309) USER MOD Set 3.1: A 31 SER OG : rot 180:sc= 1.05 USER MOD Set 3.2: A 67 SER OG : rot 98:sc= 1.21 USER MOD Set 4.1: A 13 TYR OH : rot -64:sc= 1.1 USER MOD Set 4.2: A 20 HIS : no HD1:sc= -0.592 K(o=0.51,f=-4.3!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 16:sc= 1.77 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 106:sc= 0.895 USER MOD Single : A 38 SER OG : rot -169:sc= 0.441 USER MOD Single : A 39 TYR OH : rot -65:sc= 0.727 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -170:sc=-0.00264 USER MOD Single : A 44 ASN : amide:sc=-0.00788 X(o=-0.0079,f=-0.0079) USER MOD Single : A 45 SER OG : rot 180:sc= 0.016 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.036) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.168 K(o=0.17,f=-2.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 60 HIS : no HD1:sc= -0.0607 X(o=-0.061,f=-0.0021) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0361 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -16:sc= 1.25 USER MOD Single : A 71 ASN : amide:sc= 0.947 K(o=0.95,f=-5.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -71:sc= 1.14 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -145:sc= -1.08 (180deg=-2.34!) USER MOD Single : A 91 THR OG1 : rot -71:sc= 0.21 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0.102 K(o=0.1,f=-0.46) USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= 1.06 (180deg=0.553) USER MOD ----------------------------------------------------------------- ATOM 74 N VAL A 7 -23.888 1.731 -9.829 1.00 0.00 N ATOM 75 CA VAL A 7 -22.752 1.763 -8.928 1.00 0.00 C ATOM 76 C VAL A 7 -21.757 2.793 -9.473 1.00 0.00 C ATOM 77 O VAL A 7 -21.628 2.972 -10.687 1.00 0.00 O ATOM 78 CB VAL A 7 -22.153 0.339 -8.788 1.00 0.00 C ATOM 79 CG1 VAL A 7 -21.085 0.292 -7.693 1.00 0.00 C ATOM 80 CG2 VAL A 7 -23.173 -0.759 -8.426 1.00 0.00 C ATOM 0 HA VAL A 7 -23.038 2.067 -7.921 1.00 0.00 H new ATOM 0 HB VAL A 7 -21.749 0.137 -9.780 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -20.684 -0.719 -7.619 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -20.280 0.984 -7.940 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -21.529 0.577 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -22.662 -1.719 -8.350 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -23.641 -0.520 -7.471 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -23.938 -0.815 -9.201 1.00 0.00 H new ATOM 90 N SER A 8 -21.032 3.458 -8.577 1.00 0.00 N ATOM 91 CA SER A 8 -19.846 4.243 -8.876 1.00 0.00 C ATOM 92 C SER A 8 -18.822 3.907 -7.804 1.00 0.00 C ATOM 93 O SER A 8 -19.031 4.233 -6.633 1.00 0.00 O ATOM 94 CB SER A 8 -20.160 5.740 -8.863 1.00 0.00 C ATOM 95 OG SER A 8 -21.171 6.055 -9.802 1.00 0.00 O ATOM 0 H SER A 8 -21.267 3.462 -7.585 1.00 0.00 H new ATOM 0 HA SER A 8 -19.470 4.008 -9.871 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.480 6.039 -7.865 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.257 6.306 -9.092 1.00 0.00 H new ATOM 0 HG SER A 8 -21.355 7.017 -9.774 1.00 0.00 H new ATOM 101 N TYR A 9 -17.754 3.204 -8.169 1.00 0.00 N ATOM 102 CA TYR A 9 -16.579 3.145 -7.316 1.00 0.00 C ATOM 103 C TYR A 9 -15.788 4.434 -7.514 1.00 0.00 C ATOM 104 O TYR A 9 -15.841 5.044 -8.584 1.00 0.00 O ATOM 105 CB TYR A 9 -15.726 1.921 -7.649 1.00 0.00 C ATOM 106 CG TYR A 9 -16.169 0.628 -6.982 1.00 0.00 C ATOM 107 CD1 TYR A 9 -17.478 0.138 -7.130 1.00 0.00 C ATOM 108 CD2 TYR A 9 -15.263 -0.079 -6.175 1.00 0.00 C ATOM 109 CE1 TYR A 9 -17.884 -1.029 -6.460 1.00 0.00 C ATOM 110 CE2 TYR A 9 -15.653 -1.247 -5.493 1.00 0.00 C ATOM 111 CZ TYR A 9 -16.989 -1.699 -5.599 1.00 0.00 C ATOM 112 OH TYR A 9 -17.480 -2.697 -4.817 1.00 0.00 O ATOM 0 H TYR A 9 -17.681 2.675 -9.038 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.878 3.050 -6.272 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.732 1.776 -8.729 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.695 2.126 -7.361 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -18.178 0.663 -7.764 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -14.249 0.280 -6.076 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.883 -1.414 -6.604 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.939 -1.793 -4.894 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.991 -2.718 -3.968 1.00 0.00 H new ATOM 122 N TYR A 10 -15.036 4.802 -6.482 1.00 0.00 N ATOM 123 CA TYR A 10 -14.149 5.945 -6.418 1.00 0.00 C ATOM 124 C TYR A 10 -12.771 5.370 -6.109 1.00 0.00 C ATOM 125 O TYR A 10 -12.602 4.702 -5.081 1.00 0.00 O ATOM 126 CB TYR A 10 -14.613 6.910 -5.317 1.00 0.00 C ATOM 127 CG TYR A 10 -15.919 7.637 -5.592 1.00 0.00 C ATOM 128 CD1 TYR A 10 -17.151 6.952 -5.542 1.00 0.00 C ATOM 129 CD2 TYR A 10 -15.905 9.016 -5.876 1.00 0.00 C ATOM 130 CE1 TYR A 10 -18.350 7.628 -5.815 1.00 0.00 C ATOM 131 CE2 TYR A 10 -17.109 9.712 -6.077 1.00 0.00 C ATOM 132 CZ TYR A 10 -18.340 9.020 -6.032 1.00 0.00 C ATOM 133 OH TYR A 10 -19.515 9.678 -6.206 1.00 0.00 O ATOM 0 H TYR A 10 -15.034 4.270 -5.612 1.00 0.00 H new ATOM 0 HA TYR A 10 -14.137 6.516 -7.347 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.718 6.350 -4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.831 7.652 -5.155 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -17.172 5.901 -5.292 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.964 9.542 -5.940 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.280 7.081 -5.859 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.093 10.775 -6.266 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.338 10.632 -6.343 1.00 0.00 H new ATOM 143 N PHE A 11 -11.810 5.558 -7.015 1.00 0.00 N ATOM 144 CA PHE A 11 -10.462 5.024 -6.869 1.00 0.00 C ATOM 145 C PHE A 11 -9.417 6.055 -7.293 1.00 0.00 C ATOM 146 O PHE A 11 -8.592 5.820 -8.175 1.00 0.00 O ATOM 147 CB PHE A 11 -10.330 3.645 -7.561 1.00 0.00 C ATOM 148 CG PHE A 11 -10.941 3.489 -8.946 1.00 0.00 C ATOM 149 CD1 PHE A 11 -10.227 3.866 -10.101 1.00 0.00 C ATOM 150 CD2 PHE A 11 -12.216 2.911 -9.084 1.00 0.00 C ATOM 151 CE1 PHE A 11 -10.791 3.681 -11.376 1.00 0.00 C ATOM 152 CE2 PHE A 11 -12.781 2.727 -10.358 1.00 0.00 C ATOM 153 CZ PHE A 11 -12.068 3.112 -11.506 1.00 0.00 C ATOM 0 H PHE A 11 -11.950 6.089 -7.875 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.263 4.831 -5.815 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.269 3.406 -7.633 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.782 2.897 -6.909 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.242 4.299 -10.007 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.765 2.606 -8.205 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.241 3.977 -12.257 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.764 2.289 -10.454 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.501 2.971 -12.485 1.00 0.00 H new ATOM 163 N SER A 12 -9.413 7.189 -6.603 1.00 0.00 N ATOM 164 CA SER A 12 -8.476 8.276 -6.816 1.00 0.00 C ATOM 165 C SER A 12 -8.336 9.078 -5.518 1.00 0.00 C ATOM 166 O SER A 12 -8.727 8.592 -4.453 1.00 0.00 O ATOM 167 CB SER A 12 -8.982 9.110 -7.994 1.00 0.00 C ATOM 168 OG SER A 12 -10.337 9.485 -7.793 1.00 0.00 O ATOM 0 H SER A 12 -10.083 7.380 -5.858 1.00 0.00 H new ATOM 0 HA SER A 12 -7.479 7.916 -7.068 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.365 10.001 -8.108 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.890 8.539 -8.918 1.00 0.00 H new ATOM 0 HG SER A 12 -10.645 10.019 -8.555 1.00 0.00 H new ATOM 174 N TYR A 13 -7.723 10.260 -5.575 1.00 0.00 N ATOM 175 CA TYR A 13 -7.697 11.204 -4.465 1.00 0.00 C ATOM 176 C TYR A 13 -9.106 11.732 -4.149 1.00 0.00 C ATOM 177 O TYR A 13 -10.093 11.337 -4.774 1.00 0.00 O ATOM 178 CB TYR A 13 -6.753 12.355 -4.818 1.00 0.00 C ATOM 179 CG TYR A 13 -5.422 12.297 -4.119 1.00 0.00 C ATOM 180 CD1 TYR A 13 -4.403 11.418 -4.544 1.00 0.00 C ATOM 181 CD2 TYR A 13 -5.224 13.142 -3.017 1.00 0.00 C ATOM 182 CE1 TYR A 13 -3.167 11.405 -3.869 1.00 0.00 C ATOM 183 CE2 TYR A 13 -4.017 13.117 -2.326 1.00 0.00 C ATOM 184 CZ TYR A 13 -2.981 12.282 -2.772 1.00 0.00 C ATOM 185 OH TYR A 13 -1.801 12.365 -2.128 1.00 0.00 O ATOM 0 H TYR A 13 -7.226 10.590 -6.403 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.337 10.695 -3.571 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.585 12.355 -5.895 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.240 13.298 -4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.570 10.759 -5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.010 13.813 -2.704 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.376 10.739 -4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.878 13.736 -1.452 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.603 11.508 -1.696 1.00 0.00 H new ATOM 195 N ALA A 14 -9.222 12.613 -3.156 1.00 0.00 N ATOM 196 CA ALA A 14 -10.387 13.467 -2.971 1.00 0.00 C ATOM 197 C ALA A 14 -10.118 14.894 -3.444 1.00 0.00 C ATOM 198 O ALA A 14 -11.048 15.577 -3.860 1.00 0.00 O ATOM 199 CB ALA A 14 -10.784 13.484 -1.494 1.00 0.00 C ATOM 0 H ALA A 14 -8.499 12.753 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.200 13.059 -3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.656 14.124 -1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.023 12.471 -1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.956 13.869 -0.899 1.00 0.00 H new ATOM 205 N ASP A 15 -8.863 15.346 -3.400 1.00 0.00 N ATOM 206 CA ASP A 15 -8.512 16.766 -3.521 1.00 0.00 C ATOM 207 C ASP A 15 -7.257 16.973 -4.375 1.00 0.00 C ATOM 208 O ASP A 15 -6.617 18.023 -4.323 1.00 0.00 O ATOM 209 CB ASP A 15 -8.299 17.329 -2.108 1.00 0.00 C ATOM 210 CG ASP A 15 -8.840 18.752 -1.992 1.00 0.00 C ATOM 211 OD1 ASP A 15 -10.050 18.901 -1.707 1.00 0.00 O ATOM 212 OD2 ASP A 15 -8.053 19.713 -2.147 1.00 0.00 O ATOM 0 H ASP A 15 -8.055 14.735 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.324 17.292 -4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.796 16.688 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.236 17.321 -1.867 1.00 0.00 H new ATOM 217 N GLY A 16 -6.816 15.927 -5.078 1.00 0.00 N ATOM 218 CA GLY A 16 -5.414 15.774 -5.437 1.00 0.00 C ATOM 219 C GLY A 16 -5.191 15.533 -6.916 1.00 0.00 C ATOM 220 O GLY A 16 -4.539 16.337 -7.577 1.00 0.00 O ATOM 0 H GLY A 16 -7.417 15.173 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.871 16.670 -5.137 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.992 14.942 -4.874 1.00 0.00 H new ATOM 224 N GLY A 17 -5.622 14.378 -7.409 1.00 0.00 N ATOM 225 CA GLY A 17 -5.027 13.770 -8.581 1.00 0.00 C ATOM 226 C GLY A 17 -5.011 12.265 -8.397 1.00 0.00 C ATOM 227 O GLY A 17 -6.049 11.658 -8.109 1.00 0.00 O ATOM 0 H GLY A 17 -6.391 13.843 -7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.595 14.035 -9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.013 14.143 -8.726 1.00 0.00 H new ATOM 231 N THR A 18 -3.839 11.655 -8.554 1.00 0.00 N ATOM 232 CA THR A 18 -3.692 10.206 -8.597 1.00 0.00 C ATOM 233 C THR A 18 -2.407 9.704 -7.939 1.00 0.00 C ATOM 234 O THR A 18 -2.158 8.502 -7.975 1.00 0.00 O ATOM 235 CB THR A 18 -3.813 9.718 -10.051 1.00 0.00 C ATOM 236 OG1 THR A 18 -3.192 10.600 -10.976 1.00 0.00 O ATOM 237 CG2 THR A 18 -5.278 9.563 -10.451 1.00 0.00 C ATOM 0 H THR A 18 -2.958 12.159 -8.656 1.00 0.00 H new ATOM 0 HA THR A 18 -4.501 9.779 -8.004 1.00 0.00 H new ATOM 0 HB THR A 18 -3.302 8.756 -10.088 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.294 10.246 -11.884 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.339 9.217 -11.483 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.759 8.837 -9.796 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.784 10.524 -10.360 1.00 0.00 H new ATOM 245 N SER A 19 -1.583 10.558 -7.334 1.00 0.00 N ATOM 246 CA SER A 19 -0.393 10.152 -6.583 1.00 0.00 C ATOM 247 C SER A 19 0.099 11.281 -5.674 1.00 0.00 C ATOM 248 O SER A 19 -0.421 12.393 -5.736 1.00 0.00 O ATOM 249 CB SER A 19 0.700 9.735 -7.579 1.00 0.00 C ATOM 250 OG SER A 19 0.500 8.411 -8.045 1.00 0.00 O ATOM 0 H SER A 19 -1.725 11.568 -7.351 1.00 0.00 H new ATOM 0 HA SER A 19 -0.643 9.309 -5.939 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.705 10.423 -8.425 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.677 9.810 -7.101 1.00 0.00 H new ATOM 0 HG SER A 19 -0.417 8.128 -7.844 1.00 0.00 H new ATOM 256 N HIS A 20 1.111 10.991 -4.856 1.00 0.00 N ATOM 257 CA HIS A 20 1.776 11.873 -3.899 1.00 0.00 C ATOM 258 C HIS A 20 3.289 11.980 -4.100 1.00 0.00 C ATOM 259 O HIS A 20 3.954 10.993 -4.454 1.00 0.00 O ATOM 260 CB HIS A 20 1.343 11.562 -2.448 1.00 0.00 C ATOM 261 CG HIS A 20 0.762 10.186 -2.151 1.00 0.00 C ATOM 262 ND1 HIS A 20 -0.482 9.968 -1.613 1.00 0.00 N ATOM 263 CD2 HIS A 20 1.268 8.956 -2.453 1.00 0.00 C ATOM 264 CE1 HIS A 20 -0.718 8.648 -1.580 1.00 0.00 C ATOM 265 NE2 HIS A 20 0.338 7.979 -2.073 1.00 0.00 N ATOM 0 H HIS A 20 1.519 10.056 -4.846 1.00 0.00 H new ATOM 0 HA HIS A 20 1.427 12.884 -4.109 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.211 11.703 -1.804 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.603 12.307 -2.154 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.228 8.766 -2.910 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.624 8.190 -1.211 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.441 6.967 -2.154 1.00 0.00 H new ATOM 273 N THR A 21 3.839 13.167 -3.863 1.00 0.00 N ATOM 274 CA THR A 21 5.256 13.481 -3.994 1.00 0.00 C ATOM 275 C THR A 21 5.641 14.420 -2.857 1.00 0.00 C ATOM 276 O THR A 21 4.875 15.316 -2.504 1.00 0.00 O ATOM 277 CB THR A 21 5.543 14.203 -5.327 1.00 0.00 C ATOM 278 OG1 THR A 21 4.722 13.754 -6.388 1.00 0.00 O ATOM 279 CG2 THR A 21 7.010 14.074 -5.753 1.00 0.00 C ATOM 0 H THR A 21 3.285 13.969 -3.562 1.00 0.00 H new ATOM 0 HA THR A 21 5.826 12.553 -3.964 1.00 0.00 H new ATOM 0 HB THR A 21 5.313 15.250 -5.130 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.946 14.246 -7.206 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.162 14.598 -6.696 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.651 14.511 -4.987 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.261 13.021 -5.879 1.00 0.00 H new ATOM 287 N GLU A 22 6.868 14.325 -2.353 1.00 0.00 N ATOM 288 CA GLU A 22 7.459 15.446 -1.651 1.00 0.00 C ATOM 289 C GLU A 22 8.906 15.637 -2.067 1.00 0.00 C ATOM 290 O GLU A 22 9.526 14.743 -2.651 1.00 0.00 O ATOM 291 CB GLU A 22 7.278 15.317 -0.140 1.00 0.00 C ATOM 292 CG GLU A 22 7.993 14.138 0.518 1.00 0.00 C ATOM 293 CD GLU A 22 8.105 14.405 2.018 1.00 0.00 C ATOM 294 OE1 GLU A 22 7.044 14.672 2.628 1.00 0.00 O ATOM 295 OE2 GLU A 22 9.225 14.329 2.560 1.00 0.00 O ATOM 0 H GLU A 22 7.459 13.496 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 22 6.929 16.355 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.628 16.237 0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.212 15.236 0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.442 13.215 0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.984 14.007 0.083 1.00 0.00 H new ATOM 302 N TYR A 23 9.405 16.827 -1.751 1.00 0.00 N ATOM 303 CA TYR A 23 10.772 17.255 -1.943 1.00 0.00 C ATOM 304 C TYR A 23 11.151 17.970 -0.643 1.00 0.00 C ATOM 305 O TYR A 23 11.091 19.202 -0.605 1.00 0.00 O ATOM 306 CB TYR A 23 10.877 18.170 -3.177 1.00 0.00 C ATOM 307 CG TYR A 23 10.384 17.548 -4.468 1.00 0.00 C ATOM 308 CD1 TYR A 23 9.026 17.652 -4.820 1.00 0.00 C ATOM 309 CD2 TYR A 23 11.272 16.843 -5.297 1.00 0.00 C ATOM 310 CE1 TYR A 23 8.555 17.068 -6.006 1.00 0.00 C ATOM 311 CE2 TYR A 23 10.807 16.246 -6.482 1.00 0.00 C ATOM 312 CZ TYR A 23 9.451 16.375 -6.849 1.00 0.00 C ATOM 313 OH TYR A 23 9.017 15.833 -8.020 1.00 0.00 O ATOM 0 H TYR A 23 8.827 17.555 -1.330 1.00 0.00 H new ATOM 0 HA TYR A 23 11.454 16.427 -2.138 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.308 19.080 -2.987 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.918 18.466 -3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.343 18.184 -4.175 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.314 16.759 -5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.512 17.148 -6.273 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.487 15.690 -7.110 1.00 0.00 H new ATOM 0 HH TYR A 23 9.766 15.394 -8.475 1.00 0.00 H new ATOM 323 N PRO A 24 11.428 17.240 0.453 1.00 0.00 N ATOM 324 CA PRO A 24 11.810 17.845 1.718 1.00 0.00 C ATOM 325 C PRO A 24 13.177 18.506 1.566 1.00 0.00 C ATOM 326 O PRO A 24 13.819 18.408 0.517 1.00 0.00 O ATOM 327 CB PRO A 24 11.793 16.713 2.745 1.00 0.00 C ATOM 328 CG PRO A 24 12.153 15.501 1.898 1.00 0.00 C ATOM 329 CD PRO A 24 11.467 15.793 0.566 1.00 0.00 C ATOM 0 HA PRO A 24 11.132 18.634 2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.515 16.879 3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.815 16.605 3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 24 13.232 15.397 1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.790 14.575 2.344 1.00 0.00 H new ATOM 0 HD2 PRO A 24 12.018 15.350 -0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.462 15.371 0.542 1.00 0.00 H new ATOM 337 N ASP A 25 13.602 19.246 2.581 1.00 0.00 N ATOM 338 CA ASP A 25 14.552 20.335 2.338 1.00 0.00 C ATOM 339 C ASP A 25 15.296 20.776 3.591 1.00 0.00 C ATOM 340 O ASP A 25 16.121 21.686 3.521 1.00 0.00 O ATOM 341 CB ASP A 25 13.830 21.541 1.700 1.00 0.00 C ATOM 342 CG ASP A 25 12.924 22.319 2.661 1.00 0.00 C ATOM 343 OD1 ASP A 25 12.146 21.702 3.431 1.00 0.00 O ATOM 344 OD2 ASP A 25 12.912 23.568 2.600 1.00 0.00 O ATOM 0 H ASP A 25 13.318 19.123 3.553 1.00 0.00 H new ATOM 0 HA ASP A 25 15.302 19.943 1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.577 22.222 1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.230 21.188 0.861 1.00 0.00 H new ATOM 349 N ASP A 26 15.015 20.147 4.728 1.00 0.00 N ATOM 350 CA ASP A 26 15.534 20.522 6.037 1.00 0.00 C ATOM 351 C ASP A 26 15.260 19.357 6.983 1.00 0.00 C ATOM 352 O ASP A 26 16.173 18.580 7.261 1.00 0.00 O ATOM 353 CB ASP A 26 14.897 21.836 6.530 1.00 0.00 C ATOM 354 CG ASP A 26 15.629 22.427 7.733 1.00 0.00 C ATOM 355 OD1 ASP A 26 16.334 21.721 8.483 1.00 0.00 O ATOM 356 OD2 ASP A 26 15.552 23.668 7.907 1.00 0.00 O ATOM 0 H ASP A 26 14.399 19.335 4.764 1.00 0.00 H new ATOM 0 HA ASP A 26 16.606 20.712 5.990 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.896 22.562 5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.856 21.654 6.796 1.00 0.00 H new ATOM 361 N SER A 27 13.997 19.161 7.378 1.00 0.00 N ATOM 362 CA SER A 27 13.474 17.981 8.057 1.00 0.00 C ATOM 363 C SER A 27 11.945 18.056 7.966 1.00 0.00 C ATOM 364 O SER A 27 11.318 18.790 8.744 1.00 0.00 O ATOM 365 CB SER A 27 13.973 17.936 9.514 1.00 0.00 C ATOM 366 OG SER A 27 13.607 16.734 10.174 1.00 0.00 O ATOM 0 H SER A 27 13.275 19.865 7.221 1.00 0.00 H new ATOM 0 HA SER A 27 13.823 17.060 7.590 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.058 18.039 9.527 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.566 18.786 10.061 1.00 0.00 H new ATOM 0 HG SER A 27 13.946 16.749 11.093 1.00 0.00 H new ATOM 372 N SER A 28 11.344 17.361 6.992 1.00 0.00 N ATOM 373 CA SER A 28 9.895 17.142 6.922 1.00 0.00 C ATOM 374 C SER A 28 9.500 15.659 6.861 1.00 0.00 C ATOM 375 O SER A 28 8.406 15.325 6.399 1.00 0.00 O ATOM 376 CB SER A 28 9.294 17.902 5.737 1.00 0.00 C ATOM 377 OG SER A 28 9.521 19.298 5.792 1.00 0.00 O ATOM 0 H SER A 28 11.856 16.930 6.222 1.00 0.00 H new ATOM 0 HA SER A 28 9.484 17.531 7.854 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.715 17.509 4.812 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.220 17.717 5.703 1.00 0.00 H new ATOM 0 HG SER A 28 9.116 19.726 5.009 1.00 0.00 H new ATOM 383 N ALA A 29 10.354 14.772 7.361 1.00 0.00 N ATOM 384 CA ALA A 29 9.985 13.381 7.619 1.00 0.00 C ATOM 385 C ALA A 29 9.046 13.319 8.833 1.00 0.00 C ATOM 386 O ALA A 29 9.108 14.200 9.694 1.00 0.00 O ATOM 387 CB ALA A 29 11.253 12.561 7.876 1.00 0.00 C ATOM 0 H ALA A 29 11.320 14.995 7.599 1.00 0.00 H new ATOM 0 HA ALA A 29 9.467 12.966 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.982 11.523 8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.902 12.610 7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.779 12.965 8.741 1.00 0.00 H new ATOM 393 N GLY A 30 8.206 12.286 8.947 1.00 0.00 N ATOM 394 CA GLY A 30 7.349 12.075 10.098 1.00 0.00 C ATOM 395 C GLY A 30 6.179 11.187 9.696 1.00 0.00 C ATOM 396 O GLY A 30 6.331 10.363 8.788 1.00 0.00 O ATOM 0 H GLY A 30 8.107 11.569 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.913 11.609 10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.983 13.031 10.474 1.00 0.00 H new ATOM 400 N SER A 31 5.025 11.334 10.353 1.00 0.00 N ATOM 401 CA SER A 31 3.869 10.456 10.176 1.00 0.00 C ATOM 402 C SER A 31 2.550 11.232 10.055 1.00 0.00 C ATOM 403 O SER A 31 1.989 11.642 11.067 1.00 0.00 O ATOM 404 CB SER A 31 3.803 9.460 11.339 1.00 0.00 C ATOM 405 OG SER A 31 5.065 8.869 11.608 1.00 0.00 O ATOM 0 H SER A 31 4.867 12.078 11.033 1.00 0.00 H new ATOM 0 HA SER A 31 4.000 9.921 9.236 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.444 9.970 12.233 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.080 8.679 11.106 1.00 0.00 H new ATOM 0 HG SER A 31 4.980 8.242 12.356 1.00 0.00 H new ATOM 411 N PHE A 32 2.003 11.391 8.847 1.00 0.00 N ATOM 412 CA PHE A 32 0.759 12.147 8.580 1.00 0.00 C ATOM 413 C PHE A 32 -0.318 11.310 7.871 1.00 0.00 C ATOM 414 O PHE A 32 -0.268 10.081 7.948 1.00 0.00 O ATOM 415 CB PHE A 32 1.073 13.503 7.936 1.00 0.00 C ATOM 416 CG PHE A 32 1.678 13.515 6.546 1.00 0.00 C ATOM 417 CD1 PHE A 32 2.947 12.952 6.314 1.00 0.00 C ATOM 418 CD2 PHE A 32 1.027 14.202 5.504 1.00 0.00 C ATOM 419 CE1 PHE A 32 3.552 13.072 5.056 1.00 0.00 C ATOM 420 CE2 PHE A 32 1.675 14.384 4.273 1.00 0.00 C ATOM 421 CZ PHE A 32 2.932 13.810 4.038 1.00 0.00 C ATOM 0 H PHE A 32 2.415 10.992 8.004 1.00 0.00 H new ATOM 0 HA PHE A 32 0.289 12.380 9.535 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.147 14.077 7.901 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.753 14.037 8.600 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.456 12.426 7.108 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.030 14.589 5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.502 12.593 4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.201 14.971 3.500 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.418 13.935 3.082 1.00 0.00 H new ATOM 431 N ILE A 33 -1.351 11.943 7.300 1.00 0.00 N ATOM 432 CA ILE A 33 -2.443 11.352 6.505 1.00 0.00 C ATOM 433 C ILE A 33 -2.694 12.293 5.301 1.00 0.00 C ATOM 434 O ILE A 33 -2.330 13.467 5.374 1.00 0.00 O ATOM 435 CB ILE A 33 -3.715 11.150 7.384 1.00 0.00 C ATOM 436 CG1 ILE A 33 -3.391 10.410 8.707 1.00 0.00 C ATOM 437 CG2 ILE A 33 -4.814 10.380 6.620 1.00 0.00 C ATOM 438 CD1 ILE A 33 -4.610 9.926 9.501 1.00 0.00 C ATOM 0 H ILE A 33 -1.456 12.954 7.386 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.176 10.361 6.138 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.084 12.147 7.625 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.762 9.550 8.479 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.805 11.074 9.342 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.686 10.257 7.263 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.097 10.939 5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.436 9.400 6.330 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.277 9.422 10.408 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.232 10.780 9.768 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.189 9.232 8.892 1.00 0.00 H new ATOM 450 N LEU A 34 -3.302 11.808 4.203 1.00 0.00 N ATOM 451 CA LEU A 34 -3.641 12.568 2.998 1.00 0.00 C ATOM 452 C LEU A 34 -5.082 12.288 2.559 1.00 0.00 C ATOM 453 O LEU A 34 -5.750 11.415 3.107 1.00 0.00 O ATOM 454 CB LEU A 34 -2.662 12.187 1.880 1.00 0.00 C ATOM 455 CG LEU A 34 -1.212 12.630 2.169 1.00 0.00 C ATOM 456 CD1 LEU A 34 -0.255 12.064 1.119 1.00 0.00 C ATOM 457 CD2 LEU A 34 -1.144 14.151 2.124 1.00 0.00 C ATOM 0 H LEU A 34 -3.581 10.829 4.134 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.562 13.633 3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.684 11.106 1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.994 12.638 0.945 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.920 12.259 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.762 12.388 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.300 10.975 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.543 12.425 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.123 14.476 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.446 14.500 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.814 14.568 2.876 1.00 0.00 H new ATOM 469 N ASP A 35 -5.584 13.011 1.560 1.00 0.00 N ATOM 470 CA ASP A 35 -7.025 13.222 1.358 1.00 0.00 C ATOM 471 C ASP A 35 -7.504 12.464 0.128 1.00 0.00 C ATOM 472 O ASP A 35 -7.461 12.979 -0.990 1.00 0.00 O ATOM 473 CB ASP A 35 -7.342 14.720 1.276 1.00 0.00 C ATOM 474 CG ASP A 35 -7.008 15.383 2.604 1.00 0.00 C ATOM 475 OD1 ASP A 35 -7.828 15.279 3.548 1.00 0.00 O ATOM 476 OD2 ASP A 35 -5.859 15.866 2.742 1.00 0.00 O ATOM 0 H ASP A 35 -5.002 13.472 0.860 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.568 12.825 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.767 15.181 0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.396 14.867 1.039 1.00 0.00 H new ATOM 481 N ILE A 36 -7.890 11.200 0.310 1.00 0.00 N ATOM 482 CA ILE A 36 -8.052 10.217 -0.762 1.00 0.00 C ATOM 483 C ILE A 36 -9.426 9.537 -0.639 1.00 0.00 C ATOM 484 O ILE A 36 -10.005 9.542 0.449 1.00 0.00 O ATOM 485 CB ILE A 36 -6.830 9.265 -0.698 1.00 0.00 C ATOM 486 CG1 ILE A 36 -5.522 10.008 -1.100 1.00 0.00 C ATOM 487 CG2 ILE A 36 -6.974 8.032 -1.598 1.00 0.00 C ATOM 488 CD1 ILE A 36 -4.326 9.649 -0.223 1.00 0.00 C ATOM 0 H ILE A 36 -8.104 10.822 1.233 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.058 10.665 -1.756 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.781 8.930 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.285 9.774 -2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.693 11.083 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.085 7.408 -1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.851 7.461 -1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.088 8.349 -2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.449 10.203 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.544 9.908 0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.130 8.579 -0.296 1.00 0.00 H new ATOM 500 N THR A 37 -9.942 8.952 -1.729 1.00 0.00 N ATOM 501 CA THR A 37 -11.300 8.416 -1.812 1.00 0.00 C ATOM 502 C THR A 37 -11.247 6.932 -2.196 1.00 0.00 C ATOM 503 O THR A 37 -10.407 6.530 -3.002 1.00 0.00 O ATOM 504 CB THR A 37 -12.104 9.225 -2.846 1.00 0.00 C ATOM 505 OG1 THR A 37 -11.866 10.613 -2.738 1.00 0.00 O ATOM 506 CG2 THR A 37 -13.600 9.046 -2.624 1.00 0.00 C ATOM 0 H THR A 37 -9.413 8.838 -2.593 1.00 0.00 H new ATOM 0 HA THR A 37 -11.793 8.500 -0.844 1.00 0.00 H new ATOM 0 HB THR A 37 -11.786 8.855 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.295 10.906 -3.479 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.150 9.626 -3.365 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.859 7.992 -2.723 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.863 9.392 -1.624 1.00 0.00 H new ATOM 514 N SER A 38 -12.132 6.103 -1.632 1.00 0.00 N ATOM 515 CA SER A 38 -11.920 4.657 -1.610 1.00 0.00 C ATOM 516 C SER A 38 -13.220 3.871 -1.378 1.00 0.00 C ATOM 517 O SER A 38 -13.225 2.837 -0.713 1.00 0.00 O ATOM 518 CB SER A 38 -10.840 4.355 -0.556 1.00 0.00 C ATOM 519 OG SER A 38 -10.952 5.168 0.594 1.00 0.00 O ATOM 0 H SER A 38 -12.997 6.410 -1.187 1.00 0.00 H new ATOM 0 HA SER A 38 -11.575 4.321 -2.588 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.909 3.308 -0.262 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.855 4.497 -1.001 1.00 0.00 H new ATOM 0 HG SER A 38 -10.153 5.059 1.150 1.00 0.00 H new ATOM 525 N TYR A 39 -14.348 4.327 -1.922 1.00 0.00 N ATOM 526 CA TYR A 39 -15.671 3.782 -1.601 1.00 0.00 C ATOM 527 C TYR A 39 -16.433 3.421 -2.868 1.00 0.00 C ATOM 528 O TYR A 39 -16.006 3.757 -3.976 1.00 0.00 O ATOM 529 CB TYR A 39 -16.460 4.737 -0.682 1.00 0.00 C ATOM 530 CG TYR A 39 -16.882 6.065 -1.272 1.00 0.00 C ATOM 531 CD1 TYR A 39 -18.050 6.150 -2.051 1.00 0.00 C ATOM 532 CD2 TYR A 39 -16.150 7.231 -0.984 1.00 0.00 C ATOM 533 CE1 TYR A 39 -18.451 7.385 -2.578 1.00 0.00 C ATOM 534 CE2 TYR A 39 -16.562 8.473 -1.496 1.00 0.00 C ATOM 535 CZ TYR A 39 -17.705 8.548 -2.317 1.00 0.00 C ATOM 536 OH TYR A 39 -18.143 9.731 -2.820 1.00 0.00 O ATOM 0 H TYR A 39 -14.372 5.088 -2.601 1.00 0.00 H new ATOM 0 HA TYR A 39 -15.536 2.856 -1.041 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -17.356 4.217 -0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -15.853 4.936 0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -18.637 5.264 -2.243 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -15.266 7.171 -0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -19.340 7.444 -3.189 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -16.004 9.368 -1.261 1.00 0.00 H new ATOM 0 HH TYR A 39 -18.109 9.703 -3.799 1.00 0.00 H new ATOM 546 N LYS A 40 -17.553 2.716 -2.713 1.00 0.00 N ATOM 547 CA LYS A 40 -18.514 2.436 -3.767 1.00 0.00 C ATOM 548 C LYS A 40 -19.839 3.031 -3.344 1.00 0.00 C ATOM 549 O LYS A 40 -20.355 2.732 -2.269 1.00 0.00 O ATOM 550 CB LYS A 40 -18.571 0.945 -4.106 1.00 0.00 C ATOM 551 CG LYS A 40 -19.006 -0.012 -2.990 1.00 0.00 C ATOM 552 CD LYS A 40 -20.490 -0.383 -3.101 1.00 0.00 C ATOM 553 CE LYS A 40 -20.824 -1.415 -4.191 1.00 0.00 C ATOM 554 NZ LYS A 40 -20.263 -2.762 -3.943 1.00 0.00 N ATOM 0 H LYS A 40 -17.821 2.312 -1.816 1.00 0.00 H new ATOM 0 HA LYS A 40 -18.212 2.901 -4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.253 0.816 -4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.582 0.638 -4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.401 -0.918 -3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.819 0.451 -2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.824 -0.772 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -21.062 0.525 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.907 -1.496 -4.280 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.452 -1.049 -5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.797 -3.467 -4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.265 -2.781 -4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.333 -2.986 -2.930 1.00 0.00 H new ATOM 568 N LYS A 41 -20.355 3.932 -4.161 1.00 0.00 N ATOM 569 CA LYS A 41 -21.675 4.524 -4.052 1.00 0.00 C ATOM 570 C LYS A 41 -22.584 3.636 -4.866 1.00 0.00 C ATOM 571 O LYS A 41 -22.179 3.172 -5.934 1.00 0.00 O ATOM 572 CB LYS A 41 -21.622 5.930 -4.656 1.00 0.00 C ATOM 573 CG LYS A 41 -22.795 6.848 -4.295 1.00 0.00 C ATOM 574 CD LYS A 41 -22.494 8.268 -4.809 1.00 0.00 C ATOM 575 CE LYS A 41 -23.393 9.293 -4.117 1.00 0.00 C ATOM 576 NZ LYS A 41 -23.105 10.680 -4.547 1.00 0.00 N ATOM 0 H LYS A 41 -19.835 4.289 -4.962 1.00 0.00 H new ATOM 0 HA LYS A 41 -22.024 4.604 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.697 6.409 -4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.575 5.839 -5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.717 6.474 -4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.944 6.862 -3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.448 8.512 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.648 8.310 -5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.436 9.059 -4.330 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -23.263 9.216 -3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.740 11.337 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.118 10.916 -4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.255 10.764 -5.573 1.00 0.00 H new ATOM 590 N THR A 42 -23.784 3.384 -4.375 1.00 0.00 N ATOM 591 CA THR A 42 -24.813 2.719 -5.151 1.00 0.00 C ATOM 592 C THR A 42 -26.133 2.937 -4.428 1.00 0.00 C ATOM 593 O THR A 42 -26.203 2.792 -3.205 1.00 0.00 O ATOM 594 CB THR A 42 -24.458 1.238 -5.406 1.00 0.00 C ATOM 595 OG1 THR A 42 -25.492 0.585 -6.110 1.00 0.00 O ATOM 596 CG2 THR A 42 -24.070 0.430 -4.168 1.00 0.00 C ATOM 0 H THR A 42 -24.072 3.634 -3.429 1.00 0.00 H new ATOM 0 HA THR A 42 -24.898 3.142 -6.152 1.00 0.00 H new ATOM 0 HB THR A 42 -23.554 1.279 -6.013 1.00 0.00 H new ATOM 0 HG1 THR A 42 -25.320 -0.380 -6.123 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.841 -0.595 -4.460 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.194 0.879 -3.700 1.00 0.00 H new ATOM 0 HG23 THR A 42 -24.899 0.429 -3.460 1.00 0.00 H new ATOM 604 N GLY A 43 -27.164 3.326 -5.183 1.00 0.00 N ATOM 605 CA GLY A 43 -28.471 3.711 -4.675 1.00 0.00 C ATOM 606 C GLY A 43 -28.337 4.735 -3.553 1.00 0.00 C ATOM 607 O GLY A 43 -28.161 5.923 -3.815 1.00 0.00 O ATOM 0 H GLY A 43 -27.103 3.381 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -29.072 4.128 -5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -28.997 2.830 -4.308 1.00 0.00 H new ATOM 611 N ASN A 44 -28.399 4.270 -2.304 1.00 0.00 N ATOM 612 CA ASN A 44 -28.611 5.103 -1.128 1.00 0.00 C ATOM 613 C ASN A 44 -27.587 4.817 -0.020 1.00 0.00 C ATOM 614 O ASN A 44 -27.879 5.112 1.140 1.00 0.00 O ATOM 615 CB ASN A 44 -30.065 4.938 -0.644 1.00 0.00 C ATOM 616 CG ASN A 44 -31.066 5.377 -1.705 1.00 0.00 C ATOM 617 OD1 ASN A 44 -31.226 6.562 -1.961 1.00 0.00 O ATOM 618 ND2 ASN A 44 -31.725 4.447 -2.376 1.00 0.00 N ATOM 0 H ASN A 44 -28.300 3.280 -2.081 1.00 0.00 H new ATOM 0 HA ASN A 44 -28.453 6.146 -1.403 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -30.245 3.895 -0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -30.215 5.524 0.263 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -32.374 4.715 -3.115 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -31.584 3.462 -2.154 1.00 0.00 H new ATOM 625 N SER A 45 -26.415 4.235 -0.315 1.00 0.00 N ATOM 626 CA SER A 45 -25.313 4.183 0.644 1.00 0.00 C ATOM 627 C SER A 45 -23.952 4.214 -0.068 1.00 0.00 C ATOM 628 O SER A 45 -23.867 4.205 -1.302 1.00 0.00 O ATOM 629 CB SER A 45 -25.464 2.945 1.541 1.00 0.00 C ATOM 630 OG SER A 45 -24.809 3.134 2.789 1.00 0.00 O ATOM 0 H SER A 45 -26.211 3.795 -1.212 1.00 0.00 H new ATOM 0 HA SER A 45 -25.353 5.069 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 45 -26.521 2.741 1.709 1.00 0.00 H new ATOM 0 HB3 SER A 45 -25.047 2.073 1.036 1.00 0.00 H new ATOM 0 HG SER A 45 -24.921 2.333 3.342 1.00 0.00 H new ATOM 636 N THR A 46 -22.888 4.239 0.736 1.00 0.00 N ATOM 637 CA THR A 46 -21.498 4.393 0.333 1.00 0.00 C ATOM 638 C THR A 46 -20.623 3.410 1.119 1.00 0.00 C ATOM 639 O THR A 46 -20.166 3.724 2.219 1.00 0.00 O ATOM 640 CB THR A 46 -21.045 5.852 0.533 1.00 0.00 C ATOM 641 OG1 THR A 46 -21.574 6.410 1.730 1.00 0.00 O ATOM 642 CG2 THR A 46 -21.493 6.727 -0.637 1.00 0.00 C ATOM 0 H THR A 46 -22.985 4.146 1.747 1.00 0.00 H new ATOM 0 HA THR A 46 -21.394 4.163 -0.727 1.00 0.00 H new ATOM 0 HB THR A 46 -19.957 5.832 0.594 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.264 7.335 1.824 1.00 0.00 H new ATOM 0 HG21 THR A 46 -21.161 7.752 -0.472 1.00 0.00 H new ATOM 0 HG22 THR A 46 -21.058 6.349 -1.562 1.00 0.00 H new ATOM 0 HG23 THR A 46 -22.580 6.705 -0.712 1.00 0.00 H new ATOM 650 N LYS A 47 -20.387 2.211 0.583 1.00 0.00 N ATOM 651 CA LYS A 47 -19.541 1.220 1.248 1.00 0.00 C ATOM 652 C LYS A 47 -18.092 1.679 1.087 1.00 0.00 C ATOM 653 O LYS A 47 -17.562 1.601 -0.023 1.00 0.00 O ATOM 654 CB LYS A 47 -19.824 -0.194 0.692 1.00 0.00 C ATOM 655 CG LYS A 47 -19.696 -1.309 1.741 1.00 0.00 C ATOM 656 CD LYS A 47 -18.246 -1.688 2.071 1.00 0.00 C ATOM 657 CE LYS A 47 -17.749 -2.956 1.364 1.00 0.00 C ATOM 658 NZ LYS A 47 -18.394 -4.174 1.883 1.00 0.00 N ATOM 0 H LYS A 47 -20.771 1.903 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.757 1.147 2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -20.830 -0.215 0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.134 -0.397 -0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -20.196 -0.992 2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.220 -2.195 1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.595 -0.857 1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.155 -1.827 3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.942 -2.873 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.669 -3.039 1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.944 -5.012 1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.290 -4.208 2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.404 -4.163 1.637 1.00 0.00 H new ATOM 672 N ALA A 48 -17.484 2.222 2.142 1.00 0.00 N ATOM 673 CA ALA A 48 -16.062 2.551 2.156 1.00 0.00 C ATOM 674 C ALA A 48 -15.248 1.266 2.265 1.00 0.00 C ATOM 675 O ALA A 48 -15.692 0.305 2.906 1.00 0.00 O ATOM 676 CB ALA A 48 -15.746 3.500 3.313 1.00 0.00 C ATOM 0 H ALA A 48 -17.967 2.446 3.012 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.797 3.058 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.682 3.736 3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.322 4.418 3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -16.009 3.023 4.257 1.00 0.00 H new ATOM 682 N LEU A 49 -14.068 1.250 1.644 1.00 0.00 N ATOM 683 CA LEU A 49 -13.209 0.078 1.555 1.00 0.00 C ATOM 684 C LEU A 49 -11.881 0.338 2.246 1.00 0.00 C ATOM 685 O LEU A 49 -11.359 1.454 2.233 1.00 0.00 O ATOM 686 CB LEU A 49 -12.954 -0.301 0.084 1.00 0.00 C ATOM 687 CG LEU A 49 -14.219 -0.624 -0.732 1.00 0.00 C ATOM 688 CD1 LEU A 49 -13.851 -1.094 -2.139 1.00 0.00 C ATOM 689 CD2 LEU A 49 -15.055 -1.723 -0.078 1.00 0.00 C ATOM 0 H LEU A 49 -13.678 2.071 1.180 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.718 -0.748 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.426 0.520 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.291 -1.166 0.057 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.800 0.297 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.760 -1.317 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.294 -0.309 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -13.236 -1.992 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.938 -1.919 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.460 -2.633 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.364 -1.402 0.917 1.00 0.00 H new ATOM 701 N SER A 50 -11.312 -0.732 2.791 1.00 0.00 N ATOM 702 CA SER A 50 -9.927 -0.789 3.208 1.00 0.00 C ATOM 703 C SER A 50 -8.996 -0.675 1.995 1.00 0.00 C ATOM 704 O SER A 50 -9.414 -0.876 0.848 1.00 0.00 O ATOM 705 CB SER A 50 -9.728 -2.122 3.926 1.00 0.00 C ATOM 706 OG SER A 50 -10.439 -2.134 5.153 1.00 0.00 O ATOM 0 H SER A 50 -11.819 -1.602 2.956 1.00 0.00 H new ATOM 0 HA SER A 50 -9.687 0.040 3.873 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.072 -2.939 3.291 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.667 -2.287 4.112 1.00 0.00 H new ATOM 0 HG SER A 50 -10.304 -2.995 5.601 1.00 0.00 H new ATOM 712 N TRP A 51 -7.722 -0.396 2.255 1.00 0.00 N ATOM 713 CA TRP A 51 -6.650 -0.380 1.269 1.00 0.00 C ATOM 714 C TRP A 51 -5.352 -0.892 1.896 1.00 0.00 C ATOM 715 O TRP A 51 -5.328 -1.153 3.102 1.00 0.00 O ATOM 716 CB TRP A 51 -6.513 1.025 0.667 1.00 0.00 C ATOM 717 CG TRP A 51 -6.007 2.140 1.518 1.00 0.00 C ATOM 718 CD1 TRP A 51 -4.699 2.330 1.772 1.00 0.00 C ATOM 719 CD2 TRP A 51 -6.683 3.333 2.015 1.00 0.00 C ATOM 720 NE1 TRP A 51 -4.499 3.585 2.295 1.00 0.00 N ATOM 721 CE2 TRP A 51 -5.684 4.272 2.411 1.00 0.00 C ATOM 722 CE3 TRP A 51 -8.026 3.758 2.091 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -5.988 5.595 2.752 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -8.343 5.073 2.483 1.00 0.00 C ATOM 725 CH2 TRP A 51 -7.331 6.001 2.779 1.00 0.00 C ATOM 0 H TRP A 51 -7.397 -0.166 3.194 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.889 -1.055 0.447 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -5.853 0.948 -0.197 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -7.494 1.318 0.294 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.921 1.603 1.591 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -3.588 3.959 2.563 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -8.820 3.068 1.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.200 6.294 2.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -9.378 5.372 2.557 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.585 7.021 3.026 1.00 0.00 H new ATOM 736 N ASN A 52 -4.294 -1.063 1.095 1.00 0.00 N ATOM 737 CA ASN A 52 -2.992 -1.544 1.552 1.00 0.00 C ATOM 738 C ASN A 52 -1.876 -0.689 0.934 1.00 0.00 C ATOM 739 O ASN A 52 -2.167 0.181 0.104 1.00 0.00 O ATOM 740 CB ASN A 52 -2.882 -3.028 1.172 1.00 0.00 C ATOM 741 CG ASN A 52 -2.030 -3.811 2.155 1.00 0.00 C ATOM 742 OD1 ASN A 52 -0.817 -3.659 2.198 1.00 0.00 O ATOM 743 ND2 ASN A 52 -2.637 -4.697 2.923 1.00 0.00 N ATOM 0 H ASN A 52 -4.323 -0.867 0.094 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.888 -1.454 2.633 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.880 -3.465 1.130 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.454 -3.115 0.173 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.093 -5.271 3.568 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.650 -4.808 2.872 1.00 0.00 H new ATOM 750 N ALA A 53 -0.617 -0.916 1.317 1.00 0.00 N ATOM 751 CA ALA A 53 0.572 -0.317 0.720 1.00 0.00 C ATOM 752 C ALA A 53 1.706 -1.326 0.754 1.00 0.00 C ATOM 753 O ALA A 53 1.781 -2.152 1.666 1.00 0.00 O ATOM 754 CB ALA A 53 1.026 0.913 1.499 1.00 0.00 C ATOM 0 H ALA A 53 -0.392 -1.549 2.084 1.00 0.00 H new ATOM 0 HA ALA A 53 0.323 -0.026 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.914 1.335 1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.229 1.656 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.260 0.628 2.525 1.00 0.00 H new ATOM 760 N SER A 54 2.630 -1.216 -0.193 1.00 0.00 N ATOM 761 CA SER A 54 3.790 -2.089 -0.259 1.00 0.00 C ATOM 762 C SER A 54 4.856 -1.461 -1.148 1.00 0.00 C ATOM 763 O SER A 54 4.527 -0.913 -2.205 1.00 0.00 O ATOM 764 CB SER A 54 3.362 -3.466 -0.794 1.00 0.00 C ATOM 765 OG SER A 54 2.232 -3.418 -1.667 1.00 0.00 O ATOM 0 H SER A 54 2.594 -0.518 -0.936 1.00 0.00 H new ATOM 0 HA SER A 54 4.213 -2.221 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.201 -3.916 -1.325 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.131 -4.118 0.049 1.00 0.00 H new ATOM 0 HG SER A 54 2.015 -4.324 -1.971 1.00 0.00 H new ATOM 771 N GLY A 55 6.122 -1.576 -0.751 1.00 0.00 N ATOM 772 CA GLY A 55 7.273 -1.070 -1.475 1.00 0.00 C ATOM 773 C GLY A 55 8.477 -1.078 -0.543 1.00 0.00 C ATOM 774 O GLY A 55 8.775 -2.114 0.053 1.00 0.00 O ATOM 0 H GLY A 55 6.378 -2.044 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.469 -1.687 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.079 -0.059 -1.834 1.00 0.00 H new ATOM 778 N ASP A 56 9.151 0.067 -0.438 1.00 0.00 N ATOM 779 CA ASP A 56 10.388 0.293 0.307 1.00 0.00 C ATOM 780 C ASP A 56 10.208 0.035 1.809 1.00 0.00 C ATOM 781 O ASP A 56 9.090 0.045 2.333 1.00 0.00 O ATOM 782 CB ASP A 56 10.864 1.745 0.114 1.00 0.00 C ATOM 783 CG ASP A 56 11.138 2.150 -1.336 1.00 0.00 C ATOM 784 OD1 ASP A 56 10.162 2.298 -2.115 1.00 0.00 O ATOM 785 OD2 ASP A 56 12.315 2.362 -1.699 1.00 0.00 O ATOM 0 H ASP A 56 8.826 0.916 -0.901 1.00 0.00 H new ATOM 0 HA ASP A 56 11.127 -0.407 -0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.110 2.416 0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.775 1.893 0.695 1.00 0.00 H new ATOM 790 N SER A 57 11.335 -0.142 2.500 1.00 0.00 N ATOM 791 CA SER A 57 11.442 -0.637 3.872 1.00 0.00 C ATOM 792 C SER A 57 11.093 0.404 4.947 1.00 0.00 C ATOM 793 O SER A 57 10.808 0.043 6.088 1.00 0.00 O ATOM 794 CB SER A 57 12.887 -1.116 4.102 1.00 0.00 C ATOM 795 OG SER A 57 13.498 -1.602 2.911 1.00 0.00 O ATOM 0 H SER A 57 12.247 0.068 2.095 1.00 0.00 H new ATOM 0 HA SER A 57 10.714 -1.441 3.974 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.480 -0.293 4.500 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.889 -1.904 4.855 1.00 0.00 H new ATOM 0 HG SER A 57 14.413 -1.892 3.108 1.00 0.00 H new ATOM 801 N TRP A 58 11.106 1.693 4.604 1.00 0.00 N ATOM 802 CA TRP A 58 11.106 2.837 5.524 1.00 0.00 C ATOM 803 C TRP A 58 9.901 3.747 5.293 1.00 0.00 C ATOM 804 O TRP A 58 9.890 4.891 5.744 1.00 0.00 O ATOM 805 CB TRP A 58 12.428 3.604 5.360 1.00 0.00 C ATOM 806 CG TRP A 58 12.772 3.902 3.929 1.00 0.00 C ATOM 807 CD1 TRP A 58 13.371 3.040 3.078 1.00 0.00 C ATOM 808 CD2 TRP A 58 12.464 5.091 3.141 1.00 0.00 C ATOM 809 NE1 TRP A 58 13.454 3.606 1.828 1.00 0.00 N ATOM 810 CE2 TRP A 58 12.920 4.872 1.812 1.00 0.00 C ATOM 811 CE3 TRP A 58 11.847 6.332 3.405 1.00 0.00 C ATOM 812 CZ2 TRP A 58 12.787 5.831 0.804 1.00 0.00 C ATOM 813 CZ3 TRP A 58 11.713 7.313 2.403 1.00 0.00 C ATOM 814 CH2 TRP A 58 12.185 7.064 1.102 1.00 0.00 C ATOM 0 H TRP A 58 11.117 1.985 3.627 1.00 0.00 H new ATOM 0 HA TRP A 58 11.024 2.472 6.548 1.00 0.00 H new ATOM 0 HB2 TRP A 58 12.367 4.541 5.914 1.00 0.00 H new ATOM 0 HB3 TRP A 58 13.235 3.022 5.806 1.00 0.00 H new ATOM 0 HD1 TRP A 58 13.730 2.056 3.340 1.00 0.00 H new ATOM 0 HE1 TRP A 58 13.861 3.144 1.015 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.469 6.534 4.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.144 5.626 -0.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 11.246 8.259 2.635 1.00 0.00 H new ATOM 0 HH2 TRP A 58 12.085 7.818 0.335 1.00 0.00 H new ATOM 825 N ILE A 59 8.897 3.265 4.565 1.00 0.00 N ATOM 826 CA ILE A 59 7.693 3.997 4.228 1.00 0.00 C ATOM 827 C ILE A 59 6.578 3.189 4.875 1.00 0.00 C ATOM 828 O ILE A 59 6.017 2.274 4.266 1.00 0.00 O ATOM 829 CB ILE A 59 7.598 4.191 2.700 1.00 0.00 C ATOM 830 CG1 ILE A 59 8.840 4.974 2.204 1.00 0.00 C ATOM 831 CG2 ILE A 59 6.290 4.922 2.356 1.00 0.00 C ATOM 832 CD1 ILE A 59 8.904 5.253 0.701 1.00 0.00 C ATOM 0 H ILE A 59 8.906 2.319 4.183 1.00 0.00 H new ATOM 0 HA ILE A 59 7.652 5.020 4.601 1.00 0.00 H new ATOM 0 HB ILE A 59 7.584 3.225 2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.878 5.927 2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.733 4.417 2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.223 5.059 1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.441 4.331 2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.277 5.895 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.815 5.806 0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.905 4.309 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.037 5.843 0.403 1.00 0.00 H new ATOM 844 N HIS A 60 6.348 3.469 6.153 1.00 0.00 N ATOM 845 CA HIS A 60 5.415 2.742 6.995 1.00 0.00 C ATOM 846 C HIS A 60 4.033 3.319 6.742 1.00 0.00 C ATOM 847 O HIS A 60 3.890 4.538 6.652 1.00 0.00 O ATOM 848 CB HIS A 60 5.804 2.900 8.468 1.00 0.00 C ATOM 849 CG HIS A 60 7.226 2.504 8.756 1.00 0.00 C ATOM 850 ND1 HIS A 60 7.635 1.256 9.150 1.00 0.00 N ATOM 851 CD2 HIS A 60 8.339 3.289 8.615 1.00 0.00 C ATOM 852 CE1 HIS A 60 8.973 1.279 9.270 1.00 0.00 C ATOM 853 NE2 HIS A 60 9.448 2.494 8.933 1.00 0.00 N ATOM 0 H HIS A 60 6.820 4.230 6.642 1.00 0.00 H new ATOM 0 HA HIS A 60 5.429 1.677 6.762 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.656 3.938 8.766 1.00 0.00 H new ATOM 0 HB3 HIS A 60 5.135 2.295 9.080 1.00 0.00 H new ATOM 0 HD2 HIS A 60 8.358 4.326 8.315 1.00 0.00 H new ATOM 0 HE1 HIS A 60 9.580 0.445 9.590 1.00 0.00 H new ATOM 0 HE2 HIS A 60 10.427 2.780 8.913 1.00 0.00 H new ATOM 861 N VAL A 61 3.013 2.477 6.627 1.00 0.00 N ATOM 862 CA VAL A 61 1.696 2.936 6.197 1.00 0.00 C ATOM 863 C VAL A 61 0.647 2.289 7.083 1.00 0.00 C ATOM 864 O VAL A 61 0.177 1.184 6.806 1.00 0.00 O ATOM 865 CB VAL A 61 1.476 2.673 4.696 1.00 0.00 C ATOM 866 CG1 VAL A 61 0.281 3.499 4.223 1.00 0.00 C ATOM 867 CG2 VAL A 61 2.702 3.004 3.833 1.00 0.00 C ATOM 0 H VAL A 61 3.071 1.478 6.824 1.00 0.00 H new ATOM 0 HA VAL A 61 1.615 4.017 6.311 1.00 0.00 H new ATOM 0 HB VAL A 61 1.293 1.605 4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.114 3.322 3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.607 3.208 4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.483 4.558 4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.478 2.795 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.953 4.059 3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.547 2.393 4.152 1.00 0.00 H new ATOM 877 N ASN A 62 0.318 2.955 8.188 1.00 0.00 N ATOM 878 CA ASN A 62 -0.538 2.393 9.209 1.00 0.00 C ATOM 879 C ASN A 62 -2.004 2.455 8.786 1.00 0.00 C ATOM 880 O ASN A 62 -2.721 3.410 9.112 1.00 0.00 O ATOM 881 CB ASN A 62 -0.278 3.065 10.557 1.00 0.00 C ATOM 882 CG ASN A 62 -0.663 2.075 11.633 1.00 0.00 C ATOM 883 OD1 ASN A 62 -1.842 1.865 11.901 1.00 0.00 O ATOM 884 ND2 ASN A 62 0.312 1.409 12.219 1.00 0.00 N ATOM 0 H ASN A 62 0.642 3.900 8.393 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.297 1.337 9.332 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.771 3.346 10.651 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.863 3.980 10.650 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.096 0.697 12.916 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.283 1.606 11.975 1.00 0.00 H new ATOM 891 N GLY A 63 -2.454 1.440 8.052 1.00 0.00 N ATOM 892 CA GLY A 63 -3.783 1.382 7.469 1.00 0.00 C ATOM 893 C GLY A 63 -3.921 2.502 6.450 1.00 0.00 C ATOM 894 O GLY A 63 -3.360 2.406 5.360 1.00 0.00 O ATOM 0 H GLY A 63 -1.887 0.618 7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.944 0.415 6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.541 1.483 8.246 1.00 0.00 H new ATOM 898 N SER A 64 -4.643 3.565 6.803 1.00 0.00 N ATOM 899 CA SER A 64 -4.852 4.731 5.958 1.00 0.00 C ATOM 900 C SER A 64 -3.898 5.890 6.284 1.00 0.00 C ATOM 901 O SER A 64 -3.874 6.867 5.532 1.00 0.00 O ATOM 902 CB SER A 64 -6.331 5.142 6.043 1.00 0.00 C ATOM 903 OG SER A 64 -6.884 4.906 7.330 1.00 0.00 O ATOM 0 H SER A 64 -5.109 3.637 7.708 1.00 0.00 H new ATOM 0 HA SER A 64 -4.613 4.463 4.929 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.426 6.200 5.798 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.903 4.589 5.298 1.00 0.00 H new ATOM 0 HG SER A 64 -7.824 5.183 7.338 1.00 0.00 H new ATOM 909 N SER A 65 -3.102 5.811 7.354 1.00 0.00 N ATOM 910 CA SER A 65 -2.085 6.801 7.688 1.00 0.00 C ATOM 911 C SER A 65 -0.798 6.511 6.910 1.00 0.00 C ATOM 912 O SER A 65 -0.625 5.409 6.396 1.00 0.00 O ATOM 913 CB SER A 65 -1.821 6.762 9.199 1.00 0.00 C ATOM 914 OG SER A 65 -3.026 6.896 9.940 1.00 0.00 O ATOM 0 H SER A 65 -3.151 5.042 8.022 1.00 0.00 H new ATOM 0 HA SER A 65 -2.435 7.796 7.412 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.334 5.823 9.461 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.134 7.564 9.471 1.00 0.00 H new ATOM 0 HG SER A 65 -2.826 6.866 10.899 1.00 0.00 H new ATOM 920 N VAL A 66 0.122 7.472 6.844 1.00 0.00 N ATOM 921 CA VAL A 66 1.421 7.365 6.188 1.00 0.00 C ATOM 922 C VAL A 66 2.502 7.746 7.200 1.00 0.00 C ATOM 923 O VAL A 66 2.241 8.424 8.197 1.00 0.00 O ATOM 924 CB VAL A 66 1.431 8.214 4.886 1.00 0.00 C ATOM 925 CG1 VAL A 66 0.914 9.647 5.081 1.00 0.00 C ATOM 926 CG2 VAL A 66 2.805 8.317 4.203 1.00 0.00 C ATOM 0 H VAL A 66 -0.026 8.388 7.267 1.00 0.00 H new ATOM 0 HA VAL A 66 1.629 6.344 5.866 1.00 0.00 H new ATOM 0 HB VAL A 66 0.752 7.654 4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.950 10.179 4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.114 9.617 5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.539 10.163 5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.719 8.927 3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.518 8.778 4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.153 7.320 3.934 1.00 0.00 H new ATOM 936 N SER A 67 3.726 7.300 6.956 1.00 0.00 N ATOM 937 CA SER A 67 4.936 7.742 7.601 1.00 0.00 C ATOM 938 C SER A 67 6.088 7.436 6.657 1.00 0.00 C ATOM 939 O SER A 67 5.987 6.558 5.794 1.00 0.00 O ATOM 940 CB SER A 67 5.094 6.986 8.921 1.00 0.00 C ATOM 941 OG SER A 67 6.218 7.370 9.682 1.00 0.00 O ATOM 0 H SER A 67 3.902 6.576 6.259 1.00 0.00 H new ATOM 0 HA SER A 67 4.914 8.810 7.820 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.196 7.135 9.521 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.162 5.919 8.709 1.00 0.00 H new ATOM 0 HG SER A 67 5.943 8.009 10.372 1.00 0.00 H new ATOM 947 N TYR A 68 7.190 8.143 6.856 1.00 0.00 N ATOM 948 CA TYR A 68 8.485 7.784 6.328 1.00 0.00 C ATOM 949 C TYR A 68 9.550 8.447 7.192 1.00 0.00 C ATOM 950 O TYR A 68 9.247 9.301 8.034 1.00 0.00 O ATOM 951 CB TYR A 68 8.598 8.116 4.828 1.00 0.00 C ATOM 952 CG TYR A 68 7.808 9.307 4.319 1.00 0.00 C ATOM 953 CD1 TYR A 68 8.312 10.611 4.472 1.00 0.00 C ATOM 954 CD2 TYR A 68 6.575 9.106 3.661 1.00 0.00 C ATOM 955 CE1 TYR A 68 7.599 11.703 3.951 1.00 0.00 C ATOM 956 CE2 TYR A 68 5.856 10.193 3.150 1.00 0.00 C ATOM 957 CZ TYR A 68 6.379 11.494 3.267 1.00 0.00 C ATOM 958 OH TYR A 68 5.696 12.516 2.694 1.00 0.00 O ATOM 0 H TYR A 68 7.202 9.003 7.404 1.00 0.00 H new ATOM 0 HA TYR A 68 8.634 6.705 6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.650 8.285 4.598 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.286 7.238 4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.246 10.772 4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.183 8.106 3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.983 12.705 4.073 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.903 10.034 2.668 1.00 0.00 H new ATOM 0 HH TYR A 68 6.027 13.369 3.046 1.00 0.00 H new ATOM 968 N ASP A 69 10.797 8.035 6.991 1.00 0.00 N ATOM 969 CA ASP A 69 11.955 8.492 7.743 1.00 0.00 C ATOM 970 C ASP A 69 13.072 8.797 6.743 1.00 0.00 C ATOM 971 O ASP A 69 13.054 8.301 5.609 1.00 0.00 O ATOM 972 CB ASP A 69 12.387 7.399 8.735 1.00 0.00 C ATOM 973 CG ASP A 69 11.511 7.415 9.985 1.00 0.00 C ATOM 974 OD1 ASP A 69 11.583 8.394 10.757 1.00 0.00 O ATOM 975 OD2 ASP A 69 10.708 6.474 10.183 1.00 0.00 O ATOM 0 H ASP A 69 11.035 7.350 6.274 1.00 0.00 H new ATOM 0 HA ASP A 69 11.721 9.390 8.315 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.324 6.422 8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 69 13.429 7.549 9.016 1.00 0.00 H new ATOM 980 N GLU A 70 14.049 9.610 7.142 1.00 0.00 N ATOM 981 CA GLU A 70 15.101 10.078 6.240 1.00 0.00 C ATOM 982 C GLU A 70 16.095 8.981 5.855 1.00 0.00 C ATOM 983 O GLU A 70 16.149 7.902 6.454 1.00 0.00 O ATOM 984 CB GLU A 70 15.806 11.306 6.830 1.00 0.00 C ATOM 985 CG GLU A 70 15.369 12.554 6.056 1.00 0.00 C ATOM 986 CD GLU A 70 15.923 13.814 6.703 1.00 0.00 C ATOM 987 OE1 GLU A 70 17.156 13.949 6.835 1.00 0.00 O ATOM 988 OE2 GLU A 70 15.121 14.678 7.124 1.00 0.00 O ATOM 0 H GLU A 70 14.134 9.962 8.096 1.00 0.00 H new ATOM 0 HA GLU A 70 14.616 10.372 5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.557 11.412 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.887 11.185 6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.715 12.487 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.281 12.605 6.024 1.00 0.00 H new ATOM 995 N ASN A 71 16.870 9.240 4.805 1.00 0.00 N ATOM 996 CA ASN A 71 18.042 8.471 4.405 1.00 0.00 C ATOM 997 C ASN A 71 19.212 8.841 5.332 1.00 0.00 C ATOM 998 O ASN A 71 19.343 9.989 5.728 1.00 0.00 O ATOM 999 CB ASN A 71 18.424 8.759 2.933 1.00 0.00 C ATOM 1000 CG ASN A 71 18.614 10.237 2.596 1.00 0.00 C ATOM 1001 OD1 ASN A 71 17.965 11.098 3.176 1.00 0.00 O ATOM 1002 ND2 ASN A 71 19.415 10.561 1.598 1.00 0.00 N ATOM 0 H ASN A 71 16.689 10.028 4.183 1.00 0.00 H new ATOM 0 HA ASN A 71 17.815 7.408 4.487 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.347 8.227 2.701 1.00 0.00 H new ATOM 0 HB3 ASN A 71 17.649 8.350 2.285 1.00 0.00 H new ATOM 0 HD21 ASN A 71 19.497 11.535 1.305 1.00 0.00 H new ATOM 0 HD22 ASN A 71 19.952 9.838 1.120 1.00 0.00 H new ATOM 1009 N PRO A 72 20.088 7.886 5.675 1.00 0.00 N ATOM 1010 CA PRO A 72 21.253 8.096 6.533 1.00 0.00 C ATOM 1011 C PRO A 72 22.524 8.489 5.762 1.00 0.00 C ATOM 1012 O PRO A 72 23.578 8.667 6.369 1.00 0.00 O ATOM 1013 CB PRO A 72 21.450 6.753 7.224 1.00 0.00 C ATOM 1014 CG PRO A 72 21.059 5.765 6.133 1.00 0.00 C ATOM 1015 CD PRO A 72 19.899 6.465 5.444 1.00 0.00 C ATOM 0 HA PRO A 72 21.081 8.927 7.218 1.00 0.00 H new ATOM 0 HB2 PRO A 72 22.480 6.611 7.551 1.00 0.00 H new ATOM 0 HB3 PRO A 72 20.819 6.654 8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 72 21.883 5.575 5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 72 20.761 4.802 6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 72 19.888 6.242 4.377 1.00 0.00 H new ATOM 0 HD3 PRO A 72 18.945 6.128 5.850 1.00 0.00 H new ATOM 1023 N ALA A 73 22.483 8.509 4.425 1.00 0.00 N ATOM 1024 CA ALA A 73 23.589 8.993 3.606 1.00 0.00 C ATOM 1025 C ALA A 73 23.355 10.456 3.226 1.00 0.00 C ATOM 1026 O ALA A 73 22.222 10.934 3.214 1.00 0.00 O ATOM 1027 CB ALA A 73 23.728 8.124 2.349 1.00 0.00 C ATOM 0 H ALA A 73 21.679 8.189 3.884 1.00 0.00 H new ATOM 0 HA ALA A 73 24.515 8.927 4.177 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.556 8.491 1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 73 23.922 7.092 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 73 22.805 8.171 1.770 1.00 0.00 H new ATOM 1033 N LYS A 74 24.424 11.142 2.815 1.00 0.00 N ATOM 1034 CA LYS A 74 24.407 12.506 2.302 1.00 0.00 C ATOM 1035 C LYS A 74 24.527 12.436 0.790 1.00 0.00 C ATOM 1036 O LYS A 74 25.508 12.854 0.167 1.00 0.00 O ATOM 1037 CB LYS A 74 25.408 13.420 3.020 1.00 0.00 C ATOM 1038 CG LYS A 74 26.833 12.861 3.084 1.00 0.00 C ATOM 1039 CD LYS A 74 27.850 13.849 2.521 1.00 0.00 C ATOM 1040 CE LYS A 74 29.247 13.282 2.768 1.00 0.00 C ATOM 1041 NZ LYS A 74 30.268 14.005 1.992 1.00 0.00 N ATOM 0 H LYS A 74 25.362 10.742 2.833 1.00 0.00 H new ATOM 0 HA LYS A 74 23.460 12.998 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 74 25.430 14.385 2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 74 25.055 13.601 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 74 27.086 12.627 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 74 26.884 11.927 2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 74 27.684 14.001 1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 74 27.743 14.821 3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 74 29.484 13.345 3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 74 29.265 12.226 2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 31.204 13.595 2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 30.055 13.924 0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 30.267 15.008 2.267 1.00 0.00 H new ATOM 1055 N GLU A 75 23.511 11.815 0.213 1.00 0.00 N ATOM 1056 CA GLU A 75 23.211 11.822 -1.206 1.00 0.00 C ATOM 1057 C GLU A 75 21.724 12.124 -1.366 1.00 0.00 C ATOM 1058 O GLU A 75 21.007 12.262 -0.374 1.00 0.00 O ATOM 1059 CB GLU A 75 23.601 10.477 -1.827 1.00 0.00 C ATOM 1060 CG GLU A 75 25.108 10.207 -1.723 1.00 0.00 C ATOM 1061 CD GLU A 75 25.529 8.947 -2.472 1.00 0.00 C ATOM 1062 OE1 GLU A 75 24.727 7.990 -2.615 1.00 0.00 O ATOM 1063 OE2 GLU A 75 26.699 8.885 -2.915 1.00 0.00 O ATOM 0 H GLU A 75 22.841 11.265 0.751 1.00 0.00 H new ATOM 0 HA GLU A 75 23.784 12.587 -1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 75 23.055 9.676 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.302 10.462 -2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.655 11.062 -2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 75 25.385 10.111 -0.673 1.00 0.00 H new ATOM 1070 N ARG A 76 21.230 12.247 -2.598 1.00 0.00 N ATOM 1071 CA ARG A 76 19.786 12.266 -2.820 1.00 0.00 C ATOM 1072 C ARG A 76 19.289 10.835 -2.709 1.00 0.00 C ATOM 1073 O ARG A 76 20.045 9.893 -2.989 1.00 0.00 O ATOM 1074 CB ARG A 76 19.483 12.819 -4.215 1.00 0.00 C ATOM 1075 CG ARG A 76 18.115 13.502 -4.327 1.00 0.00 C ATOM 1076 CD ARG A 76 17.939 14.131 -5.718 1.00 0.00 C ATOM 1077 NE ARG A 76 17.062 15.316 -5.693 1.00 0.00 N ATOM 1078 CZ ARG A 76 16.216 15.711 -6.653 1.00 0.00 C ATOM 1079 NH1 ARG A 76 16.054 14.975 -7.754 1.00 0.00 N ATOM 1080 NH2 ARG A 76 15.510 16.826 -6.504 1.00 0.00 N ATOM 0 H ARG A 76 21.796 12.333 -3.442 1.00 0.00 H new ATOM 0 HA ARG A 76 19.291 12.901 -2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 76 20.259 13.534 -4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 76 19.532 12.004 -4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.323 12.775 -4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 76 18.022 14.270 -3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 76 18.915 14.413 -6.112 1.00 0.00 H new ATOM 0 HD3 ARG A 76 17.523 13.389 -6.399 1.00 0.00 H new ATOM 0 HE ARG A 76 17.104 15.897 -4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.576 14.106 -7.868 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.408 15.281 -8.482 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.611 17.384 -5.656 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.867 17.124 -7.237 1.00 0.00 H new ATOM 1094 N ARG A 77 18.003 10.654 -2.420 1.00 0.00 N ATOM 1095 CA ARG A 77 17.353 9.354 -2.528 1.00 0.00 C ATOM 1096 C ARG A 77 15.880 9.572 -2.857 1.00 0.00 C ATOM 1097 O ARG A 77 15.409 10.709 -2.902 1.00 0.00 O ATOM 1098 CB ARG A 77 17.601 8.595 -1.206 1.00 0.00 C ATOM 1099 CG ARG A 77 17.335 7.083 -1.198 1.00 0.00 C ATOM 1100 CD ARG A 77 18.028 6.337 -2.348 1.00 0.00 C ATOM 1101 NE ARG A 77 18.272 4.921 -2.030 1.00 0.00 N ATOM 1102 CZ ARG A 77 17.387 3.944 -1.810 1.00 0.00 C ATOM 1103 NH1 ARG A 77 16.079 4.133 -1.964 1.00 0.00 N ATOM 1104 NH2 ARG A 77 17.819 2.753 -1.412 1.00 0.00 N ATOM 0 H ARG A 77 17.385 11.402 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 77 17.758 8.741 -3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 77 18.639 8.756 -0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.980 9.050 -0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.673 6.667 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.260 6.910 -1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.412 6.405 -3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.976 6.824 -2.575 1.00 0.00 H new ATOM 0 HE ARG A 77 19.253 4.647 -1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.726 5.044 -2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.429 3.367 -1.788 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.817 2.591 -1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.153 2.000 -1.241 1.00 0.00 H new ATOM 1118 N THR A 78 15.161 8.489 -3.125 1.00 0.00 N ATOM 1119 CA THR A 78 13.719 8.443 -3.010 1.00 0.00 C ATOM 1120 C THR A 78 13.328 7.016 -2.636 1.00 0.00 C ATOM 1121 O THR A 78 14.123 6.078 -2.804 1.00 0.00 O ATOM 1122 CB THR A 78 13.054 8.960 -4.306 1.00 0.00 C ATOM 1123 OG1 THR A 78 11.650 9.114 -4.187 1.00 0.00 O ATOM 1124 CG2 THR A 78 13.313 8.085 -5.534 1.00 0.00 C ATOM 0 H THR A 78 15.574 7.609 -3.432 1.00 0.00 H new ATOM 0 HA THR A 78 13.357 9.107 -2.225 1.00 0.00 H new ATOM 0 HB THR A 78 13.529 9.930 -4.452 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.227 8.231 -4.144 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.812 8.517 -6.401 1.00 0.00 H new ATOM 0 HG22 THR A 78 14.385 8.032 -5.723 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.926 7.082 -5.354 1.00 0.00 H new ATOM 1132 N GLY A 79 12.082 6.847 -2.203 1.00 0.00 N ATOM 1133 CA GLY A 79 11.345 5.592 -2.250 1.00 0.00 C ATOM 1134 C GLY A 79 10.277 5.706 -3.335 1.00 0.00 C ATOM 1135 O GLY A 79 10.164 6.777 -3.952 1.00 0.00 O ATOM 0 H GLY A 79 11.540 7.609 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.019 4.763 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.885 5.385 -1.284 1.00 0.00 H new ATOM 1139 N LEU A 80 9.525 4.631 -3.593 1.00 0.00 N ATOM 1140 CA LEU A 80 8.441 4.653 -4.575 1.00 0.00 C ATOM 1141 C LEU A 80 7.391 3.556 -4.339 1.00 0.00 C ATOM 1142 O LEU A 80 7.236 2.647 -5.162 1.00 0.00 O ATOM 1143 CB LEU A 80 9.013 4.577 -6.005 1.00 0.00 C ATOM 1144 CG LEU A 80 7.961 5.140 -6.975 1.00 0.00 C ATOM 1145 CD1 LEU A 80 8.058 6.668 -7.028 1.00 0.00 C ATOM 1146 CD2 LEU A 80 8.151 4.577 -8.377 1.00 0.00 C ATOM 0 H LEU A 80 9.650 3.730 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 80 7.918 5.601 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.939 5.148 -6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.255 3.546 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 80 6.978 4.845 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.309 7.056 -7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.883 7.078 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.051 6.958 -7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.393 4.992 -9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.142 4.843 -8.745 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.054 3.492 -8.350 1.00 0.00 H new ATOM 1158 N VAL A 81 6.654 3.613 -3.226 1.00 0.00 N ATOM 1159 CA VAL A 81 5.759 2.499 -2.884 1.00 0.00 C ATOM 1160 C VAL A 81 4.489 2.529 -3.742 1.00 0.00 C ATOM 1161 O VAL A 81 4.247 3.491 -4.478 1.00 0.00 O ATOM 1162 CB VAL A 81 5.462 2.415 -1.369 1.00 0.00 C ATOM 1163 CG1 VAL A 81 6.755 2.613 -0.575 1.00 0.00 C ATOM 1164 CG2 VAL A 81 4.351 3.336 -0.843 1.00 0.00 C ATOM 0 H VAL A 81 6.655 4.390 -2.565 1.00 0.00 H new ATOM 0 HA VAL A 81 6.285 1.575 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 81 5.061 1.413 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.540 2.553 0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.470 1.836 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.177 3.591 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.234 3.188 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.616 4.375 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.414 3.099 -1.346 1.00 0.00 H new ATOM 1174 N THR A 82 3.673 1.481 -3.651 1.00 0.00 N ATOM 1175 CA THR A 82 2.406 1.323 -4.356 1.00 0.00 C ATOM 1176 C THR A 82 1.300 1.089 -3.321 1.00 0.00 C ATOM 1177 O THR A 82 1.604 0.779 -2.166 1.00 0.00 O ATOM 1178 CB THR A 82 2.525 0.146 -5.345 1.00 0.00 C ATOM 1179 OG1 THR A 82 3.799 0.119 -5.967 1.00 0.00 O ATOM 1180 CG2 THR A 82 1.432 0.185 -6.417 1.00 0.00 C ATOM 0 H THR A 82 3.889 0.682 -3.055 1.00 0.00 H new ATOM 0 HA THR A 82 2.158 2.217 -4.928 1.00 0.00 H new ATOM 0 HB THR A 82 2.398 -0.763 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.844 -0.639 -6.587 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.554 -0.662 -7.092 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.453 0.131 -5.941 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.510 1.114 -6.982 1.00 0.00 H new ATOM 1188 N LEU A 83 0.028 1.229 -3.722 1.00 0.00 N ATOM 1189 CA LEU A 83 -1.146 0.916 -2.904 1.00 0.00 C ATOM 1190 C LEU A 83 -2.049 -0.051 -3.669 1.00 0.00 C ATOM 1191 O LEU A 83 -1.884 -0.207 -4.881 1.00 0.00 O ATOM 1192 CB LEU A 83 -1.990 2.164 -2.544 1.00 0.00 C ATOM 1193 CG LEU A 83 -1.320 3.546 -2.426 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -2.402 4.520 -1.951 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -0.110 3.695 -1.509 1.00 0.00 C ATOM 0 H LEU A 83 -0.216 1.573 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.771 0.482 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.776 2.249 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.479 1.960 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.907 3.740 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.975 5.518 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.214 4.544 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.788 4.193 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.243 4.726 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.393 3.436 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.685 3.030 -1.845 1.00 0.00 H new ATOM 1207 N LYS A 84 -3.073 -0.599 -3.006 1.00 0.00 N ATOM 1208 CA LYS A 84 -4.234 -1.215 -3.659 1.00 0.00 C ATOM 1209 C LYS A 84 -5.446 -1.133 -2.735 1.00 0.00 C ATOM 1210 O LYS A 84 -5.274 -0.762 -1.580 1.00 0.00 O ATOM 1211 CB LYS A 84 -3.929 -2.678 -3.974 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.565 -3.119 -5.307 1.00 0.00 C ATOM 1213 CD LYS A 84 -5.417 -4.374 -5.106 1.00 0.00 C ATOM 1214 CE LYS A 84 -5.761 -5.062 -6.424 1.00 0.00 C ATOM 1215 NZ LYS A 84 -6.332 -6.400 -6.166 1.00 0.00 N ATOM 0 H LYS A 84 -3.120 -0.628 -1.987 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.450 -0.683 -4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.850 -2.823 -4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.301 -3.309 -3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.182 -2.314 -5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.784 -3.316 -6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.882 -5.073 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.338 -4.105 -4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.473 -4.456 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.866 -5.153 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.562 -6.859 -7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.639 -6.979 -5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.197 -6.304 -5.596 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.647 -1.509 -3.192 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.892 -1.409 -2.417 1.00 0.00 C ATOM 1231 C GLN A 85 -8.424 -2.805 -2.056 1.00 0.00 C ATOM 1232 O GLN A 85 -7.936 -3.814 -2.566 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.917 -0.619 -3.247 1.00 0.00 C ATOM 1234 CG GLN A 85 -10.039 0.094 -2.466 1.00 0.00 C ATOM 1235 CD GLN A 85 -10.195 1.554 -2.898 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -9.379 2.382 -2.518 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -11.185 1.925 -3.697 1.00 0.00 N ATOM 0 H GLN A 85 -6.784 -1.897 -4.125 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.705 -0.887 -1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.379 0.129 -3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.379 -1.304 -3.958 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.981 -0.433 -2.620 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.822 0.052 -1.399 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.868 1.238 -4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.264 2.898 -3.993 1.00 0.00 H new ATOM 1246 N ASP A 86 -9.462 -2.872 -1.218 1.00 0.00 N ATOM 1247 CA ASP A 86 -10.114 -4.121 -0.806 1.00 0.00 C ATOM 1248 C ASP A 86 -10.617 -4.929 -2.000 1.00 0.00 C ATOM 1249 O ASP A 86 -10.289 -6.103 -2.135 1.00 0.00 O ATOM 1250 CB ASP A 86 -11.279 -3.835 0.139 1.00 0.00 C ATOM 1251 CG ASP A 86 -11.979 -5.108 0.614 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -11.354 -6.187 0.684 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -13.172 -4.987 0.986 1.00 0.00 O ATOM 0 H ASP A 86 -9.882 -2.043 -0.798 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.359 -4.714 -0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -10.913 -3.282 1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.002 -3.194 -0.366 1.00 0.00 H new ATOM 1258 N GLU A 87 -11.374 -4.285 -2.888 1.00 0.00 N ATOM 1259 CA GLU A 87 -11.845 -4.881 -4.136 1.00 0.00 C ATOM 1260 C GLU A 87 -11.152 -4.214 -5.320 1.00 0.00 C ATOM 1261 O GLU A 87 -10.766 -4.879 -6.277 1.00 0.00 O ATOM 1262 CB GLU A 87 -13.349 -4.661 -4.304 1.00 0.00 C ATOM 1263 CG GLU A 87 -14.239 -5.284 -3.230 1.00 0.00 C ATOM 1264 CD GLU A 87 -15.673 -4.830 -3.486 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -16.332 -5.352 -4.414 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -16.120 -3.864 -2.829 1.00 0.00 O ATOM 0 H GLU A 87 -11.681 -3.321 -2.758 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.622 -5.947 -4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.539 -3.588 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.649 -5.060 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.172 -6.371 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.912 -4.974 -2.237 1.00 0.00 H new ATOM 1273 N SER A 88 -11.031 -2.887 -5.266 1.00 0.00 N ATOM 1274 CA SER A 88 -10.566 -2.044 -6.354 1.00 0.00 C ATOM 1275 C SER A 88 -9.055 -2.224 -6.595 1.00 0.00 C ATOM 1276 O SER A 88 -8.407 -3.106 -6.032 1.00 0.00 O ATOM 1277 CB SER A 88 -10.948 -0.580 -6.066 1.00 0.00 C ATOM 1278 OG SER A 88 -12.098 -0.501 -5.243 1.00 0.00 O ATOM 0 H SER A 88 -11.265 -2.355 -4.428 1.00 0.00 H new ATOM 0 HA SER A 88 -11.056 -2.345 -7.280 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.114 -0.073 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.134 -0.059 -7.005 1.00 0.00 H new ATOM 0 HG SER A 88 -12.844 -0.964 -5.678 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.476 -1.356 -7.417 1.00 0.00 N ATOM 1285 CA GLY A 89 -7.083 -1.349 -7.806 1.00 0.00 C ATOM 1286 C GLY A 89 -6.535 0.064 -7.663 1.00 0.00 C ATOM 1287 O GLY A 89 -5.868 0.551 -8.572 1.00 0.00 O ATOM 0 H GLY A 89 -9.002 -0.598 -7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.514 -2.038 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.978 -1.691 -8.836 1.00 0.00 H new ATOM 1291 N LYS A 90 -6.885 0.765 -6.568 1.00 0.00 N ATOM 1292 CA LYS A 90 -6.347 2.081 -6.256 1.00 0.00 C ATOM 1293 C LYS A 90 -4.841 1.984 -6.153 1.00 0.00 C ATOM 1294 O LYS A 90 -4.322 1.630 -5.102 1.00 0.00 O ATOM 1295 CB LYS A 90 -6.904 2.667 -4.943 1.00 0.00 C ATOM 1296 CG LYS A 90 -7.923 3.767 -5.201 1.00 0.00 C ATOM 1297 CD LYS A 90 -7.994 4.907 -4.174 1.00 0.00 C ATOM 1298 CE LYS A 90 -6.676 5.618 -3.863 1.00 0.00 C ATOM 1299 NZ LYS A 90 -5.962 4.967 -2.746 1.00 0.00 N ATOM 0 H LYS A 90 -7.554 0.423 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.649 2.752 -7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.368 1.872 -4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.083 3.065 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.711 4.203 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.909 3.307 -5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.707 5.649 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.395 4.505 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.043 5.618 -4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.874 6.660 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.470 5.688 -2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.644 4.463 -2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.268 4.291 -3.124 1.00 0.00 H new ATOM 1313 N THR A 91 -4.157 2.330 -7.218 1.00 0.00 N ATOM 1314 CA THR A 91 -2.726 2.335 -7.299 1.00 0.00 C ATOM 1315 C THR A 91 -2.354 3.816 -7.381 1.00 0.00 C ATOM 1316 O THR A 91 -2.720 4.519 -8.328 1.00 0.00 O ATOM 1317 CB THR A 91 -2.281 1.471 -8.488 1.00 0.00 C ATOM 1318 OG1 THR A 91 -3.143 1.618 -9.607 1.00 0.00 O ATOM 1319 CG2 THR A 91 -2.265 -0.018 -8.123 1.00 0.00 C ATOM 0 H THR A 91 -4.606 2.627 -8.084 1.00 0.00 H new ATOM 0 HA THR A 91 -2.212 1.890 -6.447 1.00 0.00 H new ATOM 0 HB THR A 91 -1.279 1.816 -8.742 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.002 1.186 -9.417 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.946 -0.601 -8.987 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.572 -0.183 -7.298 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.266 -0.330 -7.825 1.00 0.00 H new ATOM 1327 N LEU A 92 -1.739 4.314 -6.313 1.00 0.00 N ATOM 1328 CA LEU A 92 -1.071 5.613 -6.231 1.00 0.00 C ATOM 1329 C LEU A 92 0.419 5.273 -6.090 1.00 0.00 C ATOM 1330 O LEU A 92 0.767 4.122 -5.807 1.00 0.00 O ATOM 1331 CB LEU A 92 -1.576 6.444 -5.019 1.00 0.00 C ATOM 1332 CG LEU A 92 -2.872 7.286 -5.176 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -3.964 6.701 -6.081 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -3.515 7.595 -3.822 1.00 0.00 C ATOM 0 H LEU A 92 -1.689 3.797 -5.435 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.274 6.230 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.728 5.756 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.775 7.123 -4.728 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.501 8.185 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.816 7.380 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.570 6.571 -7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.283 5.735 -5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.419 8.185 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.771 6.662 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.814 8.158 -3.206 1.00 0.00 H new ATOM 1346 N SER A 93 1.288 6.258 -6.284 1.00 0.00 N ATOM 1347 CA SER A 93 2.732 6.153 -6.123 1.00 0.00 C ATOM 1348 C SER A 93 3.182 7.271 -5.185 1.00 0.00 C ATOM 1349 O SER A 93 2.615 8.369 -5.243 1.00 0.00 O ATOM 1350 CB SER A 93 3.382 6.251 -7.506 1.00 0.00 C ATOM 1351 OG SER A 93 4.781 6.129 -7.420 1.00 0.00 O ATOM 0 H SER A 93 0.992 7.191 -6.570 1.00 0.00 H new ATOM 0 HA SER A 93 3.031 5.201 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.985 5.469 -8.154 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.125 7.206 -7.965 1.00 0.00 H new ATOM 0 HG SER A 93 5.171 6.193 -8.317 1.00 0.00 H new ATOM 1357 N LEU A 94 4.189 7.010 -4.345 1.00 0.00 N ATOM 1358 CA LEU A 94 4.627 7.872 -3.245 1.00 0.00 C ATOM 1359 C LEU A 94 6.121 8.128 -3.381 1.00 0.00 C ATOM 1360 O LEU A 94 6.921 7.235 -3.106 1.00 0.00 O ATOM 1361 CB LEU A 94 4.277 7.202 -1.901 1.00 0.00 C ATOM 1362 CG LEU A 94 4.145 8.119 -0.663 1.00 0.00 C ATOM 1363 CD1 LEU A 94 4.425 7.281 0.585 1.00 0.00 C ATOM 1364 CD2 LEU A 94 5.044 9.353 -0.636 1.00 0.00 C ATOM 0 H LEU A 94 4.743 6.157 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 94 4.115 8.833 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.336 6.667 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.042 6.455 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 94 3.130 8.513 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.337 7.909 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.704 6.465 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.433 6.871 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.861 9.916 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.088 9.043 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.825 9.982 -1.499 1.00 0.00 H new ATOM 1376 N LYS A 95 6.492 9.327 -3.834 1.00 0.00 N ATOM 1377 CA LYS A 95 7.860 9.650 -4.221 1.00 0.00 C ATOM 1378 C LYS A 95 8.413 10.747 -3.310 1.00 0.00 C ATOM 1379 O LYS A 95 8.060 11.914 -3.456 1.00 0.00 O ATOM 1380 CB LYS A 95 7.876 10.006 -5.715 1.00 0.00 C ATOM 1381 CG LYS A 95 9.314 10.033 -6.233 1.00 0.00 C ATOM 1382 CD LYS A 95 9.419 10.347 -7.726 1.00 0.00 C ATOM 1383 CE LYS A 95 10.865 10.135 -8.187 1.00 0.00 C ATOM 1384 NZ LYS A 95 10.981 10.131 -9.658 1.00 0.00 N ATOM 0 H LYS A 95 5.843 10.106 -3.942 1.00 0.00 H new ATOM 0 HA LYS A 95 8.525 8.796 -4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.292 9.277 -6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.407 10.978 -5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.880 10.777 -5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.780 9.067 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.746 9.704 -8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.112 11.375 -7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 95 11.496 10.923 -7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 95 11.237 9.190 -7.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.975 9.985 -9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.399 9.363 -10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.651 11.042 -10.035 1.00 0.00 H new ATOM 1398 N ILE A 96 9.233 10.371 -2.333 1.00 0.00 N ATOM 1399 CA ILE A 96 9.834 11.263 -1.338 1.00 0.00 C ATOM 1400 C ILE A 96 11.243 11.567 -1.847 1.00 0.00 C ATOM 1401 O ILE A 96 12.173 10.827 -1.532 1.00 0.00 O ATOM 1402 CB ILE A 96 9.847 10.536 0.031 1.00 0.00 C ATOM 1403 CG1 ILE A 96 8.418 10.191 0.497 1.00 0.00 C ATOM 1404 CG2 ILE A 96 10.565 11.308 1.148 1.00 0.00 C ATOM 1405 CD1 ILE A 96 8.288 8.691 0.780 1.00 0.00 C ATOM 0 H ILE A 96 9.510 9.398 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 96 9.283 12.194 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 96 10.417 9.624 -0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.177 10.758 1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.700 10.485 -0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.528 10.730 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.604 11.474 0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.072 12.268 1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.272 8.469 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.507 8.129 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.992 8.406 1.562 1.00 0.00 H new ATOM 1417 N VAL A 97 11.420 12.578 -2.696 1.00 0.00 N ATOM 1418 CA VAL A 97 12.724 12.880 -3.278 1.00 0.00 C ATOM 1419 C VAL A 97 13.496 13.730 -2.271 1.00 0.00 C ATOM 1420 O VAL A 97 13.396 14.956 -2.272 1.00 0.00 O ATOM 1421 CB VAL A 97 12.569 13.554 -4.646 1.00 0.00 C ATOM 1422 CG1 VAL A 97 13.934 13.679 -5.331 1.00 0.00 C ATOM 1423 CG2 VAL A 97 11.642 12.766 -5.579 1.00 0.00 C ATOM 0 H VAL A 97 10.672 13.204 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 97 13.289 11.968 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 97 12.133 14.536 -4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.811 14.159 -6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.599 14.280 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.364 12.687 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.564 13.283 -6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.049 11.768 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.653 12.687 -5.127 1.00 0.00 H new ATOM 1433 N GLN A 98 14.215 13.062 -1.378 1.00 0.00 N ATOM 1434 CA GLN A 98 14.768 13.651 -0.174 1.00 0.00 C ATOM 1435 C GLN A 98 16.185 14.193 -0.410 1.00 0.00 C ATOM 1436 O GLN A 98 16.859 13.758 -1.356 1.00 0.00 O ATOM 1437 CB GLN A 98 14.678 12.607 0.960 1.00 0.00 C ATOM 1438 CG GLN A 98 15.393 11.265 0.689 1.00 0.00 C ATOM 1439 CD GLN A 98 14.607 10.014 1.106 1.00 0.00 C ATOM 1440 OE1 GLN A 98 14.637 8.998 0.411 1.00 0.00 O ATOM 1441 NE2 GLN A 98 13.921 10.019 2.242 1.00 0.00 N ATOM 0 H GLN A 98 14.433 12.071 -1.477 1.00 0.00 H new ATOM 0 HA GLN A 98 14.189 14.525 0.125 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.096 13.045 1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.626 12.404 1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 98 15.615 11.198 -0.376 1.00 0.00 H new ATOM 0 HG3 GLN A 98 16.348 11.267 1.214 1.00 0.00 H new ATOM 0 HE21 GLN A 98 13.895 10.860 2.819 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.419 9.182 2.539 1.00 0.00 H new ATOM 1450 N PRO A 99 16.654 15.128 0.439 1.00 0.00 N ATOM 1451 CA PRO A 99 18.064 15.447 0.611 1.00 0.00 C ATOM 1452 C PRO A 99 18.768 14.278 1.297 1.00 0.00 C ATOM 1453 O PRO A 99 18.309 13.143 1.195 1.00 0.00 O ATOM 1454 CB PRO A 99 18.088 16.770 1.385 1.00 0.00 C ATOM 1455 CG PRO A 99 16.858 16.689 2.272 1.00 0.00 C ATOM 1456 CD PRO A 99 15.879 15.876 1.432 1.00 0.00 C ATOM 0 HA PRO A 99 18.613 15.582 -0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.000 16.874 1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.042 17.628 0.714 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.077 16.200 3.221 1.00 0.00 H new ATOM 0 HG3 PRO A 99 16.464 17.678 2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.308 15.195 2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.161 16.532 0.941 1.00 0.00 H new ATOM 1464 N GLY A 100 19.959 14.504 1.838 1.00 0.00 N ATOM 1465 CA GLY A 100 20.634 13.531 2.660 1.00 0.00 C ATOM 1466 C GLY A 100 21.513 14.224 3.693 1.00 0.00 C ATOM 1467 O GLY A 100 21.791 15.426 3.584 1.00 0.00 O ATOM 0 H GLY A 100 20.478 15.373 1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 100 19.901 12.899 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 100 21.243 12.878 2.035 1.00 0.00 H new ATOM 1471 N LYS A 101 21.986 13.472 4.687 1.00 0.00 N ATOM 1472 CA LYS A 101 22.787 13.979 5.798 1.00 0.00 C ATOM 1473 C LYS A 101 23.642 12.864 6.389 1.00 0.00 C ATOM 1474 O LYS A 101 23.526 11.720 5.963 1.00 0.00 O ATOM 1475 CB LYS A 101 21.860 14.611 6.851 1.00 0.00 C ATOM 1476 CG LYS A 101 21.166 13.678 7.855 1.00 0.00 C ATOM 1477 CD LYS A 101 20.256 12.625 7.199 1.00 0.00 C ATOM 1478 CE LYS A 101 19.338 11.920 8.204 1.00 0.00 C ATOM 1479 NZ LYS A 101 18.512 12.884 8.955 1.00 0.00 N ATOM 0 H LYS A 101 21.817 12.468 4.742 1.00 0.00 H new ATOM 0 HA LYS A 101 23.468 14.750 5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 101 22.444 15.336 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 101 21.086 15.168 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 101 21.926 13.169 8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 101 20.572 14.279 8.544 1.00 0.00 H new ATOM 0 HD2 LYS A 101 19.647 13.105 6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 101 20.874 11.882 6.695 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.691 11.219 7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 101 19.940 11.336 8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 17.737 12.380 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 19.100 13.366 9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.116 13.587 8.299 1.00 0.00 H new