USER MOD reduce.3.24.130724 H: found=0, std=0, add=1327, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1324 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 120 THR OG1 : rot -43:sc= 0.714 USER MOD Set 1.2: A 134 SER OG : rot 21:sc= 0.742 USER MOD Set 2.1: A 92 HIS : no HE2:sc= -0.615 K(o=-0.39,f=-1.2) USER MOD Set 2.2: A 94 MET CE :methyl -178:sc= 0 (180deg=-0.00861) USER MOD Set 2.3: A 121 GLN : amide:sc= 0.226 K(o=-0.39,f=-4.9!) USER MOD Set 3.1: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 136 SER OG : rot -55:sc= 0.458 USER MOD Set 4.1: A 48 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.5!) USER MOD Set 4.2: A 166 MET CE :methyl -176:sc= 0 (180deg=-0.0581) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.198 USER MOD Single : A 13 MET CE :methyl -163:sc= -0.0204 (180deg=-0.322) USER MOD Single : A 18 GLN : amide:sc= 0.8 K(o=0.8,f=-3.7!) USER MOD Single : A 20 MET CE :methyl -172:sc= -0.164 (180deg=-0.367) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.222 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.048) USER MOD Single : A 33 GLN : amide:sc= 0.932 K(o=0.93,f=-0.013) USER MOD Single : A 35 GLN : amide:sc= 1.04 K(o=1,f=-0.37) USER MOD Single : A 36 GLN : amide:sc= -0.031 X(o=-0.031,f=-0.031) USER MOD Single : A 39 TYR OH : rot 151:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -113:sc= 0.863 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 30:sc= 0.29 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0617) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -155:sc= 2.05 USER MOD Single : A 62 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.56) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -167:sc= 1.29 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.173 K(o=-0.17,f=-4.6!) USER MOD Single : A 87 ASN :FLIP amide:sc=-0.00278 F(o=-2!,f=-0.0028) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 96 ASN : amide:sc= 0.691 K(o=0.69,f=-5.5!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0.991 K(o=0.99,f=-0.12) USER MOD Single : A 113 HIS : no HE2:sc= 0.295 K(o=0.29,f=-4!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 162:sc= -0.32 (180deg=-0.841) USER MOD Single : A 138 CYS SG : rot -76:sc= 0.196 USER MOD Single : A 139 SER OG : rot 180:sc= -0.08 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= -0.154 K(o=-0.15,f=-0.67) USER MOD Single : A 153 LYS NZ :NH3+ -147:sc= 0.982 (180deg=0.343) USER MOD Single : A 154 MET CE :methyl -173:sc= -0.042 (180deg=-0.117) USER MOD Single : A 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 161 SER OG : rot -160:sc= -0.184 USER MOD Single : A 163 MET CE :methyl 156:sc= -1.26 (180deg=-3.12) USER MOD Single : A 169 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N TRP A 9 -2.896 18.529 11.401 1.00 1.60 N ATOM 129 CA TRP A 9 -3.035 17.896 10.089 1.00 1.40 C ATOM 130 C TRP A 9 -3.380 16.411 10.239 1.00 1.08 C ATOM 131 O TRP A 9 -4.340 15.922 9.637 1.00 0.85 O ATOM 132 CB TRP A 9 -1.724 18.099 9.311 1.00 1.65 C ATOM 133 CG TRP A 9 -1.632 17.457 7.958 1.00 1.64 C ATOM 134 CD1 TRP A 9 -2.647 17.300 7.079 1.00 1.72 C ATOM 135 CD2 TRP A 9 -0.456 16.878 7.307 1.00 2.53 C ATOM 136 NE1 TRP A 9 -2.191 16.658 5.946 1.00 1.63 N ATOM 137 CE2 TRP A 9 -0.846 16.372 6.029 1.00 2.18 C ATOM 138 CE3 TRP A 9 0.903 16.728 7.666 1.00 3.99 C ATOM 139 CZ2 TRP A 9 0.060 15.747 5.158 1.00 3.07 C ATOM 140 CZ3 TRP A 9 1.822 16.107 6.796 1.00 5.03 C ATOM 141 CH2 TRP A 9 1.404 15.615 5.546 1.00 4.54 C ATOM 0 HA TRP A 9 -3.854 18.355 9.535 1.00 1.40 H new ATOM 0 HB2 TRP A 9 -1.564 19.170 9.190 1.00 1.65 H new ATOM 0 HB3 TRP A 9 -0.905 17.721 9.922 1.00 1.65 H new ATOM 0 HD1 TRP A 9 -3.663 17.628 7.240 1.00 1.72 H new ATOM 0 HE1 TRP A 9 -2.778 16.424 5.145 1.00 1.63 H new ATOM 0 HE3 TRP A 9 1.243 17.095 8.623 1.00 3.99 H new ATOM 0 HZ2 TRP A 9 -0.272 15.372 4.201 1.00 3.07 H new ATOM 0 HZ3 TRP A 9 2.856 16.008 7.092 1.00 5.03 H new ATOM 0 HH2 TRP A 9 2.114 15.137 4.887 1.00 4.54 H new ATOM 152 N ARG A 10 -2.657 15.718 11.126 1.00 1.14 N ATOM 153 CA ARG A 10 -2.888 14.304 11.434 1.00 0.96 C ATOM 154 C ARG A 10 -4.254 14.109 12.112 1.00 0.93 C ATOM 155 O ARG A 10 -5.011 13.230 11.714 1.00 0.77 O ATOM 156 CB ARG A 10 -1.752 13.804 12.336 1.00 1.17 C ATOM 157 CG ARG A 10 -1.683 12.276 12.337 1.00 1.21 C ATOM 158 CD ARG A 10 -0.799 11.736 13.457 1.00 1.74 C ATOM 159 NE ARG A 10 -1.473 11.855 14.764 1.00 2.44 N ATOM 160 CZ ARG A 10 -1.181 12.699 15.747 1.00 2.99 C ATOM 161 NH1 ARG A 10 -0.142 13.508 15.695 1.00 3.02 N ATOM 162 NH2 ARG A 10 -1.953 12.742 16.810 1.00 4.22 N ATOM 0 H ARG A 10 -1.887 16.128 11.655 1.00 1.14 H new ATOM 0 HA ARG A 10 -2.899 13.726 10.510 1.00 0.96 H new ATOM 0 HB2 ARG A 10 -0.803 14.214 11.992 1.00 1.17 H new ATOM 0 HB3 ARG A 10 -1.905 14.165 13.353 1.00 1.17 H new ATOM 0 HG2 ARG A 10 -2.689 11.869 12.443 1.00 1.21 H new ATOM 0 HG3 ARG A 10 -1.300 11.931 11.377 1.00 1.21 H new ATOM 0 HD2 ARG A 10 -0.556 10.691 13.262 1.00 1.74 H new ATOM 0 HD3 ARG A 10 0.143 12.284 13.478 1.00 1.74 H new ATOM 0 HE ARG A 10 -2.251 11.217 14.932 1.00 2.44 H new ATOM 0 HH11 ARG A 10 0.470 13.500 14.879 1.00 3.02 H new ATOM 0 HH12 ARG A 10 0.050 14.142 16.470 1.00 3.02 H new ATOM 0 HH21 ARG A 10 -2.767 12.131 16.874 1.00 4.22 H new ATOM 0 HH22 ARG A 10 -1.738 13.386 17.571 1.00 4.22 H new ATOM 176 N ARG A 11 -4.626 14.986 13.056 1.00 1.11 N ATOM 177 CA ARG A 11 -5.937 15.008 13.739 1.00 1.11 C ATOM 178 C ARG A 11 -7.070 15.156 12.729 1.00 0.86 C ATOM 179 O ARG A 11 -8.075 14.454 12.832 1.00 0.82 O ATOM 180 CB ARG A 11 -5.953 16.141 14.797 1.00 1.35 C ATOM 181 CG ARG A 11 -7.317 16.687 15.276 1.00 1.39 C ATOM 182 CD ARG A 11 -7.864 17.790 14.347 1.00 2.28 C ATOM 183 NE ARG A 11 -8.986 18.537 14.930 1.00 2.61 N ATOM 184 CZ ARG A 11 -9.661 19.497 14.304 1.00 4.04 C ATOM 185 NH1 ARG A 11 -9.399 19.849 13.060 1.00 5.48 N ATOM 186 NH2 ARG A 11 -10.629 20.127 14.935 1.00 4.44 N ATOM 0 H ARG A 11 -4.004 15.727 13.379 1.00 1.11 H new ATOM 0 HA ARG A 11 -6.093 14.060 14.254 1.00 1.11 H new ATOM 0 HB2 ARG A 11 -5.414 15.783 15.674 1.00 1.35 H new ATOM 0 HB3 ARG A 11 -5.384 16.979 14.393 1.00 1.35 H new ATOM 0 HG2 ARG A 11 -8.036 15.869 15.328 1.00 1.39 H new ATOM 0 HG3 ARG A 11 -7.213 17.084 16.286 1.00 1.39 H new ATOM 0 HD2 ARG A 11 -7.059 18.485 14.107 1.00 2.28 H new ATOM 0 HD3 ARG A 11 -8.186 17.338 13.409 1.00 2.28 H new ATOM 0 HE ARG A 11 -9.267 18.303 15.882 1.00 2.61 H new ATOM 0 HH11 ARG A 11 -8.656 19.380 12.543 1.00 5.48 H new ATOM 0 HH12 ARG A 11 -9.940 20.591 12.615 1.00 5.48 H new ATOM 0 HH21 ARG A 11 -10.857 19.878 15.897 1.00 4.44 H new ATOM 0 HH22 ARG A 11 -11.151 20.864 14.462 1.00 4.44 H new ATOM 200 N THR A 12 -6.908 16.045 11.743 1.00 0.79 N ATOM 201 CA THR A 12 -7.915 16.304 10.707 1.00 0.68 C ATOM 202 C THR A 12 -8.066 15.084 9.818 1.00 0.52 C ATOM 203 O THR A 12 -9.189 14.681 9.543 1.00 0.53 O ATOM 204 CB THR A 12 -7.556 17.569 9.925 1.00 0.88 C ATOM 205 OG1 THR A 12 -7.562 18.641 10.846 1.00 1.12 O ATOM 206 CG2 THR A 12 -8.576 17.870 8.827 1.00 0.94 C ATOM 0 H THR A 12 -6.066 16.611 11.640 1.00 0.79 H new ATOM 0 HA THR A 12 -8.885 16.486 11.169 1.00 0.68 H new ATOM 0 HB THR A 12 -6.585 17.431 9.449 1.00 0.88 H new ATOM 0 HG1 THR A 12 -7.334 19.473 10.381 1.00 1.12 H new ATOM 0 HG21 THR A 12 -8.283 18.776 8.297 1.00 0.94 H new ATOM 0 HG22 THR A 12 -8.614 17.036 8.127 1.00 0.94 H new ATOM 0 HG23 THR A 12 -9.560 18.013 9.274 1.00 0.94 H new ATOM 214 N MET A 13 -6.965 14.430 9.446 1.00 0.49 N ATOM 215 CA MET A 13 -7.021 13.183 8.676 1.00 0.45 C ATOM 216 C MET A 13 -7.668 12.054 9.492 1.00 0.53 C ATOM 217 O MET A 13 -8.521 11.355 8.961 1.00 0.64 O ATOM 218 CB MET A 13 -5.612 12.775 8.190 1.00 0.46 C ATOM 219 CG MET A 13 -5.439 12.861 6.664 1.00 0.79 C ATOM 220 SD MET A 13 -4.765 14.409 5.992 1.00 1.87 S ATOM 221 CE MET A 13 -6.124 15.578 6.246 1.00 1.42 C ATOM 0 H MET A 13 -6.019 14.743 9.666 1.00 0.49 H new ATOM 0 HA MET A 13 -7.645 13.359 7.800 1.00 0.45 H new ATOM 0 HB2 MET A 13 -4.872 13.417 8.668 1.00 0.46 H new ATOM 0 HB3 MET A 13 -5.406 11.755 8.514 1.00 0.46 H new ATOM 0 HG2 MET A 13 -4.788 12.045 6.351 1.00 0.79 H new ATOM 0 HG3 MET A 13 -6.411 12.688 6.203 1.00 0.79 H new ATOM 0 HE1 MET A 13 -5.968 16.459 5.623 1.00 1.42 H new ATOM 0 HE2 MET A 13 -7.067 15.104 5.974 1.00 1.42 H new ATOM 0 HE3 MET A 13 -6.156 15.876 7.294 1.00 1.42 H new ATOM 231 N LEU A 14 -7.341 11.910 10.781 1.00 0.64 N ATOM 232 CA LEU A 14 -7.943 10.946 11.716 1.00 0.85 C ATOM 233 C LEU A 14 -9.455 11.140 11.860 1.00 0.86 C ATOM 234 O LEU A 14 -10.211 10.169 11.787 1.00 1.03 O ATOM 235 CB LEU A 14 -7.222 11.054 13.084 1.00 1.01 C ATOM 236 CG LEU A 14 -6.159 9.952 13.237 1.00 1.25 C ATOM 237 CD1 LEU A 14 -4.954 10.324 14.109 1.00 1.69 C ATOM 238 CD2 LEU A 14 -6.797 8.687 13.819 1.00 2.36 C ATOM 0 H LEU A 14 -6.621 12.483 11.221 1.00 0.64 H new ATOM 0 HA LEU A 14 -7.809 9.942 11.314 1.00 0.85 H new ATOM 0 HB2 LEU A 14 -6.751 12.033 13.174 1.00 1.01 H new ATOM 0 HB3 LEU A 14 -7.951 10.975 13.890 1.00 1.01 H new ATOM 0 HG LEU A 14 -5.777 9.794 12.228 1.00 1.25 H new ATOM 0 HD11 LEU A 14 -4.264 9.482 14.154 1.00 1.69 H new ATOM 0 HD12 LEU A 14 -4.446 11.187 13.679 1.00 1.69 H new ATOM 0 HD13 LEU A 14 -5.295 10.568 15.115 1.00 1.69 H new ATOM 0 HD21 LEU A 14 -6.038 7.912 13.924 1.00 2.36 H new ATOM 0 HD22 LEU A 14 -7.224 8.912 14.796 1.00 2.36 H new ATOM 0 HD23 LEU A 14 -7.584 8.336 13.151 1.00 2.36 H new ATOM 250 N LEU A 15 -9.902 12.389 12.001 1.00 0.72 N ATOM 251 CA LEU A 15 -11.318 12.749 12.061 1.00 0.74 C ATOM 252 C LEU A 15 -11.998 12.396 10.733 1.00 0.78 C ATOM 253 O LEU A 15 -13.020 11.712 10.751 1.00 0.92 O ATOM 254 CB LEU A 15 -11.411 14.234 12.480 1.00 0.65 C ATOM 255 CG LEU A 15 -12.771 14.754 12.992 1.00 0.75 C ATOM 256 CD1 LEU A 15 -13.815 14.854 11.879 1.00 0.86 C ATOM 257 CD2 LEU A 15 -13.333 13.911 14.147 1.00 1.02 C ATOM 0 H LEU A 15 -9.278 13.192 12.078 1.00 0.72 H new ATOM 0 HA LEU A 15 -11.866 12.178 12.811 1.00 0.74 H new ATOM 0 HB2 LEU A 15 -10.670 14.409 13.260 1.00 0.65 H new ATOM 0 HB3 LEU A 15 -11.121 14.842 11.623 1.00 0.65 H new ATOM 0 HG LEU A 15 -12.567 15.756 13.368 1.00 0.75 H new ATOM 0 HD11 LEU A 15 -14.753 15.225 12.292 1.00 0.86 H new ATOM 0 HD12 LEU A 15 -13.462 15.540 11.109 1.00 0.86 H new ATOM 0 HD13 LEU A 15 -13.976 13.869 11.441 1.00 0.86 H new ATOM 0 HD21 LEU A 15 -14.290 14.323 14.466 1.00 1.02 H new ATOM 0 HD22 LEU A 15 -13.474 12.883 13.812 1.00 1.02 H new ATOM 0 HD23 LEU A 15 -12.634 13.928 14.983 1.00 1.02 H new ATOM 269 N ARG A 16 -11.389 12.734 9.589 1.00 0.73 N ATOM 270 CA ARG A 16 -11.883 12.358 8.255 1.00 0.89 C ATOM 271 C ARG A 16 -11.975 10.833 8.087 1.00 1.04 C ATOM 272 O ARG A 16 -13.014 10.332 7.659 1.00 1.22 O ATOM 273 CB ARG A 16 -11.010 12.990 7.160 1.00 0.91 C ATOM 274 CG ARG A 16 -11.262 14.504 7.063 1.00 0.96 C ATOM 275 CD ARG A 16 -10.350 15.177 6.035 1.00 1.08 C ATOM 276 NE ARG A 16 -10.820 14.919 4.660 1.00 1.08 N ATOM 277 CZ ARG A 16 -10.221 14.209 3.711 1.00 2.03 C ATOM 278 NH1 ARG A 16 -9.020 13.695 3.855 1.00 3.63 N ATOM 279 NH2 ARG A 16 -10.848 13.989 2.579 1.00 2.46 N ATOM 0 H ARG A 16 -10.529 13.283 9.562 1.00 0.73 H new ATOM 0 HA ARG A 16 -12.896 12.748 8.153 1.00 0.89 H new ATOM 0 HB2 ARG A 16 -9.958 12.806 7.377 1.00 0.91 H new ATOM 0 HB3 ARG A 16 -11.225 12.519 6.201 1.00 0.91 H new ATOM 0 HG2 ARG A 16 -12.303 14.681 6.793 1.00 0.96 H new ATOM 0 HG3 ARG A 16 -11.104 14.960 8.040 1.00 0.96 H new ATOM 0 HD2 ARG A 16 -10.321 16.251 6.217 1.00 1.08 H new ATOM 0 HD3 ARG A 16 -9.331 14.807 6.150 1.00 1.08 H new ATOM 0 HE ARG A 16 -11.715 15.338 4.407 1.00 1.08 H new ATOM 0 HH11 ARG A 16 -8.507 13.835 4.725 1.00 3.63 H new ATOM 0 HH12 ARG A 16 -8.601 13.156 3.097 1.00 3.63 H new ATOM 0 HH21 ARG A 16 -11.786 14.362 2.435 1.00 2.46 H new ATOM 0 HH22 ARG A 16 -10.397 13.445 1.844 1.00 2.46 H new ATOM 293 N PHE A 17 -10.945 10.080 8.490 1.00 0.99 N ATOM 294 CA PHE A 17 -10.909 8.613 8.456 1.00 1.15 C ATOM 295 C PHE A 17 -11.985 7.974 9.349 1.00 1.36 C ATOM 296 O PHE A 17 -12.543 6.947 8.966 1.00 1.54 O ATOM 297 CB PHE A 17 -9.497 8.093 8.789 1.00 1.05 C ATOM 298 CG PHE A 17 -8.510 8.101 7.627 1.00 0.90 C ATOM 299 CD1 PHE A 17 -8.783 7.359 6.459 1.00 2.38 C ATOM 300 CD2 PHE A 17 -7.285 8.788 7.733 1.00 1.79 C ATOM 301 CE1 PHE A 17 -7.851 7.320 5.405 1.00 2.33 C ATOM 302 CE2 PHE A 17 -6.347 8.747 6.684 1.00 1.80 C ATOM 303 CZ PHE A 17 -6.634 8.016 5.517 1.00 0.77 C ATOM 0 H PHE A 17 -10.086 10.488 8.860 1.00 0.99 H new ATOM 0 HA PHE A 17 -11.147 8.307 7.437 1.00 1.15 H new ATOM 0 HB2 PHE A 17 -9.086 8.698 9.598 1.00 1.05 H new ATOM 0 HB3 PHE A 17 -9.582 7.073 9.165 1.00 1.05 H new ATOM 0 HD1 PHE A 17 -9.713 6.817 6.373 1.00 2.38 H new ATOM 0 HD2 PHE A 17 -7.063 9.351 8.627 1.00 1.79 H new ATOM 0 HE1 PHE A 17 -8.070 6.756 4.511 1.00 2.33 H new ATOM 0 HE2 PHE A 17 -5.410 9.275 6.775 1.00 1.80 H new ATOM 0 HZ PHE A 17 -5.920 7.989 4.707 1.00 0.77 H new ATOM 313 N GLN A 18 -12.333 8.574 10.494 1.00 1.36 N ATOM 314 CA GLN A 18 -13.468 8.103 11.303 1.00 1.57 C ATOM 315 C GLN A 18 -14.834 8.547 10.737 1.00 1.61 C ATOM 316 O GLN A 18 -15.839 7.871 10.968 1.00 1.88 O ATOM 317 CB GLN A 18 -13.283 8.512 12.778 1.00 1.50 C ATOM 318 CG GLN A 18 -13.903 7.436 13.691 1.00 2.04 C ATOM 319 CD GLN A 18 -13.619 7.659 15.175 1.00 2.00 C ATOM 320 OE1 GLN A 18 -12.610 7.213 15.710 1.00 3.07 O ATOM 321 NE2 GLN A 18 -14.496 8.319 15.904 1.00 2.77 N ATOM 0 H GLN A 18 -11.848 9.383 10.881 1.00 1.36 H new ATOM 0 HA GLN A 18 -13.476 7.014 11.253 1.00 1.57 H new ATOM 0 HB2 GLN A 18 -12.223 8.629 13.004 1.00 1.50 H new ATOM 0 HB3 GLN A 18 -13.756 9.477 12.961 1.00 1.50 H new ATOM 0 HG2 GLN A 18 -14.982 7.416 13.535 1.00 2.04 H new ATOM 0 HG3 GLN A 18 -13.520 6.458 13.399 1.00 2.04 H new ATOM 0 HE21 GLN A 18 -15.339 8.695 15.471 1.00 2.77 H new ATOM 0 HE22 GLN A 18 -14.331 8.454 16.902 1.00 2.77 H new ATOM 330 N ARG A 19 -14.881 9.622 9.935 1.00 1.46 N ATOM 331 CA ARG A 19 -16.099 10.132 9.282 1.00 1.59 C ATOM 332 C ARG A 19 -16.568 9.240 8.117 1.00 1.80 C ATOM 333 O ARG A 19 -17.737 9.299 7.730 1.00 1.99 O ATOM 334 CB ARG A 19 -15.834 11.563 8.758 1.00 1.48 C ATOM 335 CG ARG A 19 -17.033 12.512 8.890 1.00 1.95 C ATOM 336 CD ARG A 19 -17.277 12.923 10.351 1.00 1.73 C ATOM 337 NE ARG A 19 -18.349 13.929 10.455 1.00 2.53 N ATOM 338 CZ ARG A 19 -18.222 15.249 10.363 1.00 4.11 C ATOM 339 NH1 ARG A 19 -17.061 15.832 10.141 1.00 5.60 N ATOM 340 NH2 ARG A 19 -19.283 16.014 10.496 1.00 4.80 N ATOM 0 H ARG A 19 -14.053 10.175 9.716 1.00 1.46 H new ATOM 0 HA ARG A 19 -16.893 10.132 10.028 1.00 1.59 H new ATOM 0 HB2 ARG A 19 -14.988 11.986 9.300 1.00 1.48 H new ATOM 0 HB3 ARG A 19 -15.543 11.506 7.709 1.00 1.48 H new ATOM 0 HG2 ARG A 19 -16.860 13.403 8.286 1.00 1.95 H new ATOM 0 HG3 ARG A 19 -17.926 12.027 8.495 1.00 1.95 H new ATOM 0 HD2 ARG A 19 -17.543 12.044 10.938 1.00 1.73 H new ATOM 0 HD3 ARG A 19 -16.357 13.324 10.776 1.00 1.73 H new ATOM 0 HE ARG A 19 -19.292 13.573 10.615 1.00 2.53 H new ATOM 0 HH11 ARG A 19 -16.219 15.267 10.033 1.00 5.60 H new ATOM 0 HH12 ARG A 19 -17.005 16.848 10.077 1.00 5.60 H new ATOM 0 HH21 ARG A 19 -20.196 15.594 10.669 1.00 4.80 H new ATOM 0 HH22 ARG A 19 -19.193 17.028 10.427 1.00 4.80 H new ATOM 354 N MET A 20 -15.675 8.400 7.576 1.00 1.74 N ATOM 355 CA MET A 20 -15.907 7.499 6.433 1.00 1.85 C ATOM 356 C MET A 20 -17.108 6.558 6.588 1.00 2.16 C ATOM 357 O MET A 20 -17.745 6.225 5.590 1.00 3.90 O ATOM 358 CB MET A 20 -14.651 6.640 6.206 1.00 1.64 C ATOM 359 CG MET A 20 -13.398 7.459 5.882 1.00 1.42 C ATOM 360 SD MET A 20 -13.516 8.639 4.520 1.00 1.66 S ATOM 361 CE MET A 20 -11.835 9.292 4.614 1.00 1.23 C ATOM 0 H MET A 20 -14.725 8.325 7.939 1.00 1.74 H new ATOM 0 HA MET A 20 -16.128 8.150 5.587 1.00 1.85 H new ATOM 0 HB2 MET A 20 -14.464 6.043 7.098 1.00 1.64 H new ATOM 0 HB3 MET A 20 -14.840 5.943 5.390 1.00 1.64 H new ATOM 0 HG2 MET A 20 -13.110 8.006 6.780 1.00 1.42 H new ATOM 0 HG3 MET A 20 -12.588 6.764 5.659 1.00 1.42 H new ATOM 0 HE1 MET A 20 -11.738 10.145 3.942 1.00 1.23 H new ATOM 0 HE2 MET A 20 -11.624 9.609 5.635 1.00 1.23 H new ATOM 0 HE3 MET A 20 -11.127 8.517 4.321 1.00 1.23 H new ATOM 371 N GLU A 21 -17.367 6.062 7.806 1.00 1.16 N ATOM 372 CA GLU A 21 -18.438 5.114 8.182 1.00 1.18 C ATOM 373 C GLU A 21 -18.259 3.691 7.597 1.00 1.14 C ATOM 374 O GLU A 21 -18.793 2.726 8.152 1.00 1.16 O ATOM 375 CB GLU A 21 -19.821 5.700 7.820 1.00 1.25 C ATOM 376 CG GLU A 21 -20.988 4.981 8.512 1.00 1.65 C ATOM 377 CD GLU A 21 -22.309 5.734 8.299 1.00 2.16 C ATOM 378 OE1 GLU A 21 -22.619 6.656 9.091 1.00 3.10 O ATOM 379 OE2 GLU A 21 -23.059 5.399 7.351 1.00 2.78 O ATOM 0 H GLU A 21 -16.800 6.327 8.611 1.00 1.16 H new ATOM 0 HA GLU A 21 -18.369 4.987 9.262 1.00 1.18 H new ATOM 0 HB2 GLU A 21 -19.842 6.756 8.091 1.00 1.25 H new ATOM 0 HB3 GLU A 21 -19.959 5.645 6.740 1.00 1.25 H new ATOM 0 HG2 GLU A 21 -21.077 3.967 8.121 1.00 1.65 H new ATOM 0 HG3 GLU A 21 -20.784 4.894 9.579 1.00 1.65 H new ATOM 386 N THR A 22 -17.500 3.548 6.501 1.00 1.13 N ATOM 387 CA THR A 22 -17.347 2.330 5.698 1.00 1.19 C ATOM 388 C THR A 22 -15.901 2.104 5.271 1.00 1.15 C ATOM 389 O THR A 22 -15.131 3.047 5.079 1.00 1.09 O ATOM 390 CB THR A 22 -18.220 2.378 4.437 1.00 1.34 C ATOM 391 OG1 THR A 22 -17.753 3.379 3.555 1.00 1.38 O ATOM 392 CG2 THR A 22 -19.705 2.624 4.711 1.00 1.42 C ATOM 0 H THR A 22 -16.947 4.322 6.133 1.00 1.13 H new ATOM 0 HA THR A 22 -17.665 1.507 6.338 1.00 1.19 H new ATOM 0 HB THR A 22 -18.136 1.387 3.991 1.00 1.34 H new ATOM 0 HG1 THR A 22 -18.317 3.398 2.754 1.00 1.38 H new ATOM 0 HG21 THR A 22 -20.251 2.643 3.768 1.00 1.42 H new ATOM 0 HG22 THR A 22 -20.096 1.824 5.340 1.00 1.42 H new ATOM 0 HG23 THR A 22 -19.827 3.580 5.221 1.00 1.42 H new ATOM 400 N ALA A 23 -15.555 0.835 5.038 1.00 1.22 N ATOM 401 CA ALA A 23 -14.263 0.434 4.472 1.00 1.25 C ATOM 402 C ALA A 23 -14.081 1.000 3.056 1.00 1.32 C ATOM 403 O ALA A 23 -12.962 1.293 2.637 1.00 1.33 O ATOM 404 CB ALA A 23 -14.182 -1.100 4.482 1.00 1.33 C ATOM 0 H ALA A 23 -16.171 0.047 5.239 1.00 1.22 H new ATOM 0 HA ALA A 23 -13.453 0.841 5.077 1.00 1.25 H new ATOM 0 HB1 ALA A 23 -13.226 -1.417 4.064 1.00 1.33 H new ATOM 0 HB2 ALA A 23 -14.268 -1.462 5.506 1.00 1.33 H new ATOM 0 HB3 ALA A 23 -14.994 -1.511 3.883 1.00 1.33 H new ATOM 410 N GLU A 24 -15.196 1.172 2.340 1.00 1.40 N ATOM 411 CA GLU A 24 -15.226 1.711 0.988 1.00 1.46 C ATOM 412 C GLU A 24 -14.709 3.149 0.966 1.00 1.35 C ATOM 413 O GLU A 24 -13.784 3.441 0.209 1.00 1.32 O ATOM 414 CB GLU A 24 -16.622 1.595 0.357 1.00 1.61 C ATOM 415 CG GLU A 24 -17.163 0.159 0.400 1.00 1.65 C ATOM 416 CD GLU A 24 -18.289 -0.050 -0.621 1.00 1.89 C ATOM 417 OE1 GLU A 24 -19.476 0.163 -0.276 1.00 3.07 O ATOM 418 OE2 GLU A 24 -17.996 -0.442 -1.777 1.00 2.18 O ATOM 0 H GLU A 24 -16.121 0.933 2.697 1.00 1.40 H new ATOM 0 HA GLU A 24 -14.556 1.108 0.375 1.00 1.46 H new ATOM 0 HB2 GLU A 24 -17.311 2.257 0.881 1.00 1.61 H new ATOM 0 HB3 GLU A 24 -16.580 1.934 -0.678 1.00 1.61 H new ATOM 0 HG2 GLU A 24 -16.353 -0.542 0.198 1.00 1.65 H new ATOM 0 HG3 GLU A 24 -17.533 -0.061 1.401 1.00 1.65 H new ATOM 425 N GLU A 25 -15.227 4.045 1.820 1.00 1.34 N ATOM 426 CA GLU A 25 -14.755 5.433 1.803 1.00 1.31 C ATOM 427 C GLU A 25 -13.317 5.576 2.348 1.00 1.21 C ATOM 428 O GLU A 25 -12.561 6.407 1.841 1.00 1.14 O ATOM 429 CB GLU A 25 -15.757 6.432 2.402 1.00 1.67 C ATOM 430 CG GLU A 25 -15.594 7.794 1.699 1.00 2.04 C ATOM 431 CD GLU A 25 -16.649 8.849 2.078 1.00 2.76 C ATOM 432 OE1 GLU A 25 -17.185 8.839 3.210 1.00 2.95 O ATOM 433 OE2 GLU A 25 -16.944 9.717 1.221 1.00 3.72 O ATOM 0 H GLU A 25 -15.950 3.841 2.510 1.00 1.34 H new ATOM 0 HA GLU A 25 -14.695 5.717 0.752 1.00 1.31 H new ATOM 0 HB2 GLU A 25 -16.775 6.064 2.277 1.00 1.67 H new ATOM 0 HB3 GLU A 25 -15.586 6.539 3.473 1.00 1.67 H new ATOM 0 HG2 GLU A 25 -14.605 8.190 1.931 1.00 2.04 H new ATOM 0 HG3 GLU A 25 -15.629 7.637 0.621 1.00 2.04 H new ATOM 440 N VAL A 26 -12.900 4.734 3.308 1.00 1.23 N ATOM 441 CA VAL A 26 -11.488 4.667 3.761 1.00 1.14 C ATOM 442 C VAL A 26 -10.538 4.400 2.584 1.00 1.12 C ATOM 443 O VAL A 26 -9.544 5.113 2.436 1.00 1.05 O ATOM 444 CB VAL A 26 -11.267 3.597 4.860 1.00 1.18 C ATOM 445 CG1 VAL A 26 -9.782 3.366 5.205 1.00 1.08 C ATOM 446 CG2 VAL A 26 -11.984 3.981 6.166 1.00 1.25 C ATOM 0 H VAL A 26 -13.520 4.084 3.792 1.00 1.23 H new ATOM 0 HA VAL A 26 -11.262 5.642 4.192 1.00 1.14 H new ATOM 0 HB VAL A 26 -11.678 2.680 4.438 1.00 1.18 H new ATOM 0 HG11 VAL A 26 -9.703 2.605 5.981 1.00 1.08 H new ATOM 0 HG12 VAL A 26 -9.249 3.033 4.314 1.00 1.08 H new ATOM 0 HG13 VAL A 26 -9.343 4.297 5.564 1.00 1.08 H new ATOM 0 HG21 VAL A 26 -11.810 3.210 6.917 1.00 1.25 H new ATOM 0 HG22 VAL A 26 -11.597 4.934 6.527 1.00 1.25 H new ATOM 0 HG23 VAL A 26 -13.054 4.071 5.980 1.00 1.25 H new ATOM 456 N TYR A 27 -10.839 3.414 1.725 1.00 1.20 N ATOM 457 CA TYR A 27 -10.004 3.138 0.549 1.00 1.23 C ATOM 458 C TYR A 27 -10.220 4.185 -0.569 1.00 1.20 C ATOM 459 O TYR A 27 -9.295 4.526 -1.304 1.00 1.19 O ATOM 460 CB TYR A 27 -10.142 1.675 0.073 1.00 1.34 C ATOM 461 CG TYR A 27 -11.091 1.427 -1.086 1.00 1.43 C ATOM 462 CD1 TYR A 27 -10.746 1.845 -2.386 1.00 2.01 C ATOM 463 CD2 TYR A 27 -12.315 0.773 -0.867 1.00 2.03 C ATOM 464 CE1 TYR A 27 -11.669 1.711 -3.441 1.00 2.10 C ATOM 465 CE2 TYR A 27 -13.239 0.617 -1.919 1.00 2.12 C ATOM 466 CZ TYR A 27 -12.924 1.104 -3.208 1.00 1.66 C ATOM 467 OH TYR A 27 -13.819 0.986 -4.229 1.00 1.79 O ATOM 0 H TYR A 27 -11.648 2.800 1.822 1.00 1.20 H new ATOM 0 HA TYR A 27 -8.962 3.246 0.850 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -9.154 1.314 -0.212 1.00 1.34 H new ATOM 0 HB3 TYR A 27 -10.471 1.071 0.918 1.00 1.34 H new ATOM 0 HD1 TYR A 27 -9.771 2.269 -2.574 1.00 2.01 H new ATOM 0 HD2 TYR A 27 -12.549 0.387 0.114 1.00 2.03 H new ATOM 0 HE1 TYR A 27 -11.418 2.072 -4.428 1.00 2.10 H new ATOM 0 HE2 TYR A 27 -14.185 0.127 -1.741 1.00 2.12 H new ATOM 0 HH TYR A 27 -14.631 0.545 -3.903 1.00 1.79 H new ATOM 477 N HIS A 28 -11.428 4.735 -0.693 1.00 1.22 N ATOM 478 CA HIS A 28 -11.761 5.773 -1.669 1.00 1.22 C ATOM 479 C HIS A 28 -10.944 7.050 -1.431 1.00 1.10 C ATOM 480 O HIS A 28 -10.400 7.594 -2.381 1.00 1.07 O ATOM 481 CB HIS A 28 -13.262 6.069 -1.585 1.00 1.32 C ATOM 482 CG HIS A 28 -13.820 7.053 -2.582 1.00 1.36 C ATOM 483 ND1 HIS A 28 -14.712 8.063 -2.290 1.00 1.47 N ATOM 484 CD2 HIS A 28 -13.665 7.038 -3.943 1.00 1.38 C ATOM 485 CE1 HIS A 28 -15.092 8.631 -3.446 1.00 1.51 C ATOM 486 NE2 HIS A 28 -14.477 8.043 -4.488 1.00 1.47 N ATOM 0 H HIS A 28 -12.218 4.466 -0.106 1.00 1.22 H new ATOM 0 HA HIS A 28 -11.511 5.413 -2.667 1.00 1.22 H new ATOM 0 HB2 HIS A 28 -13.800 5.128 -1.699 1.00 1.32 H new ATOM 0 HB3 HIS A 28 -13.479 6.441 -0.584 1.00 1.32 H new ATOM 0 HD2 HIS A 28 -13.027 6.368 -4.500 1.00 1.38 H new ATOM 0 HE1 HIS A 28 -15.794 9.447 -3.528 1.00 1.51 H new ATOM 0 HE2 HIS A 28 -14.580 8.280 -5.475 1.00 1.47 H new ATOM 494 N GLU A 29 -10.785 7.503 -0.183 1.00 1.03 N ATOM 495 CA GLU A 29 -9.978 8.691 0.130 1.00 0.94 C ATOM 496 C GLU A 29 -8.522 8.530 -0.332 1.00 0.94 C ATOM 497 O GLU A 29 -7.946 9.434 -0.942 1.00 0.95 O ATOM 498 CB GLU A 29 -10.055 8.937 1.646 1.00 0.88 C ATOM 499 CG GLU A 29 -9.029 9.930 2.218 1.00 1.02 C ATOM 500 CD GLU A 29 -9.080 11.337 1.605 1.00 1.78 C ATOM 501 OE1 GLU A 29 -10.128 11.759 1.066 1.00 2.62 O ATOM 502 OE2 GLU A 29 -8.094 12.092 1.771 1.00 2.98 O ATOM 0 H GLU A 29 -11.208 7.062 0.634 1.00 1.03 H new ATOM 0 HA GLU A 29 -10.376 9.551 -0.409 1.00 0.94 H new ATOM 0 HB2 GLU A 29 -11.055 9.299 1.886 1.00 0.88 H new ATOM 0 HB3 GLU A 29 -9.931 7.982 2.156 1.00 0.88 H new ATOM 0 HG2 GLU A 29 -9.185 10.012 3.294 1.00 1.02 H new ATOM 0 HG3 GLU A 29 -8.029 9.522 2.071 1.00 1.02 H new ATOM 509 N ILE A 30 -7.916 7.370 -0.066 1.00 0.96 N ATOM 510 CA ILE A 30 -6.522 7.119 -0.478 1.00 1.02 C ATOM 511 C ILE A 30 -6.380 6.895 -1.993 1.00 1.08 C ATOM 512 O ILE A 30 -5.358 7.282 -2.561 1.00 1.12 O ATOM 513 CB ILE A 30 -5.866 6.018 0.379 1.00 1.05 C ATOM 514 CG1 ILE A 30 -6.538 4.656 0.146 1.00 1.11 C ATOM 515 CG2 ILE A 30 -5.924 6.434 1.863 1.00 1.03 C ATOM 516 CD1 ILE A 30 -5.993 3.522 1.004 1.00 1.16 C ATOM 0 H ILE A 30 -8.358 6.594 0.427 1.00 0.96 H new ATOM 0 HA ILE A 30 -5.958 8.030 -0.280 1.00 1.02 H new ATOM 0 HB ILE A 30 -4.823 5.905 0.084 1.00 1.05 H new ATOM 0 HG12 ILE A 30 -7.607 4.756 0.336 1.00 1.11 H new ATOM 0 HG13 ILE A 30 -6.425 4.385 -0.904 1.00 1.11 H new ATOM 0 HG21 ILE A 30 -5.462 5.660 2.476 1.00 1.03 H new ATOM 0 HG22 ILE A 30 -5.388 7.373 1.999 1.00 1.03 H new ATOM 0 HG23 ILE A 30 -6.964 6.563 2.164 1.00 1.03 H new ATOM 0 HD11 ILE A 30 -6.527 2.601 0.771 1.00 1.16 H new ATOM 0 HD12 ILE A 30 -4.931 3.388 0.798 1.00 1.16 H new ATOM 0 HD13 ILE A 30 -6.131 3.765 2.058 1.00 1.16 H new ATOM 528 N GLU A 31 -7.400 6.350 -2.669 1.00 1.12 N ATOM 529 CA GLU A 31 -7.408 6.225 -4.131 1.00 1.17 C ATOM 530 C GLU A 31 -7.635 7.581 -4.817 1.00 1.14 C ATOM 531 O GLU A 31 -6.953 7.895 -5.791 1.00 1.15 O ATOM 532 CB GLU A 31 -8.356 5.104 -4.599 1.00 1.23 C ATOM 533 CG GLU A 31 -9.768 5.452 -5.095 1.00 1.87 C ATOM 534 CD GLU A 31 -9.841 5.926 -6.559 1.00 2.53 C ATOM 535 OE1 GLU A 31 -9.152 5.365 -7.443 1.00 2.80 O ATOM 536 OE2 GLU A 31 -10.652 6.833 -6.854 1.00 3.57 O ATOM 0 H GLU A 31 -8.239 5.985 -2.219 1.00 1.12 H new ATOM 0 HA GLU A 31 -6.416 5.910 -4.454 1.00 1.17 H new ATOM 0 HB2 GLU A 31 -7.852 4.568 -5.403 1.00 1.23 H new ATOM 0 HB3 GLU A 31 -8.466 4.405 -3.770 1.00 1.23 H new ATOM 0 HG2 GLU A 31 -10.405 4.575 -4.980 1.00 1.87 H new ATOM 0 HG3 GLU A 31 -10.181 6.232 -4.455 1.00 1.87 H new ATOM 543 N LEU A 32 -8.498 8.439 -4.260 1.00 1.08 N ATOM 544 CA LEU A 32 -8.666 9.833 -4.672 1.00 1.04 C ATOM 545 C LEU A 32 -7.347 10.605 -4.551 1.00 0.97 C ATOM 546 O LEU A 32 -6.986 11.325 -5.480 1.00 0.99 O ATOM 547 CB LEU A 32 -9.770 10.490 -3.817 1.00 1.03 C ATOM 548 CG LEU A 32 -11.218 10.131 -4.208 1.00 1.11 C ATOM 549 CD1 LEU A 32 -12.165 10.745 -3.165 1.00 1.12 C ATOM 550 CD2 LEU A 32 -11.593 10.646 -5.606 1.00 1.20 C ATOM 0 H LEU A 32 -9.113 8.174 -3.491 1.00 1.08 H new ATOM 0 HA LEU A 32 -8.964 9.860 -5.720 1.00 1.04 H new ATOM 0 HB2 LEU A 32 -9.614 10.209 -2.776 1.00 1.03 H new ATOM 0 HB3 LEU A 32 -9.654 11.572 -3.876 1.00 1.03 H new ATOM 0 HG LEU A 32 -11.306 9.045 -4.233 1.00 1.11 H new ATOM 0 HD11 LEU A 32 -13.196 10.503 -3.423 1.00 1.12 H new ATOM 0 HD12 LEU A 32 -11.933 10.341 -2.180 1.00 1.12 H new ATOM 0 HD13 LEU A 32 -12.039 11.828 -3.152 1.00 1.12 H new ATOM 0 HD21 LEU A 32 -12.622 10.367 -5.833 1.00 1.20 H new ATOM 0 HD22 LEU A 32 -11.497 11.732 -5.632 1.00 1.20 H new ATOM 0 HD23 LEU A 32 -10.926 10.206 -6.347 1.00 1.20 H new ATOM 562 N GLN A 33 -6.593 10.425 -3.465 1.00 0.93 N ATOM 563 CA GLN A 33 -5.278 11.052 -3.299 1.00 0.90 C ATOM 564 C GLN A 33 -4.267 10.566 -4.357 1.00 0.89 C ATOM 565 O GLN A 33 -3.451 11.364 -4.814 1.00 0.95 O ATOM 566 CB GLN A 33 -4.792 10.806 -1.855 1.00 0.92 C ATOM 567 CG GLN A 33 -3.387 11.341 -1.514 1.00 1.10 C ATOM 568 CD GLN A 33 -3.240 12.860 -1.657 1.00 1.95 C ATOM 569 OE1 GLN A 33 -3.281 13.612 -0.693 1.00 2.39 O ATOM 570 NE2 GLN A 33 -3.046 13.375 -2.853 1.00 3.25 N ATOM 0 H GLN A 33 -6.875 9.842 -2.677 1.00 0.93 H new ATOM 0 HA GLN A 33 -5.366 12.126 -3.461 1.00 0.90 H new ATOM 0 HB2 GLN A 33 -5.508 11.260 -1.170 1.00 0.92 H new ATOM 0 HB3 GLN A 33 -4.806 9.733 -1.666 1.00 0.92 H new ATOM 0 HG2 GLN A 33 -3.142 11.059 -0.490 1.00 1.10 H new ATOM 0 HG3 GLN A 33 -2.658 10.854 -2.162 1.00 1.10 H new ATOM 0 HE21 GLN A 33 -3.008 12.766 -3.670 1.00 3.25 H new ATOM 0 HE22 GLN A 33 -2.933 14.383 -2.962 1.00 3.25 H new ATOM 579 N ALA A 34 -4.336 9.308 -4.801 1.00 0.87 N ATOM 580 CA ALA A 34 -3.507 8.784 -5.892 1.00 0.86 C ATOM 581 C ALA A 34 -3.935 9.337 -7.269 1.00 0.85 C ATOM 582 O ALA A 34 -3.090 9.725 -8.080 1.00 0.86 O ATOM 583 CB ALA A 34 -3.572 7.253 -5.844 1.00 0.90 C ATOM 0 H ALA A 34 -4.976 8.617 -4.409 1.00 0.87 H new ATOM 0 HA ALA A 34 -2.477 9.114 -5.756 1.00 0.86 H new ATOM 0 HB1 ALA A 34 -2.963 6.838 -6.647 1.00 0.90 H new ATOM 0 HB2 ALA A 34 -3.194 6.903 -4.883 1.00 0.90 H new ATOM 0 HB3 ALA A 34 -4.605 6.929 -5.968 1.00 0.90 H new ATOM 589 N GLN A 35 -5.246 9.406 -7.524 1.00 0.88 N ATOM 590 CA GLN A 35 -5.836 9.960 -8.749 1.00 0.91 C ATOM 591 C GLN A 35 -5.534 11.459 -8.899 1.00 0.92 C ATOM 592 O GLN A 35 -5.256 11.924 -10.002 1.00 0.94 O ATOM 593 CB GLN A 35 -7.362 9.756 -8.722 1.00 1.00 C ATOM 594 CG GLN A 35 -7.807 8.280 -8.715 1.00 1.09 C ATOM 595 CD GLN A 35 -8.403 7.753 -10.023 1.00 1.67 C ATOM 596 OE1 GLN A 35 -8.220 8.288 -11.113 1.00 2.18 O ATOM 597 NE2 GLN A 35 -9.142 6.667 -9.960 1.00 2.09 N ATOM 0 H GLN A 35 -5.947 9.068 -6.865 1.00 0.88 H new ATOM 0 HA GLN A 35 -5.395 9.436 -9.597 1.00 0.91 H new ATOM 0 HB2 GLN A 35 -7.767 10.249 -7.838 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -7.798 10.250 -9.590 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -6.947 7.663 -8.456 1.00 1.09 H new ATOM 0 HG3 GLN A 35 -8.544 8.147 -7.923 1.00 1.09 H new ATOM 0 HE21 GLN A 35 -9.303 6.211 -9.062 1.00 2.09 H new ATOM 0 HE22 GLN A 35 -9.554 6.281 -10.809 1.00 2.09 H new ATOM 606 N GLN A 36 -5.540 12.211 -7.789 1.00 0.93 N ATOM 607 CA GLN A 36 -5.294 13.660 -7.763 1.00 0.99 C ATOM 608 C GLN A 36 -3.880 14.031 -8.227 1.00 0.92 C ATOM 609 O GLN A 36 -3.668 15.138 -8.728 1.00 1.01 O ATOM 610 CB GLN A 36 -5.552 14.188 -6.338 1.00 1.06 C ATOM 611 CG GLN A 36 -7.038 14.488 -6.069 1.00 1.34 C ATOM 612 CD GLN A 36 -7.529 15.745 -6.795 1.00 1.69 C ATOM 613 OE1 GLN A 36 -7.335 16.870 -6.348 1.00 1.90 O ATOM 614 NE2 GLN A 36 -8.166 15.618 -7.943 1.00 2.58 N ATOM 0 H GLN A 36 -5.720 11.820 -6.864 1.00 0.93 H new ATOM 0 HA GLN A 36 -5.980 14.129 -8.469 1.00 0.99 H new ATOM 0 HB2 GLN A 36 -5.198 13.454 -5.614 1.00 1.06 H new ATOM 0 HB3 GLN A 36 -4.969 15.096 -6.182 1.00 1.06 H new ATOM 0 HG2 GLN A 36 -7.639 13.634 -6.382 1.00 1.34 H new ATOM 0 HG3 GLN A 36 -7.191 14.610 -4.997 1.00 1.34 H new ATOM 0 HE21 GLN A 36 -8.337 14.691 -8.331 1.00 2.58 H new ATOM 0 HE22 GLN A 36 -8.487 16.447 -8.442 1.00 2.58 H new ATOM 623 N LEU A 37 -2.928 13.103 -8.097 1.00 0.84 N ATOM 624 CA LEU A 37 -1.532 13.271 -8.502 1.00 0.81 C ATOM 625 C LEU A 37 -1.212 12.572 -9.843 1.00 0.81 C ATOM 626 O LEU A 37 -0.070 12.633 -10.300 1.00 0.85 O ATOM 627 CB LEU A 37 -0.645 12.768 -7.349 1.00 0.73 C ATOM 628 CG LEU A 37 -0.916 13.401 -5.966 1.00 0.77 C ATOM 629 CD1 LEU A 37 -0.003 12.749 -4.920 1.00 1.03 C ATOM 630 CD2 LEU A 37 -0.732 14.924 -5.964 1.00 1.19 C ATOM 0 H LEU A 37 -3.115 12.185 -7.694 1.00 0.84 H new ATOM 0 HA LEU A 37 -1.330 14.326 -8.689 1.00 0.81 H new ATOM 0 HB2 LEU A 37 -0.770 11.689 -7.264 1.00 0.73 H new ATOM 0 HB3 LEU A 37 0.397 12.949 -7.612 1.00 0.73 H new ATOM 0 HG LEU A 37 -1.961 13.216 -5.717 1.00 0.77 H new ATOM 0 HD11 LEU A 37 -0.193 13.194 -3.943 1.00 1.03 H new ATOM 0 HD12 LEU A 37 -0.206 11.679 -4.876 1.00 1.03 H new ATOM 0 HD13 LEU A 37 1.039 12.910 -5.196 1.00 1.03 H new ATOM 0 HD21 LEU A 37 -0.936 15.314 -4.967 1.00 1.19 H new ATOM 0 HD22 LEU A 37 0.292 15.167 -6.247 1.00 1.19 H new ATOM 0 HD23 LEU A 37 -1.422 15.375 -6.677 1.00 1.19 H new ATOM 642 N GLU A 38 -2.202 11.924 -10.472 1.00 0.81 N ATOM 643 CA GLU A 38 -2.136 11.299 -11.804 1.00 0.84 C ATOM 644 C GLU A 38 -1.074 10.177 -11.887 1.00 0.81 C ATOM 645 O GLU A 38 -0.196 10.171 -12.752 1.00 0.88 O ATOM 646 CB GLU A 38 -2.015 12.383 -12.897 1.00 0.93 C ATOM 647 CG GLU A 38 -2.427 11.874 -14.286 1.00 2.15 C ATOM 648 CD GLU A 38 -2.472 13.023 -15.304 1.00 2.17 C ATOM 649 OE1 GLU A 38 -3.528 13.690 -15.424 1.00 2.01 O ATOM 650 OE2 GLU A 38 -1.458 13.266 -16.002 1.00 3.04 O ATOM 0 H GLU A 38 -3.121 11.815 -10.043 1.00 0.81 H new ATOM 0 HA GLU A 38 -3.074 10.776 -11.990 1.00 0.84 H new ATOM 0 HB2 GLU A 38 -2.638 13.236 -12.628 1.00 0.93 H new ATOM 0 HB3 GLU A 38 -0.986 12.740 -12.936 1.00 0.93 H new ATOM 0 HG2 GLU A 38 -1.722 11.114 -14.622 1.00 2.15 H new ATOM 0 HG3 GLU A 38 -3.406 11.398 -14.227 1.00 2.15 H new ATOM 657 N TYR A 39 -1.131 9.227 -10.948 1.00 0.83 N ATOM 658 CA TYR A 39 -0.159 8.130 -10.830 1.00 0.86 C ATOM 659 C TYR A 39 -0.372 7.008 -11.871 1.00 0.86 C ATOM 660 O TYR A 39 0.482 6.788 -12.732 1.00 0.97 O ATOM 661 CB TYR A 39 -0.238 7.564 -9.397 1.00 0.84 C ATOM 662 CG TYR A 39 0.697 8.194 -8.381 1.00 0.88 C ATOM 663 CD1 TYR A 39 0.772 9.592 -8.236 1.00 1.85 C ATOM 664 CD2 TYR A 39 1.509 7.372 -7.572 1.00 2.27 C ATOM 665 CE1 TYR A 39 1.641 10.161 -7.287 1.00 1.93 C ATOM 666 CE2 TYR A 39 2.371 7.932 -6.611 1.00 2.34 C ATOM 667 CZ TYR A 39 2.430 9.334 -6.462 1.00 1.16 C ATOM 668 OH TYR A 39 3.255 9.898 -5.544 1.00 1.39 O ATOM 0 H TYR A 39 -1.863 9.196 -10.238 1.00 0.83 H new ATOM 0 HA TYR A 39 0.832 8.535 -11.034 1.00 0.86 H new ATOM 0 HB2 TYR A 39 -1.261 7.677 -9.039 1.00 0.84 H new ATOM 0 HB3 TYR A 39 -0.031 6.495 -9.438 1.00 0.84 H new ATOM 0 HD1 TYR A 39 0.160 10.231 -8.856 1.00 1.85 H new ATOM 0 HD2 TYR A 39 1.469 6.299 -7.692 1.00 2.27 H new ATOM 0 HE1 TYR A 39 1.704 11.235 -7.190 1.00 1.93 H new ATOM 0 HE2 TYR A 39 2.983 7.293 -5.992 1.00 2.34 H new ATOM 0 HH TYR A 39 3.365 9.288 -4.785 1.00 1.39 H new ATOM 678 N ASP A 40 -1.503 6.301 -11.766 1.00 0.77 N ATOM 679 CA ASP A 40 -1.819 4.981 -12.345 1.00 0.78 C ATOM 680 C ASP A 40 -2.964 4.361 -11.527 1.00 0.66 C ATOM 681 O ASP A 40 -4.133 4.463 -11.893 1.00 0.74 O ATOM 682 CB ASP A 40 -0.602 4.013 -12.344 1.00 0.91 C ATOM 683 CG ASP A 40 0.110 3.774 -13.673 1.00 0.92 C ATOM 684 OD1 ASP A 40 -0.431 4.105 -14.755 1.00 2.35 O ATOM 685 OD2 ASP A 40 1.192 3.153 -13.593 1.00 2.20 O ATOM 0 H ASP A 40 -2.290 6.665 -11.229 1.00 0.77 H new ATOM 0 HA ASP A 40 -2.103 5.129 -13.387 1.00 0.78 H new ATOM 0 HB2 ASP A 40 0.131 4.395 -11.634 1.00 0.91 H new ATOM 0 HB3 ASP A 40 -0.940 3.048 -11.965 1.00 0.91 H new ATOM 690 N TYR A 41 -2.597 3.723 -10.412 1.00 0.59 N ATOM 691 CA TYR A 41 -3.375 2.740 -9.665 1.00 0.59 C ATOM 692 C TYR A 41 -2.831 2.598 -8.232 1.00 0.54 C ATOM 693 O TYR A 41 -1.650 2.845 -7.962 1.00 0.55 O ATOM 694 CB TYR A 41 -3.286 1.361 -10.346 1.00 0.55 C ATOM 695 CG TYR A 41 -3.725 1.242 -11.797 1.00 0.59 C ATOM 696 CD1 TYR A 41 -5.055 1.523 -12.162 1.00 1.24 C ATOM 697 CD2 TYR A 41 -2.819 0.772 -12.772 1.00 1.75 C ATOM 698 CE1 TYR A 41 -5.470 1.378 -13.499 1.00 1.16 C ATOM 699 CE2 TYR A 41 -3.231 0.608 -14.110 1.00 1.95 C ATOM 700 CZ TYR A 41 -4.557 0.930 -14.480 1.00 0.93 C ATOM 701 OH TYR A 41 -4.970 0.774 -15.769 1.00 1.14 O ATOM 0 H TYR A 41 -1.688 3.893 -9.982 1.00 0.59 H new ATOM 0 HA TYR A 41 -4.409 3.084 -9.640 1.00 0.59 H new ATOM 0 HB2 TYR A 41 -2.251 1.026 -10.284 1.00 0.55 H new ATOM 0 HB3 TYR A 41 -3.883 0.662 -9.760 1.00 0.55 H new ATOM 0 HD1 TYR A 41 -5.760 1.851 -11.413 1.00 1.24 H new ATOM 0 HD2 TYR A 41 -1.803 0.536 -12.491 1.00 1.75 H new ATOM 0 HE1 TYR A 41 -6.488 1.610 -13.776 1.00 1.16 H new ATOM 0 HE2 TYR A 41 -2.536 0.238 -14.850 1.00 1.95 H new ATOM 0 HH TYR A 41 -4.220 0.461 -16.317 1.00 1.14 H new ATOM 711 N TYR A 42 -3.689 2.122 -7.334 1.00 0.53 N ATOM 712 CA TYR A 42 -3.378 1.803 -5.939 1.00 0.50 C ATOM 713 C TYR A 42 -3.508 0.297 -5.675 1.00 0.46 C ATOM 714 O TYR A 42 -4.237 -0.409 -6.372 1.00 0.52 O ATOM 715 CB TYR A 42 -4.345 2.568 -5.017 1.00 0.65 C ATOM 716 CG TYR A 42 -5.779 2.073 -5.111 1.00 1.44 C ATOM 717 CD1 TYR A 42 -6.596 2.507 -6.172 1.00 2.65 C ATOM 718 CD2 TYR A 42 -6.272 1.124 -4.192 1.00 2.35 C ATOM 719 CE1 TYR A 42 -7.898 1.998 -6.317 1.00 3.63 C ATOM 720 CE2 TYR A 42 -7.565 0.588 -4.349 1.00 3.14 C ATOM 721 CZ TYR A 42 -8.379 1.017 -5.424 1.00 3.56 C ATOM 722 OH TYR A 42 -9.617 0.483 -5.612 1.00 4.62 O ATOM 0 H TYR A 42 -4.665 1.939 -7.567 1.00 0.53 H new ATOM 0 HA TYR A 42 -2.349 2.100 -5.737 1.00 0.50 H new ATOM 0 HB2 TYR A 42 -4.003 2.477 -3.986 1.00 0.65 H new ATOM 0 HB3 TYR A 42 -4.316 3.628 -5.270 1.00 0.65 H new ATOM 0 HD1 TYR A 42 -6.221 3.234 -6.877 1.00 2.65 H new ATOM 0 HD2 TYR A 42 -5.655 0.807 -3.364 1.00 2.35 H new ATOM 0 HE1 TYR A 42 -8.532 2.359 -7.114 1.00 3.63 H new ATOM 0 HE2 TYR A 42 -7.934 -0.149 -3.651 1.00 3.14 H new ATOM 0 HH TYR A 42 -10.206 0.756 -4.878 1.00 4.62 H new ATOM 732 N SER A 43 -2.883 -0.180 -4.611 1.00 0.44 N ATOM 733 CA SER A 43 -3.114 -1.491 -4.015 1.00 0.45 C ATOM 734 C SER A 43 -3.092 -1.381 -2.485 1.00 0.39 C ATOM 735 O SER A 43 -2.365 -0.565 -1.909 1.00 0.35 O ATOM 736 CB SER A 43 -2.071 -2.487 -4.521 1.00 0.53 C ATOM 737 OG SER A 43 -2.241 -3.768 -3.945 1.00 1.66 O ATOM 0 H SER A 43 -2.170 0.356 -4.116 1.00 0.44 H new ATOM 0 HA SER A 43 -4.097 -1.858 -4.311 1.00 0.45 H new ATOM 0 HB2 SER A 43 -2.140 -2.565 -5.606 1.00 0.53 H new ATOM 0 HB3 SER A 43 -1.073 -2.115 -4.291 1.00 0.53 H new ATOM 0 HG SER A 43 -1.557 -4.377 -4.294 1.00 1.66 H new ATOM 743 N LEU A 44 -3.920 -2.191 -1.832 1.00 0.48 N ATOM 744 CA LEU A 44 -4.215 -2.199 -0.401 1.00 0.49 C ATOM 745 C LEU A 44 -4.245 -3.673 0.017 1.00 0.54 C ATOM 746 O LEU A 44 -4.937 -4.462 -0.626 1.00 0.60 O ATOM 747 CB LEU A 44 -5.580 -1.476 -0.254 1.00 0.72 C ATOM 748 CG LEU A 44 -6.256 -1.340 1.127 1.00 1.07 C ATOM 749 CD1 LEU A 44 -6.579 -2.685 1.785 1.00 2.33 C ATOM 750 CD2 LEU A 44 -5.459 -0.479 2.108 1.00 2.22 C ATOM 0 H LEU A 44 -4.442 -2.914 -2.326 1.00 0.48 H new ATOM 0 HA LEU A 44 -3.491 -1.690 0.235 1.00 0.49 H new ATOM 0 HB2 LEU A 44 -5.453 -0.468 -0.649 1.00 0.72 H new ATOM 0 HB3 LEU A 44 -6.286 -1.988 -0.907 1.00 0.72 H new ATOM 0 HG LEU A 44 -7.196 -0.834 0.906 1.00 1.07 H new ATOM 0 HD11 LEU A 44 -7.052 -2.513 2.752 1.00 2.33 H new ATOM 0 HD12 LEU A 44 -7.257 -3.250 1.145 1.00 2.33 H new ATOM 0 HD13 LEU A 44 -5.658 -3.251 1.927 1.00 2.33 H new ATOM 0 HD21 LEU A 44 -5.990 -0.424 3.059 1.00 2.22 H new ATOM 0 HD22 LEU A 44 -4.476 -0.923 2.266 1.00 2.22 H new ATOM 0 HD23 LEU A 44 -5.342 0.525 1.699 1.00 2.22 H new ATOM 762 N CYS A 45 -3.516 -4.066 1.067 1.00 0.59 N ATOM 763 CA CYS A 45 -3.476 -5.452 1.547 1.00 0.60 C ATOM 764 C CYS A 45 -3.526 -5.535 3.086 1.00 0.62 C ATOM 765 O CYS A 45 -2.828 -4.790 3.770 1.00 0.65 O ATOM 766 CB CYS A 45 -2.239 -6.130 0.939 1.00 0.62 C ATOM 767 SG CYS A 45 -2.205 -7.893 1.366 1.00 1.22 S ATOM 0 H CYS A 45 -2.934 -3.429 1.611 1.00 0.59 H new ATOM 0 HA CYS A 45 -4.366 -5.989 1.219 1.00 0.60 H new ATOM 0 HB2 CYS A 45 -2.249 -6.013 -0.145 1.00 0.62 H new ATOM 0 HB3 CYS A 45 -1.334 -5.644 1.304 1.00 0.62 H new ATOM 0 HG CYS A 45 -3.422 -8.329 1.508 1.00 1.22 H new ATOM 773 N VAL A 46 -4.354 -6.437 3.619 1.00 0.70 N ATOM 774 CA VAL A 46 -4.710 -6.562 5.052 1.00 0.80 C ATOM 775 C VAL A 46 -4.536 -8.016 5.511 1.00 0.90 C ATOM 776 O VAL A 46 -4.855 -8.938 4.759 1.00 0.95 O ATOM 777 CB VAL A 46 -6.171 -6.093 5.288 1.00 0.84 C ATOM 778 CG1 VAL A 46 -6.718 -6.416 6.691 1.00 1.66 C ATOM 779 CG2 VAL A 46 -6.295 -4.575 5.080 1.00 1.58 C ATOM 0 H VAL A 46 -4.821 -7.138 3.044 1.00 0.70 H new ATOM 0 HA VAL A 46 -4.045 -5.927 5.636 1.00 0.80 H new ATOM 0 HB VAL A 46 -6.761 -6.649 4.559 1.00 0.84 H new ATOM 0 HG11 VAL A 46 -7.743 -6.055 6.774 1.00 1.66 H new ATOM 0 HG12 VAL A 46 -6.699 -7.494 6.850 1.00 1.66 H new ATOM 0 HG13 VAL A 46 -6.100 -5.927 7.444 1.00 1.66 H new ATOM 0 HG21 VAL A 46 -7.327 -4.268 5.250 1.00 1.58 H new ATOM 0 HG22 VAL A 46 -5.641 -4.057 5.782 1.00 1.58 H new ATOM 0 HG23 VAL A 46 -6.005 -4.323 4.060 1.00 1.58 H new ATOM 789 N ARG A 47 -4.044 -8.212 6.744 1.00 0.99 N ATOM 790 CA ARG A 47 -3.681 -9.521 7.305 1.00 1.10 C ATOM 791 C ARG A 47 -3.797 -9.535 8.839 1.00 1.28 C ATOM 792 O ARG A 47 -3.143 -8.756 9.530 1.00 1.32 O ATOM 793 CB ARG A 47 -2.242 -9.822 6.849 1.00 1.08 C ATOM 794 CG ARG A 47 -1.714 -11.205 7.251 1.00 1.78 C ATOM 795 CD ARG A 47 -0.277 -11.354 6.735 1.00 1.52 C ATOM 796 NE ARG A 47 0.169 -12.757 6.751 1.00 2.56 N ATOM 797 CZ ARG A 47 1.428 -13.181 6.724 1.00 3.01 C ATOM 798 NH1 ARG A 47 2.449 -12.351 6.804 1.00 2.97 N ATOM 799 NH2 ARG A 47 1.681 -14.466 6.609 1.00 3.99 N ATOM 0 H ARG A 47 -3.884 -7.443 7.395 1.00 0.99 H new ATOM 0 HA ARG A 47 -4.367 -10.289 6.948 1.00 1.10 H new ATOM 0 HB2 ARG A 47 -2.194 -9.732 5.764 1.00 1.08 H new ATOM 0 HB3 ARG A 47 -1.579 -9.062 7.262 1.00 1.08 H new ATOM 0 HG2 ARG A 47 -1.740 -11.318 8.335 1.00 1.78 H new ATOM 0 HG3 ARG A 47 -2.348 -11.987 6.834 1.00 1.78 H new ATOM 0 HD2 ARG A 47 -0.214 -10.964 5.719 1.00 1.52 H new ATOM 0 HD3 ARG A 47 0.393 -10.753 7.349 1.00 1.52 H new ATOM 0 HE ARG A 47 -0.558 -13.472 6.786 1.00 2.56 H new ATOM 0 HH11 ARG A 47 2.285 -11.348 6.890 1.00 2.97 H new ATOM 0 HH12 ARG A 47 3.403 -12.712 6.780 1.00 2.97 H new ATOM 0 HH21 ARG A 47 0.912 -15.133 6.541 1.00 3.99 H new ATOM 0 HH22 ARG A 47 2.646 -14.796 6.588 1.00 3.99 H new ATOM 813 N HIS A 48 -4.587 -10.447 9.403 1.00 1.48 N ATOM 814 CA HIS A 48 -4.788 -10.566 10.858 1.00 1.72 C ATOM 815 C HIS A 48 -4.649 -12.031 11.343 1.00 1.70 C ATOM 816 O HIS A 48 -5.299 -12.926 10.785 1.00 1.71 O ATOM 817 CB HIS A 48 -6.153 -9.967 11.225 1.00 2.07 C ATOM 818 CG HIS A 48 -6.641 -10.287 12.621 1.00 3.43 C ATOM 819 ND1 HIS A 48 -6.101 -9.864 13.815 1.00 4.92 N ATOM 820 CD2 HIS A 48 -7.711 -11.081 12.937 1.00 4.26 C ATOM 821 CE1 HIS A 48 -6.817 -10.401 14.817 1.00 6.04 C ATOM 822 NE2 HIS A 48 -7.819 -11.153 14.332 1.00 5.76 N ATOM 0 H HIS A 48 -5.114 -11.134 8.863 1.00 1.48 H new ATOM 0 HA HIS A 48 -4.006 -10.006 11.371 1.00 1.72 H new ATOM 0 HB2 HIS A 48 -6.098 -8.884 11.116 1.00 2.07 H new ATOM 0 HB3 HIS A 48 -6.893 -10.323 10.508 1.00 2.07 H new ATOM 0 HD1 HIS A 48 -5.295 -9.248 13.921 1.00 4.92 H new ATOM 0 HD2 HIS A 48 -8.363 -11.570 12.229 1.00 4.26 H new ATOM 0 HE1 HIS A 48 -6.615 -10.249 15.867 1.00 6.04 H new ATOM 830 N PRO A 49 -3.820 -12.298 12.377 1.00 1.75 N ATOM 831 CA PRO A 49 -3.585 -13.646 12.878 1.00 1.80 C ATOM 832 C PRO A 49 -4.704 -14.076 13.843 1.00 1.84 C ATOM 833 O PRO A 49 -4.572 -13.955 15.060 1.00 2.08 O ATOM 834 CB PRO A 49 -2.196 -13.588 13.527 1.00 1.88 C ATOM 835 CG PRO A 49 -2.122 -12.162 14.070 1.00 1.89 C ATOM 836 CD PRO A 49 -2.905 -11.363 13.030 1.00 1.81 C ATOM 0 HA PRO A 49 -3.604 -14.404 12.095 1.00 1.80 H new ATOM 0 HB2 PRO A 49 -2.092 -14.327 14.321 1.00 1.88 H new ATOM 0 HB3 PRO A 49 -1.405 -13.785 12.803 1.00 1.88 H new ATOM 0 HG2 PRO A 49 -2.569 -12.083 15.061 1.00 1.89 H new ATOM 0 HG3 PRO A 49 -1.092 -11.815 14.156 1.00 1.89 H new ATOM 0 HD2 PRO A 49 -3.456 -10.550 13.502 1.00 1.81 H new ATOM 0 HD3 PRO A 49 -2.231 -10.911 12.303 1.00 1.81 H new ATOM 844 N VAL A 50 -5.801 -14.621 13.302 1.00 1.70 N ATOM 845 CA VAL A 50 -6.884 -15.212 14.120 1.00 1.68 C ATOM 846 C VAL A 50 -6.355 -16.474 14.834 1.00 1.89 C ATOM 847 O VAL A 50 -5.750 -17.320 14.172 1.00 1.99 O ATOM 848 CB VAL A 50 -8.142 -15.599 13.300 1.00 1.54 C ATOM 849 CG1 VAL A 50 -9.293 -16.059 14.212 1.00 1.56 C ATOM 850 CG2 VAL A 50 -8.682 -14.441 12.455 1.00 1.42 C ATOM 0 H VAL A 50 -5.968 -14.668 12.297 1.00 1.70 H new ATOM 0 HA VAL A 50 -7.187 -14.444 14.832 1.00 1.68 H new ATOM 0 HB VAL A 50 -7.811 -16.407 12.648 1.00 1.54 H new ATOM 0 HG11 VAL A 50 -10.157 -16.322 13.602 1.00 1.56 H new ATOM 0 HG12 VAL A 50 -8.976 -16.929 14.787 1.00 1.56 H new ATOM 0 HG13 VAL A 50 -9.562 -15.252 14.894 1.00 1.56 H new ATOM 0 HG21 VAL A 50 -9.562 -14.772 11.904 1.00 1.42 H new ATOM 0 HG22 VAL A 50 -8.953 -13.611 13.107 1.00 1.42 H new ATOM 0 HG23 VAL A 50 -7.915 -14.115 11.752 1.00 1.42 H new ATOM 860 N PRO A 51 -6.571 -16.634 16.157 1.00 2.01 N ATOM 861 CA PRO A 51 -6.136 -17.816 16.898 1.00 2.23 C ATOM 862 C PRO A 51 -7.169 -18.960 16.886 1.00 2.29 C ATOM 863 O PRO A 51 -6.800 -20.119 17.065 1.00 2.50 O ATOM 864 CB PRO A 51 -5.857 -17.299 18.311 1.00 2.38 C ATOM 865 CG PRO A 51 -6.828 -16.133 18.488 1.00 2.23 C ATOM 866 CD PRO A 51 -7.076 -15.614 17.067 1.00 1.99 C ATOM 0 HA PRO A 51 -5.256 -18.269 16.441 1.00 2.23 H new ATOM 0 HB2 PRO A 51 -6.027 -18.074 19.058 1.00 2.38 H new ATOM 0 HB3 PRO A 51 -4.822 -16.974 18.418 1.00 2.38 H new ATOM 0 HG2 PRO A 51 -7.756 -16.458 18.958 1.00 2.23 H new ATOM 0 HG3 PRO A 51 -6.403 -15.357 19.125 1.00 2.23 H new ATOM 0 HD2 PRO A 51 -8.138 -15.437 16.899 1.00 1.99 H new ATOM 0 HD3 PRO A 51 -6.565 -14.665 16.907 1.00 1.99 H new ATOM 874 N PHE A 52 -8.448 -18.647 16.649 1.00 2.14 N ATOM 875 CA PHE A 52 -9.566 -19.600 16.566 1.00 2.20 C ATOM 876 C PHE A 52 -9.721 -20.279 15.189 1.00 2.22 C ATOM 877 O PHE A 52 -10.454 -21.266 15.079 1.00 2.40 O ATOM 878 CB PHE A 52 -10.866 -18.855 16.925 1.00 2.10 C ATOM 879 CG PHE A 52 -11.044 -18.581 18.405 1.00 2.15 C ATOM 880 CD1 PHE A 52 -10.477 -17.435 18.994 1.00 2.83 C ATOM 881 CD2 PHE A 52 -11.789 -19.475 19.198 1.00 2.64 C ATOM 882 CE1 PHE A 52 -10.642 -17.193 20.371 1.00 2.92 C ATOM 883 CE2 PHE A 52 -11.963 -19.229 20.572 1.00 2.75 C ATOM 884 CZ PHE A 52 -11.386 -18.088 21.159 1.00 2.39 C ATOM 0 H PHE A 52 -8.747 -17.683 16.503 1.00 2.14 H new ATOM 0 HA PHE A 52 -9.351 -20.405 17.268 1.00 2.20 H new ATOM 0 HB2 PHE A 52 -10.887 -17.907 16.388 1.00 2.10 H new ATOM 0 HB3 PHE A 52 -11.715 -19.440 16.572 1.00 2.10 H new ATOM 0 HD1 PHE A 52 -9.914 -16.740 18.388 1.00 2.83 H new ATOM 0 HD2 PHE A 52 -12.229 -20.353 18.749 1.00 2.64 H new ATOM 0 HE1 PHE A 52 -10.196 -16.319 20.822 1.00 2.92 H new ATOM 0 HE2 PHE A 52 -12.539 -19.915 21.176 1.00 2.75 H new ATOM 0 HZ PHE A 52 -11.515 -17.900 22.215 1.00 2.39 H new ATOM 894 N THR A 53 -9.076 -19.750 14.138 1.00 2.07 N ATOM 895 CA THR A 53 -9.243 -20.177 12.734 1.00 2.06 C ATOM 896 C THR A 53 -7.960 -19.954 11.936 1.00 1.98 C ATOM 897 O THR A 53 -7.069 -19.244 12.401 1.00 1.98 O ATOM 898 CB THR A 53 -10.484 -19.482 12.134 1.00 2.03 C ATOM 899 OG1 THR A 53 -11.200 -20.448 11.397 1.00 2.37 O ATOM 900 CG2 THR A 53 -10.238 -18.292 11.207 1.00 1.73 C ATOM 0 H THR A 53 -8.403 -18.990 14.241 1.00 2.07 H new ATOM 0 HA THR A 53 -9.424 -21.251 12.686 1.00 2.06 H new ATOM 0 HB THR A 53 -11.014 -19.069 12.992 1.00 2.03 H new ATOM 0 HG1 THR A 53 -11.997 -20.035 11.004 1.00 2.37 H new ATOM 0 HG21 THR A 53 -11.193 -17.900 10.857 1.00 1.73 H new ATOM 0 HG22 THR A 53 -9.702 -17.513 11.749 1.00 1.73 H new ATOM 0 HG23 THR A 53 -9.643 -18.614 10.352 1.00 1.73 H new ATOM 908 N ARG A 54 -7.853 -20.518 10.727 1.00 2.01 N ATOM 909 CA ARG A 54 -6.710 -20.240 9.840 1.00 1.99 C ATOM 910 C ARG A 54 -6.710 -18.755 9.409 1.00 1.83 C ATOM 911 O ARG A 54 -7.769 -18.234 9.039 1.00 1.78 O ATOM 912 CB ARG A 54 -6.715 -21.159 8.608 1.00 2.12 C ATOM 913 CG ARG A 54 -6.442 -22.642 8.916 1.00 2.34 C ATOM 914 CD ARG A 54 -5.034 -22.880 9.487 1.00 2.80 C ATOM 915 NE ARG A 54 -4.703 -24.315 9.542 1.00 3.17 N ATOM 916 CZ ARG A 54 -4.936 -25.158 10.544 1.00 3.39 C ATOM 917 NH1 ARG A 54 -5.552 -24.787 11.647 1.00 3.95 N ATOM 918 NH2 ARG A 54 -4.540 -26.408 10.444 1.00 3.75 N ATOM 0 H ARG A 54 -8.538 -21.166 10.339 1.00 2.01 H new ATOM 0 HA ARG A 54 -5.797 -20.444 10.400 1.00 1.99 H new ATOM 0 HB2 ARG A 54 -7.682 -21.076 8.113 1.00 2.12 H new ATOM 0 HB3 ARG A 54 -5.964 -20.803 7.902 1.00 2.12 H new ATOM 0 HG2 ARG A 54 -7.184 -23.004 9.628 1.00 2.34 H new ATOM 0 HG3 ARG A 54 -6.563 -23.227 8.004 1.00 2.34 H new ATOM 0 HD2 ARG A 54 -4.299 -22.360 8.872 1.00 2.80 H new ATOM 0 HD3 ARG A 54 -4.970 -22.453 10.488 1.00 2.80 H new ATOM 0 HE ARG A 54 -4.244 -24.706 8.719 1.00 3.17 H new ATOM 0 HH11 ARG A 54 -5.869 -23.823 11.755 1.00 3.95 H new ATOM 0 HH12 ARG A 54 -5.712 -25.463 12.394 1.00 3.95 H new ATOM 0 HH21 ARG A 54 -4.058 -26.725 9.603 1.00 3.75 H new ATOM 0 HH22 ARG A 54 -4.715 -27.061 11.208 1.00 3.75 H new ATOM 932 N PRO A 55 -5.555 -18.063 9.453 1.00 1.87 N ATOM 933 CA PRO A 55 -5.480 -16.619 9.256 1.00 1.81 C ATOM 934 C PRO A 55 -5.726 -16.232 7.795 1.00 1.76 C ATOM 935 O PRO A 55 -5.596 -17.052 6.884 1.00 1.80 O ATOM 936 CB PRO A 55 -4.089 -16.217 9.755 1.00 2.04 C ATOM 937 CG PRO A 55 -3.247 -17.464 9.499 1.00 2.19 C ATOM 938 CD PRO A 55 -4.236 -18.603 9.747 1.00 2.09 C ATOM 0 HA PRO A 55 -6.257 -16.089 9.807 1.00 1.81 H new ATOM 0 HB2 PRO A 55 -3.702 -15.353 9.214 1.00 2.04 H new ATOM 0 HB3 PRO A 55 -4.103 -15.951 10.812 1.00 2.04 H new ATOM 0 HG2 PRO A 55 -2.855 -17.484 8.482 1.00 2.19 H new ATOM 0 HG3 PRO A 55 -2.391 -17.519 10.172 1.00 2.19 H new ATOM 0 HD2 PRO A 55 -4.014 -19.458 9.109 1.00 2.09 H new ATOM 0 HD3 PRO A 55 -4.178 -18.952 10.778 1.00 2.09 H new ATOM 946 N LYS A 56 -6.078 -14.963 7.577 1.00 1.72 N ATOM 947 CA LYS A 56 -6.506 -14.434 6.275 1.00 1.71 C ATOM 948 C LYS A 56 -5.458 -13.479 5.678 1.00 1.31 C ATOM 949 O LYS A 56 -4.782 -12.756 6.412 1.00 1.26 O ATOM 950 CB LYS A 56 -7.824 -13.646 6.449 1.00 2.26 C ATOM 951 CG LYS A 56 -8.998 -14.383 7.112 1.00 2.75 C ATOM 952 CD LYS A 56 -9.530 -15.566 6.291 1.00 2.94 C ATOM 953 CE LYS A 56 -10.800 -16.145 6.934 1.00 3.90 C ATOM 954 NZ LYS A 56 -11.980 -15.247 6.784 1.00 5.27 N ATOM 0 H LYS A 56 -6.074 -14.258 8.314 1.00 1.72 H new ATOM 0 HA LYS A 56 -6.638 -15.282 5.603 1.00 1.71 H new ATOM 0 HB2 LYS A 56 -7.609 -12.754 7.037 1.00 2.26 H new ATOM 0 HB3 LYS A 56 -8.149 -13.309 5.465 1.00 2.26 H new ATOM 0 HG2 LYS A 56 -8.682 -14.745 8.090 1.00 2.75 H new ATOM 0 HG3 LYS A 56 -9.810 -13.676 7.281 1.00 2.75 H new ATOM 0 HD2 LYS A 56 -9.747 -15.241 5.274 1.00 2.94 H new ATOM 0 HD3 LYS A 56 -8.766 -16.340 6.222 1.00 2.94 H new ATOM 0 HE2 LYS A 56 -11.024 -17.111 6.481 1.00 3.90 H new ATOM 0 HE3 LYS A 56 -10.617 -16.324 7.993 1.00 3.90 H new ATOM 0 HZ1 LYS A 56 -12.840 -15.751 7.080 1.00 5.27 H new ATOM 0 HZ2 LYS A 56 -11.852 -14.403 7.378 1.00 5.27 H new ATOM 0 HZ3 LYS A 56 -12.073 -14.959 5.789 1.00 5.27 H new ATOM 968 N VAL A 57 -5.399 -13.407 4.347 1.00 1.16 N ATOM 969 CA VAL A 57 -4.826 -12.276 3.598 1.00 0.97 C ATOM 970 C VAL A 57 -5.887 -11.795 2.605 1.00 0.91 C ATOM 971 O VAL A 57 -6.424 -12.594 1.836 1.00 0.96 O ATOM 972 CB VAL A 57 -3.522 -12.650 2.847 1.00 0.95 C ATOM 973 CG1 VAL A 57 -2.967 -11.453 2.052 1.00 1.81 C ATOM 974 CG2 VAL A 57 -2.426 -13.126 3.815 1.00 2.24 C ATOM 0 H VAL A 57 -5.755 -14.147 3.742 1.00 1.16 H new ATOM 0 HA VAL A 57 -4.553 -11.491 4.303 1.00 0.97 H new ATOM 0 HB VAL A 57 -3.787 -13.458 2.165 1.00 0.95 H new ATOM 0 HG11 VAL A 57 -2.053 -11.750 1.538 1.00 1.81 H new ATOM 0 HG12 VAL A 57 -3.706 -11.128 1.320 1.00 1.81 H new ATOM 0 HG13 VAL A 57 -2.749 -10.632 2.735 1.00 1.81 H new ATOM 0 HG21 VAL A 57 -1.528 -13.379 3.252 1.00 2.24 H new ATOM 0 HG22 VAL A 57 -2.197 -12.331 4.525 1.00 2.24 H new ATOM 0 HG23 VAL A 57 -2.775 -14.006 4.356 1.00 2.24 H new ATOM 984 N ALA A 58 -6.179 -10.495 2.624 1.00 0.85 N ATOM 985 CA ALA A 58 -7.077 -9.820 1.689 1.00 0.81 C ATOM 986 C ALA A 58 -6.318 -8.717 0.943 1.00 0.68 C ATOM 987 O ALA A 58 -5.505 -8.011 1.546 1.00 0.64 O ATOM 988 CB ALA A 58 -8.264 -9.239 2.469 1.00 0.92 C ATOM 0 H ALA A 58 -5.782 -9.860 3.317 1.00 0.85 H new ATOM 0 HA ALA A 58 -7.452 -10.530 0.952 1.00 0.81 H new ATOM 0 HB1 ALA A 58 -8.940 -8.733 1.779 1.00 0.92 H new ATOM 0 HB2 ALA A 58 -8.797 -10.045 2.974 1.00 0.92 H new ATOM 0 HB3 ALA A 58 -7.899 -8.526 3.208 1.00 0.92 H new ATOM 994 N PHE A 59 -6.611 -8.559 -0.350 1.00 0.69 N ATOM 995 CA PHE A 59 -6.031 -7.538 -1.220 1.00 0.60 C ATOM 996 C PHE A 59 -7.101 -6.886 -2.115 1.00 0.57 C ATOM 997 O PHE A 59 -8.023 -7.551 -2.593 1.00 0.66 O ATOM 998 CB PHE A 59 -4.844 -8.120 -2.017 1.00 0.63 C ATOM 999 CG PHE A 59 -5.056 -9.469 -2.703 1.00 0.69 C ATOM 1000 CD1 PHE A 59 -5.929 -9.585 -3.804 1.00 1.56 C ATOM 1001 CD2 PHE A 59 -4.355 -10.613 -2.264 1.00 2.21 C ATOM 1002 CE1 PHE A 59 -6.152 -10.833 -4.411 1.00 1.57 C ATOM 1003 CE2 PHE A 59 -4.581 -11.862 -2.868 1.00 2.27 C ATOM 1004 CZ PHE A 59 -5.490 -11.975 -3.931 1.00 0.90 C ATOM 0 H PHE A 59 -7.280 -9.158 -0.834 1.00 0.69 H new ATOM 0 HA PHE A 59 -5.633 -6.734 -0.601 1.00 0.60 H new ATOM 0 HB2 PHE A 59 -4.561 -7.394 -2.780 1.00 0.63 H new ATOM 0 HB3 PHE A 59 -3.996 -8.216 -1.338 1.00 0.63 H new ATOM 0 HD1 PHE A 59 -6.431 -8.707 -4.184 1.00 1.56 H new ATOM 0 HD2 PHE A 59 -3.640 -10.528 -1.459 1.00 2.21 H new ATOM 0 HE1 PHE A 59 -6.832 -10.914 -5.246 1.00 1.57 H new ATOM 0 HE2 PHE A 59 -4.054 -12.736 -2.513 1.00 2.27 H new ATOM 0 HZ PHE A 59 -5.680 -12.939 -4.379 1.00 0.90 H new ATOM 1014 N TYR A 60 -6.967 -5.576 -2.342 1.00 0.49 N ATOM 1015 CA TYR A 60 -7.847 -4.744 -3.176 1.00 0.54 C ATOM 1016 C TYR A 60 -7.019 -3.803 -4.072 1.00 0.56 C ATOM 1017 O TYR A 60 -5.995 -3.270 -3.633 1.00 0.54 O ATOM 1018 CB TYR A 60 -8.787 -3.908 -2.285 1.00 0.55 C ATOM 1019 CG TYR A 60 -9.657 -4.692 -1.315 1.00 0.52 C ATOM 1020 CD1 TYR A 60 -10.453 -5.759 -1.776 1.00 1.73 C ATOM 1021 CD2 TYR A 60 -9.683 -4.346 0.053 1.00 1.57 C ATOM 1022 CE1 TYR A 60 -11.240 -6.502 -0.878 1.00 1.71 C ATOM 1023 CE2 TYR A 60 -10.475 -5.079 0.956 1.00 1.64 C ATOM 1024 CZ TYR A 60 -11.252 -6.167 0.495 1.00 0.61 C ATOM 1025 OH TYR A 60 -12.010 -6.881 1.373 1.00 0.74 O ATOM 0 H TYR A 60 -6.205 -5.038 -1.930 1.00 0.49 H new ATOM 0 HA TYR A 60 -8.439 -5.404 -3.810 1.00 0.54 H new ATOM 0 HB2 TYR A 60 -8.182 -3.204 -1.713 1.00 0.55 H new ATOM 0 HB3 TYR A 60 -9.438 -3.318 -2.930 1.00 0.55 H new ATOM 0 HD1 TYR A 60 -10.459 -6.008 -2.827 1.00 1.73 H new ATOM 0 HD2 TYR A 60 -9.092 -3.515 0.408 1.00 1.57 H new ATOM 0 HE1 TYR A 60 -11.835 -7.328 -1.238 1.00 1.71 H new ATOM 0 HE2 TYR A 60 -10.490 -4.810 2.002 1.00 1.64 H new ATOM 0 HH TYR A 60 -11.898 -6.515 2.275 1.00 0.74 H new ATOM 1035 N THR A 61 -7.472 -3.572 -5.314 1.00 0.60 N ATOM 1036 CA THR A 61 -6.765 -2.778 -6.335 1.00 0.59 C ATOM 1037 C THR A 61 -7.649 -2.481 -7.548 1.00 0.68 C ATOM 1038 O THR A 61 -8.545 -3.258 -7.880 1.00 0.79 O ATOM 1039 CB THR A 61 -5.443 -3.454 -6.742 1.00 0.57 C ATOM 1040 OG1 THR A 61 -4.811 -2.639 -7.688 1.00 0.80 O ATOM 1041 CG2 THR A 61 -5.587 -4.837 -7.378 1.00 0.70 C ATOM 0 H THR A 61 -8.363 -3.941 -5.646 1.00 0.60 H new ATOM 0 HA THR A 61 -6.521 -1.815 -5.887 1.00 0.59 H new ATOM 0 HB THR A 61 -4.882 -3.585 -5.816 1.00 0.57 H new ATOM 0 HG1 THR A 61 -4.214 -3.184 -8.242 1.00 0.80 H new ATOM 0 HG21 THR A 61 -4.600 -5.227 -7.628 1.00 0.70 H new ATOM 0 HG22 THR A 61 -6.076 -5.511 -6.675 1.00 0.70 H new ATOM 0 HG23 THR A 61 -6.187 -4.760 -8.285 1.00 0.70 H new ATOM 1049 N ASN A 62 -7.366 -1.359 -8.214 1.00 0.68 N ATOM 1050 CA ASN A 62 -7.932 -0.967 -9.510 1.00 0.79 C ATOM 1051 C ASN A 62 -7.000 -1.324 -10.697 1.00 0.71 C ATOM 1052 O ASN A 62 -7.200 -0.847 -11.816 1.00 0.75 O ATOM 1053 CB ASN A 62 -8.283 0.529 -9.441 1.00 0.89 C ATOM 1054 CG ASN A 62 -9.120 1.045 -10.612 1.00 1.63 C ATOM 1055 OD1 ASN A 62 -9.944 0.342 -11.188 1.00 2.22 O ATOM 1056 ND2 ASN A 62 -8.961 2.307 -10.972 1.00 2.34 N ATOM 0 H ASN A 62 -6.709 -0.669 -7.851 1.00 0.68 H new ATOM 0 HA ASN A 62 -8.841 -1.536 -9.705 1.00 0.79 H new ATOM 0 HB2 ASN A 62 -8.824 0.719 -8.514 1.00 0.89 H new ATOM 0 HB3 ASN A 62 -7.358 1.103 -9.393 1.00 0.89 H new ATOM 0 HD21 ASN A 62 -9.523 2.696 -11.729 1.00 2.34 H new ATOM 0 HD22 ASN A 62 -8.276 2.892 -10.493 1.00 2.34 H new ATOM 1063 N TYR A 63 -5.983 -2.172 -10.486 1.00 0.65 N ATOM 1064 CA TYR A 63 -5.129 -2.711 -11.558 1.00 0.65 C ATOM 1065 C TYR A 63 -5.958 -3.368 -12.692 1.00 0.71 C ATOM 1066 O TYR A 63 -7.044 -3.901 -12.425 1.00 0.76 O ATOM 1067 CB TYR A 63 -4.177 -3.774 -10.974 1.00 0.63 C ATOM 1068 CG TYR A 63 -3.064 -3.347 -10.038 1.00 0.56 C ATOM 1069 CD1 TYR A 63 -2.560 -2.032 -10.027 1.00 1.70 C ATOM 1070 CD2 TYR A 63 -2.551 -4.295 -9.130 1.00 2.13 C ATOM 1071 CE1 TYR A 63 -1.596 -1.647 -9.078 1.00 1.72 C ATOM 1072 CE2 TYR A 63 -1.591 -3.916 -8.176 1.00 2.11 C ATOM 1073 CZ TYR A 63 -1.102 -2.589 -8.150 1.00 0.51 C ATOM 1074 OH TYR A 63 -0.169 -2.208 -7.231 1.00 0.58 O ATOM 0 H TYR A 63 -5.726 -2.507 -9.557 1.00 0.65 H new ATOM 0 HA TYR A 63 -4.572 -1.874 -11.979 1.00 0.65 H new ATOM 0 HB2 TYR A 63 -4.789 -4.503 -10.443 1.00 0.63 H new ATOM 0 HB3 TYR A 63 -3.716 -4.295 -11.813 1.00 0.63 H new ATOM 0 HD1 TYR A 63 -2.916 -1.315 -10.752 1.00 1.70 H new ATOM 0 HD2 TYR A 63 -2.897 -5.317 -9.167 1.00 2.13 H new ATOM 0 HE1 TYR A 63 -1.233 -0.630 -9.059 1.00 1.72 H new ATOM 0 HE2 TYR A 63 -1.226 -4.639 -7.462 1.00 2.11 H new ATOM 0 HH TYR A 63 0.065 -2.974 -6.666 1.00 0.58 H new ATOM 1084 N PRO A 64 -5.453 -3.365 -13.945 1.00 0.70 N ATOM 1085 CA PRO A 64 -6.138 -3.961 -15.086 1.00 0.74 C ATOM 1086 C PRO A 64 -6.351 -5.458 -14.863 1.00 0.70 C ATOM 1087 O PRO A 64 -5.458 -6.155 -14.377 1.00 0.70 O ATOM 1088 CB PRO A 64 -5.278 -3.664 -16.321 1.00 0.82 C ATOM 1089 CG PRO A 64 -3.912 -3.254 -15.767 1.00 0.72 C ATOM 1090 CD PRO A 64 -4.217 -2.730 -14.369 1.00 0.64 C ATOM 0 HA PRO A 64 -7.134 -3.540 -15.224 1.00 0.74 H new ATOM 0 HB2 PRO A 64 -5.196 -4.540 -16.964 1.00 0.82 H new ATOM 0 HB3 PRO A 64 -5.715 -2.867 -16.923 1.00 0.82 H new ATOM 0 HG2 PRO A 64 -3.225 -4.100 -15.734 1.00 0.72 H new ATOM 0 HG3 PRO A 64 -3.445 -2.488 -16.386 1.00 0.72 H new ATOM 0 HD2 PRO A 64 -3.405 -2.966 -13.681 1.00 0.64 H new ATOM 0 HD3 PRO A 64 -4.322 -1.645 -14.377 1.00 0.64 H new ATOM 1098 N GLU A 65 -7.539 -5.959 -15.222 1.00 0.67 N ATOM 1099 CA GLU A 65 -7.952 -7.336 -14.933 1.00 0.65 C ATOM 1100 C GLU A 65 -7.021 -8.381 -15.569 1.00 0.70 C ATOM 1101 O GLU A 65 -6.864 -9.471 -15.029 1.00 0.71 O ATOM 1102 CB GLU A 65 -9.414 -7.544 -15.364 1.00 0.67 C ATOM 1103 CG GLU A 65 -9.594 -7.739 -16.876 1.00 0.74 C ATOM 1104 CD GLU A 65 -11.080 -7.778 -17.264 1.00 0.92 C ATOM 1105 OE1 GLU A 65 -11.763 -8.787 -16.967 1.00 2.31 O ATOM 1106 OE2 GLU A 65 -11.573 -6.803 -17.880 1.00 1.64 O ATOM 0 H GLU A 65 -8.243 -5.418 -15.723 1.00 0.67 H new ATOM 0 HA GLU A 65 -7.876 -7.486 -13.856 1.00 0.65 H new ATOM 0 HB2 GLU A 65 -9.815 -8.414 -14.845 1.00 0.67 H new ATOM 0 HB3 GLU A 65 -10.002 -6.683 -15.046 1.00 0.67 H new ATOM 0 HG2 GLU A 65 -9.098 -6.929 -17.410 1.00 0.74 H new ATOM 0 HG3 GLU A 65 -9.111 -8.666 -17.185 1.00 0.74 H new ATOM 1113 N ALA A 66 -6.357 -8.041 -16.679 1.00 0.76 N ATOM 1114 CA ALA A 66 -5.364 -8.888 -17.333 1.00 0.84 C ATOM 1115 C ALA A 66 -4.110 -9.090 -16.461 1.00 0.83 C ATOM 1116 O ALA A 66 -3.594 -10.205 -16.387 1.00 0.87 O ATOM 1117 CB ALA A 66 -5.029 -8.254 -18.688 1.00 0.92 C ATOM 0 H ALA A 66 -6.501 -7.150 -17.155 1.00 0.76 H new ATOM 0 HA ALA A 66 -5.772 -9.887 -17.484 1.00 0.84 H new ATOM 0 HB1 ALA A 66 -4.288 -8.865 -19.202 1.00 0.92 H new ATOM 0 HB2 ALA A 66 -5.933 -8.193 -19.294 1.00 0.92 H new ATOM 0 HB3 ALA A 66 -4.628 -7.252 -18.532 1.00 0.92 H new ATOM 1123 N TRP A 67 -3.671 -8.052 -15.736 1.00 0.79 N ATOM 1124 CA TRP A 67 -2.577 -8.160 -14.765 1.00 0.80 C ATOM 1125 C TRP A 67 -3.047 -8.852 -13.484 1.00 0.71 C ATOM 1126 O TRP A 67 -2.351 -9.719 -12.963 1.00 0.73 O ATOM 1127 CB TRP A 67 -1.990 -6.777 -14.436 1.00 0.87 C ATOM 1128 CG TRP A 67 -0.899 -6.792 -13.404 1.00 0.99 C ATOM 1129 CD1 TRP A 67 -0.877 -6.040 -12.278 1.00 1.16 C ATOM 1130 CD2 TRP A 67 0.293 -7.646 -13.331 1.00 1.08 C ATOM 1131 NE1 TRP A 67 0.227 -6.365 -11.517 1.00 1.32 N ATOM 1132 CE2 TRP A 67 0.973 -7.359 -12.108 1.00 1.29 C ATOM 1133 CE3 TRP A 67 0.859 -8.655 -14.147 1.00 1.07 C ATOM 1134 CZ2 TRP A 67 2.136 -8.035 -11.714 1.00 1.48 C ATOM 1135 CZ3 TRP A 67 1.988 -9.382 -13.726 1.00 1.28 C ATOM 1136 CH2 TRP A 67 2.635 -9.065 -12.521 1.00 1.48 C ATOM 0 H TRP A 67 -4.065 -7.114 -15.807 1.00 0.79 H new ATOM 0 HA TRP A 67 -1.794 -8.767 -15.219 1.00 0.80 H new ATOM 0 HB2 TRP A 67 -1.599 -6.335 -15.353 1.00 0.87 H new ATOM 0 HB3 TRP A 67 -2.794 -6.129 -14.087 1.00 0.87 H new ATOM 0 HD1 TRP A 67 -1.614 -5.296 -12.015 1.00 1.16 H new ATOM 0 HE1 TRP A 67 0.461 -5.924 -10.628 1.00 1.32 H new ATOM 0 HE3 TRP A 67 0.417 -8.870 -15.109 1.00 1.07 H new ATOM 0 HZ2 TRP A 67 2.641 -7.765 -10.799 1.00 1.48 H new ATOM 0 HZ3 TRP A 67 2.360 -10.192 -14.336 1.00 1.28 H new ATOM 0 HH2 TRP A 67 3.514 -9.614 -12.217 1.00 1.48 H new ATOM 1147 N VAL A 68 -4.243 -8.501 -13.005 1.00 0.64 N ATOM 1148 CA VAL A 68 -4.821 -9.058 -11.769 1.00 0.60 C ATOM 1149 C VAL A 68 -5.083 -10.559 -11.919 1.00 0.64 C ATOM 1150 O VAL A 68 -4.751 -11.330 -11.019 1.00 0.65 O ATOM 1151 CB VAL A 68 -6.111 -8.306 -11.368 1.00 0.57 C ATOM 1152 CG1 VAL A 68 -6.840 -8.903 -10.158 1.00 0.57 C ATOM 1153 CG2 VAL A 68 -5.793 -6.847 -11.017 1.00 0.56 C ATOM 0 H VAL A 68 -4.846 -7.818 -13.464 1.00 0.64 H new ATOM 0 HA VAL A 68 -4.095 -8.921 -10.967 1.00 0.60 H new ATOM 0 HB VAL A 68 -6.761 -8.393 -12.239 1.00 0.57 H new ATOM 0 HG11 VAL A 68 -7.733 -8.315 -9.945 1.00 0.57 H new ATOM 0 HG12 VAL A 68 -7.126 -9.932 -10.377 1.00 0.57 H new ATOM 0 HG13 VAL A 68 -6.180 -8.887 -9.291 1.00 0.57 H new ATOM 0 HG21 VAL A 68 -6.712 -6.332 -10.737 1.00 0.56 H new ATOM 0 HG22 VAL A 68 -5.092 -6.818 -10.183 1.00 0.56 H new ATOM 0 HG23 VAL A 68 -5.349 -6.353 -11.881 1.00 0.56 H new ATOM 1163 N SER A 69 -5.609 -10.989 -13.071 1.00 0.69 N ATOM 1164 CA SER A 69 -5.782 -12.412 -13.372 1.00 0.75 C ATOM 1165 C SER A 69 -4.432 -13.118 -13.507 1.00 0.80 C ATOM 1166 O SER A 69 -4.225 -14.134 -12.854 1.00 0.84 O ATOM 1167 CB SER A 69 -6.604 -12.613 -14.652 1.00 0.80 C ATOM 1168 OG SER A 69 -7.027 -13.964 -14.781 1.00 0.87 O ATOM 0 H SER A 69 -5.924 -10.366 -13.814 1.00 0.69 H new ATOM 0 HA SER A 69 -6.324 -12.854 -12.536 1.00 0.75 H new ATOM 0 HB2 SER A 69 -7.474 -11.956 -14.636 1.00 0.80 H new ATOM 0 HB3 SER A 69 -6.007 -12.331 -15.519 1.00 0.80 H new ATOM 0 HG SER A 69 -7.550 -14.066 -15.603 1.00 0.87 H new ATOM 1174 N TYR A 70 -3.477 -12.576 -14.273 1.00 0.82 N ATOM 1175 CA TYR A 70 -2.173 -13.213 -14.496 1.00 0.90 C ATOM 1176 C TYR A 70 -1.389 -13.395 -13.186 1.00 0.84 C ATOM 1177 O TYR A 70 -0.834 -14.465 -12.921 1.00 0.89 O ATOM 1178 CB TYR A 70 -1.401 -12.354 -15.508 1.00 0.95 C ATOM 1179 CG TYR A 70 -0.014 -12.805 -15.926 1.00 0.99 C ATOM 1180 CD1 TYR A 70 0.407 -14.145 -15.813 1.00 2.28 C ATOM 1181 CD2 TYR A 70 0.846 -11.857 -16.510 1.00 1.49 C ATOM 1182 CE1 TYR A 70 1.676 -14.534 -16.281 1.00 2.30 C ATOM 1183 CE2 TYR A 70 2.116 -12.237 -16.980 1.00 1.58 C ATOM 1184 CZ TYR A 70 2.539 -13.580 -16.863 1.00 1.14 C ATOM 1185 OH TYR A 70 3.767 -13.963 -17.313 1.00 1.27 O ATOM 0 H TYR A 70 -3.586 -11.684 -14.755 1.00 0.82 H new ATOM 0 HA TYR A 70 -2.316 -14.218 -14.892 1.00 0.90 H new ATOM 0 HB2 TYR A 70 -2.010 -12.274 -16.409 1.00 0.95 H new ATOM 0 HB3 TYR A 70 -1.313 -11.350 -15.093 1.00 0.95 H new ATOM 0 HD1 TYR A 70 -0.248 -14.878 -15.365 1.00 2.28 H new ATOM 0 HD2 TYR A 70 0.528 -10.829 -16.598 1.00 1.49 H new ATOM 0 HE1 TYR A 70 1.990 -15.564 -16.195 1.00 2.30 H new ATOM 0 HE2 TYR A 70 2.768 -11.503 -17.430 1.00 1.58 H new ATOM 0 HH TYR A 70 4.235 -13.187 -17.686 1.00 1.27 H new ATOM 1195 N TYR A 71 -1.410 -12.377 -12.324 1.00 0.74 N ATOM 1196 CA TYR A 71 -0.749 -12.406 -11.025 1.00 0.68 C ATOM 1197 C TYR A 71 -1.352 -13.482 -10.099 1.00 0.68 C ATOM 1198 O TYR A 71 -0.617 -14.192 -9.413 1.00 0.71 O ATOM 1199 CB TYR A 71 -0.814 -10.995 -10.416 1.00 0.66 C ATOM 1200 CG TYR A 71 -0.143 -10.836 -9.064 1.00 0.93 C ATOM 1201 CD1 TYR A 71 -0.797 -11.290 -7.904 1.00 1.51 C ATOM 1202 CD2 TYR A 71 1.121 -10.220 -8.954 1.00 2.31 C ATOM 1203 CE1 TYR A 71 -0.195 -11.129 -6.647 1.00 1.73 C ATOM 1204 CE2 TYR A 71 1.721 -10.041 -7.692 1.00 2.74 C ATOM 1205 CZ TYR A 71 1.058 -10.495 -6.531 1.00 1.94 C ATOM 1206 OH TYR A 71 1.594 -10.317 -5.295 1.00 2.48 O ATOM 0 H TYR A 71 -1.894 -11.499 -12.514 1.00 0.74 H new ATOM 0 HA TYR A 71 0.296 -12.688 -11.149 1.00 0.68 H new ATOM 0 HB2 TYR A 71 -0.355 -10.295 -11.114 1.00 0.66 H new ATOM 0 HB3 TYR A 71 -1.861 -10.708 -10.319 1.00 0.66 H new ATOM 0 HD1 TYR A 71 -1.765 -11.763 -7.981 1.00 1.51 H new ATOM 0 HD2 TYR A 71 1.633 -9.883 -9.844 1.00 2.31 H new ATOM 0 HE1 TYR A 71 -0.695 -11.494 -5.762 1.00 1.73 H new ATOM 0 HE2 TYR A 71 2.684 -9.559 -7.613 1.00 2.74 H new ATOM 0 HH TYR A 71 2.352 -9.699 -5.353 1.00 2.48 H new ATOM 1216 N GLN A 72 -2.678 -13.648 -10.104 1.00 0.69 N ATOM 1217 CA GLN A 72 -3.368 -14.708 -9.359 1.00 0.76 C ATOM 1218 C GLN A 72 -3.165 -16.096 -9.986 1.00 0.87 C ATOM 1219 O GLN A 72 -2.932 -17.063 -9.263 1.00 0.94 O ATOM 1220 CB GLN A 72 -4.870 -14.368 -9.282 1.00 0.77 C ATOM 1221 CG GLN A 72 -5.232 -13.454 -8.099 1.00 0.78 C ATOM 1222 CD GLN A 72 -5.714 -14.255 -6.884 1.00 2.01 C ATOM 1223 OE1 GLN A 72 -6.899 -14.311 -6.578 1.00 1.81 O ATOM 1224 NE2 GLN A 72 -4.844 -14.931 -6.158 1.00 4.02 N ATOM 0 H GLN A 72 -3.310 -13.045 -10.630 1.00 0.69 H new ATOM 0 HA GLN A 72 -2.938 -14.753 -8.358 1.00 0.76 H new ATOM 0 HB2 GLN A 72 -5.173 -13.884 -10.211 1.00 0.77 H new ATOM 0 HB3 GLN A 72 -5.440 -15.294 -9.204 1.00 0.77 H new ATOM 0 HG2 GLN A 72 -4.362 -12.860 -7.820 1.00 0.78 H new ATOM 0 HG3 GLN A 72 -6.010 -12.755 -8.405 1.00 0.78 H new ATOM 0 HE21 GLN A 72 -3.852 -14.901 -6.392 1.00 4.02 H new ATOM 0 HE22 GLN A 72 -5.164 -15.484 -5.363 1.00 4.02 H new ATOM 1233 N ALA A 73 -3.235 -16.204 -11.314 1.00 0.92 N ATOM 1234 CA ALA A 73 -3.281 -17.463 -12.060 1.00 1.05 C ATOM 1235 C ALA A 73 -1.987 -18.285 -11.942 1.00 1.16 C ATOM 1236 O ALA A 73 -2.045 -19.514 -11.873 1.00 1.25 O ATOM 1237 CB ALA A 73 -3.596 -17.123 -13.525 1.00 1.09 C ATOM 0 H ALA A 73 -3.262 -15.386 -11.923 1.00 0.92 H new ATOM 0 HA ALA A 73 -4.057 -18.098 -11.633 1.00 1.05 H new ATOM 0 HB1 ALA A 73 -3.638 -18.041 -14.111 1.00 1.09 H new ATOM 0 HB2 ALA A 73 -4.557 -16.613 -13.581 1.00 1.09 H new ATOM 0 HB3 ALA A 73 -2.817 -16.474 -13.923 1.00 1.09 H new ATOM 1243 N LYS A 74 -0.828 -17.619 -11.897 1.00 1.19 N ATOM 1244 CA LYS A 74 0.479 -18.253 -11.641 1.00 1.34 C ATOM 1245 C LYS A 74 0.948 -18.101 -10.179 1.00 1.21 C ATOM 1246 O LYS A 74 2.049 -18.535 -9.836 1.00 1.27 O ATOM 1247 CB LYS A 74 1.533 -17.699 -12.617 1.00 1.49 C ATOM 1248 CG LYS A 74 1.135 -17.616 -14.084 1.00 1.40 C ATOM 1249 CD LYS A 74 0.628 -18.936 -14.662 1.00 2.05 C ATOM 1250 CE LYS A 74 0.522 -18.681 -16.157 1.00 2.58 C ATOM 1251 NZ LYS A 74 -0.115 -19.811 -16.883 1.00 3.34 N ATOM 0 H LYS A 74 -0.766 -16.611 -12.039 1.00 1.19 H new ATOM 0 HA LYS A 74 0.356 -19.323 -11.810 1.00 1.34 H new ATOM 0 HB2 LYS A 74 1.812 -16.699 -12.284 1.00 1.49 H new ATOM 0 HB3 LYS A 74 2.425 -18.321 -12.542 1.00 1.49 H new ATOM 0 HG2 LYS A 74 0.359 -16.859 -14.198 1.00 1.40 H new ATOM 0 HG3 LYS A 74 1.994 -17.282 -14.665 1.00 1.40 H new ATOM 0 HD2 LYS A 74 1.316 -19.754 -14.447 1.00 2.05 H new ATOM 0 HD3 LYS A 74 -0.337 -19.211 -14.237 1.00 2.05 H new ATOM 0 HE2 LYS A 74 -0.055 -17.772 -16.327 1.00 2.58 H new ATOM 0 HE3 LYS A 74 1.518 -18.507 -16.564 1.00 2.58 H new ATOM 0 HZ1 LYS A 74 -0.164 -19.588 -17.898 1.00 3.34 H new ATOM 0 HZ2 LYS A 74 0.448 -20.674 -16.745 1.00 3.34 H new ATOM 0 HZ3 LYS A 74 -1.076 -19.962 -16.515 1.00 3.34 H new ATOM 1265 N ASN A 75 0.137 -17.462 -9.325 1.00 1.05 N ATOM 1266 CA ASN A 75 0.395 -17.234 -7.898 1.00 0.94 C ATOM 1267 C ASN A 75 1.684 -16.412 -7.657 1.00 0.74 C ATOM 1268 O ASN A 75 2.557 -16.803 -6.879 1.00 0.71 O ATOM 1269 CB ASN A 75 0.363 -18.560 -7.113 1.00 1.20 C ATOM 1270 CG ASN A 75 -0.907 -19.372 -7.360 1.00 1.43 C ATOM 1271 OD1 ASN A 75 -0.930 -20.290 -8.172 1.00 1.78 O ATOM 1272 ND2 ASN A 75 -1.994 -19.062 -6.675 1.00 2.18 N ATOM 0 H ASN A 75 -0.757 -17.073 -9.624 1.00 1.05 H new ATOM 0 HA ASN A 75 -0.415 -16.618 -7.507 1.00 0.94 H new ATOM 0 HB2 ASN A 75 1.230 -19.160 -7.389 1.00 1.20 H new ATOM 0 HB3 ASN A 75 0.449 -18.347 -6.048 1.00 1.20 H new ATOM 0 HD21 ASN A 75 -2.856 -19.587 -6.821 1.00 2.18 H new ATOM 0 HD22 ASN A 75 -1.971 -18.297 -6.000 1.00 2.18 H new ATOM 1279 N PHE A 76 1.801 -15.249 -8.314 1.00 0.65 N ATOM 1280 CA PHE A 76 2.949 -14.336 -8.201 1.00 0.57 C ATOM 1281 C PHE A 76 3.166 -13.800 -6.773 1.00 0.54 C ATOM 1282 O PHE A 76 4.263 -13.329 -6.477 1.00 0.56 O ATOM 1283 CB PHE A 76 2.796 -13.185 -9.204 1.00 0.56 C ATOM 1284 CG PHE A 76 3.329 -13.474 -10.595 1.00 0.63 C ATOM 1285 CD1 PHE A 76 2.517 -14.088 -11.566 1.00 1.74 C ATOM 1286 CD2 PHE A 76 4.640 -13.089 -10.933 1.00 1.50 C ATOM 1287 CE1 PHE A 76 2.995 -14.263 -12.876 1.00 1.83 C ATOM 1288 CE2 PHE A 76 5.121 -13.267 -12.244 1.00 1.47 C ATOM 1289 CZ PHE A 76 4.292 -13.845 -13.220 1.00 0.80 C ATOM 0 H PHE A 76 1.083 -14.909 -8.954 1.00 0.65 H new ATOM 0 HA PHE A 76 3.843 -14.913 -8.438 1.00 0.57 H new ATOM 0 HB2 PHE A 76 1.740 -12.928 -9.282 1.00 0.56 H new ATOM 0 HB3 PHE A 76 3.309 -12.308 -8.809 1.00 0.56 H new ATOM 0 HD1 PHE A 76 1.525 -14.425 -11.304 1.00 1.74 H new ATOM 0 HD2 PHE A 76 5.282 -12.654 -10.181 1.00 1.50 H new ATOM 0 HE1 PHE A 76 2.362 -14.721 -13.622 1.00 1.83 H new ATOM 0 HE2 PHE A 76 6.125 -12.960 -12.499 1.00 1.47 H new ATOM 0 HZ PHE A 76 4.650 -13.968 -14.231 1.00 0.80 H new ATOM 1299 N LEU A 77 2.196 -13.966 -5.855 1.00 0.57 N ATOM 1300 CA LEU A 77 2.407 -13.768 -4.414 1.00 0.64 C ATOM 1301 C LEU A 77 3.636 -14.534 -3.877 1.00 0.69 C ATOM 1302 O LEU A 77 4.256 -14.093 -2.910 1.00 0.83 O ATOM 1303 CB LEU A 77 1.162 -14.185 -3.596 1.00 0.80 C ATOM 1304 CG LEU A 77 -0.070 -13.259 -3.693 1.00 0.73 C ATOM 1305 CD1 LEU A 77 -1.122 -13.781 -4.685 1.00 1.36 C ATOM 1306 CD2 LEU A 77 -0.769 -13.106 -2.335 1.00 1.18 C ATOM 0 H LEU A 77 1.244 -14.242 -6.095 1.00 0.57 H new ATOM 0 HA LEU A 77 2.588 -12.700 -4.291 1.00 0.64 H new ATOM 0 HB2 LEU A 77 0.864 -15.184 -3.915 1.00 0.80 H new ATOM 0 HB3 LEU A 77 1.452 -14.258 -2.548 1.00 0.80 H new ATOM 0 HG LEU A 77 0.320 -12.301 -4.038 1.00 0.73 H new ATOM 0 HD11 LEU A 77 -1.967 -13.093 -4.715 1.00 1.36 H new ATOM 0 HD12 LEU A 77 -0.680 -13.856 -5.678 1.00 1.36 H new ATOM 0 HD13 LEU A 77 -1.466 -14.765 -4.366 1.00 1.36 H new ATOM 0 HD21 LEU A 77 -1.631 -12.448 -2.442 1.00 1.18 H new ATOM 0 HD22 LEU A 77 -1.100 -14.083 -1.984 1.00 1.18 H new ATOM 0 HD23 LEU A 77 -0.073 -12.678 -1.614 1.00 1.18 H new ATOM 1318 N ALA A 78 4.016 -15.654 -4.507 1.00 0.64 N ATOM 1319 CA ALA A 78 5.178 -16.458 -4.135 1.00 0.66 C ATOM 1320 C ALA A 78 6.530 -15.785 -4.448 1.00 0.63 C ATOM 1321 O ALA A 78 7.535 -16.139 -3.828 1.00 0.67 O ATOM 1322 CB ALA A 78 5.058 -17.801 -4.867 1.00 0.68 C ATOM 0 H ALA A 78 3.509 -16.031 -5.308 1.00 0.64 H new ATOM 0 HA ALA A 78 5.174 -16.587 -3.053 1.00 0.66 H new ATOM 0 HB1 ALA A 78 5.911 -18.431 -4.614 1.00 0.68 H new ATOM 0 HB2 ALA A 78 4.137 -18.299 -4.565 1.00 0.68 H new ATOM 0 HB3 ALA A 78 5.041 -17.629 -5.943 1.00 0.68 H new ATOM 1328 N ILE A 79 6.575 -14.840 -5.399 1.00 0.59 N ATOM 1329 CA ILE A 79 7.821 -14.195 -5.870 1.00 0.59 C ATOM 1330 C ILE A 79 7.858 -12.681 -5.602 1.00 0.59 C ATOM 1331 O ILE A 79 8.905 -12.053 -5.746 1.00 0.60 O ATOM 1332 CB ILE A 79 8.120 -14.568 -7.350 1.00 0.56 C ATOM 1333 CG1 ILE A 79 7.288 -13.851 -8.440 1.00 0.54 C ATOM 1334 CG2 ILE A 79 7.958 -16.088 -7.557 1.00 0.56 C ATOM 1335 CD1 ILE A 79 7.924 -12.548 -8.939 1.00 0.55 C ATOM 0 H ILE A 79 5.740 -14.494 -5.872 1.00 0.59 H new ATOM 0 HA ILE A 79 8.637 -14.598 -5.271 1.00 0.59 H new ATOM 0 HB ILE A 79 9.144 -14.222 -7.489 1.00 0.56 H new ATOM 0 HG12 ILE A 79 7.152 -14.526 -9.285 1.00 0.54 H new ATOM 0 HG13 ILE A 79 6.296 -13.633 -8.044 1.00 0.54 H new ATOM 0 HG21 ILE A 79 8.170 -16.338 -8.597 1.00 0.56 H new ATOM 0 HG22 ILE A 79 8.653 -16.620 -6.907 1.00 0.56 H new ATOM 0 HG23 ILE A 79 6.937 -16.382 -7.314 1.00 0.56 H new ATOM 0 HD11 ILE A 79 7.286 -12.100 -9.701 1.00 0.55 H new ATOM 0 HD12 ILE A 79 8.035 -11.855 -8.105 1.00 0.55 H new ATOM 0 HD13 ILE A 79 8.904 -12.762 -9.366 1.00 0.55 H new ATOM 1347 N ASP A 80 6.738 -12.094 -5.174 1.00 0.63 N ATOM 1348 CA ASP A 80 6.574 -10.667 -4.901 1.00 0.61 C ATOM 1349 C ASP A 80 7.131 -10.268 -3.510 1.00 0.58 C ATOM 1350 O ASP A 80 6.655 -10.791 -2.495 1.00 0.61 O ATOM 1351 CB ASP A 80 5.077 -10.336 -5.015 1.00 0.68 C ATOM 1352 CG ASP A 80 4.750 -8.853 -4.804 1.00 1.00 C ATOM 1353 OD1 ASP A 80 5.673 -8.060 -4.514 1.00 2.18 O ATOM 1354 OD2 ASP A 80 3.555 -8.504 -4.927 1.00 1.66 O ATOM 0 H ASP A 80 5.884 -12.625 -5.001 1.00 0.63 H new ATOM 0 HA ASP A 80 7.148 -10.092 -5.628 1.00 0.61 H new ATOM 0 HB2 ASP A 80 4.722 -10.640 -6.000 1.00 0.68 H new ATOM 0 HB3 ASP A 80 4.528 -10.927 -4.282 1.00 0.68 H new ATOM 1359 N PRO A 81 8.084 -9.314 -3.426 1.00 0.61 N ATOM 1360 CA PRO A 81 8.608 -8.819 -2.160 1.00 0.63 C ATOM 1361 C PRO A 81 7.732 -7.751 -1.478 1.00 0.70 C ATOM 1362 O PRO A 81 7.925 -7.543 -0.283 1.00 0.76 O ATOM 1363 CB PRO A 81 9.994 -8.268 -2.499 1.00 0.71 C ATOM 1364 CG PRO A 81 9.818 -7.747 -3.923 1.00 0.78 C ATOM 1365 CD PRO A 81 8.831 -8.735 -4.537 1.00 0.76 C ATOM 0 HA PRO A 81 8.633 -9.626 -1.428 1.00 0.63 H new ATOM 0 HB2 PRO A 81 10.292 -7.475 -1.813 1.00 0.71 H new ATOM 0 HB3 PRO A 81 10.760 -9.041 -2.444 1.00 0.71 H new ATOM 0 HG2 PRO A 81 9.428 -6.729 -3.934 1.00 0.78 H new ATOM 0 HG3 PRO A 81 10.763 -7.732 -4.466 1.00 0.78 H new ATOM 0 HD2 PRO A 81 8.162 -8.232 -5.235 1.00 0.76 H new ATOM 0 HD3 PRO A 81 9.354 -9.509 -5.098 1.00 0.76 H new ATOM 1373 N VAL A 82 6.772 -7.090 -2.153 1.00 0.73 N ATOM 1374 CA VAL A 82 5.947 -6.020 -1.544 1.00 0.80 C ATOM 1375 C VAL A 82 4.795 -6.545 -0.661 1.00 0.84 C ATOM 1376 O VAL A 82 3.969 -5.764 -0.187 1.00 1.12 O ATOM 1377 CB VAL A 82 5.465 -4.947 -2.555 1.00 1.10 C ATOM 1378 CG1 VAL A 82 6.664 -4.216 -3.177 1.00 2.66 C ATOM 1379 CG2 VAL A 82 4.528 -5.412 -3.672 1.00 1.57 C ATOM 0 H VAL A 82 6.545 -7.278 -3.129 1.00 0.73 H new ATOM 0 HA VAL A 82 6.635 -5.511 -0.869 1.00 0.80 H new ATOM 0 HB VAL A 82 4.855 -4.285 -1.940 1.00 1.10 H new ATOM 0 HG11 VAL A 82 6.307 -3.467 -3.884 1.00 2.66 H new ATOM 0 HG12 VAL A 82 7.240 -3.728 -2.391 1.00 2.66 H new ATOM 0 HG13 VAL A 82 7.297 -4.934 -3.698 1.00 2.66 H new ATOM 0 HG21 VAL A 82 4.269 -4.564 -4.306 1.00 1.57 H new ATOM 0 HG22 VAL A 82 5.026 -6.174 -4.271 1.00 1.57 H new ATOM 0 HG23 VAL A 82 3.621 -5.830 -3.236 1.00 1.57 H new ATOM 1389 N LEU A 83 4.751 -7.860 -0.410 1.00 0.77 N ATOM 1390 CA LEU A 83 3.972 -8.487 0.671 1.00 0.83 C ATOM 1391 C LEU A 83 4.820 -9.257 1.702 1.00 0.83 C ATOM 1392 O LEU A 83 4.287 -9.693 2.721 1.00 0.95 O ATOM 1393 CB LEU A 83 2.867 -9.350 0.038 1.00 0.81 C ATOM 1394 CG LEU A 83 3.353 -10.605 -0.724 1.00 0.67 C ATOM 1395 CD1 LEU A 83 3.385 -11.861 0.164 1.00 0.76 C ATOM 1396 CD2 LEU A 83 2.412 -10.857 -1.901 1.00 0.94 C ATOM 0 H LEU A 83 5.270 -8.538 -0.968 1.00 0.77 H new ATOM 0 HA LEU A 83 3.521 -7.693 1.267 1.00 0.83 H new ATOM 0 HB2 LEU A 83 2.183 -9.667 0.825 1.00 0.81 H new ATOM 0 HB3 LEU A 83 2.295 -8.728 -0.650 1.00 0.81 H new ATOM 0 HG LEU A 83 4.372 -10.415 -1.060 1.00 0.67 H new ATOM 0 HD11 LEU A 83 3.733 -12.712 -0.422 1.00 0.76 H new ATOM 0 HD12 LEU A 83 4.061 -11.696 1.003 1.00 0.76 H new ATOM 0 HD13 LEU A 83 2.383 -12.066 0.541 1.00 0.76 H new ATOM 0 HD21 LEU A 83 2.742 -11.740 -2.448 1.00 0.94 H new ATOM 0 HD22 LEU A 83 1.400 -11.018 -1.530 1.00 0.94 H new ATOM 0 HD23 LEU A 83 2.421 -9.993 -2.566 1.00 0.94 H new ATOM 1408 N ASN A 84 6.119 -9.467 1.456 1.00 0.78 N ATOM 1409 CA ASN A 84 6.978 -10.296 2.308 1.00 0.75 C ATOM 1410 C ASN A 84 7.722 -9.449 3.361 1.00 0.71 C ATOM 1411 O ASN A 84 8.684 -8.775 2.979 1.00 0.72 O ATOM 1412 CB ASN A 84 7.981 -11.054 1.420 1.00 0.78 C ATOM 1413 CG ASN A 84 8.877 -12.010 2.215 1.00 1.37 C ATOM 1414 OD1 ASN A 84 8.794 -12.124 3.433 1.00 2.26 O ATOM 1415 ND2 ASN A 84 9.778 -12.710 1.553 1.00 1.55 N ATOM 0 H ASN A 84 6.606 -9.064 0.655 1.00 0.78 H new ATOM 0 HA ASN A 84 6.353 -11.005 2.850 1.00 0.75 H new ATOM 0 HB2 ASN A 84 7.435 -11.619 0.665 1.00 0.78 H new ATOM 0 HB3 ASN A 84 8.606 -10.335 0.890 1.00 0.78 H new ATOM 0 HD21 ASN A 84 10.402 -13.343 2.054 1.00 1.55 H new ATOM 0 HD22 ASN A 84 9.851 -12.619 0.540 1.00 1.55 H new ATOM 1422 N PRO A 85 7.371 -9.515 4.667 1.00 0.74 N ATOM 1423 CA PRO A 85 7.957 -8.667 5.711 1.00 0.76 C ATOM 1424 C PRO A 85 9.474 -8.848 5.880 1.00 0.75 C ATOM 1425 O PRO A 85 10.133 -7.946 6.393 1.00 0.84 O ATOM 1426 CB PRO A 85 7.203 -9.012 7.000 1.00 0.82 C ATOM 1427 CG PRO A 85 6.719 -10.439 6.761 1.00 0.83 C ATOM 1428 CD PRO A 85 6.407 -10.430 5.266 1.00 0.83 C ATOM 0 HA PRO A 85 7.848 -7.617 5.438 1.00 0.76 H new ATOM 0 HB2 PRO A 85 7.852 -8.950 7.873 1.00 0.82 H new ATOM 0 HB3 PRO A 85 6.371 -8.330 7.172 1.00 0.82 H new ATOM 0 HG2 PRO A 85 7.483 -11.175 7.013 1.00 0.83 H new ATOM 0 HG3 PRO A 85 5.839 -10.676 7.359 1.00 0.83 H new ATOM 0 HD2 PRO A 85 6.499 -11.429 4.841 1.00 0.83 H new ATOM 0 HD3 PRO A 85 5.385 -10.098 5.081 1.00 0.83 H new ATOM 1436 N GLU A 86 10.041 -9.971 5.418 1.00 0.75 N ATOM 1437 CA GLU A 86 11.477 -10.261 5.477 1.00 0.88 C ATOM 1438 C GLU A 86 12.335 -9.275 4.652 1.00 0.87 C ATOM 1439 O GLU A 86 13.512 -9.080 4.967 1.00 1.03 O ATOM 1440 CB GLU A 86 11.683 -11.712 5.008 1.00 1.03 C ATOM 1441 CG GLU A 86 13.018 -12.321 5.454 1.00 2.28 C ATOM 1442 CD GLU A 86 13.100 -13.805 5.064 1.00 2.96 C ATOM 1443 OE1 GLU A 86 12.471 -14.651 5.745 1.00 2.71 O ATOM 1444 OE2 GLU A 86 13.802 -14.141 4.080 1.00 4.54 O ATOM 0 H GLU A 86 9.500 -10.719 4.983 1.00 0.75 H new ATOM 0 HA GLU A 86 11.817 -10.136 6.505 1.00 0.88 H new ATOM 0 HB2 GLU A 86 10.868 -12.327 5.390 1.00 1.03 H new ATOM 0 HB3 GLU A 86 11.624 -11.745 3.920 1.00 1.03 H new ATOM 0 HG2 GLU A 86 13.843 -11.774 4.997 1.00 2.28 H new ATOM 0 HG3 GLU A 86 13.127 -12.218 6.534 1.00 2.28 H new ATOM 1451 N ASN A 87 11.766 -8.627 3.622 1.00 0.73 N ATOM 1452 CA ASN A 87 12.477 -7.672 2.755 1.00 0.74 C ATOM 1453 C ASN A 87 12.280 -6.188 3.151 1.00 0.71 C ATOM 1454 O ASN A 87 12.976 -5.318 2.624 1.00 0.76 O ATOM 1455 CB ASN A 87 12.069 -7.935 1.294 1.00 0.96 C ATOM 1456 CG ASN A 87 13.083 -7.357 0.307 1.00 1.42 C ATOM 1457 OD1 ASN A 87 12.778 -6.253 -0.351 1.00 2.62 O flip ATOM 1458 ND2 ASN A 87 14.168 -7.896 0.120 1.00 2.28 N flip ATOM 0 H ASN A 87 10.787 -8.753 3.365 1.00 0.73 H new ATOM 0 HA ASN A 87 13.546 -7.842 2.883 1.00 0.74 H new ATOM 0 HB2 ASN A 87 11.975 -9.009 1.131 1.00 0.96 H new ATOM 0 HB3 ASN A 87 11.089 -7.497 1.106 1.00 0.96 H new ATOM 0 HD21 ASN A 87 14.408 -8.749 0.626 1.00 2.28 H new ATOM 0 HD22 ASN A 87 14.831 -7.492 -0.541 1.00 2.28 H new ATOM 1465 N PHE A 88 11.355 -5.870 4.072 1.00 0.70 N ATOM 1466 CA PHE A 88 11.076 -4.499 4.533 1.00 0.76 C ATOM 1467 C PHE A 88 12.122 -4.061 5.578 1.00 0.89 C ATOM 1468 O PHE A 88 11.816 -3.848 6.751 1.00 0.97 O ATOM 1469 CB PHE A 88 9.638 -4.386 5.082 1.00 0.72 C ATOM 1470 CG PHE A 88 8.540 -4.498 4.044 1.00 0.61 C ATOM 1471 CD1 PHE A 88 8.218 -5.752 3.508 1.00 2.00 C ATOM 1472 CD2 PHE A 88 7.867 -3.356 3.581 1.00 1.86 C ATOM 1473 CE1 PHE A 88 7.219 -5.886 2.529 1.00 2.03 C ATOM 1474 CE2 PHE A 88 6.851 -3.483 2.616 1.00 1.81 C ATOM 1475 CZ PHE A 88 6.527 -4.745 2.091 1.00 0.50 C ATOM 0 H PHE A 88 10.769 -6.571 4.525 1.00 0.70 H new ATOM 0 HA PHE A 88 11.152 -3.822 3.682 1.00 0.76 H new ATOM 0 HB2 PHE A 88 9.490 -5.165 5.830 1.00 0.72 H new ATOM 0 HB3 PHE A 88 9.536 -3.429 5.594 1.00 0.72 H new ATOM 0 HD1 PHE A 88 8.746 -6.629 3.853 1.00 2.00 H new ATOM 0 HD2 PHE A 88 8.129 -2.381 3.965 1.00 1.86 H new ATOM 0 HE1 PHE A 88 6.986 -6.857 2.117 1.00 2.03 H new ATOM 0 HE2 PHE A 88 6.318 -2.607 2.278 1.00 1.81 H new ATOM 0 HZ PHE A 88 5.746 -4.838 1.351 1.00 0.50 H new ATOM 1485 N SER A 89 13.381 -3.951 5.164 1.00 0.94 N ATOM 1486 CA SER A 89 14.543 -3.924 6.075 1.00 1.04 C ATOM 1487 C SER A 89 14.680 -2.625 6.896 1.00 1.10 C ATOM 1488 O SER A 89 15.378 -2.603 7.912 1.00 1.23 O ATOM 1489 CB SER A 89 15.823 -4.158 5.261 1.00 1.09 C ATOM 1490 OG SER A 89 15.746 -5.381 4.535 1.00 1.07 O ATOM 0 H SER A 89 13.636 -3.877 4.179 1.00 0.94 H new ATOM 0 HA SER A 89 14.382 -4.719 6.803 1.00 1.04 H new ATOM 0 HB2 SER A 89 15.976 -3.329 4.570 1.00 1.09 H new ATOM 0 HB3 SER A 89 16.685 -4.180 5.928 1.00 1.09 H new ATOM 0 HG SER A 89 16.571 -5.509 4.022 1.00 1.07 H new ATOM 1496 N GLN A 90 13.989 -1.555 6.488 1.00 1.03 N ATOM 1497 CA GLN A 90 13.835 -0.300 7.239 1.00 1.09 C ATOM 1498 C GLN A 90 12.342 0.065 7.422 1.00 0.99 C ATOM 1499 O GLN A 90 11.994 1.237 7.571 1.00 1.01 O ATOM 1500 CB GLN A 90 14.625 0.822 6.532 1.00 1.18 C ATOM 1501 CG GLN A 90 16.135 0.529 6.460 1.00 1.37 C ATOM 1502 CD GLN A 90 16.944 1.717 5.929 1.00 2.42 C ATOM 1503 OE1 GLN A 90 16.569 2.404 4.986 1.00 3.78 O ATOM 1504 NE2 GLN A 90 18.090 2.013 6.512 1.00 2.68 N ATOM 0 H GLN A 90 13.502 -1.537 5.592 1.00 1.03 H new ATOM 0 HA GLN A 90 14.245 -0.429 8.241 1.00 1.09 H new ATOM 0 HB2 GLN A 90 14.236 0.954 5.522 1.00 1.18 H new ATOM 0 HB3 GLN A 90 14.466 1.762 7.061 1.00 1.18 H new ATOM 0 HG2 GLN A 90 16.497 0.263 7.453 1.00 1.37 H new ATOM 0 HG3 GLN A 90 16.303 -0.336 5.818 1.00 1.37 H new ATOM 0 HE21 GLN A 90 18.421 1.455 7.299 1.00 2.68 H new ATOM 0 HE22 GLN A 90 18.645 2.800 6.176 1.00 2.68 H new ATOM 1513 N GLY A 91 11.441 -0.928 7.361 1.00 0.91 N ATOM 1514 CA GLY A 91 9.984 -0.735 7.388 1.00 0.89 C ATOM 1515 C GLY A 91 9.400 -0.269 6.049 1.00 0.82 C ATOM 1516 O GLY A 91 8.253 0.164 6.004 1.00 0.86 O ATOM 0 H GLY A 91 11.712 -1.909 7.290 1.00 0.91 H new ATOM 0 HA2 GLY A 91 9.507 -1.672 7.676 1.00 0.89 H new ATOM 0 HA3 GLY A 91 9.737 -0.003 8.157 1.00 0.89 H new ATOM 1520 N HIS A 92 10.161 -0.364 4.956 1.00 0.77 N ATOM 1521 CA HIS A 92 9.826 0.196 3.644 1.00 0.78 C ATOM 1522 C HIS A 92 10.250 -0.742 2.497 1.00 0.74 C ATOM 1523 O HIS A 92 11.223 -1.491 2.630 1.00 0.80 O ATOM 1524 CB HIS A 92 10.519 1.567 3.510 1.00 1.04 C ATOM 1525 CG HIS A 92 10.177 2.305 2.237 1.00 1.00 C ATOM 1526 ND1 HIS A 92 8.927 2.754 1.885 1.00 0.82 N ATOM 1527 CD2 HIS A 92 11.013 2.593 1.186 1.00 1.18 C ATOM 1528 CE1 HIS A 92 9.003 3.278 0.653 1.00 0.87 C ATOM 1529 NE2 HIS A 92 10.262 3.226 0.192 1.00 1.09 N ATOM 0 H HIS A 92 11.058 -0.849 4.960 1.00 0.77 H new ATOM 0 HA HIS A 92 8.745 0.311 3.571 1.00 0.78 H new ATOM 0 HB2 HIS A 92 10.243 2.187 4.363 1.00 1.04 H new ATOM 0 HB3 HIS A 92 11.599 1.423 3.556 1.00 1.04 H new ATOM 0 HD1 HIS A 92 8.087 2.698 2.461 1.00 0.82 H new ATOM 0 HD2 HIS A 92 12.068 2.369 1.136 1.00 1.18 H new ATOM 0 HE1 HIS A 92 8.165 3.686 0.107 1.00 0.87 H new ATOM 1537 N LEU A 93 9.547 -0.657 1.360 1.00 0.73 N ATOM 1538 CA LEU A 93 9.872 -1.314 0.090 1.00 0.78 C ATOM 1539 C LEU A 93 9.810 -0.276 -1.037 1.00 0.68 C ATOM 1540 O LEU A 93 8.896 0.550 -1.075 1.00 0.61 O ATOM 1541 CB LEU A 93 8.863 -2.451 -0.188 1.00 0.83 C ATOM 1542 CG LEU A 93 9.429 -3.881 -0.248 1.00 0.83 C ATOM 1543 CD1 LEU A 93 10.299 -4.103 -1.485 1.00 1.75 C ATOM 1544 CD2 LEU A 93 10.253 -4.257 0.982 1.00 1.91 C ATOM 0 H LEU A 93 8.694 -0.100 1.299 1.00 0.73 H new ATOM 0 HA LEU A 93 10.874 -1.740 0.143 1.00 0.78 H new ATOM 0 HB2 LEU A 93 8.096 -2.421 0.586 1.00 0.83 H new ATOM 0 HB3 LEU A 93 8.368 -2.242 -1.136 1.00 0.83 H new ATOM 0 HG LEU A 93 8.547 -4.521 -0.290 1.00 0.83 H new ATOM 0 HD11 LEU A 93 10.677 -5.125 -1.485 1.00 1.75 H new ATOM 0 HD12 LEU A 93 9.704 -3.935 -2.383 1.00 1.75 H new ATOM 0 HD13 LEU A 93 11.137 -3.407 -1.470 1.00 1.75 H new ATOM 0 HD21 LEU A 93 10.622 -5.277 0.875 1.00 1.91 H new ATOM 0 HD22 LEU A 93 11.097 -3.574 1.077 1.00 1.91 H new ATOM 0 HD23 LEU A 93 9.629 -4.189 1.873 1.00 1.91 H new ATOM 1556 N MET A 94 10.751 -0.345 -1.978 1.00 0.70 N ATOM 1557 CA MET A 94 10.861 0.614 -3.081 1.00 0.59 C ATOM 1558 C MET A 94 11.135 -0.117 -4.397 1.00 0.60 C ATOM 1559 O MET A 94 12.030 -0.962 -4.460 1.00 0.75 O ATOM 1560 CB MET A 94 11.978 1.615 -2.748 1.00 0.57 C ATOM 1561 CG MET A 94 11.777 2.917 -3.520 1.00 1.80 C ATOM 1562 SD MET A 94 13.139 4.088 -3.342 1.00 1.83 S ATOM 1563 CE MET A 94 12.529 4.960 -1.885 1.00 1.11 C ATOM 0 H MET A 94 11.465 -1.073 -1.998 1.00 0.70 H new ATOM 0 HA MET A 94 9.923 1.156 -3.204 1.00 0.59 H new ATOM 0 HB2 MET A 94 11.985 1.818 -1.677 1.00 0.57 H new ATOM 0 HB3 MET A 94 12.947 1.183 -2.997 1.00 0.57 H new ATOM 0 HG2 MET A 94 11.646 2.685 -4.577 1.00 1.80 H new ATOM 0 HG3 MET A 94 10.856 3.391 -3.181 1.00 1.80 H new ATOM 0 HE1 MET A 94 13.219 5.763 -1.626 1.00 1.11 H new ATOM 0 HE2 MET A 94 11.546 5.381 -2.098 1.00 1.11 H new ATOM 0 HE3 MET A 94 12.452 4.264 -1.050 1.00 1.11 H new ATOM 1573 N TRP A 95 10.369 0.190 -5.446 1.00 0.59 N ATOM 1574 CA TRP A 95 10.427 -0.559 -6.705 1.00 0.60 C ATOM 1575 C TRP A 95 11.632 -0.106 -7.538 1.00 0.66 C ATOM 1576 O TRP A 95 11.793 1.083 -7.826 1.00 0.57 O ATOM 1577 CB TRP A 95 9.137 -0.363 -7.519 1.00 0.59 C ATOM 1578 CG TRP A 95 7.827 -0.851 -6.967 1.00 0.60 C ATOM 1579 CD1 TRP A 95 7.497 -1.020 -5.667 1.00 0.63 C ATOM 1580 CD2 TRP A 95 6.620 -1.192 -7.720 1.00 0.65 C ATOM 1581 NE1 TRP A 95 6.180 -1.409 -5.563 1.00 0.69 N ATOM 1582 CE2 TRP A 95 5.584 -1.537 -6.798 1.00 0.75 C ATOM 1583 CE3 TRP A 95 6.287 -1.218 -9.093 1.00 0.68 C ATOM 1584 CZ2 TRP A 95 4.291 -1.888 -7.212 1.00 0.93 C ATOM 1585 CZ3 TRP A 95 4.993 -1.566 -9.521 1.00 0.85 C ATOM 1586 CH2 TRP A 95 3.997 -1.900 -8.586 1.00 0.99 C ATOM 0 H TRP A 95 9.697 0.957 -5.449 1.00 0.59 H new ATOM 0 HA TRP A 95 10.532 -1.617 -6.463 1.00 0.60 H new ATOM 0 HB2 TRP A 95 9.032 0.705 -7.711 1.00 0.59 H new ATOM 0 HB3 TRP A 95 9.284 -0.847 -8.484 1.00 0.59 H new ATOM 0 HD1 TRP A 95 8.167 -0.872 -4.833 1.00 0.63 H new ATOM 0 HE1 TRP A 95 5.703 -1.582 -4.678 1.00 0.69 H new ATOM 0 HE3 TRP A 95 7.039 -0.966 -9.826 1.00 0.68 H new ATOM 0 HZ2 TRP A 95 3.533 -2.145 -6.486 1.00 0.93 H new ATOM 0 HZ3 TRP A 95 4.763 -1.577 -10.576 1.00 0.85 H new ATOM 0 HH2 TRP A 95 3.006 -2.166 -8.924 1.00 0.99 H new ATOM 1597 N ASN A 96 12.461 -1.065 -7.954 1.00 0.89 N ATOM 1598 CA ASN A 96 13.598 -0.841 -8.847 1.00 0.99 C ATOM 1599 C ASN A 96 13.925 -2.102 -9.664 1.00 0.91 C ATOM 1600 O ASN A 96 13.563 -3.213 -9.275 1.00 0.87 O ATOM 1601 CB ASN A 96 14.801 -0.330 -8.032 1.00 1.13 C ATOM 1602 CG ASN A 96 15.910 0.239 -8.914 1.00 2.27 C ATOM 1603 OD1 ASN A 96 15.670 0.743 -10.006 1.00 3.46 O ATOM 1604 ND2 ASN A 96 17.151 0.158 -8.478 1.00 2.63 N ATOM 0 H ASN A 96 12.358 -2.040 -7.673 1.00 0.89 H new ATOM 0 HA ASN A 96 13.339 -0.073 -9.575 1.00 0.99 H new ATOM 0 HB2 ASN A 96 14.464 0.439 -7.337 1.00 1.13 H new ATOM 0 HB3 ASN A 96 15.202 -1.147 -7.432 1.00 1.13 H new ATOM 0 HD21 ASN A 96 17.917 0.515 -9.049 1.00 2.63 H new ATOM 0 HD22 ASN A 96 17.346 -0.262 -7.569 1.00 2.63 H new ATOM 1611 N ASP A 97 14.658 -1.938 -10.766 1.00 0.90 N ATOM 1612 CA ASP A 97 15.169 -3.028 -11.605 1.00 0.79 C ATOM 1613 C ASP A 97 16.086 -3.985 -10.820 1.00 0.71 C ATOM 1614 O ASP A 97 16.105 -5.183 -11.088 1.00 0.67 O ATOM 1615 CB ASP A 97 15.947 -2.421 -12.782 1.00 0.81 C ATOM 1616 CG ASP A 97 15.075 -1.528 -13.676 1.00 1.44 C ATOM 1617 OD1 ASP A 97 14.800 -0.371 -13.276 1.00 2.06 O ATOM 1618 OD2 ASP A 97 14.685 -1.995 -14.772 1.00 2.84 O ATOM 0 H ASP A 97 14.922 -1.015 -11.112 1.00 0.90 H new ATOM 0 HA ASP A 97 14.319 -3.611 -11.960 1.00 0.79 H new ATOM 0 HB2 ASP A 97 16.782 -1.836 -12.396 1.00 0.81 H new ATOM 0 HB3 ASP A 97 16.372 -3.225 -13.383 1.00 0.81 H new ATOM 1623 N ASP A 98 16.811 -3.460 -9.825 1.00 0.77 N ATOM 1624 CA ASP A 98 17.624 -4.218 -8.869 1.00 0.80 C ATOM 1625 C ASP A 98 16.772 -5.014 -7.864 1.00 0.74 C ATOM 1626 O ASP A 98 17.053 -6.187 -7.610 1.00 0.76 O ATOM 1627 CB ASP A 98 18.520 -3.233 -8.108 1.00 0.95 C ATOM 1628 CG ASP A 98 19.683 -2.716 -8.971 1.00 1.85 C ATOM 1629 OD1 ASP A 98 20.751 -3.373 -8.985 1.00 2.24 O ATOM 1630 OD2 ASP A 98 19.532 -1.652 -9.616 1.00 3.17 O ATOM 0 H ASP A 98 16.848 -2.454 -9.658 1.00 0.77 H new ATOM 0 HA ASP A 98 18.215 -4.942 -9.430 1.00 0.80 H new ATOM 0 HB2 ASP A 98 17.921 -2.389 -7.767 1.00 0.95 H new ATOM 0 HB3 ASP A 98 18.919 -3.721 -7.219 1.00 0.95 H new ATOM 1635 N LEU A 99 15.710 -4.401 -7.318 1.00 0.71 N ATOM 1636 CA LEU A 99 14.759 -5.050 -6.404 1.00 0.69 C ATOM 1637 C LEU A 99 14.082 -6.233 -7.113 1.00 0.63 C ATOM 1638 O LEU A 99 14.007 -7.340 -6.578 1.00 0.79 O ATOM 1639 CB LEU A 99 13.733 -3.994 -5.920 1.00 0.82 C ATOM 1640 CG LEU A 99 13.145 -4.196 -4.506 1.00 0.78 C ATOM 1641 CD1 LEU A 99 12.624 -5.613 -4.250 1.00 1.75 C ATOM 1642 CD2 LEU A 99 14.158 -3.808 -3.422 1.00 1.66 C ATOM 0 H LEU A 99 15.485 -3.424 -7.503 1.00 0.71 H new ATOM 0 HA LEU A 99 15.275 -5.450 -5.531 1.00 0.69 H new ATOM 0 HB2 LEU A 99 14.211 -3.015 -5.953 1.00 0.82 H new ATOM 0 HB3 LEU A 99 12.908 -3.970 -6.632 1.00 0.82 H new ATOM 0 HG LEU A 99 12.283 -3.530 -4.455 1.00 0.78 H new ATOM 0 HD11 LEU A 99 12.227 -5.677 -3.237 1.00 1.75 H new ATOM 0 HD12 LEU A 99 11.834 -5.845 -4.965 1.00 1.75 H new ATOM 0 HD13 LEU A 99 13.439 -6.327 -4.366 1.00 1.75 H new ATOM 0 HD21 LEU A 99 13.715 -3.961 -2.438 1.00 1.66 H new ATOM 0 HD22 LEU A 99 15.050 -4.428 -3.519 1.00 1.66 H new ATOM 0 HD23 LEU A 99 14.431 -2.759 -3.538 1.00 1.66 H new ATOM 1654 N PHE A 100 13.659 -6.008 -8.359 1.00 0.56 N ATOM 1655 CA PHE A 100 13.028 -6.998 -9.224 1.00 0.58 C ATOM 1656 C PHE A 100 14.036 -7.728 -10.135 1.00 0.62 C ATOM 1657 O PHE A 100 13.656 -8.284 -11.163 1.00 0.66 O ATOM 1658 CB PHE A 100 11.892 -6.320 -10.007 1.00 0.66 C ATOM 1659 CG PHE A 100 10.784 -5.630 -9.214 1.00 0.59 C ATOM 1660 CD1 PHE A 100 10.535 -5.918 -7.852 1.00 2.12 C ATOM 1661 CD2 PHE A 100 9.948 -4.711 -9.880 1.00 2.19 C ATOM 1662 CE1 PHE A 100 9.471 -5.292 -7.176 1.00 2.19 C ATOM 1663 CE2 PHE A 100 8.876 -4.099 -9.209 1.00 2.15 C ATOM 1664 CZ PHE A 100 8.637 -4.388 -7.855 1.00 0.64 C ATOM 0 H PHE A 100 13.752 -5.096 -8.807 1.00 0.56 H new ATOM 0 HA PHE A 100 12.604 -7.788 -8.605 1.00 0.58 H new ATOM 0 HB2 PHE A 100 12.340 -5.579 -10.669 1.00 0.66 H new ATOM 0 HB3 PHE A 100 11.428 -7.075 -10.641 1.00 0.66 H new ATOM 0 HD1 PHE A 100 11.165 -6.622 -7.328 1.00 2.12 H new ATOM 0 HD2 PHE A 100 10.134 -4.475 -10.917 1.00 2.19 H new ATOM 0 HE1 PHE A 100 9.295 -5.507 -6.132 1.00 2.19 H new ATOM 0 HE2 PHE A 100 8.235 -3.406 -9.734 1.00 2.15 H new ATOM 0 HZ PHE A 100 7.815 -3.917 -7.338 1.00 0.64 H new ATOM 1674 N SER A 101 15.323 -7.770 -9.766 1.00 0.66 N ATOM 1675 CA SER A 101 16.346 -8.510 -10.526 1.00 0.72 C ATOM 1676 C SER A 101 16.152 -10.038 -10.424 1.00 0.75 C ATOM 1677 O SER A 101 16.570 -10.777 -11.318 1.00 0.86 O ATOM 1678 CB SER A 101 17.751 -8.080 -10.073 1.00 0.82 C ATOM 1679 OG SER A 101 18.776 -8.593 -10.915 1.00 0.98 O ATOM 0 H SER A 101 15.685 -7.296 -8.938 1.00 0.66 H new ATOM 0 HA SER A 101 16.233 -8.260 -11.581 1.00 0.72 H new ATOM 0 HB2 SER A 101 17.807 -6.992 -10.059 1.00 0.82 H new ATOM 0 HB3 SER A 101 17.920 -8.421 -9.052 1.00 0.82 H new ATOM 0 HG SER A 101 19.649 -8.292 -10.588 1.00 0.98 H new ATOM 1685 N GLU A 102 15.458 -10.515 -9.381 1.00 0.72 N ATOM 1686 CA GLU A 102 14.854 -11.854 -9.338 1.00 0.74 C ATOM 1687 C GLU A 102 13.463 -11.818 -10.003 1.00 0.74 C ATOM 1688 O GLU A 102 13.206 -12.559 -10.955 1.00 0.91 O ATOM 1689 CB GLU A 102 14.781 -12.336 -7.875 1.00 0.79 C ATOM 1690 CG GLU A 102 14.728 -13.863 -7.713 1.00 1.55 C ATOM 1691 CD GLU A 102 13.460 -14.524 -8.280 1.00 3.04 C ATOM 1692 OE1 GLU A 102 12.341 -14.149 -7.863 1.00 3.74 O ATOM 1693 OE2 GLU A 102 13.586 -15.464 -9.102 1.00 4.41 O ATOM 0 H GLU A 102 15.298 -9.974 -8.531 1.00 0.72 H new ATOM 0 HA GLU A 102 15.467 -12.563 -9.894 1.00 0.74 H new ATOM 0 HB2 GLU A 102 15.648 -11.955 -7.336 1.00 0.79 H new ATOM 0 HB3 GLU A 102 13.898 -11.902 -7.406 1.00 0.79 H new ATOM 0 HG2 GLU A 102 15.599 -14.298 -8.204 1.00 1.55 H new ATOM 0 HG3 GLU A 102 14.805 -14.106 -6.653 1.00 1.55 H new ATOM 1700 N ALA A 103 12.584 -10.907 -9.559 1.00 0.59 N ATOM 1701 CA ALA A 103 11.188 -10.762 -9.995 1.00 0.57 C ATOM 1702 C ALA A 103 11.010 -10.130 -11.398 1.00 0.50 C ATOM 1703 O ALA A 103 10.085 -9.356 -11.637 1.00 0.49 O ATOM 1704 CB ALA A 103 10.415 -10.030 -8.884 1.00 0.55 C ATOM 0 H ALA A 103 12.840 -10.218 -8.852 1.00 0.59 H new ATOM 0 HA ALA A 103 10.766 -11.757 -10.138 1.00 0.57 H new ATOM 0 HB1 ALA A 103 9.374 -9.910 -9.184 1.00 0.55 H new ATOM 0 HB2 ALA A 103 10.463 -10.612 -7.964 1.00 0.55 H new ATOM 0 HB3 ALA A 103 10.860 -9.049 -8.717 1.00 0.55 H new ATOM 1710 N GLN A 104 11.870 -10.496 -12.347 1.00 0.50 N ATOM 1711 CA GLN A 104 11.823 -10.070 -13.747 1.00 0.49 C ATOM 1712 C GLN A 104 10.485 -10.382 -14.458 1.00 0.49 C ATOM 1713 O GLN A 104 10.020 -9.499 -15.185 1.00 0.50 O ATOM 1714 CB GLN A 104 13.000 -10.685 -14.526 1.00 0.55 C ATOM 1715 CG GLN A 104 14.376 -10.238 -14.003 1.00 0.66 C ATOM 1716 CD GLN A 104 15.537 -10.855 -14.792 1.00 0.75 C ATOM 1717 OE1 GLN A 104 15.517 -10.975 -16.012 1.00 0.84 O ATOM 1718 NE2 GLN A 104 16.596 -11.278 -14.134 1.00 1.09 N ATOM 0 H GLN A 104 12.651 -11.123 -12.155 1.00 0.50 H new ATOM 0 HA GLN A 104 11.906 -8.983 -13.736 1.00 0.49 H new ATOM 0 HB2 GLN A 104 12.934 -11.772 -14.472 1.00 0.55 H new ATOM 0 HB3 GLN A 104 12.913 -10.412 -15.578 1.00 0.55 H new ATOM 0 HG2 GLN A 104 14.444 -9.151 -14.054 1.00 0.66 H new ATOM 0 HG3 GLN A 104 14.468 -10.514 -12.953 1.00 0.66 H new ATOM 0 HE21 GLN A 104 16.635 -11.188 -13.119 1.00 1.09 H new ATOM 0 HE22 GLN A 104 17.378 -11.695 -14.640 1.00 1.09 H new ATOM 1727 N PRO A 105 9.826 -11.554 -14.272 1.00 0.52 N ATOM 1728 CA PRO A 105 8.556 -11.834 -14.944 1.00 0.59 C ATOM 1729 C PRO A 105 7.378 -11.069 -14.328 1.00 0.57 C ATOM 1730 O PRO A 105 6.351 -10.924 -14.990 1.00 0.62 O ATOM 1731 CB PRO A 105 8.378 -13.352 -14.874 1.00 0.67 C ATOM 1732 CG PRO A 105 9.083 -13.731 -13.578 1.00 0.63 C ATOM 1733 CD PRO A 105 10.226 -12.722 -13.487 1.00 0.56 C ATOM 0 HA PRO A 105 8.575 -11.489 -15.978 1.00 0.59 H new ATOM 0 HB2 PRO A 105 7.325 -13.633 -14.855 1.00 0.67 H new ATOM 0 HB3 PRO A 105 8.825 -13.849 -15.735 1.00 0.67 H new ATOM 0 HG2 PRO A 105 8.414 -13.658 -12.721 1.00 0.63 H new ATOM 0 HG3 PRO A 105 9.453 -14.756 -13.607 1.00 0.63 H new ATOM 0 HD2 PRO A 105 10.414 -12.444 -12.450 1.00 0.56 H new ATOM 0 HD3 PRO A 105 11.150 -13.150 -13.875 1.00 0.56 H new ATOM 1741 N LEU A 106 7.524 -10.535 -13.106 1.00 0.52 N ATOM 1742 CA LEU A 106 6.578 -9.574 -12.537 1.00 0.51 C ATOM 1743 C LEU A 106 6.838 -8.180 -13.096 1.00 0.49 C ATOM 1744 O LEU A 106 5.909 -7.529 -13.567 1.00 0.53 O ATOM 1745 CB LEU A 106 6.646 -9.656 -10.998 1.00 0.51 C ATOM 1746 CG LEU A 106 5.855 -8.590 -10.205 1.00 0.48 C ATOM 1747 CD1 LEU A 106 5.429 -9.176 -8.849 1.00 1.64 C ATOM 1748 CD2 LEU A 106 6.669 -7.309 -9.942 1.00 1.53 C ATOM 0 H LEU A 106 8.303 -10.760 -12.487 1.00 0.52 H new ATOM 0 HA LEU A 106 5.555 -9.817 -12.825 1.00 0.51 H new ATOM 0 HB2 LEU A 106 6.288 -10.640 -10.695 1.00 0.51 H new ATOM 0 HB3 LEU A 106 7.693 -9.592 -10.701 1.00 0.51 H new ATOM 0 HG LEU A 106 4.993 -8.320 -10.815 1.00 0.48 H new ATOM 0 HD11 LEU A 106 4.871 -8.426 -8.288 1.00 1.64 H new ATOM 0 HD12 LEU A 106 4.799 -10.050 -9.012 1.00 1.64 H new ATOM 0 HD13 LEU A 106 6.315 -9.467 -8.284 1.00 1.64 H new ATOM 0 HD21 LEU A 106 6.060 -6.599 -9.382 1.00 1.53 H new ATOM 0 HD22 LEU A 106 7.560 -7.556 -9.366 1.00 1.53 H new ATOM 0 HD23 LEU A 106 6.963 -6.864 -10.892 1.00 1.53 H new ATOM 1760 N TRP A 107 8.098 -7.744 -13.098 1.00 0.45 N ATOM 1761 CA TRP A 107 8.516 -6.430 -13.578 1.00 0.46 C ATOM 1762 C TRP A 107 8.118 -6.232 -15.043 1.00 0.49 C ATOM 1763 O TRP A 107 7.457 -5.249 -15.362 1.00 0.57 O ATOM 1764 CB TRP A 107 10.029 -6.298 -13.356 1.00 0.49 C ATOM 1765 CG TRP A 107 10.732 -5.053 -13.829 1.00 0.64 C ATOM 1766 CD1 TRP A 107 12.055 -5.004 -14.107 1.00 0.82 C ATOM 1767 CD2 TRP A 107 10.229 -3.696 -14.090 1.00 1.02 C ATOM 1768 NE1 TRP A 107 12.398 -3.746 -14.554 1.00 1.16 N ATOM 1769 CE2 TRP A 107 11.306 -2.918 -14.615 1.00 1.29 C ATOM 1770 CE3 TRP A 107 8.988 -3.028 -13.956 1.00 1.36 C ATOM 1771 CZ2 TRP A 107 11.152 -1.596 -15.054 1.00 1.75 C ATOM 1772 CZ3 TRP A 107 8.817 -1.705 -14.403 1.00 1.81 C ATOM 1773 CH2 TRP A 107 9.889 -0.998 -14.976 1.00 1.98 C ATOM 0 H TRP A 107 8.875 -8.311 -12.757 1.00 0.45 H new ATOM 0 HA TRP A 107 8.010 -5.641 -13.021 1.00 0.46 H new ATOM 0 HB2 TRP A 107 10.214 -6.393 -12.286 1.00 0.49 H new ATOM 0 HB3 TRP A 107 10.508 -7.150 -13.839 1.00 0.49 H new ATOM 0 HD1 TRP A 107 12.742 -5.830 -13.995 1.00 0.82 H new ATOM 0 HE1 TRP A 107 13.345 -3.466 -14.808 1.00 1.16 H new ATOM 0 HE3 TRP A 107 8.156 -3.545 -13.501 1.00 1.36 H new ATOM 0 HZ2 TRP A 107 11.995 -1.047 -15.447 1.00 1.75 H new ATOM 0 HZ3 TRP A 107 7.853 -1.228 -14.305 1.00 1.81 H new ATOM 0 HH2 TRP A 107 9.738 0.002 -15.354 1.00 1.98 H new ATOM 1784 N GLU A 108 8.439 -7.182 -15.926 1.00 0.50 N ATOM 1785 CA GLU A 108 8.182 -7.031 -17.362 1.00 0.53 C ATOM 1786 C GLU A 108 6.674 -6.997 -17.666 1.00 0.58 C ATOM 1787 O GLU A 108 6.207 -6.173 -18.454 1.00 0.63 O ATOM 1788 CB GLU A 108 8.881 -8.166 -18.134 1.00 0.60 C ATOM 1789 CG GLU A 108 9.078 -7.852 -19.624 1.00 0.86 C ATOM 1790 CD GLU A 108 10.150 -6.775 -19.852 1.00 2.05 C ATOM 1791 OE1 GLU A 108 11.357 -7.113 -19.872 1.00 2.65 O ATOM 1792 OE2 GLU A 108 9.801 -5.585 -20.022 1.00 3.50 O ATOM 0 H GLU A 108 8.879 -8.066 -15.671 1.00 0.50 H new ATOM 0 HA GLU A 108 8.592 -6.076 -17.690 1.00 0.53 H new ATOM 0 HB2 GLU A 108 9.852 -8.362 -17.679 1.00 0.60 H new ATOM 0 HB3 GLU A 108 8.293 -9.079 -18.036 1.00 0.60 H new ATOM 0 HG2 GLU A 108 9.362 -8.763 -20.151 1.00 0.86 H new ATOM 0 HG3 GLU A 108 8.133 -7.518 -20.052 1.00 0.86 H new ATOM 1799 N ALA A 109 5.897 -7.863 -17.011 1.00 0.60 N ATOM 1800 CA ALA A 109 4.438 -7.874 -17.112 1.00 0.66 C ATOM 1801 C ALA A 109 3.790 -6.587 -16.583 1.00 0.66 C ATOM 1802 O ALA A 109 2.936 -5.998 -17.246 1.00 0.71 O ATOM 1803 CB ALA A 109 3.935 -9.121 -16.394 1.00 0.69 C ATOM 0 H ALA A 109 6.268 -8.582 -16.390 1.00 0.60 H new ATOM 0 HA ALA A 109 4.147 -7.907 -18.162 1.00 0.66 H new ATOM 0 HB1 ALA A 109 2.847 -9.160 -16.451 1.00 0.69 H new ATOM 0 HB2 ALA A 109 4.355 -10.008 -16.868 1.00 0.69 H new ATOM 0 HB3 ALA A 109 4.243 -9.088 -15.349 1.00 0.69 H new ATOM 1809 N ALA A 110 4.201 -6.126 -15.404 1.00 0.62 N ATOM 1810 CA ALA A 110 3.691 -4.905 -14.787 1.00 0.67 C ATOM 1811 C ALA A 110 4.003 -3.666 -15.647 1.00 0.64 C ATOM 1812 O ALA A 110 3.109 -2.873 -15.942 1.00 0.71 O ATOM 1813 CB ALA A 110 4.288 -4.836 -13.379 1.00 0.68 C ATOM 0 H ALA A 110 4.909 -6.598 -14.842 1.00 0.62 H new ATOM 0 HA ALA A 110 2.603 -4.920 -14.716 1.00 0.67 H new ATOM 0 HB1 ALA A 110 3.933 -3.936 -12.877 1.00 0.68 H new ATOM 0 HB2 ALA A 110 3.981 -5.714 -12.810 1.00 0.68 H new ATOM 0 HB3 ALA A 110 5.376 -4.810 -13.446 1.00 0.68 H new ATOM 1819 N ARG A 111 5.242 -3.571 -16.142 1.00 0.59 N ATOM 1820 CA ARG A 111 5.728 -2.558 -17.091 1.00 0.62 C ATOM 1821 C ARG A 111 4.869 -2.516 -18.365 1.00 0.64 C ATOM 1822 O ARG A 111 4.502 -1.431 -18.818 1.00 0.68 O ATOM 1823 CB ARG A 111 7.182 -2.929 -17.427 1.00 0.73 C ATOM 1824 CG ARG A 111 8.002 -1.947 -18.274 1.00 0.81 C ATOM 1825 CD ARG A 111 9.233 -2.699 -18.817 1.00 1.34 C ATOM 1826 NE ARG A 111 10.514 -2.031 -18.541 1.00 2.56 N ATOM 1827 CZ ARG A 111 11.706 -2.566 -18.786 1.00 3.47 C ATOM 1828 NH1 ARG A 111 11.838 -3.750 -19.350 1.00 3.43 N ATOM 1829 NH2 ARG A 111 12.802 -1.913 -18.463 1.00 5.00 N ATOM 0 H ARG A 111 5.973 -4.232 -15.879 1.00 0.59 H new ATOM 0 HA ARG A 111 5.666 -1.564 -16.648 1.00 0.62 H new ATOM 0 HB2 ARG A 111 7.713 -3.082 -16.487 1.00 0.73 H new ATOM 0 HB3 ARG A 111 7.170 -3.887 -17.946 1.00 0.73 H new ATOM 0 HG2 ARG A 111 7.400 -1.558 -19.095 1.00 0.81 H new ATOM 0 HG3 ARG A 111 8.312 -1.092 -17.673 1.00 0.81 H new ATOM 0 HD2 ARG A 111 9.256 -3.699 -18.383 1.00 1.34 H new ATOM 0 HD3 ARG A 111 9.124 -2.822 -19.895 1.00 1.34 H new ATOM 0 HE ARG A 111 10.486 -1.096 -18.135 1.00 2.56 H new ATOM 0 HH11 ARG A 111 11.010 -4.285 -19.613 1.00 3.43 H new ATOM 0 HH12 ARG A 111 12.768 -4.131 -19.524 1.00 3.43 H new ATOM 0 HH21 ARG A 111 12.738 -0.995 -18.024 1.00 5.00 H new ATOM 0 HH22 ARG A 111 13.716 -2.325 -18.652 1.00 5.00 H new ATOM 1843 N ALA A 112 4.492 -3.687 -18.897 1.00 0.63 N ATOM 1844 CA ALA A 112 3.635 -3.823 -20.079 1.00 0.68 C ATOM 1845 C ALA A 112 2.193 -3.356 -19.815 1.00 0.75 C ATOM 1846 O ALA A 112 1.579 -2.705 -20.659 1.00 0.85 O ATOM 1847 CB ALA A 112 3.678 -5.289 -20.529 1.00 0.70 C ATOM 0 H ALA A 112 4.782 -4.584 -18.508 1.00 0.63 H new ATOM 0 HA ALA A 112 4.011 -3.176 -20.871 1.00 0.68 H new ATOM 0 HB1 ALA A 112 3.047 -5.418 -21.409 1.00 0.70 H new ATOM 0 HB2 ALA A 112 4.704 -5.564 -20.774 1.00 0.70 H new ATOM 0 HB3 ALA A 112 3.313 -5.927 -19.724 1.00 0.70 H new ATOM 1853 N HIS A 113 1.646 -3.674 -18.643 1.00 0.73 N ATOM 1854 CA HIS A 113 0.323 -3.215 -18.187 1.00 0.76 C ATOM 1855 C HIS A 113 0.274 -1.723 -17.787 1.00 0.78 C ATOM 1856 O HIS A 113 -0.818 -1.176 -17.616 1.00 0.81 O ATOM 1857 CB HIS A 113 -0.171 -4.147 -17.078 1.00 0.72 C ATOM 1858 CG HIS A 113 -0.574 -5.503 -17.606 1.00 0.74 C ATOM 1859 ND1 HIS A 113 0.241 -6.602 -17.750 1.00 0.73 N ATOM 1860 CD2 HIS A 113 -1.815 -5.876 -18.053 1.00 0.83 C ATOM 1861 CE1 HIS A 113 -0.481 -7.606 -18.273 1.00 0.76 C ATOM 1862 NE2 HIS A 113 -1.749 -7.211 -18.482 1.00 0.83 N ATOM 0 H HIS A 113 2.117 -4.272 -17.964 1.00 0.73 H new ATOM 0 HA HIS A 113 -0.361 -3.271 -19.034 1.00 0.76 H new ATOM 0 HB2 HIS A 113 0.614 -4.269 -16.332 1.00 0.72 H new ATOM 0 HB3 HIS A 113 -1.021 -3.689 -16.573 1.00 0.72 H new ATOM 0 HD1 HIS A 113 1.229 -6.647 -17.501 1.00 0.73 H new ATOM 0 HD2 HIS A 113 -2.694 -5.249 -18.072 1.00 0.83 H new ATOM 0 HE1 HIS A 113 -0.098 -8.591 -18.494 1.00 0.76 H new ATOM 1870 N GLY A 114 1.433 -1.061 -17.680 1.00 0.78 N ATOM 1871 CA GLY A 114 1.579 0.383 -17.460 1.00 0.82 C ATOM 1872 C GLY A 114 2.148 0.774 -16.095 1.00 0.79 C ATOM 1873 O GLY A 114 2.451 1.948 -15.902 1.00 0.87 O ATOM 0 H GLY A 114 2.332 -1.537 -17.747 1.00 0.78 H new ATOM 0 HA2 GLY A 114 2.226 0.790 -18.237 1.00 0.82 H new ATOM 0 HA3 GLY A 114 0.603 0.854 -17.579 1.00 0.82 H new ATOM 1877 N LEU A 115 2.337 -0.188 -15.182 1.00 0.73 N ATOM 1878 CA LEU A 115 2.846 -0.024 -13.816 1.00 0.72 C ATOM 1879 C LEU A 115 4.380 0.178 -13.842 1.00 0.77 C ATOM 1880 O LEU A 115 5.150 -0.666 -13.377 1.00 1.06 O ATOM 1881 CB LEU A 115 2.427 -1.248 -12.968 1.00 0.70 C ATOM 1882 CG LEU A 115 0.926 -1.500 -12.693 1.00 0.70 C ATOM 1883 CD1 LEU A 115 0.068 -1.804 -13.933 1.00 1.07 C ATOM 1884 CD2 LEU A 115 0.809 -2.705 -11.742 1.00 1.13 C ATOM 0 H LEU A 115 2.125 -1.163 -15.392 1.00 0.73 H new ATOM 0 HA LEU A 115 2.416 0.866 -13.356 1.00 0.72 H new ATOM 0 HB2 LEU A 115 2.824 -2.137 -13.458 1.00 0.70 H new ATOM 0 HB3 LEU A 115 2.927 -1.165 -12.003 1.00 0.70 H new ATOM 0 HG LEU A 115 0.542 -0.569 -12.276 1.00 0.70 H new ATOM 0 HD11 LEU A 115 -0.966 -1.965 -13.629 1.00 1.07 H new ATOM 0 HD12 LEU A 115 0.117 -0.963 -14.624 1.00 1.07 H new ATOM 0 HD13 LEU A 115 0.445 -2.700 -14.425 1.00 1.07 H new ATOM 0 HD21 LEU A 115 -0.242 -2.903 -11.533 1.00 1.13 H new ATOM 0 HD22 LEU A 115 1.257 -3.582 -12.209 1.00 1.13 H new ATOM 0 HD23 LEU A 115 1.329 -2.485 -10.810 1.00 1.13 H new ATOM 1896 N ARG A 116 4.833 1.275 -14.459 1.00 0.83 N ATOM 1897 CA ARG A 116 6.229 1.488 -14.878 1.00 0.90 C ATOM 1898 C ARG A 116 7.217 1.734 -13.726 1.00 0.82 C ATOM 1899 O ARG A 116 8.401 1.472 -13.904 1.00 0.83 O ATOM 1900 CB ARG A 116 6.297 2.614 -15.914 1.00 1.12 C ATOM 1901 CG ARG A 116 5.524 2.184 -17.174 1.00 1.39 C ATOM 1902 CD ARG A 116 6.192 2.640 -18.464 1.00 1.33 C ATOM 1903 NE ARG A 116 5.862 4.048 -18.741 1.00 1.61 N ATOM 1904 CZ ARG A 116 5.468 4.575 -19.891 1.00 2.17 C ATOM 1905 NH1 ARG A 116 5.482 3.903 -21.024 1.00 2.84 N ATOM 1906 NH2 ARG A 116 5.040 5.817 -19.896 1.00 2.87 N ATOM 0 H ARG A 116 4.226 2.062 -14.688 1.00 0.83 H new ATOM 0 HA ARG A 116 6.555 0.549 -15.325 1.00 0.90 H new ATOM 0 HB2 ARG A 116 5.869 3.529 -15.504 1.00 1.12 H new ATOM 0 HB3 ARG A 116 7.335 2.832 -16.165 1.00 1.12 H new ATOM 0 HG2 ARG A 116 5.430 1.098 -17.184 1.00 1.39 H new ATOM 0 HG3 ARG A 116 4.514 2.591 -17.131 1.00 1.39 H new ATOM 0 HD2 ARG A 116 7.273 2.522 -18.383 1.00 1.33 H new ATOM 0 HD3 ARG A 116 5.864 2.013 -19.293 1.00 1.33 H new ATOM 0 HE ARG A 116 5.947 4.693 -17.956 1.00 1.61 H new ATOM 0 HH11 ARG A 116 5.806 2.936 -21.039 1.00 2.84 H new ATOM 0 HH12 ARG A 116 5.169 4.350 -21.886 1.00 2.84 H new ATOM 0 HH21 ARG A 116 5.017 6.352 -19.028 1.00 2.87 H new ATOM 0 HH22 ARG A 116 4.731 6.246 -20.768 1.00 2.87 H new ATOM 1920 N ARG A 117 6.753 2.201 -12.564 1.00 0.83 N ATOM 1921 CA ARG A 117 7.468 2.328 -11.275 1.00 0.73 C ATOM 1922 C ARG A 117 6.440 2.215 -10.136 1.00 0.78 C ATOM 1923 O ARG A 117 5.236 2.142 -10.398 1.00 1.06 O ATOM 1924 CB ARG A 117 8.250 3.661 -11.168 1.00 0.84 C ATOM 1925 CG ARG A 117 9.305 3.936 -12.252 1.00 1.21 C ATOM 1926 CD ARG A 117 10.460 2.927 -12.348 1.00 0.93 C ATOM 1927 NE ARG A 117 11.522 3.132 -11.348 1.00 1.09 N ATOM 1928 CZ ARG A 117 12.651 2.428 -11.313 1.00 1.21 C ATOM 1929 NH1 ARG A 117 12.883 1.458 -12.175 1.00 1.86 N ATOM 1930 NH2 ARG A 117 13.571 2.691 -10.412 1.00 1.61 N ATOM 0 H ARG A 117 5.790 2.529 -12.486 1.00 0.83 H new ATOM 0 HA ARG A 117 8.205 1.528 -11.204 1.00 0.73 H new ATOM 0 HB2 ARG A 117 7.530 4.479 -11.180 1.00 0.84 H new ATOM 0 HB3 ARG A 117 8.746 3.687 -10.198 1.00 0.84 H new ATOM 0 HG2 ARG A 117 8.802 3.973 -13.218 1.00 1.21 H new ATOM 0 HG3 ARG A 117 9.728 4.925 -12.075 1.00 1.21 H new ATOM 0 HD2 ARG A 117 10.059 1.920 -12.235 1.00 0.93 H new ATOM 0 HD3 ARG A 117 10.898 2.986 -13.345 1.00 0.93 H new ATOM 0 HE ARG A 117 11.384 3.855 -10.642 1.00 1.09 H new ATOM 0 HH11 ARG A 117 12.190 1.233 -12.889 1.00 1.86 H new ATOM 0 HH12 ARG A 117 13.756 0.932 -12.128 1.00 1.86 H new ATOM 0 HH21 ARG A 117 13.422 3.438 -9.734 1.00 1.61 H new ATOM 0 HH22 ARG A 117 14.434 2.148 -10.391 1.00 1.61 H new ATOM 1944 N GLY A 118 6.883 2.213 -8.877 1.00 0.63 N ATOM 1945 CA GLY A 118 5.972 2.244 -7.722 1.00 0.64 C ATOM 1946 C GLY A 118 6.595 2.614 -6.376 1.00 0.59 C ATOM 1947 O GLY A 118 7.815 2.682 -6.230 1.00 0.62 O ATOM 0 H GLY A 118 7.872 2.190 -8.627 1.00 0.63 H new ATOM 0 HA2 GLY A 118 5.173 2.954 -7.936 1.00 0.64 H new ATOM 0 HA3 GLY A 118 5.508 1.262 -7.626 1.00 0.64 H new ATOM 1951 N VAL A 119 5.715 2.857 -5.406 1.00 0.61 N ATOM 1952 CA VAL A 119 6.010 3.216 -4.002 1.00 0.62 C ATOM 1953 C VAL A 119 5.203 2.290 -3.090 1.00 0.60 C ATOM 1954 O VAL A 119 4.030 2.053 -3.367 1.00 0.62 O ATOM 1955 CB VAL A 119 5.672 4.701 -3.689 1.00 0.72 C ATOM 1956 CG1 VAL A 119 6.577 5.632 -4.504 1.00 0.83 C ATOM 1957 CG2 VAL A 119 4.214 5.104 -3.960 1.00 0.89 C ATOM 0 H VAL A 119 4.711 2.808 -5.581 1.00 0.61 H new ATOM 0 HA VAL A 119 7.079 3.095 -3.830 1.00 0.62 H new ATOM 0 HB VAL A 119 5.838 4.802 -2.616 1.00 0.72 H new ATOM 0 HG11 VAL A 119 6.331 6.669 -4.277 1.00 0.83 H new ATOM 0 HG12 VAL A 119 7.619 5.442 -4.248 1.00 0.83 H new ATOM 0 HG13 VAL A 119 6.425 5.448 -5.568 1.00 0.83 H new ATOM 0 HG21 VAL A 119 4.075 6.156 -3.712 1.00 0.89 H new ATOM 0 HG22 VAL A 119 3.983 4.946 -5.013 1.00 0.89 H new ATOM 0 HG23 VAL A 119 3.549 4.496 -3.347 1.00 0.89 H new ATOM 1967 N THR A 120 5.801 1.758 -2.018 1.00 0.60 N ATOM 1968 CA THR A 120 5.166 0.761 -1.136 1.00 0.53 C ATOM 1969 C THR A 120 5.404 1.116 0.322 1.00 0.62 C ATOM 1970 O THR A 120 6.458 1.629 0.692 1.00 0.71 O ATOM 1971 CB THR A 120 5.702 -0.641 -1.464 1.00 0.44 C ATOM 1972 OG1 THR A 120 5.355 -0.953 -2.794 1.00 0.44 O ATOM 1973 CG2 THR A 120 5.168 -1.772 -0.582 1.00 0.56 C ATOM 0 H THR A 120 6.748 2.007 -1.732 1.00 0.60 H new ATOM 0 HA THR A 120 4.089 0.764 -1.306 1.00 0.53 H new ATOM 0 HB THR A 120 6.776 -0.587 -1.289 1.00 0.44 H new ATOM 0 HG1 THR A 120 4.428 -0.682 -2.962 1.00 0.44 H new ATOM 0 HG21 THR A 120 5.609 -2.718 -0.897 1.00 0.56 H new ATOM 0 HG22 THR A 120 5.431 -1.578 0.458 1.00 0.56 H new ATOM 0 HG23 THR A 120 4.084 -1.827 -0.678 1.00 0.56 H new ATOM 1981 N GLN A 121 4.429 0.820 1.172 1.00 0.63 N ATOM 1982 CA GLN A 121 4.559 0.911 2.619 1.00 0.62 C ATOM 1983 C GLN A 121 3.965 -0.317 3.315 1.00 0.63 C ATOM 1984 O GLN A 121 3.140 -1.047 2.766 1.00 0.68 O ATOM 1985 CB GLN A 121 3.925 2.221 3.131 1.00 0.59 C ATOM 1986 CG GLN A 121 4.957 3.327 3.427 1.00 1.26 C ATOM 1987 CD GLN A 121 5.977 2.957 4.506 1.00 1.95 C ATOM 1988 OE1 GLN A 121 5.828 1.994 5.239 1.00 2.53 O ATOM 1989 NE2 GLN A 121 7.071 3.680 4.633 1.00 3.00 N ATOM 0 H GLN A 121 3.508 0.504 0.868 1.00 0.63 H new ATOM 0 HA GLN A 121 5.620 0.929 2.867 1.00 0.62 H new ATOM 0 HB2 GLN A 121 3.215 2.586 2.389 1.00 0.59 H new ATOM 0 HB3 GLN A 121 3.358 2.011 4.038 1.00 0.59 H new ATOM 0 HG2 GLN A 121 5.489 3.568 2.507 1.00 1.26 H new ATOM 0 HG3 GLN A 121 4.429 4.229 3.736 1.00 1.26 H new ATOM 0 HE21 GLN A 121 7.219 4.491 4.032 1.00 3.00 H new ATOM 0 HE22 GLN A 121 7.770 3.429 5.332 1.00 3.00 H new ATOM 1998 N TYR A 122 4.415 -0.516 4.551 1.00 0.68 N ATOM 1999 CA TYR A 122 4.114 -1.624 5.457 1.00 0.69 C ATOM 2000 C TYR A 122 3.917 -1.060 6.866 1.00 0.72 C ATOM 2001 O TYR A 122 4.624 -0.134 7.278 1.00 0.78 O ATOM 2002 CB TYR A 122 5.291 -2.618 5.419 1.00 0.75 C ATOM 2003 CG TYR A 122 5.673 -3.360 6.693 1.00 0.80 C ATOM 2004 CD1 TYR A 122 6.537 -2.741 7.621 1.00 2.08 C ATOM 2005 CD2 TYR A 122 5.262 -4.690 6.912 1.00 1.47 C ATOM 2006 CE1 TYR A 122 6.984 -3.434 8.761 1.00 2.20 C ATOM 2007 CE2 TYR A 122 5.734 -5.400 8.032 1.00 1.53 C ATOM 2008 CZ TYR A 122 6.588 -4.775 8.966 1.00 1.14 C ATOM 2009 OH TYR A 122 7.024 -5.466 10.056 1.00 1.35 O ATOM 0 H TYR A 122 5.055 0.151 4.983 1.00 0.68 H new ATOM 0 HA TYR A 122 3.204 -2.145 5.158 1.00 0.69 H new ATOM 0 HB2 TYR A 122 5.066 -3.365 4.658 1.00 0.75 H new ATOM 0 HB3 TYR A 122 6.171 -2.072 5.080 1.00 0.75 H new ATOM 0 HD1 TYR A 122 6.859 -1.724 7.454 1.00 2.08 H new ATOM 0 HD2 TYR A 122 4.584 -5.165 6.219 1.00 1.47 H new ATOM 0 HE1 TYR A 122 7.627 -2.943 9.476 1.00 2.20 H new ATOM 0 HE2 TYR A 122 5.441 -6.429 8.178 1.00 1.53 H new ATOM 0 HH TYR A 122 6.653 -6.373 10.038 1.00 1.35 H new ATOM 2019 N LEU A 123 2.988 -1.636 7.628 1.00 0.77 N ATOM 2020 CA LEU A 123 2.797 -1.258 9.023 1.00 0.86 C ATOM 2021 C LEU A 123 2.267 -2.427 9.844 1.00 0.89 C ATOM 2022 O LEU A 123 1.296 -3.086 9.467 1.00 0.96 O ATOM 2023 CB LEU A 123 1.904 -0.004 9.100 1.00 1.02 C ATOM 2024 CG LEU A 123 2.040 0.717 10.461 1.00 1.06 C ATOM 2025 CD1 LEU A 123 2.418 2.190 10.258 1.00 2.30 C ATOM 2026 CD2 LEU A 123 0.745 0.600 11.270 1.00 2.48 C ATOM 0 H LEU A 123 2.356 -2.367 7.300 1.00 0.77 H new ATOM 0 HA LEU A 123 3.758 -1.001 9.467 1.00 0.86 H new ATOM 0 HB2 LEU A 123 2.172 0.683 8.297 1.00 1.02 H new ATOM 0 HB3 LEU A 123 0.864 -0.289 8.942 1.00 1.02 H new ATOM 0 HG LEU A 123 2.838 0.232 11.023 1.00 1.06 H new ATOM 0 HD11 LEU A 123 2.509 2.679 11.228 1.00 2.30 H new ATOM 0 HD12 LEU A 123 3.369 2.252 9.730 1.00 2.30 H new ATOM 0 HD13 LEU A 123 1.645 2.687 9.672 1.00 2.30 H new ATOM 0 HD21 LEU A 123 0.864 1.114 12.224 1.00 2.48 H new ATOM 0 HD22 LEU A 123 -0.074 1.054 10.713 1.00 2.48 H new ATOM 0 HD23 LEU A 123 0.523 -0.452 11.450 1.00 2.48 H new ATOM 2038 N MET A 124 2.926 -2.667 10.977 1.00 0.94 N ATOM 2039 CA MET A 124 2.584 -3.707 11.943 1.00 0.96 C ATOM 2040 C MET A 124 2.121 -3.056 13.247 1.00 1.05 C ATOM 2041 O MET A 124 2.724 -2.085 13.716 1.00 1.16 O ATOM 2042 CB MET A 124 3.775 -4.681 12.085 1.00 1.06 C ATOM 2043 CG MET A 124 4.686 -4.577 13.315 1.00 2.05 C ATOM 2044 SD MET A 124 3.991 -5.076 14.921 1.00 2.77 S ATOM 2045 CE MET A 124 3.276 -6.685 14.490 1.00 2.40 C ATOM 0 H MET A 124 3.742 -2.122 11.256 1.00 0.94 H new ATOM 0 HA MET A 124 1.744 -4.314 11.605 1.00 0.96 H new ATOM 0 HB2 MET A 124 3.375 -5.694 12.058 1.00 1.06 H new ATOM 0 HB3 MET A 124 4.402 -4.563 11.201 1.00 1.06 H new ATOM 0 HG2 MET A 124 5.572 -5.184 13.129 1.00 2.05 H new ATOM 0 HG3 MET A 124 5.020 -3.543 13.400 1.00 2.05 H new ATOM 0 HE1 MET A 124 3.099 -7.260 15.399 1.00 2.40 H new ATOM 0 HE2 MET A 124 2.332 -6.535 13.966 1.00 2.40 H new ATOM 0 HE3 MET A 124 3.966 -7.229 13.845 1.00 2.40 H new ATOM 2055 N LEU A 125 1.031 -3.575 13.812 1.00 1.09 N ATOM 2056 CA LEU A 125 0.489 -3.154 15.103 1.00 1.14 C ATOM 2057 C LEU A 125 0.767 -4.272 16.130 1.00 1.22 C ATOM 2058 O LEU A 125 0.406 -5.423 15.853 1.00 1.18 O ATOM 2059 CB LEU A 125 -1.021 -2.872 14.955 1.00 1.24 C ATOM 2060 CG LEU A 125 -1.401 -1.832 13.878 1.00 1.26 C ATOM 2061 CD1 LEU A 125 -2.929 -1.730 13.765 1.00 1.78 C ATOM 2062 CD2 LEU A 125 -0.819 -0.446 14.185 1.00 2.52 C ATOM 0 H LEU A 125 0.487 -4.318 13.373 1.00 1.09 H new ATOM 0 HA LEU A 125 0.962 -2.236 15.450 1.00 1.14 H new ATOM 0 HB2 LEU A 125 -1.527 -3.809 14.724 1.00 1.24 H new ATOM 0 HB3 LEU A 125 -1.405 -2.531 15.916 1.00 1.24 H new ATOM 0 HG LEU A 125 -0.977 -2.172 12.933 1.00 1.26 H new ATOM 0 HD11 LEU A 125 -3.189 -0.995 13.004 1.00 1.78 H new ATOM 0 HD12 LEU A 125 -3.339 -2.701 13.487 1.00 1.78 H new ATOM 0 HD13 LEU A 125 -3.345 -1.422 14.724 1.00 1.78 H new ATOM 0 HD21 LEU A 125 -1.112 0.253 13.402 1.00 2.52 H new ATOM 0 HD22 LEU A 125 -1.200 -0.096 15.144 1.00 2.52 H new ATOM 0 HD23 LEU A 125 0.268 -0.509 14.227 1.00 2.52 H new ATOM 2074 N PRO A 126 1.374 -3.977 17.300 1.00 1.54 N ATOM 2075 CA PRO A 126 1.723 -4.993 18.296 1.00 1.82 C ATOM 2076 C PRO A 126 0.480 -5.635 18.936 1.00 1.85 C ATOM 2077 O PRO A 126 0.554 -6.768 19.407 1.00 2.02 O ATOM 2078 CB PRO A 126 2.600 -4.273 19.325 1.00 2.24 C ATOM 2079 CG PRO A 126 2.136 -2.821 19.240 1.00 2.17 C ATOM 2080 CD PRO A 126 1.799 -2.659 17.758 1.00 1.76 C ATOM 0 HA PRO A 126 2.253 -5.829 17.839 1.00 1.82 H new ATOM 0 HB2 PRO A 126 2.460 -4.681 20.326 1.00 2.24 H new ATOM 0 HB3 PRO A 126 3.659 -4.370 19.087 1.00 2.24 H new ATOM 0 HG2 PRO A 126 1.269 -2.636 19.874 1.00 2.17 H new ATOM 0 HG3 PRO A 126 2.916 -2.128 19.555 1.00 2.17 H new ATOM 0 HD2 PRO A 126 1.009 -1.922 17.615 1.00 1.76 H new ATOM 0 HD3 PRO A 126 2.665 -2.310 17.196 1.00 1.76 H new ATOM 2088 N GLU A 127 -0.669 -4.948 18.892 1.00 1.85 N ATOM 2089 CA GLU A 127 -2.000 -5.527 19.058 1.00 1.97 C ATOM 2090 C GLU A 127 -2.872 -5.093 17.866 1.00 2.63 C ATOM 2091 O GLU A 127 -2.972 -3.896 17.592 1.00 4.50 O ATOM 2092 CB GLU A 127 -2.601 -5.065 20.396 1.00 2.96 C ATOM 2093 CG GLU A 127 -3.910 -5.792 20.721 1.00 2.80 C ATOM 2094 CD GLU A 127 -4.518 -5.268 22.031 1.00 3.80 C ATOM 2095 OE1 GLU A 127 -4.042 -5.658 23.125 1.00 5.37 O ATOM 2096 OE2 GLU A 127 -5.482 -4.467 21.979 1.00 3.78 O ATOM 0 H GLU A 127 -0.694 -3.941 18.734 1.00 1.85 H new ATOM 0 HA GLU A 127 -1.949 -6.616 19.078 1.00 1.97 H new ATOM 0 HB2 GLU A 127 -1.881 -5.240 21.196 1.00 2.96 H new ATOM 0 HB3 GLU A 127 -2.783 -3.991 20.360 1.00 2.96 H new ATOM 0 HG2 GLU A 127 -4.620 -5.654 19.905 1.00 2.80 H new ATOM 0 HG3 GLU A 127 -3.725 -6.863 20.804 1.00 2.80 H new ATOM 2103 N ARG A 128 -3.458 -6.085 17.176 1.00 1.96 N ATOM 2104 CA ARG A 128 -4.356 -6.079 15.999 1.00 3.04 C ATOM 2105 C ARG A 128 -3.764 -6.897 14.843 1.00 1.85 C ATOM 2106 O ARG A 128 -4.142 -8.056 14.676 1.00 2.01 O ATOM 2107 CB ARG A 128 -4.876 -4.702 15.505 1.00 5.16 C ATOM 2108 CG ARG A 128 -6.057 -4.120 16.305 1.00 6.89 C ATOM 2109 CD ARG A 128 -7.324 -4.977 16.149 1.00 7.21 C ATOM 2110 NE ARG A 128 -8.548 -4.262 16.565 1.00 8.75 N ATOM 2111 CZ ARG A 128 -9.652 -4.089 15.840 1.00 10.15 C ATOM 2112 NH1 ARG A 128 -9.736 -4.428 14.575 1.00 10.63 N ATOM 2113 NH2 ARG A 128 -10.738 -3.576 16.369 1.00 11.54 N ATOM 0 H ARG A 128 -3.291 -7.047 17.470 1.00 1.96 H new ATOM 0 HA ARG A 128 -5.258 -6.559 16.378 1.00 3.04 H new ATOM 0 HB2 ARG A 128 -4.052 -3.989 15.534 1.00 5.16 H new ATOM 0 HB3 ARG A 128 -5.177 -4.799 14.462 1.00 5.16 H new ATOM 0 HG2 ARG A 128 -5.787 -4.057 17.359 1.00 6.89 H new ATOM 0 HG3 ARG A 128 -6.261 -3.104 15.967 1.00 6.89 H new ATOM 0 HD2 ARG A 128 -7.424 -5.285 15.108 1.00 7.21 H new ATOM 0 HD3 ARG A 128 -7.219 -5.886 16.742 1.00 7.21 H new ATOM 0 HE ARG A 128 -8.548 -3.860 17.502 1.00 8.75 H new ATOM 0 HH11 ARG A 128 -8.933 -4.844 14.104 1.00 10.63 H new ATOM 0 HH12 ARG A 128 -10.605 -4.275 14.063 1.00 10.63 H new ATOM 0 HH21 ARG A 128 -10.746 -3.302 17.351 1.00 11.54 H new ATOM 0 HH22 ARG A 128 -11.574 -3.451 15.798 1.00 11.54 H new ATOM 2127 N ALA A 129 -2.925 -6.305 13.989 1.00 2.06 N ATOM 2128 CA ALA A 129 -2.765 -6.772 12.607 1.00 1.56 C ATOM 2129 C ALA A 129 -1.470 -6.316 11.915 1.00 1.45 C ATOM 2130 O ALA A 129 -0.708 -5.489 12.424 1.00 1.77 O ATOM 2131 CB ALA A 129 -4.003 -6.297 11.823 1.00 1.73 C ATOM 0 H ALA A 129 -2.345 -5.501 14.229 1.00 2.06 H new ATOM 0 HA ALA A 129 -2.682 -7.859 12.627 1.00 1.56 H new ATOM 0 HB1 ALA A 129 -3.925 -6.624 10.786 1.00 1.73 H new ATOM 0 HB2 ALA A 129 -4.902 -6.721 12.270 1.00 1.73 H new ATOM 0 HB3 ALA A 129 -4.060 -5.209 11.857 1.00 1.73 H new ATOM 2137 N LEU A 130 -1.273 -6.854 10.710 1.00 1.23 N ATOM 2138 CA LEU A 130 -0.269 -6.453 9.727 1.00 1.20 C ATOM 2139 C LEU A 130 -0.971 -5.965 8.455 1.00 1.05 C ATOM 2140 O LEU A 130 -2.035 -6.465 8.084 1.00 0.99 O ATOM 2141 CB LEU A 130 0.654 -7.656 9.415 1.00 1.20 C ATOM 2142 CG LEU A 130 2.038 -7.527 10.070 1.00 1.65 C ATOM 2143 CD1 LEU A 130 2.838 -8.831 9.962 1.00 2.47 C ATOM 2144 CD2 LEU A 130 2.864 -6.430 9.390 1.00 2.46 C ATOM 0 H LEU A 130 -1.846 -7.629 10.376 1.00 1.23 H new ATOM 0 HA LEU A 130 0.339 -5.641 10.125 1.00 1.20 H new ATOM 0 HB2 LEU A 130 0.177 -8.574 9.760 1.00 1.20 H new ATOM 0 HB3 LEU A 130 0.774 -7.746 8.335 1.00 1.20 H new ATOM 0 HG LEU A 130 1.860 -7.284 11.117 1.00 1.65 H new ATOM 0 HD11 LEU A 130 3.811 -8.701 10.436 1.00 2.47 H new ATOM 0 HD12 LEU A 130 2.295 -9.633 10.461 1.00 2.47 H new ATOM 0 HD13 LEU A 130 2.978 -9.086 8.912 1.00 2.47 H new ATOM 0 HD21 LEU A 130 3.839 -6.358 9.871 1.00 2.46 H new ATOM 0 HD22 LEU A 130 2.997 -6.675 8.336 1.00 2.46 H new ATOM 0 HD23 LEU A 130 2.344 -5.476 9.478 1.00 2.46 H new ATOM 2156 N GLY A 131 -0.370 -5.002 7.760 1.00 1.09 N ATOM 2157 CA GLY A 131 -0.840 -4.602 6.438 1.00 0.96 C ATOM 2158 C GLY A 131 0.175 -3.852 5.593 1.00 0.87 C ATOM 2159 O GLY A 131 1.265 -3.499 6.050 1.00 1.07 O ATOM 0 H GLY A 131 0.444 -4.484 8.092 1.00 1.09 H new ATOM 0 HA2 GLY A 131 -1.153 -5.494 5.895 1.00 0.96 H new ATOM 0 HA3 GLY A 131 -1.724 -3.975 6.558 1.00 0.96 H new ATOM 2163 N PHE A 132 -0.228 -3.607 4.349 1.00 0.67 N ATOM 2164 CA PHE A 132 0.572 -2.990 3.299 1.00 0.59 C ATOM 2165 C PHE A 132 -0.312 -2.078 2.437 1.00 0.48 C ATOM 2166 O PHE A 132 -1.510 -2.327 2.277 1.00 0.58 O ATOM 2167 CB PHE A 132 1.216 -4.072 2.402 1.00 0.74 C ATOM 2168 CG PHE A 132 1.780 -5.296 3.105 1.00 0.96 C ATOM 2169 CD1 PHE A 132 0.928 -6.362 3.457 1.00 1.96 C ATOM 2170 CD2 PHE A 132 3.156 -5.383 3.391 1.00 2.45 C ATOM 2171 CE1 PHE A 132 1.439 -7.489 4.121 1.00 2.66 C ATOM 2172 CE2 PHE A 132 3.670 -6.519 4.040 1.00 3.13 C ATOM 2173 CZ PHE A 132 2.810 -7.565 4.420 1.00 2.82 C ATOM 0 H PHE A 132 -1.168 -3.846 4.032 1.00 0.67 H new ATOM 0 HA PHE A 132 1.360 -2.401 3.768 1.00 0.59 H new ATOM 0 HB2 PHE A 132 0.468 -4.407 1.683 1.00 0.74 H new ATOM 0 HB3 PHE A 132 2.020 -3.607 1.832 1.00 0.74 H new ATOM 0 HD1 PHE A 132 -0.123 -6.312 3.215 1.00 1.96 H new ATOM 0 HD2 PHE A 132 3.817 -4.576 3.111 1.00 2.45 H new ATOM 0 HE1 PHE A 132 0.779 -8.297 4.402 1.00 2.66 H new ATOM 0 HE2 PHE A 132 4.728 -6.589 4.247 1.00 3.13 H new ATOM 0 HZ PHE A 132 3.203 -8.426 4.941 1.00 2.82 H new ATOM 2183 N LEU A 133 0.299 -1.081 1.798 1.00 0.46 N ATOM 2184 CA LEU A 133 -0.298 -0.395 0.652 1.00 0.40 C ATOM 2185 C LEU A 133 0.776 -0.013 -0.360 1.00 0.41 C ATOM 2186 O LEU A 133 1.957 0.099 -0.032 1.00 0.47 O ATOM 2187 CB LEU A 133 -1.238 0.755 1.091 1.00 0.44 C ATOM 2188 CG LEU A 133 -0.608 2.082 1.578 1.00 0.54 C ATOM 2189 CD1 LEU A 133 -0.030 2.963 0.454 1.00 1.49 C ATOM 2190 CD2 LEU A 133 -1.700 2.900 2.287 1.00 1.59 C ATOM 0 H LEU A 133 1.219 -0.727 2.059 1.00 0.46 H new ATOM 0 HA LEU A 133 -0.960 -1.081 0.124 1.00 0.40 H new ATOM 0 HB2 LEU A 133 -1.891 0.988 0.250 1.00 0.44 H new ATOM 0 HB3 LEU A 133 -1.873 0.376 1.892 1.00 0.44 H new ATOM 0 HG LEU A 133 0.221 1.807 2.230 1.00 0.54 H new ATOM 0 HD11 LEU A 133 0.391 3.872 0.884 1.00 1.49 H new ATOM 0 HD12 LEU A 133 0.752 2.415 -0.072 1.00 1.49 H new ATOM 0 HD13 LEU A 133 -0.823 3.226 -0.246 1.00 1.49 H new ATOM 0 HD21 LEU A 133 -1.278 3.841 2.639 1.00 1.59 H new ATOM 0 HD22 LEU A 133 -2.512 3.105 1.589 1.00 1.59 H new ATOM 0 HD23 LEU A 133 -2.085 2.335 3.136 1.00 1.59 H new ATOM 2202 N SER A 134 0.368 0.181 -1.604 1.00 0.41 N ATOM 2203 CA SER A 134 1.261 0.522 -2.705 1.00 0.46 C ATOM 2204 C SER A 134 0.553 1.425 -3.719 1.00 0.48 C ATOM 2205 O SER A 134 -0.655 1.304 -3.927 1.00 0.49 O ATOM 2206 CB SER A 134 1.767 -0.768 -3.369 1.00 0.51 C ATOM 2207 OG SER A 134 2.794 -0.497 -4.302 1.00 1.89 O ATOM 0 H SER A 134 -0.610 0.105 -1.884 1.00 0.41 H new ATOM 0 HA SER A 134 2.115 1.076 -2.316 1.00 0.46 H new ATOM 0 HB2 SER A 134 2.138 -1.451 -2.605 1.00 0.51 H new ATOM 0 HB3 SER A 134 0.940 -1.270 -3.871 1.00 0.51 H new ATOM 0 HG SER A 134 3.195 0.375 -4.103 1.00 1.89 H new ATOM 2213 N PHE A 135 1.305 2.315 -4.370 1.00 0.64 N ATOM 2214 CA PHE A 135 0.885 2.965 -5.607 1.00 0.73 C ATOM 2215 C PHE A 135 1.860 2.571 -6.719 1.00 0.71 C ATOM 2216 O PHE A 135 3.081 2.621 -6.538 1.00 0.65 O ATOM 2217 CB PHE A 135 0.817 4.497 -5.471 1.00 0.88 C ATOM 2218 CG PHE A 135 0.113 5.071 -4.252 1.00 0.90 C ATOM 2219 CD1 PHE A 135 -1.157 4.593 -3.873 1.00 2.09 C ATOM 2220 CD2 PHE A 135 0.700 6.132 -3.528 1.00 1.62 C ATOM 2221 CE1 PHE A 135 -1.828 5.150 -2.771 1.00 2.16 C ATOM 2222 CE2 PHE A 135 0.024 6.692 -2.430 1.00 1.69 C ATOM 2223 CZ PHE A 135 -1.237 6.202 -2.050 1.00 1.16 C ATOM 0 H PHE A 135 2.229 2.605 -4.049 1.00 0.64 H new ATOM 0 HA PHE A 135 -0.124 2.630 -5.847 1.00 0.73 H new ATOM 0 HB2 PHE A 135 1.838 4.879 -5.479 1.00 0.88 H new ATOM 0 HB3 PHE A 135 0.322 4.890 -6.359 1.00 0.88 H new ATOM 0 HD1 PHE A 135 -1.618 3.793 -4.433 1.00 2.09 H new ATOM 0 HD2 PHE A 135 1.668 6.513 -3.818 1.00 1.62 H new ATOM 0 HE1 PHE A 135 -2.796 4.770 -2.479 1.00 2.16 H new ATOM 0 HE2 PHE A 135 0.476 7.502 -1.876 1.00 1.69 H new ATOM 0 HZ PHE A 135 -1.752 6.634 -1.204 1.00 1.16 H new ATOM 2233 N SER A 136 1.320 2.236 -7.886 1.00 0.79 N ATOM 2234 CA SER A 136 2.089 2.180 -9.136 1.00 0.78 C ATOM 2235 C SER A 136 2.144 3.574 -9.773 1.00 0.81 C ATOM 2236 O SER A 136 1.382 4.458 -9.376 1.00 0.88 O ATOM 2237 CB SER A 136 1.420 1.209 -10.113 1.00 0.86 C ATOM 2238 OG SER A 136 1.403 -0.102 -9.583 1.00 1.96 O ATOM 0 H SER A 136 0.335 1.994 -7.998 1.00 0.79 H new ATOM 0 HA SER A 136 3.100 1.838 -8.915 1.00 0.78 H new ATOM 0 HB2 SER A 136 0.401 1.537 -10.318 1.00 0.86 H new ATOM 0 HB3 SER A 136 1.954 1.216 -11.063 1.00 0.86 H new ATOM 0 HG SER A 136 2.315 -0.371 -9.346 1.00 1.96 H new ATOM 2244 N ARG A 137 2.993 3.779 -10.786 1.00 0.87 N ATOM 2245 CA ARG A 137 3.017 5.010 -11.580 1.00 0.87 C ATOM 2246 C ARG A 137 3.596 4.835 -12.986 1.00 0.83 C ATOM 2247 O ARG A 137 4.571 4.109 -13.188 1.00 0.83 O ATOM 2248 CB ARG A 137 3.644 6.180 -10.807 1.00 0.88 C ATOM 2249 CG ARG A 137 5.111 5.978 -10.384 1.00 1.88 C ATOM 2250 CD ARG A 137 5.571 6.995 -9.326 1.00 2.10 C ATOM 2251 NE ARG A 137 5.786 8.346 -9.882 1.00 2.75 N ATOM 2252 CZ ARG A 137 4.909 9.341 -9.963 1.00 3.53 C ATOM 2253 NH1 ARG A 137 3.660 9.215 -9.574 1.00 4.15 N ATOM 2254 NH2 ARG A 137 5.282 10.505 -10.449 1.00 4.66 N ATOM 0 H ARG A 137 3.686 3.091 -11.079 1.00 0.87 H new ATOM 0 HA ARG A 137 1.973 5.272 -11.752 1.00 0.87 H new ATOM 0 HB2 ARG A 137 3.581 7.077 -11.424 1.00 0.88 H new ATOM 0 HB3 ARG A 137 3.048 6.365 -9.914 1.00 0.88 H new ATOM 0 HG2 ARG A 137 5.235 4.969 -9.990 1.00 1.88 H new ATOM 0 HG3 ARG A 137 5.752 6.059 -11.262 1.00 1.88 H new ATOM 0 HD2 ARG A 137 4.825 7.049 -8.533 1.00 2.10 H new ATOM 0 HD3 ARG A 137 6.497 6.644 -8.870 1.00 2.10 H new ATOM 0 HE ARG A 137 6.719 8.538 -10.247 1.00 2.75 H new ATOM 0 HH11 ARG A 137 3.332 8.328 -9.193 1.00 4.15 H new ATOM 0 HH12 ARG A 137 3.019 10.004 -9.653 1.00 4.15 H new ATOM 0 HH21 ARG A 137 6.243 10.642 -10.763 1.00 4.66 H new ATOM 0 HH22 ARG A 137 4.610 11.270 -10.512 1.00 4.66 H new ATOM 2268 N CYS A 138 2.995 5.543 -13.948 1.00 0.82 N ATOM 2269 CA CYS A 138 3.337 5.521 -15.376 1.00 0.90 C ATOM 2270 C CYS A 138 4.646 6.255 -15.700 1.00 1.00 C ATOM 2271 O CYS A 138 5.278 5.983 -16.722 1.00 1.12 O ATOM 2272 CB CYS A 138 2.150 6.133 -16.141 1.00 0.90 C ATOM 2273 SG CYS A 138 1.882 7.865 -15.642 1.00 2.06 S ATOM 0 H CYS A 138 2.222 6.176 -13.744 1.00 0.82 H new ATOM 0 HA CYS A 138 3.512 4.490 -15.682 1.00 0.90 H new ATOM 0 HB2 CYS A 138 2.339 6.084 -17.213 1.00 0.90 H new ATOM 0 HB3 CYS A 138 1.249 5.551 -15.949 1.00 0.90 H new ATOM 0 HG CYS A 138 1.311 7.897 -14.474 1.00 2.06 H new ATOM 2279 N SER A 139 5.061 7.178 -14.836 1.00 1.01 N ATOM 2280 CA SER A 139 6.337 7.883 -14.940 1.00 1.14 C ATOM 2281 C SER A 139 7.506 6.930 -14.656 1.00 1.04 C ATOM 2282 O SER A 139 7.558 6.279 -13.612 1.00 1.11 O ATOM 2283 CB SER A 139 6.344 9.073 -13.976 1.00 1.27 C ATOM 2284 OG SER A 139 7.512 9.854 -14.138 1.00 2.82 O ATOM 0 H SER A 139 4.509 7.463 -14.027 1.00 1.01 H new ATOM 0 HA SER A 139 6.460 8.257 -15.956 1.00 1.14 H new ATOM 0 HB2 SER A 139 5.463 9.691 -14.150 1.00 1.27 H new ATOM 0 HB3 SER A 139 6.283 8.713 -12.949 1.00 1.27 H new ATOM 0 HG SER A 139 7.491 10.608 -13.512 1.00 2.82 H new ATOM 2290 N ALA A 140 8.467 6.860 -15.582 1.00 0.98 N ATOM 2291 CA ALA A 140 9.624 5.950 -15.550 1.00 1.01 C ATOM 2292 C ALA A 140 10.748 6.403 -14.586 1.00 0.91 C ATOM 2293 O ALA A 140 11.909 6.012 -14.730 1.00 1.08 O ATOM 2294 CB ALA A 140 10.125 5.809 -16.995 1.00 1.10 C ATOM 0 H ALA A 140 8.463 7.458 -16.408 1.00 0.98 H new ATOM 0 HA ALA A 140 9.311 4.986 -15.150 1.00 1.01 H new ATOM 0 HB1 ALA A 140 10.986 5.140 -17.018 1.00 1.10 H new ATOM 0 HB2 ALA A 140 9.330 5.399 -17.617 1.00 1.10 H new ATOM 0 HB3 ALA A 140 10.416 6.788 -17.376 1.00 1.10 H new ATOM 2300 N ARG A 141 10.418 7.294 -13.649 1.00 0.80 N ATOM 2301 CA ARG A 141 11.349 8.109 -12.871 1.00 0.81 C ATOM 2302 C ARG A 141 11.986 7.351 -11.697 1.00 0.84 C ATOM 2303 O ARG A 141 11.350 6.541 -11.019 1.00 0.91 O ATOM 2304 CB ARG A 141 10.599 9.375 -12.404 1.00 0.96 C ATOM 2305 CG ARG A 141 10.647 10.567 -13.382 1.00 1.08 C ATOM 2306 CD ARG A 141 10.634 10.229 -14.882 1.00 1.42 C ATOM 2307 NE ARG A 141 10.577 11.454 -15.701 1.00 2.22 N ATOM 2308 CZ ARG A 141 11.112 11.634 -16.905 1.00 3.13 C ATOM 2309 NH1 ARG A 141 11.765 10.680 -17.536 1.00 3.93 N ATOM 2310 NH2 ARG A 141 10.997 12.803 -17.498 1.00 3.80 N ATOM 0 H ARG A 141 9.445 7.475 -13.401 1.00 0.80 H new ATOM 0 HA ARG A 141 12.191 8.384 -13.507 1.00 0.81 H new ATOM 0 HB2 ARG A 141 9.556 9.114 -12.225 1.00 0.96 H new ATOM 0 HB3 ARG A 141 11.016 9.693 -11.449 1.00 0.96 H new ATOM 0 HG2 ARG A 141 9.796 11.215 -13.172 1.00 1.08 H new ATOM 0 HG3 ARG A 141 11.547 11.145 -13.171 1.00 1.08 H new ATOM 0 HD2 ARG A 141 11.527 9.658 -15.137 1.00 1.42 H new ATOM 0 HD3 ARG A 141 9.776 9.596 -15.108 1.00 1.42 H new ATOM 0 HE ARG A 141 10.074 12.247 -15.302 1.00 2.22 H new ATOM 0 HH11 ARG A 141 11.875 9.764 -17.102 1.00 3.93 H new ATOM 0 HH12 ARG A 141 12.161 10.858 -18.459 1.00 3.93 H new ATOM 0 HH21 ARG A 141 10.500 13.563 -17.034 1.00 3.80 H new ATOM 0 HH22 ARG A 141 11.405 12.949 -18.422 1.00 3.80 H new ATOM 2324 N GLU A 142 13.258 7.656 -11.448 1.00 0.84 N ATOM 2325 CA GLU A 142 14.020 7.195 -10.282 1.00 0.79 C ATOM 2326 C GLU A 142 13.453 7.810 -8.987 1.00 0.75 C ATOM 2327 O GLU A 142 12.930 8.926 -8.995 1.00 0.81 O ATOM 2328 CB GLU A 142 15.498 7.589 -10.458 1.00 0.84 C ATOM 2329 CG GLU A 142 16.455 6.841 -9.518 1.00 1.25 C ATOM 2330 CD GLU A 142 17.848 7.485 -9.529 1.00 1.98 C ATOM 2331 OE1 GLU A 142 18.682 7.127 -10.395 1.00 2.49 O ATOM 2332 OE2 GLU A 142 18.118 8.354 -8.666 1.00 3.08 O ATOM 0 H GLU A 142 13.807 8.249 -12.070 1.00 0.84 H new ATOM 0 HA GLU A 142 13.939 6.111 -10.205 1.00 0.79 H new ATOM 0 HB2 GLU A 142 15.795 7.399 -11.490 1.00 0.84 H new ATOM 0 HB3 GLU A 142 15.601 8.661 -10.289 1.00 0.84 H new ATOM 0 HG2 GLU A 142 16.055 6.848 -8.504 1.00 1.25 H new ATOM 0 HG3 GLU A 142 16.530 5.797 -9.824 1.00 1.25 H new ATOM 2339 N ILE A 143 13.591 7.104 -7.861 1.00 0.75 N ATOM 2340 CA ILE A 143 13.249 7.610 -6.524 1.00 0.76 C ATOM 2341 C ILE A 143 14.546 7.760 -5.689 1.00 0.77 C ATOM 2342 O ILE A 143 15.158 6.737 -5.364 1.00 0.89 O ATOM 2343 CB ILE A 143 12.224 6.674 -5.844 1.00 0.93 C ATOM 2344 CG1 ILE A 143 10.973 6.438 -6.726 1.00 0.99 C ATOM 2345 CG2 ILE A 143 11.834 7.302 -4.497 1.00 1.47 C ATOM 2346 CD1 ILE A 143 9.919 5.544 -6.063 1.00 1.52 C ATOM 0 H ILE A 143 13.949 6.149 -7.850 1.00 0.75 H new ATOM 0 HA ILE A 143 12.781 8.591 -6.604 1.00 0.76 H new ATOM 0 HB ILE A 143 12.677 5.694 -5.693 1.00 0.93 H new ATOM 0 HG12 ILE A 143 10.522 7.400 -6.968 1.00 0.99 H new ATOM 0 HG13 ILE A 143 11.282 5.985 -7.668 1.00 0.99 H new ATOM 0 HG21 ILE A 143 11.110 6.662 -3.993 1.00 1.47 H new ATOM 0 HG22 ILE A 143 12.722 7.406 -3.873 1.00 1.47 H new ATOM 0 HG23 ILE A 143 11.393 8.284 -4.668 1.00 1.47 H new ATOM 0 HD11 ILE A 143 9.071 5.421 -6.736 1.00 1.52 H new ATOM 0 HD12 ILE A 143 10.354 4.569 -5.846 1.00 1.52 H new ATOM 0 HD13 ILE A 143 9.582 6.006 -5.135 1.00 1.52 H new ATOM 2358 N PRO A 144 14.977 8.990 -5.328 1.00 0.93 N ATOM 2359 CA PRO A 144 16.224 9.235 -4.593 1.00 1.22 C ATOM 2360 C PRO A 144 16.087 9.194 -3.053 1.00 1.30 C ATOM 2361 O PRO A 144 17.089 9.336 -2.356 1.00 2.49 O ATOM 2362 CB PRO A 144 16.683 10.614 -5.079 1.00 1.63 C ATOM 2363 CG PRO A 144 15.372 11.356 -5.324 1.00 1.56 C ATOM 2364 CD PRO A 144 14.438 10.255 -5.825 1.00 1.16 C ATOM 0 HA PRO A 144 16.942 8.440 -4.793 1.00 1.22 H new ATOM 0 HB2 PRO A 144 17.297 11.119 -4.334 1.00 1.63 H new ATOM 0 HB3 PRO A 144 17.280 10.542 -5.988 1.00 1.63 H new ATOM 0 HG2 PRO A 144 14.995 11.820 -4.413 1.00 1.56 H new ATOM 0 HG3 PRO A 144 15.490 12.150 -6.061 1.00 1.56 H new ATOM 0 HD2 PRO A 144 13.423 10.413 -5.461 1.00 1.16 H new ATOM 0 HD3 PRO A 144 14.390 10.254 -6.914 1.00 1.16 H new ATOM 2372 N ILE A 145 14.872 9.002 -2.517 1.00 1.27 N ATOM 2373 CA ILE A 145 14.526 8.979 -1.071 1.00 1.12 C ATOM 2374 C ILE A 145 13.071 8.551 -0.849 1.00 1.04 C ATOM 2375 O ILE A 145 12.831 7.743 0.045 1.00 1.88 O ATOM 2376 CB ILE A 145 14.880 10.313 -0.342 1.00 1.26 C ATOM 2377 CG1 ILE A 145 14.426 10.382 1.144 1.00 1.30 C ATOM 2378 CG2 ILE A 145 14.478 11.588 -1.108 1.00 1.57 C ATOM 2379 CD1 ILE A 145 12.989 10.848 1.464 1.00 1.58 C ATOM 0 H ILE A 145 14.053 8.849 -3.106 1.00 1.27 H new ATOM 0 HA ILE A 145 15.156 8.219 -0.608 1.00 1.12 H new ATOM 0 HB ILE A 145 15.970 10.289 -0.330 1.00 1.26 H new ATOM 0 HG12 ILE A 145 14.554 9.389 1.574 1.00 1.30 H new ATOM 0 HG13 ILE A 145 15.113 11.047 1.668 1.00 1.30 H new ATOM 0 HG21 ILE A 145 14.762 12.466 -0.528 1.00 1.57 H new ATOM 0 HG22 ILE A 145 14.988 11.610 -2.071 1.00 1.57 H new ATOM 0 HG23 ILE A 145 13.400 11.592 -1.268 1.00 1.57 H new ATOM 0 HD11 ILE A 145 12.835 10.839 2.543 1.00 1.58 H new ATOM 0 HD12 ILE A 145 12.842 11.859 1.085 1.00 1.58 H new ATOM 0 HD13 ILE A 145 12.274 10.175 0.990 1.00 1.58 H new ATOM 2391 N LEU A 146 12.161 9.094 -1.679 1.00 0.71 N ATOM 2392 CA LEU A 146 10.682 8.990 -1.750 1.00 0.66 C ATOM 2393 C LEU A 146 10.050 10.396 -1.837 1.00 0.73 C ATOM 2394 O LEU A 146 8.976 10.544 -2.400 1.00 1.15 O ATOM 2395 CB LEU A 146 10.088 8.077 -0.649 1.00 0.84 C ATOM 2396 CG LEU A 146 8.561 7.871 -0.632 1.00 0.99 C ATOM 2397 CD1 LEU A 146 8.009 7.403 -1.979 1.00 2.12 C ATOM 2398 CD2 LEU A 146 8.198 6.775 0.381 1.00 1.87 C ATOM 0 H LEU A 146 12.491 9.706 -2.426 1.00 0.71 H new ATOM 0 HA LEU A 146 10.415 8.476 -2.673 1.00 0.66 H new ATOM 0 HB2 LEU A 146 10.557 7.097 -0.738 1.00 0.84 H new ATOM 0 HB3 LEU A 146 10.382 8.485 0.318 1.00 0.84 H new ATOM 0 HG LEU A 146 8.131 8.840 -0.378 1.00 0.99 H new ATOM 0 HD11 LEU A 146 6.929 7.275 -1.905 1.00 2.12 H new ATOM 0 HD12 LEU A 146 8.235 8.147 -2.743 1.00 2.12 H new ATOM 0 HD13 LEU A 146 8.469 6.453 -2.250 1.00 2.12 H new ATOM 0 HD21 LEU A 146 7.117 6.632 0.391 1.00 1.87 H new ATOM 0 HD22 LEU A 146 8.685 5.842 0.098 1.00 1.87 H new ATOM 0 HD23 LEU A 146 8.533 7.072 1.375 1.00 1.87 H new ATOM 2410 N SER A 147 10.768 11.411 -1.347 1.00 0.59 N ATOM 2411 CA SER A 147 10.440 12.847 -1.202 1.00 0.61 C ATOM 2412 C SER A 147 10.020 13.090 0.247 1.00 0.65 C ATOM 2413 O SER A 147 9.258 12.306 0.807 1.00 0.74 O ATOM 2414 CB SER A 147 9.362 13.385 -2.161 1.00 0.65 C ATOM 2415 OG SER A 147 9.127 14.775 -1.960 1.00 2.46 O ATOM 0 H SER A 147 11.709 11.231 -0.998 1.00 0.59 H new ATOM 0 HA SER A 147 11.340 13.399 -1.474 1.00 0.61 H new ATOM 0 HB2 SER A 147 9.673 13.213 -3.192 1.00 0.65 H new ATOM 0 HB3 SER A 147 8.434 12.833 -2.012 1.00 0.65 H new ATOM 0 HG SER A 147 8.439 15.084 -2.586 1.00 2.46 H new ATOM 2421 N ASP A 148 10.499 14.160 0.883 1.00 0.71 N ATOM 2422 CA ASP A 148 10.224 14.429 2.296 1.00 0.86 C ATOM 2423 C ASP A 148 8.724 14.540 2.615 1.00 0.75 C ATOM 2424 O ASP A 148 8.300 14.090 3.679 1.00 0.84 O ATOM 2425 CB ASP A 148 10.976 15.699 2.729 1.00 1.13 C ATOM 2426 CG ASP A 148 10.670 16.915 1.835 1.00 2.61 C ATOM 2427 OD1 ASP A 148 11.335 17.056 0.780 1.00 3.76 O ATOM 2428 OD2 ASP A 148 9.777 17.721 2.188 1.00 3.68 O ATOM 0 H ASP A 148 11.087 14.863 0.435 1.00 0.71 H new ATOM 0 HA ASP A 148 10.582 13.572 2.867 1.00 0.86 H new ATOM 0 HB2 ASP A 148 10.712 15.937 3.759 1.00 1.13 H new ATOM 0 HB3 ASP A 148 12.048 15.503 2.712 1.00 1.13 H new ATOM 2433 N GLU A 149 7.915 15.065 1.688 1.00 0.65 N ATOM 2434 CA GLU A 149 6.465 15.131 1.860 1.00 0.65 C ATOM 2435 C GLU A 149 5.835 13.759 1.616 1.00 0.62 C ATOM 2436 O GLU A 149 5.132 13.270 2.495 1.00 0.85 O ATOM 2437 CB GLU A 149 5.858 16.240 0.979 1.00 0.78 C ATOM 2438 CG GLU A 149 4.386 16.572 1.317 1.00 1.70 C ATOM 2439 CD GLU A 149 3.322 15.996 0.360 1.00 2.41 C ATOM 2440 OE1 GLU A 149 3.610 15.076 -0.437 1.00 3.25 O ATOM 2441 OE2 GLU A 149 2.161 16.475 0.406 1.00 3.06 O ATOM 0 H GLU A 149 8.247 15.453 0.805 1.00 0.65 H new ATOM 0 HA GLU A 149 6.239 15.401 2.891 1.00 0.65 H new ATOM 0 HB2 GLU A 149 6.458 17.144 1.085 1.00 0.78 H new ATOM 0 HB3 GLU A 149 5.921 15.936 -0.066 1.00 0.78 H new ATOM 0 HG2 GLU A 149 4.175 16.209 2.323 1.00 1.70 H new ATOM 0 HG3 GLU A 149 4.276 17.656 1.340 1.00 1.70 H new ATOM 2448 N LEU A 150 6.135 13.090 0.493 1.00 0.58 N ATOM 2449 CA LEU A 150 5.500 11.816 0.139 1.00 0.54 C ATOM 2450 C LEU A 150 5.925 10.689 1.083 1.00 0.56 C ATOM 2451 O LEU A 150 5.098 9.840 1.384 1.00 0.61 O ATOM 2452 CB LEU A 150 5.759 11.474 -1.344 1.00 0.58 C ATOM 2453 CG LEU A 150 5.231 10.096 -1.822 1.00 0.63 C ATOM 2454 CD1 LEU A 150 3.711 9.922 -1.694 1.00 1.55 C ATOM 2455 CD2 LEU A 150 5.595 9.863 -3.294 1.00 1.81 C ATOM 0 H LEU A 150 6.820 13.415 -0.190 1.00 0.58 H new ATOM 0 HA LEU A 150 4.423 11.926 0.265 1.00 0.54 H new ATOM 0 HB2 LEU A 150 5.305 12.250 -1.961 1.00 0.58 H new ATOM 0 HB3 LEU A 150 6.833 11.512 -1.524 1.00 0.58 H new ATOM 0 HG LEU A 150 5.710 9.372 -1.162 1.00 0.63 H new ATOM 0 HD11 LEU A 150 3.427 8.932 -2.050 1.00 1.55 H new ATOM 0 HD12 LEU A 150 3.419 10.030 -0.649 1.00 1.55 H new ATOM 0 HD13 LEU A 150 3.206 10.681 -2.292 1.00 1.55 H new ATOM 0 HD21 LEU A 150 5.217 8.892 -3.613 1.00 1.81 H new ATOM 0 HD22 LEU A 150 5.148 10.645 -3.907 1.00 1.81 H new ATOM 0 HD23 LEU A 150 6.679 9.886 -3.409 1.00 1.81 H new ATOM 2467 N GLN A 151 7.168 10.644 1.564 1.00 0.56 N ATOM 2468 CA GLN A 151 7.611 9.619 2.516 1.00 0.58 C ATOM 2469 C GLN A 151 6.863 9.716 3.852 1.00 0.57 C ATOM 2470 O GLN A 151 6.329 8.717 4.343 1.00 0.60 O ATOM 2471 CB GLN A 151 9.154 9.589 2.611 1.00 0.68 C ATOM 2472 CG GLN A 151 9.837 10.312 3.786 1.00 0.80 C ATOM 2473 CD GLN A 151 9.879 9.515 5.100 1.00 1.20 C ATOM 2474 OE1 GLN A 151 9.349 8.421 5.242 1.00 1.68 O ATOM 2475 NE2 GLN A 151 10.555 10.014 6.114 1.00 1.95 N ATOM 0 H GLN A 151 7.895 11.312 1.308 1.00 0.56 H new ATOM 0 HA GLN A 151 7.334 8.634 2.140 1.00 0.58 H new ATOM 0 HB2 GLN A 151 9.463 8.544 2.641 1.00 0.68 H new ATOM 0 HB3 GLN A 151 9.550 10.012 1.688 1.00 0.68 H new ATOM 0 HG2 GLN A 151 10.858 10.561 3.496 1.00 0.80 H new ATOM 0 HG3 GLN A 151 9.318 11.253 3.965 1.00 0.80 H new ATOM 0 HE21 GLN A 151 11.008 10.924 6.027 1.00 1.95 H new ATOM 0 HE22 GLN A 151 10.626 9.491 6.987 1.00 1.95 H new ATOM 2484 N LEU A 152 6.757 10.930 4.408 1.00 0.58 N ATOM 2485 CA LEU A 152 6.090 11.148 5.693 1.00 0.62 C ATOM 2486 C LEU A 152 4.578 10.963 5.536 1.00 0.57 C ATOM 2487 O LEU A 152 3.941 10.291 6.346 1.00 0.59 O ATOM 2488 CB LEU A 152 6.468 12.540 6.237 1.00 0.68 C ATOM 2489 CG LEU A 152 7.949 12.679 6.665 1.00 0.77 C ATOM 2490 CD1 LEU A 152 8.245 14.141 7.036 1.00 0.84 C ATOM 2491 CD2 LEU A 152 8.275 11.798 7.883 1.00 0.88 C ATOM 0 H LEU A 152 7.128 11.780 3.983 1.00 0.58 H new ATOM 0 HA LEU A 152 6.424 10.411 6.423 1.00 0.62 H new ATOM 0 HB2 LEU A 152 6.252 13.286 5.473 1.00 0.68 H new ATOM 0 HB3 LEU A 152 5.832 12.767 7.093 1.00 0.68 H new ATOM 0 HG LEU A 152 8.563 12.358 5.824 1.00 0.77 H new ATOM 0 HD11 LEU A 152 9.288 14.236 7.337 1.00 0.84 H new ATOM 0 HD12 LEU A 152 8.056 14.781 6.174 1.00 0.84 H new ATOM 0 HD13 LEU A 152 7.600 14.445 7.861 1.00 0.84 H new ATOM 0 HD21 LEU A 152 9.324 11.924 8.153 1.00 0.88 H new ATOM 0 HD22 LEU A 152 7.646 12.092 8.724 1.00 0.88 H new ATOM 0 HD23 LEU A 152 8.086 10.753 7.637 1.00 0.88 H new ATOM 2503 N LYS A 153 4.013 11.487 4.449 1.00 0.53 N ATOM 2504 CA LYS A 153 2.622 11.292 4.044 1.00 0.54 C ATOM 2505 C LYS A 153 2.283 9.824 3.760 1.00 0.53 C ATOM 2506 O LYS A 153 1.220 9.393 4.175 1.00 0.57 O ATOM 2507 CB LYS A 153 2.368 12.211 2.851 1.00 0.72 C ATOM 2508 CG LYS A 153 0.919 12.364 2.379 1.00 1.12 C ATOM 2509 CD LYS A 153 0.960 13.482 1.329 1.00 1.70 C ATOM 2510 CE LYS A 153 -0.390 13.857 0.724 1.00 2.52 C ATOM 2511 NZ LYS A 153 -0.201 14.945 -0.268 1.00 3.31 N ATOM 0 H LYS A 153 4.531 12.081 3.802 1.00 0.53 H new ATOM 0 HA LYS A 153 1.952 11.556 4.862 1.00 0.54 H new ATOM 0 HB2 LYS A 153 2.748 13.202 3.101 1.00 0.72 H new ATOM 0 HB3 LYS A 153 2.960 11.846 2.012 1.00 0.72 H new ATOM 0 HG2 LYS A 153 0.543 11.435 1.952 1.00 1.12 H new ATOM 0 HG3 LYS A 153 0.259 12.624 3.207 1.00 1.12 H new ATOM 0 HD2 LYS A 153 1.395 14.371 1.786 1.00 1.70 H new ATOM 0 HD3 LYS A 153 1.629 13.178 0.524 1.00 1.70 H new ATOM 0 HE2 LYS A 153 -0.840 12.988 0.245 1.00 2.52 H new ATOM 0 HE3 LYS A 153 -1.075 14.180 1.508 1.00 2.52 H new ATOM 0 HZ1 LYS A 153 -1.036 15.565 -0.267 1.00 3.31 H new ATOM 0 HZ2 LYS A 153 0.642 15.500 -0.018 1.00 3.31 H new ATOM 0 HZ3 LYS A 153 -0.076 14.534 -1.215 1.00 3.31 H new ATOM 2525 N MET A 154 3.162 9.016 3.154 1.00 0.52 N ATOM 2526 CA MET A 154 2.966 7.564 2.996 1.00 0.55 C ATOM 2527 C MET A 154 2.918 6.857 4.349 1.00 0.57 C ATOM 2528 O MET A 154 2.030 6.035 4.563 1.00 0.63 O ATOM 2529 CB MET A 154 4.074 6.956 2.114 1.00 0.55 C ATOM 2530 CG MET A 154 3.786 7.131 0.619 1.00 1.57 C ATOM 2531 SD MET A 154 2.609 5.948 -0.091 1.00 2.29 S ATOM 2532 CE MET A 154 3.656 4.471 -0.159 1.00 0.98 C ATOM 0 H MET A 154 4.038 9.352 2.755 1.00 0.52 H new ATOM 0 HA MET A 154 2.005 7.414 2.503 1.00 0.55 H new ATOM 0 HB2 MET A 154 5.027 7.426 2.356 1.00 0.55 H new ATOM 0 HB3 MET A 154 4.175 5.895 2.341 1.00 0.55 H new ATOM 0 HG2 MET A 154 3.405 8.139 0.455 1.00 1.57 H new ATOM 0 HG3 MET A 154 4.727 7.053 0.074 1.00 1.57 H new ATOM 0 HE1 MET A 154 3.129 3.676 -0.687 1.00 0.98 H new ATOM 0 HE2 MET A 154 4.581 4.705 -0.685 1.00 0.98 H new ATOM 0 HE3 MET A 154 3.888 4.143 0.854 1.00 0.98 H new ATOM 2542 N GLN A 155 3.821 7.191 5.277 1.00 0.56 N ATOM 2543 CA GLN A 155 3.818 6.620 6.630 1.00 0.61 C ATOM 2544 C GLN A 155 2.554 7.009 7.421 1.00 0.60 C ATOM 2545 O GLN A 155 1.970 6.174 8.112 1.00 0.66 O ATOM 2546 CB GLN A 155 5.114 7.030 7.349 1.00 0.68 C ATOM 2547 CG GLN A 155 5.256 6.354 8.724 1.00 0.94 C ATOM 2548 CD GLN A 155 6.596 6.668 9.394 1.00 1.43 C ATOM 2549 OE1 GLN A 155 7.411 5.794 9.660 1.00 2.56 O ATOM 2550 NE2 GLN A 155 6.885 7.920 9.693 1.00 2.63 N ATOM 0 H GLN A 155 4.572 7.862 5.114 1.00 0.56 H new ATOM 0 HA GLN A 155 3.789 5.533 6.559 1.00 0.61 H new ATOM 0 HB2 GLN A 155 5.970 6.768 6.727 1.00 0.68 H new ATOM 0 HB3 GLN A 155 5.130 8.113 7.475 1.00 0.68 H new ATOM 0 HG2 GLN A 155 4.443 6.682 9.372 1.00 0.94 H new ATOM 0 HG3 GLN A 155 5.155 5.275 8.607 1.00 0.94 H new ATOM 0 HE21 GLN A 155 6.219 8.662 9.479 1.00 2.63 H new ATOM 0 HE22 GLN A 155 7.775 8.146 10.138 1.00 2.63 H new ATOM 2559 N LEU A 156 2.093 8.254 7.274 1.00 0.56 N ATOM 2560 CA LEU A 156 0.820 8.748 7.807 1.00 0.59 C ATOM 2561 C LEU A 156 -0.352 7.964 7.200 1.00 0.58 C ATOM 2562 O LEU A 156 -1.138 7.343 7.920 1.00 0.61 O ATOM 2563 CB LEU A 156 0.792 10.272 7.527 1.00 0.70 C ATOM 2564 CG LEU A 156 -0.458 11.111 7.870 1.00 0.90 C ATOM 2565 CD1 LEU A 156 -1.438 11.295 6.702 1.00 1.64 C ATOM 2566 CD2 LEU A 156 -1.239 10.577 9.064 1.00 1.52 C ATOM 0 H LEU A 156 2.612 8.969 6.764 1.00 0.56 H new ATOM 0 HA LEU A 156 0.721 8.593 8.881 1.00 0.59 H new ATOM 0 HB2 LEU A 156 1.632 10.713 8.064 1.00 0.70 H new ATOM 0 HB3 LEU A 156 0.987 10.407 6.463 1.00 0.70 H new ATOM 0 HG LEU A 156 -0.030 12.082 8.119 1.00 0.90 H new ATOM 0 HD11 LEU A 156 -2.286 11.896 7.030 1.00 1.64 H new ATOM 0 HD12 LEU A 156 -0.932 11.800 5.879 1.00 1.64 H new ATOM 0 HD13 LEU A 156 -1.792 10.320 6.367 1.00 1.64 H new ATOM 0 HD21 LEU A 156 -2.104 11.215 9.248 1.00 1.52 H new ATOM 0 HD22 LEU A 156 -1.575 9.562 8.854 1.00 1.52 H new ATOM 0 HD23 LEU A 156 -0.598 10.572 9.945 1.00 1.52 H new ATOM 2578 N LEU A 157 -0.439 7.953 5.869 1.00 0.60 N ATOM 2579 CA LEU A 157 -1.528 7.342 5.122 1.00 0.71 C ATOM 2580 C LEU A 157 -1.601 5.839 5.363 1.00 0.80 C ATOM 2581 O LEU A 157 -2.689 5.351 5.626 1.00 0.88 O ATOM 2582 CB LEU A 157 -1.405 7.698 3.627 1.00 0.84 C ATOM 2583 CG LEU A 157 -2.758 7.832 2.913 1.00 0.98 C ATOM 2584 CD1 LEU A 157 -3.468 9.128 3.343 1.00 1.73 C ATOM 2585 CD2 LEU A 157 -2.516 7.863 1.398 1.00 2.00 C ATOM 0 H LEU A 157 0.267 8.381 5.270 1.00 0.60 H new ATOM 0 HA LEU A 157 -2.473 7.748 5.483 1.00 0.71 H new ATOM 0 HB2 LEU A 157 -0.858 8.636 3.529 1.00 0.84 H new ATOM 0 HB3 LEU A 157 -0.814 6.931 3.127 1.00 0.84 H new ATOM 0 HG LEU A 157 -3.390 6.984 3.179 1.00 0.98 H new ATOM 0 HD11 LEU A 157 -4.425 9.207 2.827 1.00 1.73 H new ATOM 0 HD12 LEU A 157 -3.636 9.111 4.420 1.00 1.73 H new ATOM 0 HD13 LEU A 157 -2.846 9.986 3.087 1.00 1.73 H new ATOM 0 HD21 LEU A 157 -3.470 7.958 0.879 1.00 2.00 H new ATOM 0 HD22 LEU A 157 -1.881 8.713 1.148 1.00 2.00 H new ATOM 0 HD23 LEU A 157 -2.025 6.940 1.089 1.00 2.00 H new ATOM 2597 N VAL A 158 -0.477 5.115 5.355 1.00 0.81 N ATOM 2598 CA VAL A 158 -0.470 3.676 5.674 1.00 0.90 C ATOM 2599 C VAL A 158 -0.924 3.407 7.107 1.00 0.88 C ATOM 2600 O VAL A 158 -1.729 2.501 7.300 1.00 0.96 O ATOM 2601 CB VAL A 158 0.855 2.944 5.340 1.00 0.95 C ATOM 2602 CG1 VAL A 158 1.968 3.193 6.367 1.00 0.90 C ATOM 2603 CG2 VAL A 158 0.619 1.424 5.231 1.00 1.05 C ATOM 0 H VAL A 158 0.442 5.498 5.132 1.00 0.81 H new ATOM 0 HA VAL A 158 -1.206 3.239 4.999 1.00 0.90 H new ATOM 0 HB VAL A 158 1.186 3.355 4.386 1.00 0.95 H new ATOM 0 HG11 VAL A 158 2.865 2.650 6.070 1.00 0.90 H new ATOM 0 HG12 VAL A 158 2.188 4.260 6.414 1.00 0.90 H new ATOM 0 HG13 VAL A 158 1.642 2.846 7.348 1.00 0.90 H new ATOM 0 HG21 VAL A 158 1.560 0.926 4.996 1.00 1.05 H new ATOM 0 HG22 VAL A 158 0.235 1.046 6.179 1.00 1.05 H new ATOM 0 HG23 VAL A 158 -0.105 1.224 4.441 1.00 1.05 H new ATOM 2613 N ARG A 159 -0.490 4.199 8.101 1.00 0.80 N ATOM 2614 CA ARG A 159 -0.928 3.972 9.480 1.00 0.81 C ATOM 2615 C ARG A 159 -2.432 4.143 9.602 1.00 0.78 C ATOM 2616 O ARG A 159 -3.101 3.260 10.128 1.00 0.87 O ATOM 2617 CB ARG A 159 -0.182 4.876 10.484 1.00 0.72 C ATOM 2618 CG ARG A 159 -0.512 4.510 11.951 1.00 1.17 C ATOM 2619 CD ARG A 159 -1.612 5.356 12.626 1.00 1.47 C ATOM 2620 NE ARG A 159 -1.153 6.707 12.978 1.00 2.25 N ATOM 2621 CZ ARG A 159 -0.403 7.040 14.020 1.00 2.60 C ATOM 2622 NH1 ARG A 159 0.132 6.153 14.836 1.00 2.75 N ATOM 2623 NH2 ARG A 159 -0.190 8.311 14.256 1.00 4.15 N ATOM 0 H ARG A 159 0.149 4.984 7.977 1.00 0.80 H new ATOM 0 HA ARG A 159 -0.677 2.942 9.734 1.00 0.81 H new ATOM 0 HB2 ARG A 159 0.892 4.789 10.322 1.00 0.72 H new ATOM 0 HB3 ARG A 159 -0.448 5.917 10.302 1.00 0.72 H new ATOM 0 HG2 ARG A 159 -0.814 3.463 11.985 1.00 1.17 H new ATOM 0 HG3 ARG A 159 0.400 4.598 12.541 1.00 1.17 H new ATOM 0 HD2 ARG A 159 -2.469 5.431 11.957 1.00 1.47 H new ATOM 0 HD3 ARG A 159 -1.955 4.847 13.527 1.00 1.47 H new ATOM 0 HE ARG A 159 -1.440 7.465 12.359 1.00 2.25 H new ATOM 0 HH11 ARG A 159 -0.024 5.157 14.680 1.00 2.75 H new ATOM 0 HH12 ARG A 159 0.701 6.463 15.623 1.00 2.75 H new ATOM 0 HH21 ARG A 159 -0.597 9.019 13.645 1.00 4.15 H new ATOM 0 HH22 ARG A 159 0.383 8.593 15.051 1.00 4.15 H new ATOM 2637 N GLU A 160 -2.956 5.266 9.128 1.00 0.68 N ATOM 2638 CA GLU A 160 -4.359 5.620 9.340 1.00 0.68 C ATOM 2639 C GLU A 160 -5.313 4.951 8.344 1.00 0.93 C ATOM 2640 O GLU A 160 -6.426 4.624 8.739 1.00 1.10 O ATOM 2641 CB GLU A 160 -4.491 7.149 9.401 1.00 0.62 C ATOM 2642 CG GLU A 160 -4.328 7.640 10.847 1.00 1.32 C ATOM 2643 CD GLU A 160 -3.499 8.917 10.984 1.00 1.85 C ATOM 2644 OE1 GLU A 160 -3.945 9.964 10.469 1.00 2.85 O ATOM 2645 OE2 GLU A 160 -2.438 8.855 11.657 1.00 2.79 O ATOM 0 H GLU A 160 -2.428 5.954 8.590 1.00 0.68 H new ATOM 0 HA GLU A 160 -4.679 5.217 10.301 1.00 0.68 H new ATOM 0 HB2 GLU A 160 -3.736 7.612 8.765 1.00 0.62 H new ATOM 0 HB3 GLU A 160 -5.464 7.453 9.014 1.00 0.62 H new ATOM 0 HG2 GLU A 160 -5.316 7.814 11.274 1.00 1.32 H new ATOM 0 HG3 GLU A 160 -3.860 6.851 11.436 1.00 1.32 H new ATOM 2652 N SER A 161 -4.894 4.626 7.117 1.00 0.96 N ATOM 2653 CA SER A 161 -5.674 3.742 6.249 1.00 1.09 C ATOM 2654 C SER A 161 -5.770 2.343 6.851 1.00 1.14 C ATOM 2655 O SER A 161 -6.881 1.854 7.054 1.00 1.19 O ATOM 2656 CB SER A 161 -5.023 3.619 4.864 1.00 1.10 C ATOM 2657 OG SER A 161 -5.612 2.572 4.107 1.00 1.38 O ATOM 0 H SER A 161 -4.023 4.961 6.705 1.00 0.96 H new ATOM 0 HA SER A 161 -6.668 4.179 6.154 1.00 1.09 H new ATOM 0 HB2 SER A 161 -5.126 4.562 4.326 1.00 1.10 H new ATOM 0 HB3 SER A 161 -3.955 3.432 4.977 1.00 1.10 H new ATOM 0 HG SER A 161 -5.001 2.304 3.389 1.00 1.38 H new ATOM 2663 N LEU A 162 -4.635 1.705 7.183 1.00 1.20 N ATOM 2664 CA LEU A 162 -4.654 0.323 7.652 1.00 1.40 C ATOM 2665 C LEU A 162 -5.388 0.224 8.987 1.00 1.22 C ATOM 2666 O LEU A 162 -6.231 -0.649 9.145 1.00 1.24 O ATOM 2667 CB LEU A 162 -3.231 -0.270 7.661 1.00 1.73 C ATOM 2668 CG LEU A 162 -3.129 -1.758 7.274 1.00 2.46 C ATOM 2669 CD1 LEU A 162 -3.969 -2.696 8.152 1.00 2.90 C ATOM 2670 CD2 LEU A 162 -3.482 -1.963 5.789 1.00 4.57 C ATOM 0 H LEU A 162 -3.707 2.124 7.134 1.00 1.20 H new ATOM 0 HA LEU A 162 -5.221 -0.296 6.956 1.00 1.40 H new ATOM 0 HB2 LEU A 162 -2.611 0.309 6.976 1.00 1.73 H new ATOM 0 HB3 LEU A 162 -2.809 -0.142 8.658 1.00 1.73 H new ATOM 0 HG LEU A 162 -2.088 -2.032 7.448 1.00 2.46 H new ATOM 0 HD11 LEU A 162 -3.841 -3.724 7.813 1.00 2.90 H new ATOM 0 HD12 LEU A 162 -3.643 -2.613 9.189 1.00 2.90 H new ATOM 0 HD13 LEU A 162 -5.021 -2.418 8.079 1.00 2.90 H new ATOM 0 HD21 LEU A 162 -3.403 -3.021 5.539 1.00 4.57 H new ATOM 0 HD22 LEU A 162 -4.501 -1.622 5.607 1.00 4.57 H new ATOM 0 HD23 LEU A 162 -2.792 -1.391 5.169 1.00 4.57 H new ATOM 2682 N MET A 163 -5.159 1.162 9.909 1.00 1.12 N ATOM 2683 CA MET A 163 -5.931 1.264 11.149 1.00 1.14 C ATOM 2684 C MET A 163 -7.425 1.424 10.893 1.00 1.10 C ATOM 2685 O MET A 163 -8.211 0.694 11.496 1.00 1.14 O ATOM 2686 CB MET A 163 -5.386 2.419 12.001 1.00 1.28 C ATOM 2687 CG MET A 163 -6.332 2.821 13.139 1.00 1.10 C ATOM 2688 SD MET A 163 -7.468 4.172 12.754 1.00 2.83 S ATOM 2689 CE MET A 163 -6.258 5.504 12.841 1.00 1.18 C ATOM 0 H MET A 163 -4.433 1.872 9.817 1.00 1.12 H new ATOM 0 HA MET A 163 -5.815 0.328 11.695 1.00 1.14 H new ATOM 0 HB2 MET A 163 -4.423 2.130 12.421 1.00 1.28 H new ATOM 0 HB3 MET A 163 -5.208 3.283 11.361 1.00 1.28 H new ATOM 0 HG2 MET A 163 -6.916 1.948 13.430 1.00 1.10 H new ATOM 0 HG3 MET A 163 -5.733 3.106 14.004 1.00 1.10 H new ATOM 0 HE1 MET A 163 -6.603 6.349 12.244 1.00 1.18 H new ATOM 0 HE2 MET A 163 -6.136 5.818 13.878 1.00 1.18 H new ATOM 0 HE3 MET A 163 -5.302 5.153 12.453 1.00 1.18 H new ATOM 2699 N ALA A 164 -7.839 2.345 10.023 1.00 1.04 N ATOM 2700 CA ALA A 164 -9.255 2.632 9.830 1.00 0.94 C ATOM 2701 C ALA A 164 -9.950 1.433 9.173 1.00 0.96 C ATOM 2702 O ALA A 164 -11.035 1.046 9.600 1.00 0.93 O ATOM 2703 CB ALA A 164 -9.432 3.925 9.017 1.00 0.92 C ATOM 0 H ALA A 164 -7.213 2.903 9.443 1.00 1.04 H new ATOM 0 HA ALA A 164 -9.728 2.794 10.798 1.00 0.94 H new ATOM 0 HB1 ALA A 164 -10.495 4.127 8.881 1.00 0.92 H new ATOM 0 HB2 ALA A 164 -8.970 4.756 9.550 1.00 0.92 H new ATOM 0 HB3 ALA A 164 -8.957 3.810 8.043 1.00 0.92 H new ATOM 2709 N LEU A 165 -9.297 0.823 8.177 1.00 1.03 N ATOM 2710 CA LEU A 165 -9.754 -0.380 7.475 1.00 1.09 C ATOM 2711 C LEU A 165 -9.848 -1.551 8.460 1.00 1.13 C ATOM 2712 O LEU A 165 -10.872 -2.228 8.524 1.00 1.14 O ATOM 2713 CB LEU A 165 -8.756 -0.664 6.322 1.00 1.04 C ATOM 2714 CG LEU A 165 -9.233 -1.494 5.112 1.00 1.12 C ATOM 2715 CD1 LEU A 165 -10.016 -2.760 5.479 1.00 1.31 C ATOM 2716 CD2 LEU A 165 -10.044 -0.622 4.142 1.00 2.29 C ATOM 0 H LEU A 165 -8.403 1.167 7.826 1.00 1.03 H new ATOM 0 HA LEU A 165 -10.750 -0.239 7.054 1.00 1.09 H new ATOM 0 HB2 LEU A 165 -8.405 0.297 5.945 1.00 1.04 H new ATOM 0 HB3 LEU A 165 -7.893 -1.172 6.751 1.00 1.04 H new ATOM 0 HG LEU A 165 -8.323 -1.843 4.623 1.00 1.12 H new ATOM 0 HD11 LEU A 165 -10.312 -3.281 4.569 1.00 1.31 H new ATOM 0 HD12 LEU A 165 -9.388 -3.414 6.084 1.00 1.31 H new ATOM 0 HD13 LEU A 165 -10.906 -2.486 6.046 1.00 1.31 H new ATOM 0 HD21 LEU A 165 -10.371 -1.226 3.296 1.00 2.29 H new ATOM 0 HD22 LEU A 165 -10.915 -0.218 4.658 1.00 2.29 H new ATOM 0 HD23 LEU A 165 -9.422 0.198 3.783 1.00 2.29 H new ATOM 2728 N MET A 166 -8.819 -1.747 9.288 1.00 1.15 N ATOM 2729 CA MET A 166 -8.765 -2.816 10.289 1.00 1.24 C ATOM 2730 C MET A 166 -9.871 -2.668 11.340 1.00 1.11 C ATOM 2731 O MET A 166 -10.523 -3.654 11.684 1.00 1.09 O ATOM 2732 CB MET A 166 -7.359 -2.857 10.913 1.00 1.39 C ATOM 2733 CG MET A 166 -7.168 -4.078 11.809 1.00 1.54 C ATOM 2734 SD MET A 166 -7.316 -5.647 10.913 1.00 2.61 S ATOM 2735 CE MET A 166 -7.936 -6.698 12.244 1.00 1.56 C ATOM 0 H MET A 166 -7.986 -1.158 9.282 1.00 1.15 H new ATOM 0 HA MET A 166 -8.951 -3.773 9.801 1.00 1.24 H new ATOM 0 HB2 MET A 166 -6.611 -2.868 10.121 1.00 1.39 H new ATOM 0 HB3 MET A 166 -7.194 -1.950 11.495 1.00 1.39 H new ATOM 0 HG2 MET A 166 -6.186 -4.026 12.279 1.00 1.54 H new ATOM 0 HG3 MET A 166 -7.907 -4.053 12.610 1.00 1.54 H new ATOM 0 HE1 MET A 166 -8.019 -7.725 11.888 1.00 1.56 H new ATOM 0 HE2 MET A 166 -7.247 -6.661 13.088 1.00 1.56 H new ATOM 0 HE3 MET A 166 -8.917 -6.344 12.560 1.00 1.56 H new ATOM 2745 N ARG A 167 -10.118 -1.436 11.804 1.00 1.06 N ATOM 2746 CA ARG A 167 -11.205 -1.073 12.728 1.00 1.03 C ATOM 2747 C ARG A 167 -12.610 -1.317 12.145 1.00 0.96 C ATOM 2748 O ARG A 167 -13.582 -1.441 12.893 1.00 0.98 O ATOM 2749 CB ARG A 167 -11.065 0.398 13.131 1.00 1.11 C ATOM 2750 CG ARG A 167 -10.055 0.490 14.278 1.00 1.60 C ATOM 2751 CD ARG A 167 -9.751 1.938 14.623 1.00 3.50 C ATOM 2752 NE ARG A 167 -10.885 2.620 15.277 1.00 3.86 N ATOM 2753 CZ ARG A 167 -11.088 3.933 15.355 1.00 5.63 C ATOM 2754 NH1 ARG A 167 -10.277 4.812 14.804 1.00 7.14 N ATOM 2755 NH2 ARG A 167 -12.132 4.396 16.004 1.00 6.35 N ATOM 0 H ARG A 167 -9.547 -0.634 11.538 1.00 1.06 H new ATOM 0 HA ARG A 167 -11.109 -1.723 13.598 1.00 1.03 H new ATOM 0 HB2 ARG A 167 -10.730 0.994 12.282 1.00 1.11 H new ATOM 0 HB3 ARG A 167 -12.029 0.800 13.442 1.00 1.11 H new ATOM 0 HG2 ARG A 167 -10.449 -0.021 15.156 1.00 1.60 H new ATOM 0 HG3 ARG A 167 -9.134 -0.022 13.998 1.00 1.60 H new ATOM 0 HD2 ARG A 167 -8.882 1.976 15.280 1.00 3.50 H new ATOM 0 HD3 ARG A 167 -9.485 2.476 13.713 1.00 3.50 H new ATOM 0 HE ARG A 167 -11.586 2.023 15.715 1.00 3.86 H new ATOM 0 HH11 ARG A 167 -9.454 4.495 14.292 1.00 7.14 H new ATOM 0 HH12 ARG A 167 -10.472 5.810 14.889 1.00 7.14 H new ATOM 0 HH21 ARG A 167 -12.785 3.750 16.447 1.00 6.35 H new ATOM 0 HH22 ARG A 167 -12.290 5.402 16.065 1.00 6.35 H new ATOM 2769 N LEU A 168 -12.724 -1.339 10.814 1.00 0.96 N ATOM 2770 CA LEU A 168 -13.966 -1.544 10.065 1.00 1.00 C ATOM 2771 C LEU A 168 -14.219 -3.042 9.811 1.00 1.08 C ATOM 2772 O LEU A 168 -15.331 -3.525 10.025 1.00 1.13 O ATOM 2773 CB LEU A 168 -13.840 -0.746 8.749 1.00 0.98 C ATOM 2774 CG LEU A 168 -15.085 -0.007 8.246 1.00 1.18 C ATOM 2775 CD1 LEU A 168 -16.243 -0.947 7.903 1.00 2.47 C ATOM 2776 CD2 LEU A 168 -15.568 1.116 9.168 1.00 1.85 C ATOM 0 H LEU A 168 -11.918 -1.209 10.203 1.00 0.96 H new ATOM 0 HA LEU A 168 -14.826 -1.189 10.633 1.00 1.00 H new ATOM 0 HB2 LEU A 168 -13.043 -0.014 8.875 1.00 0.98 H new ATOM 0 HB3 LEU A 168 -13.519 -1.435 7.968 1.00 0.98 H new ATOM 0 HG LEU A 168 -14.746 0.467 7.325 1.00 1.18 H new ATOM 0 HD11 LEU A 168 -17.094 -0.363 7.553 1.00 2.47 H new ATOM 0 HD12 LEU A 168 -15.931 -1.638 7.120 1.00 2.47 H new ATOM 0 HD13 LEU A 168 -16.530 -1.510 8.791 1.00 2.47 H new ATOM 0 HD21 LEU A 168 -16.452 1.586 8.737 1.00 1.85 H new ATOM 0 HD22 LEU A 168 -15.817 0.703 10.145 1.00 1.85 H new ATOM 0 HD23 LEU A 168 -14.779 1.860 9.279 1.00 1.85 H new ATOM 2788 N ASN A 169 -13.190 -3.780 9.378 1.00 1.33 N ATOM 2789 CA ASN A 169 -13.279 -5.207 9.047 1.00 1.47 C ATOM 2790 C ASN A 169 -13.293 -6.125 10.285 1.00 1.47 C ATOM 2791 O ASN A 169 -14.108 -7.048 10.339 1.00 1.56 O ATOM 2792 CB ASN A 169 -12.119 -5.592 8.105 1.00 1.67 C ATOM 2793 CG ASN A 169 -12.599 -5.745 6.666 1.00 2.52 C ATOM 2794 OD1 ASN A 169 -12.770 -4.776 5.937 1.00 3.14 O ATOM 2795 ND2 ASN A 169 -12.860 -6.963 6.224 1.00 3.16 N ATOM 0 H ASN A 169 -12.255 -3.395 9.245 1.00 1.33 H new ATOM 0 HA ASN A 169 -14.236 -5.359 8.548 1.00 1.47 H new ATOM 0 HB2 ASN A 169 -11.342 -4.829 8.152 1.00 1.67 H new ATOM 0 HB3 ASN A 169 -11.670 -6.526 8.442 1.00 1.67 H new ATOM 0 HD21 ASN A 169 -13.205 -7.098 5.274 1.00 3.16 H new ATOM 0 HD22 ASN A 169 -12.717 -7.768 6.833 1.00 3.16 H new