USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 GLN : amide:sc= -0.0454 K(o=-0.071,f=-1.3!) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= -0.0251 USER MOD Set 2.1: A 89 SER OG : rot 120:sc= -0.23 USER MOD Set 2.2: A 109 TYR OH : rot 150:sc= -0.0633 USER MOD Set 3.1: A 36 ASN : amide:sc= -2.24 K(o=-4.7,f=-5.3) USER MOD Set 3.2: A 45 ASN : amide:sc= -2.44 K(o=-4.7,f=-8.9!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 22 TYR OH : rot 80:sc= -0.947 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -137:sc= -2.56! (180deg=-5.96!) USER MOD Single : A 26 LYS NZ :NH3+ -121:sc=-0.00558 (180deg=-0.811) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0175) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.0706 X(o=-0.071,f=-0.071) USER MOD Single : A 47 CYS SG : rot 108:sc= -1.1! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 52 CYS SG : rot 180:sc= -0.604 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.184 K(o=0.18,f=-0.65) USER MOD Single : A 61 GLN : amide:sc= -0.0191 K(o=-0.019,f=-1.2) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -3.16 K(o=-3.2,f=-5.7!) USER MOD Single : A 67 GLN : amide:sc= -0.165 K(o=-0.17,f=-2!) USER MOD Single : A 71 MET CE :methyl -155:sc= -0.114 (180deg=-1.11) USER MOD Single : A 74 SER OG : rot -50:sc= 0.89 USER MOD Single : A 75 SER OG : rot 44:sc= 0.571 USER MOD Single : A 78 ASN : amide:sc= -0.585 K(o=-0.58,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.89 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.257 K(o=-0.26,f=1.1) USER MOD Single : A 104 ASN : amide:sc=-0.00991 K(o=-0.0099,f=-2.6!) USER MOD Single : A 114 SER OG : rot 179:sc= 0.16 USER MOD Single : A 118 CYS SG : rot 21:sc= 0.0369 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 11 9.432 19.786 2.580 1.00 0.00 N ATOM 121 CA ARG A 11 10.153 18.918 1.656 1.00 0.00 C ATOM 122 C ARG A 11 9.213 18.353 0.596 1.00 0.00 C ATOM 123 O ARG A 11 9.431 18.535 -0.603 1.00 0.00 O ATOM 124 CB ARG A 11 10.826 17.775 2.418 1.00 0.00 C ATOM 125 CG ARG A 11 12.030 18.214 3.236 1.00 0.00 C ATOM 126 CD ARG A 11 13.264 18.383 2.365 1.00 0.00 C ATOM 127 NE ARG A 11 14.499 18.261 3.135 1.00 0.00 N ATOM 128 CZ ARG A 11 15.710 18.276 2.589 1.00 0.00 C ATOM 129 NH1 ARG A 11 15.848 18.409 1.277 1.00 0.00 N ATOM 130 NH2 ARG A 11 16.786 18.159 3.357 1.00 0.00 N ATOM 0 HA ARG A 11 10.918 19.514 1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.096 17.312 3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.140 17.011 1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.806 19.155 3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.231 17.477 4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.255 17.633 1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.234 19.359 1.880 1.00 0.00 H new ATOM 0 HE ARG A 11 14.428 18.159 4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.023 18.500 0.684 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.779 18.420 0.861 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.683 18.058 4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.716 18.171 2.938 1.00 0.00 H new ATOM 144 N LEU A 12 8.169 17.665 1.044 1.00 0.00 N ATOM 145 CA LEU A 12 7.195 17.072 0.133 1.00 0.00 C ATOM 146 C LEU A 12 6.514 18.145 -0.710 1.00 0.00 C ATOM 147 O LEU A 12 6.465 19.319 -0.344 1.00 0.00 O ATOM 148 CB LEU A 12 6.146 16.283 0.920 1.00 0.00 C ATOM 149 CG LEU A 12 6.568 14.892 1.392 1.00 0.00 C ATOM 150 CD1 LEU A 12 5.510 14.295 2.307 1.00 0.00 C ATOM 151 CD2 LEU A 12 6.823 13.978 0.202 1.00 0.00 C ATOM 0 H LEU A 12 7.975 17.504 2.032 1.00 0.00 H new ATOM 0 HA LEU A 12 7.725 16.394 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.859 16.869 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.256 16.180 0.299 1.00 0.00 H new ATOM 0 HG LEU A 12 7.496 14.988 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.828 13.305 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.377 14.938 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.566 14.214 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.122 12.992 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.912 13.889 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.617 14.398 -0.415 1.00 0.00 H new ATOM 163 N PRO A 13 5.974 17.734 -1.867 1.00 0.00 N ATOM 164 CA PRO A 13 5.283 18.644 -2.786 1.00 0.00 C ATOM 165 C PRO A 13 3.953 19.134 -2.225 1.00 0.00 C ATOM 166 O PRO A 13 2.959 18.408 -2.238 1.00 0.00 O ATOM 167 CB PRO A 13 5.055 17.785 -4.032 1.00 0.00 C ATOM 168 CG PRO A 13 5.039 16.383 -3.527 1.00 0.00 C ATOM 169 CD PRO A 13 5.996 16.349 -2.368 1.00 0.00 C ATOM 0 HA PRO A 13 5.861 19.548 -2.976 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.116 18.040 -4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.848 17.933 -4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.036 16.093 -3.214 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.344 15.684 -4.306 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.677 15.640 -1.604 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.996 16.051 -2.681 1.00 0.00 H new ATOM 177 N GLU A 14 3.941 20.369 -1.734 1.00 0.00 N ATOM 178 CA GLU A 14 2.731 20.954 -1.168 1.00 0.00 C ATOM 179 C GLU A 14 1.582 20.903 -2.171 1.00 0.00 C ATOM 180 O GLU A 14 0.411 20.878 -1.791 1.00 0.00 O ATOM 181 CB GLU A 14 2.988 22.401 -0.744 1.00 0.00 C ATOM 182 CG GLU A 14 3.430 23.301 -1.886 1.00 0.00 C ATOM 183 CD GLU A 14 3.787 24.700 -1.421 1.00 0.00 C ATOM 184 OE1 GLU A 14 4.851 24.863 -0.790 1.00 0.00 O ATOM 185 OE2 GLU A 14 3.000 25.632 -1.690 1.00 0.00 O ATOM 0 H GLU A 14 4.755 20.984 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 14 2.452 20.370 -0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.078 22.808 -0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.752 22.413 0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.293 22.856 -2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.632 23.361 -2.626 1.00 0.00 H new ATOM 192 N THR A 15 1.925 20.889 -3.456 1.00 0.00 N ATOM 193 CA THR A 15 0.924 20.843 -4.514 1.00 0.00 C ATOM 194 C THR A 15 0.342 19.442 -4.659 1.00 0.00 C ATOM 195 O THR A 15 -0.431 19.174 -5.579 1.00 0.00 O ATOM 196 CB THR A 15 1.516 21.283 -5.866 1.00 0.00 C ATOM 197 OG1 THR A 15 2.771 20.630 -6.088 1.00 0.00 O ATOM 198 CG2 THR A 15 1.710 22.792 -5.907 1.00 0.00 C ATOM 0 H THR A 15 2.889 20.909 -3.788 1.00 0.00 H new ATOM 0 HA THR A 15 0.131 21.535 -4.230 1.00 0.00 H new ATOM 0 HB THR A 15 0.816 21.001 -6.652 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.140 20.914 -6.950 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.129 23.079 -6.871 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.749 23.286 -5.768 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.391 23.093 -5.111 1.00 0.00 H new ATOM 206 N ILE A 16 0.716 18.553 -3.745 1.00 0.00 N ATOM 207 CA ILE A 16 0.228 17.180 -3.771 1.00 0.00 C ATOM 208 C ILE A 16 -0.119 16.693 -2.369 1.00 0.00 C ATOM 209 O ILE A 16 0.385 17.218 -1.376 1.00 0.00 O ATOM 210 CB ILE A 16 1.266 16.225 -4.391 1.00 0.00 C ATOM 211 CG1 ILE A 16 1.855 16.835 -5.665 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.633 14.874 -4.688 1.00 0.00 C ATOM 213 CD1 ILE A 16 2.983 16.021 -6.259 1.00 0.00 C ATOM 0 H ILE A 16 1.355 18.759 -2.977 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.671 17.177 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 16 2.074 16.076 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.064 16.940 -6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.219 17.838 -5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.379 14.211 -5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.257 14.437 -3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.192 15.005 -5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.352 16.513 -7.159 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.792 15.937 -5.534 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.619 15.025 -6.513 1.00 0.00 H new ATOM 225 N ASP A 17 -0.981 15.685 -2.295 1.00 0.00 N ATOM 226 CA ASP A 17 -1.394 15.125 -1.014 1.00 0.00 C ATOM 227 C ASP A 17 -1.242 13.607 -1.010 1.00 0.00 C ATOM 228 O ASP A 17 -1.995 12.895 -1.675 1.00 0.00 O ATOM 229 CB ASP A 17 -2.845 15.504 -0.710 1.00 0.00 C ATOM 230 CG ASP A 17 -3.264 15.112 0.693 1.00 0.00 C ATOM 231 OD1 ASP A 17 -2.852 14.028 1.155 1.00 0.00 O ATOM 232 OD2 ASP A 17 -4.005 15.891 1.329 1.00 0.00 O ATOM 0 H ASP A 17 -1.407 15.239 -3.107 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.748 15.540 -0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.971 16.579 -0.836 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.503 15.019 -1.431 1.00 0.00 H new ATOM 237 N LEU A 18 -0.262 13.118 -0.258 1.00 0.00 N ATOM 238 CA LEU A 18 -0.009 11.684 -0.169 1.00 0.00 C ATOM 239 C LEU A 18 -1.317 10.900 -0.159 1.00 0.00 C ATOM 240 O LEU A 18 -1.497 9.962 -0.936 1.00 0.00 O ATOM 241 CB LEU A 18 0.798 11.366 1.091 1.00 0.00 C ATOM 242 CG LEU A 18 2.319 11.390 0.938 1.00 0.00 C ATOM 243 CD1 LEU A 18 2.986 11.690 2.271 1.00 0.00 C ATOM 244 CD2 LEU A 18 2.819 10.068 0.375 1.00 0.00 C ATOM 0 H LEU A 18 0.370 13.693 0.299 1.00 0.00 H new ATOM 0 HA LEU A 18 0.565 11.386 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.520 12.080 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.504 10.378 1.447 1.00 0.00 H new ATOM 0 HG LEU A 18 2.582 12.183 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.068 11.703 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.652 12.662 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.716 10.920 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.904 10.103 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.544 9.258 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.368 9.895 -0.602 1.00 0.00 H new ATOM 256 N GLY A 19 -2.231 11.292 0.724 1.00 0.00 N ATOM 257 CA GLY A 19 -3.512 10.617 0.816 1.00 0.00 C ATOM 258 C GLY A 19 -4.158 10.412 -0.540 1.00 0.00 C ATOM 259 O GLY A 19 -4.572 9.303 -0.877 1.00 0.00 O ATOM 0 H GLY A 19 -2.107 12.065 1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.376 9.650 1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.181 11.199 1.450 1.00 0.00 H new ATOM 263 N ALA A 20 -4.248 11.485 -1.319 1.00 0.00 N ATOM 264 CA ALA A 20 -4.848 11.419 -2.645 1.00 0.00 C ATOM 265 C ALA A 20 -4.044 10.509 -3.567 1.00 0.00 C ATOM 266 O ALA A 20 -4.607 9.793 -4.396 1.00 0.00 O ATOM 267 CB ALA A 20 -4.962 12.813 -3.244 1.00 0.00 C ATOM 0 H ALA A 20 -3.913 12.411 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.848 10.997 -2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.412 12.748 -4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.586 13.435 -2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.970 13.257 -3.325 1.00 0.00 H new ATOM 273 N LEU A 21 -2.724 10.541 -3.418 1.00 0.00 N ATOM 274 CA LEU A 21 -1.841 9.719 -4.238 1.00 0.00 C ATOM 275 C LEU A 21 -2.083 8.235 -3.980 1.00 0.00 C ATOM 276 O LEU A 21 -2.297 7.460 -4.912 1.00 0.00 O ATOM 277 CB LEU A 21 -0.379 10.066 -3.953 1.00 0.00 C ATOM 278 CG LEU A 21 0.653 9.454 -4.901 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.081 8.226 -5.592 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.111 10.481 -5.927 1.00 0.00 C ATOM 0 H LEU A 21 -2.242 11.127 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.060 9.927 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.271 11.150 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.143 9.749 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 21 1.518 9.146 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.830 7.804 -6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.196 7.483 -4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.801 8.509 -6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.845 10.028 -6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.254 10.821 -6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.562 11.331 -5.415 1.00 0.00 H new ATOM 292 N TYR A 22 -2.051 7.848 -2.710 1.00 0.00 N ATOM 293 CA TYR A 22 -2.266 6.457 -2.329 1.00 0.00 C ATOM 294 C TYR A 22 -3.545 5.912 -2.959 1.00 0.00 C ATOM 295 O TYR A 22 -3.623 4.735 -3.314 1.00 0.00 O ATOM 296 CB TYR A 22 -2.339 6.329 -0.807 1.00 0.00 C ATOM 297 CG TYR A 22 -3.010 5.057 -0.338 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.319 3.852 -0.316 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.334 5.061 0.082 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.928 2.687 0.111 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.951 3.902 0.512 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.244 2.718 0.524 1.00 0.00 C ATOM 303 OH TYR A 22 -4.854 1.561 0.950 1.00 0.00 O ATOM 0 H TYR A 22 -1.878 8.478 -1.927 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.423 5.871 -2.696 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.329 6.369 -0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.880 7.185 -0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.288 3.825 -0.638 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.891 5.986 0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.377 1.758 0.121 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.981 3.923 0.837 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.591 1.374 1.876 1.00 0.00 H new ATOM 313 N LEU A 23 -4.544 6.776 -3.095 1.00 0.00 N ATOM 314 CA LEU A 23 -5.820 6.384 -3.683 1.00 0.00 C ATOM 315 C LEU A 23 -5.647 5.985 -5.145 1.00 0.00 C ATOM 316 O LEU A 23 -6.230 5.003 -5.604 1.00 0.00 O ATOM 317 CB LEU A 23 -6.830 7.528 -3.570 1.00 0.00 C ATOM 318 CG LEU A 23 -7.277 7.891 -2.154 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.783 9.325 -2.105 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.352 6.928 -1.671 1.00 0.00 C ATOM 0 H LEU A 23 -4.495 7.753 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.195 5.521 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.397 8.415 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.713 7.265 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.417 7.808 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.097 9.566 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.985 10.003 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.630 9.435 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.658 7.201 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.213 6.979 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.956 5.913 -1.668 1.00 0.00 H new ATOM 332 N SER A 24 -4.841 6.753 -5.870 1.00 0.00 N ATOM 333 CA SER A 24 -4.592 6.481 -7.281 1.00 0.00 C ATOM 334 C SER A 24 -3.934 5.117 -7.464 1.00 0.00 C ATOM 335 O SER A 24 -4.136 4.449 -8.477 1.00 0.00 O ATOM 336 CB SER A 24 -3.705 7.572 -7.884 1.00 0.00 C ATOM 337 OG SER A 24 -4.473 8.701 -8.266 1.00 0.00 O ATOM 0 H SER A 24 -4.349 7.568 -5.504 1.00 0.00 H new ATOM 0 HA SER A 24 -5.551 6.475 -7.799 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.948 7.872 -7.159 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.177 7.177 -8.752 1.00 0.00 H new ATOM 0 HG SER A 24 -3.883 9.384 -8.647 1.00 0.00 H new ATOM 343 N MET A 25 -3.146 4.710 -6.474 1.00 0.00 N ATOM 344 CA MET A 25 -2.459 3.425 -6.524 1.00 0.00 C ATOM 345 C MET A 25 -3.419 2.282 -6.211 1.00 0.00 C ATOM 346 O MET A 25 -3.185 1.137 -6.597 1.00 0.00 O ATOM 347 CB MET A 25 -1.290 3.409 -5.538 1.00 0.00 C ATOM 348 CG MET A 25 -0.496 4.705 -5.514 1.00 0.00 C ATOM 349 SD MET A 25 0.921 4.632 -4.402 1.00 0.00 S ATOM 350 CE MET A 25 2.261 4.987 -5.536 1.00 0.00 C ATOM 0 H MET A 25 -2.968 5.251 -5.628 1.00 0.00 H new ATOM 0 HA MET A 25 -2.075 3.286 -7.535 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.673 3.209 -4.537 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.621 2.587 -5.794 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.150 4.933 -6.522 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.150 5.522 -5.209 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.095 4.315 -5.335 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.918 4.844 -6.561 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.586 6.019 -5.403 1.00 0.00 H new ATOM 360 N LYS A 26 -4.502 2.601 -5.509 1.00 0.00 N ATOM 361 CA LYS A 26 -5.499 1.602 -5.145 1.00 0.00 C ATOM 362 C LYS A 26 -6.300 1.161 -6.366 1.00 0.00 C ATOM 363 O LYS A 26 -6.782 0.030 -6.429 1.00 0.00 O ATOM 364 CB LYS A 26 -6.443 2.159 -4.077 1.00 0.00 C ATOM 365 CG LYS A 26 -5.827 2.214 -2.689 1.00 0.00 C ATOM 366 CD LYS A 26 -6.879 2.046 -1.606 1.00 0.00 C ATOM 367 CE LYS A 26 -7.676 3.325 -1.399 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.282 3.387 -0.040 1.00 0.00 N ATOM 0 H LYS A 26 -4.711 3.544 -5.181 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.976 0.734 -4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.754 3.162 -4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.342 1.544 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.075 1.431 -2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.314 3.166 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.555 1.235 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.397 1.761 -0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.025 4.187 -1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.463 3.388 -2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.315 3.468 -0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.044 2.522 0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.910 4.215 0.468 1.00 0.00 H new ATOM 382 N ASP A 27 -6.436 2.060 -7.334 1.00 0.00 N ATOM 383 CA ASP A 27 -7.176 1.763 -8.555 1.00 0.00 C ATOM 384 C ASP A 27 -6.741 0.423 -9.141 1.00 0.00 C ATOM 385 O ASP A 27 -5.630 -0.045 -8.893 1.00 0.00 O ATOM 386 CB ASP A 27 -6.970 2.875 -9.585 1.00 0.00 C ATOM 387 CG ASP A 27 -8.065 2.903 -10.633 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.151 1.943 -11.427 1.00 0.00 O ATOM 389 OD2 ASP A 27 -8.836 3.885 -10.659 1.00 0.00 O ATOM 0 H ASP A 27 -6.043 3.001 -7.297 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.235 1.703 -8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.935 3.837 -9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.006 2.739 -10.075 1.00 0.00 H new ATOM 394 N THR A 28 -7.627 -0.191 -9.920 1.00 0.00 N ATOM 395 CA THR A 28 -7.336 -1.478 -10.540 1.00 0.00 C ATOM 396 C THR A 28 -6.608 -1.297 -11.867 1.00 0.00 C ATOM 397 O THR A 28 -5.797 -2.136 -12.258 1.00 0.00 O ATOM 398 CB THR A 28 -8.624 -2.289 -10.780 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.310 -3.680 -10.911 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.342 -1.806 -12.031 1.00 0.00 C ATOM 0 H THR A 28 -8.551 0.182 -10.136 1.00 0.00 H new ATOM 0 HA THR A 28 -6.694 -2.024 -9.849 1.00 0.00 H new ATOM 0 HB THR A 28 -9.283 -2.145 -9.924 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.134 -4.189 -11.062 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.248 -2.393 -12.180 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.606 -0.755 -11.916 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.687 -1.924 -12.895 1.00 0.00 H new ATOM 408 N GLU A 29 -6.903 -0.198 -12.554 1.00 0.00 N ATOM 409 CA GLU A 29 -6.274 0.091 -13.837 1.00 0.00 C ATOM 410 C GLU A 29 -5.434 1.363 -13.758 1.00 0.00 C ATOM 411 O GLU A 29 -4.504 1.556 -14.541 1.00 0.00 O ATOM 412 CB GLU A 29 -7.337 0.236 -14.929 1.00 0.00 C ATOM 413 CG GLU A 29 -8.592 0.955 -14.465 1.00 0.00 C ATOM 414 CD GLU A 29 -9.305 1.673 -15.594 1.00 0.00 C ATOM 415 OE1 GLU A 29 -10.131 1.031 -16.277 1.00 0.00 O ATOM 416 OE2 GLU A 29 -9.037 2.875 -15.796 1.00 0.00 O ATOM 0 H GLU A 29 -7.573 0.506 -12.244 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.617 -0.742 -14.086 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.908 0.778 -15.772 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.610 -0.755 -15.293 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.272 0.234 -14.011 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.328 1.675 -13.691 1.00 0.00 H new ATOM 423 N LYS A 30 -5.769 2.227 -12.806 1.00 0.00 N ATOM 424 CA LYS A 30 -5.047 3.481 -12.622 1.00 0.00 C ATOM 425 C LYS A 30 -4.177 3.428 -11.370 1.00 0.00 C ATOM 426 O LYS A 30 -3.708 4.456 -10.885 1.00 0.00 O ATOM 427 CB LYS A 30 -6.030 4.650 -12.524 1.00 0.00 C ATOM 428 CG LYS A 30 -7.143 4.597 -13.556 1.00 0.00 C ATOM 429 CD LYS A 30 -6.752 5.317 -14.835 1.00 0.00 C ATOM 430 CE LYS A 30 -7.141 6.787 -14.788 1.00 0.00 C ATOM 431 NZ LYS A 30 -8.602 6.981 -15.002 1.00 0.00 N ATOM 0 H LYS A 30 -6.536 2.082 -12.150 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.401 3.630 -13.487 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.471 4.661 -11.527 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.482 5.585 -12.640 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.382 3.558 -13.781 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.045 5.050 -13.144 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.677 5.229 -14.989 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.236 4.838 -15.686 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.856 7.207 -13.824 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.586 7.334 -15.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.802 7.993 -15.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.901 6.457 -15.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.124 6.628 -14.175 1.00 0.00 H new ATOM 445 N GLY A 31 -3.964 2.222 -10.853 1.00 0.00 N ATOM 446 CA GLY A 31 -3.149 2.058 -9.664 1.00 0.00 C ATOM 447 C GLY A 31 -2.008 1.082 -9.872 1.00 0.00 C ATOM 448 O GLY A 31 -1.753 0.645 -10.995 1.00 0.00 O ATOM 0 H GLY A 31 -4.341 1.356 -11.237 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.745 3.026 -9.368 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.776 1.710 -8.843 1.00 0.00 H new ATOM 452 N ILE A 32 -1.318 0.741 -8.789 1.00 0.00 N ATOM 453 CA ILE A 32 -0.197 -0.189 -8.859 1.00 0.00 C ATOM 454 C ILE A 32 -0.678 -1.635 -8.800 1.00 0.00 C ATOM 455 O ILE A 32 -1.427 -2.015 -7.900 1.00 0.00 O ATOM 456 CB ILE A 32 0.808 0.053 -7.718 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.341 1.487 -7.774 1.00 0.00 C ATOM 458 CG2 ILE A 32 1.951 -0.947 -7.798 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.175 1.869 -6.572 1.00 0.00 C ATOM 0 H ILE A 32 -1.515 1.094 -7.853 1.00 0.00 H new ATOM 0 HA ILE A 32 0.300 -0.012 -9.813 1.00 0.00 H new ATOM 0 HB ILE A 32 0.296 -0.087 -6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.941 1.608 -8.676 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.500 2.176 -7.856 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.653 -0.763 -6.985 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.555 -1.959 -7.714 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.465 -0.837 -8.753 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.519 2.898 -6.680 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.572 1.781 -5.668 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.036 1.204 -6.500 1.00 0.00 H new ATOM 471 N LYS A 33 -0.241 -2.438 -9.764 1.00 0.00 N ATOM 472 CA LYS A 33 -0.623 -3.844 -9.821 1.00 0.00 C ATOM 473 C LYS A 33 0.314 -4.697 -8.972 1.00 0.00 C ATOM 474 O LYS A 33 1.502 -4.400 -8.854 1.00 0.00 O ATOM 475 CB LYS A 33 -0.610 -4.339 -11.269 1.00 0.00 C ATOM 476 CG LYS A 33 0.743 -4.203 -11.946 1.00 0.00 C ATOM 477 CD LYS A 33 1.591 -5.448 -11.752 1.00 0.00 C ATOM 478 CE LYS A 33 2.843 -5.411 -12.617 1.00 0.00 C ATOM 479 NZ LYS A 33 2.557 -5.810 -14.023 1.00 0.00 N ATOM 0 H LYS A 33 0.379 -2.139 -10.517 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.633 -3.937 -9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.913 -5.386 -11.289 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.351 -3.781 -11.842 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.601 -4.021 -13.011 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.268 -3.338 -11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.875 -5.536 -10.703 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.003 -6.332 -11.999 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.265 -4.406 -12.603 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.595 -6.078 -12.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.434 -5.772 -14.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.178 -6.779 -14.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.858 -5.158 -14.433 1.00 0.00 H new ATOM 493 N GLU A 34 -0.229 -5.759 -8.385 1.00 0.00 N ATOM 494 CA GLU A 34 0.560 -6.655 -7.548 1.00 0.00 C ATOM 495 C GLU A 34 1.011 -7.881 -8.338 1.00 0.00 C ATOM 496 O GLU A 34 0.559 -8.111 -9.460 1.00 0.00 O ATOM 497 CB GLU A 34 -0.250 -7.093 -6.326 1.00 0.00 C ATOM 498 CG GLU A 34 -0.672 -5.940 -5.431 1.00 0.00 C ATOM 499 CD GLU A 34 -1.976 -6.211 -4.705 1.00 0.00 C ATOM 500 OE1 GLU A 34 -2.837 -6.912 -5.277 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.134 -5.723 -3.567 1.00 0.00 O ATOM 0 H GLU A 34 -1.211 -6.020 -8.474 1.00 0.00 H new ATOM 0 HA GLU A 34 1.445 -6.113 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.140 -7.626 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.342 -7.798 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.113 -5.747 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.777 -5.037 -6.033 1.00 0.00 H new ATOM 508 N LEU A 35 1.906 -8.663 -7.744 1.00 0.00 N ATOM 509 CA LEU A 35 2.420 -9.865 -8.391 1.00 0.00 C ATOM 510 C LEU A 35 2.758 -10.936 -7.359 1.00 0.00 C ATOM 511 O LEU A 35 3.151 -10.627 -6.235 1.00 0.00 O ATOM 512 CB LEU A 35 3.660 -9.530 -9.221 1.00 0.00 C ATOM 513 CG LEU A 35 3.597 -8.235 -10.031 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.993 -7.677 -10.256 1.00 0.00 C ATOM 515 CD2 LEU A 35 2.894 -8.471 -11.360 1.00 0.00 C ATOM 0 H LEU A 35 2.291 -8.486 -6.816 1.00 0.00 H new ATOM 0 HA LEU A 35 1.644 -10.254 -9.050 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.517 -9.474 -8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.847 -10.356 -9.908 1.00 0.00 H new ATOM 0 HG LEU A 35 3.023 -7.502 -9.464 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.928 -6.755 -10.834 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.461 -7.469 -9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.593 -8.406 -10.801 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.858 -7.539 -11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.441 -9.220 -11.933 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.879 -8.824 -11.177 1.00 0.00 H new ATOM 527 N ASN A 36 2.605 -12.197 -7.751 1.00 0.00 N ATOM 528 CA ASN A 36 2.897 -13.315 -6.860 1.00 0.00 C ATOM 529 C ASN A 36 4.333 -13.795 -7.042 1.00 0.00 C ATOM 530 O ASN A 36 4.577 -14.849 -7.631 1.00 0.00 O ATOM 531 CB ASN A 36 1.925 -14.468 -7.120 1.00 0.00 C ATOM 532 CG ASN A 36 0.476 -14.050 -6.957 1.00 0.00 C ATOM 533 OD1 ASN A 36 0.184 -12.932 -6.533 1.00 0.00 O ATOM 534 ND2 ASN A 36 -0.440 -14.951 -7.294 1.00 0.00 N ATOM 0 H ASN A 36 2.281 -12.470 -8.679 1.00 0.00 H new ATOM 0 HA ASN A 36 2.776 -12.970 -5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.079 -14.849 -8.130 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.144 -15.286 -6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.431 -14.728 -7.206 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.152 -15.866 -7.641 1.00 0.00 H new ATOM 541 N LEU A 37 5.281 -13.016 -6.532 1.00 0.00 N ATOM 542 CA LEU A 37 6.694 -13.362 -6.637 1.00 0.00 C ATOM 543 C LEU A 37 7.058 -14.470 -5.654 1.00 0.00 C ATOM 544 O LEU A 37 6.255 -14.842 -4.799 1.00 0.00 O ATOM 545 CB LEU A 37 7.561 -12.129 -6.376 1.00 0.00 C ATOM 546 CG LEU A 37 7.856 -11.247 -7.590 1.00 0.00 C ATOM 547 CD1 LEU A 37 8.608 -12.034 -8.652 1.00 0.00 C ATOM 548 CD2 LEU A 37 6.565 -10.677 -8.161 1.00 0.00 C ATOM 0 H LEU A 37 5.097 -12.141 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 37 6.880 -13.723 -7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.070 -11.518 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.510 -12.459 -5.953 1.00 0.00 H new ATOM 0 HG LEU A 37 8.486 -10.418 -7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.809 -11.390 -9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.551 -12.393 -8.239 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.004 -12.884 -8.971 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.794 -10.052 -9.024 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.911 -11.493 -8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.065 -10.077 -7.401 1.00 0.00 H new ATOM 560 N GLU A 38 8.274 -14.992 -5.782 1.00 0.00 N ATOM 561 CA GLU A 38 8.744 -16.057 -4.904 1.00 0.00 C ATOM 562 C GLU A 38 10.176 -15.794 -4.448 1.00 0.00 C ATOM 563 O GLU A 38 11.108 -15.806 -5.253 1.00 0.00 O ATOM 564 CB GLU A 38 8.663 -17.409 -5.616 1.00 0.00 C ATOM 565 CG GLU A 38 8.746 -18.599 -4.675 1.00 0.00 C ATOM 566 CD GLU A 38 9.376 -19.815 -5.326 1.00 0.00 C ATOM 567 OE1 GLU A 38 9.157 -20.018 -6.539 1.00 0.00 O ATOM 568 OE2 GLU A 38 10.088 -20.562 -4.624 1.00 0.00 O ATOM 0 H GLU A 38 8.951 -14.695 -6.485 1.00 0.00 H new ATOM 0 HA GLU A 38 8.100 -16.079 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.727 -17.461 -6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.471 -17.475 -6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.326 -18.322 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.744 -18.855 -4.329 1.00 0.00 H new ATOM 575 N LYS A 39 10.344 -15.556 -3.152 1.00 0.00 N ATOM 576 CA LYS A 39 11.662 -15.291 -2.586 1.00 0.00 C ATOM 577 C LYS A 39 11.937 -16.203 -1.395 1.00 0.00 C ATOM 578 O LYS A 39 11.064 -16.423 -0.555 1.00 0.00 O ATOM 579 CB LYS A 39 11.769 -13.826 -2.156 1.00 0.00 C ATOM 580 CG LYS A 39 13.079 -13.490 -1.464 1.00 0.00 C ATOM 581 CD LYS A 39 14.136 -13.042 -2.459 1.00 0.00 C ATOM 582 CE LYS A 39 13.940 -11.589 -2.864 1.00 0.00 C ATOM 583 NZ LYS A 39 14.701 -11.250 -4.099 1.00 0.00 N ATOM 0 H LYS A 39 9.583 -15.541 -2.473 1.00 0.00 H new ATOM 0 HA LYS A 39 12.408 -15.494 -3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.657 -13.189 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.943 -13.592 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.912 -12.702 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.438 -14.363 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.126 -13.168 -2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.096 -13.676 -3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.879 -11.397 -3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.260 -10.939 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.541 -10.251 -4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.716 -11.409 -3.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.378 -11.853 -4.882 1.00 0.00 H new ATOM 597 N ASP A 40 13.154 -16.730 -1.328 1.00 0.00 N ATOM 598 CA ASP A 40 13.545 -17.617 -0.238 1.00 0.00 C ATOM 599 C ASP A 40 12.484 -18.687 -0.002 1.00 0.00 C ATOM 600 O ASP A 40 12.129 -18.984 1.139 1.00 0.00 O ATOM 601 CB ASP A 40 13.772 -16.814 1.044 1.00 0.00 C ATOM 602 CG ASP A 40 15.118 -16.117 1.059 1.00 0.00 C ATOM 603 OD1 ASP A 40 16.151 -16.819 1.080 1.00 0.00 O ATOM 604 OD2 ASP A 40 15.139 -14.868 1.049 1.00 0.00 O ATOM 0 H ASP A 40 13.888 -16.559 -2.016 1.00 0.00 H new ATOM 0 HA ASP A 40 14.476 -18.110 -0.518 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.981 -16.072 1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 40 13.701 -17.480 1.904 1.00 0.00 H new ATOM 609 N LYS A 41 11.980 -19.263 -1.088 1.00 0.00 N ATOM 610 CA LYS A 41 10.959 -20.301 -1.000 1.00 0.00 C ATOM 611 C LYS A 41 9.695 -19.766 -0.337 1.00 0.00 C ATOM 612 O LYS A 41 8.941 -20.516 0.284 1.00 0.00 O ATOM 613 CB LYS A 41 11.491 -21.502 -0.215 1.00 0.00 C ATOM 614 CG LYS A 41 12.478 -22.352 -0.996 1.00 0.00 C ATOM 615 CD LYS A 41 12.607 -23.745 -0.403 1.00 0.00 C ATOM 616 CE LYS A 41 13.818 -24.477 -0.959 1.00 0.00 C ATOM 617 NZ LYS A 41 13.648 -24.817 -2.399 1.00 0.00 N ATOM 0 H LYS A 41 12.262 -19.029 -2.040 1.00 0.00 H new ATOM 0 HA LYS A 41 10.710 -20.618 -2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.973 -21.145 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.651 -22.125 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.154 -22.426 -2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.454 -21.866 -1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.690 -23.674 0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.705 -24.318 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.706 -23.857 -0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.984 -25.390 -0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.495 -25.315 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.816 -25.430 -2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.515 -23.944 -2.948 1.00 0.00 H new ATOM 631 N LYS A 42 9.466 -18.464 -0.473 1.00 0.00 N ATOM 632 CA LYS A 42 8.291 -17.827 0.111 1.00 0.00 C ATOM 633 C LYS A 42 7.561 -16.979 -0.926 1.00 0.00 C ATOM 634 O LYS A 42 8.117 -16.016 -1.456 1.00 0.00 O ATOM 635 CB LYS A 42 8.696 -16.958 1.303 1.00 0.00 C ATOM 636 CG LYS A 42 9.264 -17.750 2.468 1.00 0.00 C ATOM 637 CD LYS A 42 9.617 -16.847 3.638 1.00 0.00 C ATOM 638 CE LYS A 42 11.038 -16.316 3.522 1.00 0.00 C ATOM 639 NZ LYS A 42 11.342 -15.312 4.579 1.00 0.00 N ATOM 0 H LYS A 42 10.079 -17.829 -0.983 1.00 0.00 H new ATOM 0 HA LYS A 42 7.616 -18.611 0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.437 -16.229 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.826 -16.397 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.538 -18.497 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.153 -18.290 2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.917 -16.012 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.509 -17.400 4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.743 -17.145 3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.178 -15.864 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.319 -14.974 4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.686 -14.509 4.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.233 -15.750 5.516 1.00 0.00 H new ATOM 653 N ILE A 43 6.315 -17.341 -1.208 1.00 0.00 N ATOM 654 CA ILE A 43 5.509 -16.611 -2.179 1.00 0.00 C ATOM 655 C ILE A 43 4.796 -15.432 -1.526 1.00 0.00 C ATOM 656 O ILE A 43 4.248 -15.553 -0.430 1.00 0.00 O ATOM 657 CB ILE A 43 4.462 -17.525 -2.843 1.00 0.00 C ATOM 658 CG1 ILE A 43 5.153 -18.605 -3.679 1.00 0.00 C ATOM 659 CG2 ILE A 43 3.514 -16.705 -3.705 1.00 0.00 C ATOM 660 CD1 ILE A 43 5.460 -18.168 -5.095 1.00 0.00 C ATOM 0 H ILE A 43 5.841 -18.135 -0.778 1.00 0.00 H new ATOM 0 HA ILE A 43 6.193 -16.242 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 43 3.880 -18.014 -2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.082 -18.895 -3.187 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.518 -19.491 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.780 -17.365 -4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.001 -15.970 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.081 -16.192 -4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.949 -18.983 -5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.533 -17.905 -5.604 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.120 -17.301 -5.073 1.00 0.00 H new ATOM 672 N PHE A 44 4.807 -14.291 -2.207 1.00 0.00 N ATOM 673 CA PHE A 44 4.160 -13.088 -1.694 1.00 0.00 C ATOM 674 C PHE A 44 3.047 -12.628 -2.629 1.00 0.00 C ATOM 675 O PHE A 44 3.302 -11.981 -3.644 1.00 0.00 O ATOM 676 CB PHE A 44 5.187 -11.968 -1.515 1.00 0.00 C ATOM 677 CG PHE A 44 6.231 -12.272 -0.479 1.00 0.00 C ATOM 678 CD1 PHE A 44 7.247 -13.177 -0.743 1.00 0.00 C ATOM 679 CD2 PHE A 44 6.198 -11.652 0.760 1.00 0.00 C ATOM 680 CE1 PHE A 44 8.208 -13.459 0.209 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.157 -11.929 1.716 1.00 0.00 C ATOM 682 CZ PHE A 44 8.164 -12.833 1.440 1.00 0.00 C ATOM 0 H PHE A 44 5.256 -14.174 -3.115 1.00 0.00 H new ATOM 0 HA PHE A 44 3.721 -13.327 -0.726 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.678 -11.780 -2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.668 -11.051 -1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.288 -13.668 -1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.413 -10.944 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 44 8.993 -14.168 -0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.119 -11.439 2.678 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.915 -13.050 2.185 1.00 0.00 H new ATOM 692 N ASN A 45 1.810 -12.967 -2.279 1.00 0.00 N ATOM 693 CA ASN A 45 0.656 -12.590 -3.088 1.00 0.00 C ATOM 694 C ASN A 45 0.194 -11.176 -2.749 1.00 0.00 C ATOM 695 O ASN A 45 0.261 -10.748 -1.596 1.00 0.00 O ATOM 696 CB ASN A 45 -0.490 -13.580 -2.871 1.00 0.00 C ATOM 697 CG ASN A 45 -0.256 -14.900 -3.580 1.00 0.00 C ATOM 698 OD1 ASN A 45 -0.714 -15.103 -4.704 1.00 0.00 O ATOM 699 ND2 ASN A 45 0.460 -15.805 -2.923 1.00 0.00 N ATOM 0 H ASN A 45 1.581 -13.502 -1.441 1.00 0.00 H new ATOM 0 HA ASN A 45 0.954 -12.614 -4.136 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.613 -13.761 -1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.420 -13.139 -3.228 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.650 -16.712 -3.349 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.820 -15.593 -1.992 1.00 0.00 H new ATOM 706 N HIS A 46 -0.278 -10.455 -3.762 1.00 0.00 N ATOM 707 CA HIS A 46 -0.753 -9.089 -3.572 1.00 0.00 C ATOM 708 C HIS A 46 0.389 -8.170 -3.150 1.00 0.00 C ATOM 709 O HIS A 46 0.246 -7.371 -2.224 1.00 0.00 O ATOM 710 CB HIS A 46 -1.865 -9.055 -2.522 1.00 0.00 C ATOM 711 CG HIS A 46 -2.881 -10.142 -2.691 1.00 0.00 C ATOM 712 ND1 HIS A 46 -3.537 -10.381 -3.880 1.00 0.00 N ATOM 713 CD2 HIS A 46 -3.353 -11.058 -1.812 1.00 0.00 C ATOM 714 CE1 HIS A 46 -4.369 -11.395 -3.726 1.00 0.00 C ATOM 715 NE2 HIS A 46 -4.276 -11.824 -2.480 1.00 0.00 N ATOM 0 H HIS A 46 -0.342 -10.794 -4.722 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.150 -8.733 -4.523 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.420 -9.136 -1.530 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.367 -8.089 -2.568 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.058 -11.166 -0.779 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.015 -11.804 -4.489 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -4.804 -12.599 -2.079 1.00 0.00 H new ATOM 724 N CYS A 47 1.521 -8.289 -3.835 1.00 0.00 N ATOM 725 CA CYS A 47 2.688 -7.469 -3.530 1.00 0.00 C ATOM 726 C CYS A 47 3.345 -6.962 -4.810 1.00 0.00 C ATOM 727 O CYS A 47 3.580 -7.727 -5.746 1.00 0.00 O ATOM 728 CB CYS A 47 3.698 -8.270 -2.707 1.00 0.00 C ATOM 729 SG CYS A 47 3.415 -8.202 -0.923 1.00 0.00 S ATOM 0 H CYS A 47 1.655 -8.945 -4.605 1.00 0.00 H new ATOM 0 HA CYS A 47 2.356 -6.609 -2.948 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.669 -9.311 -3.029 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.700 -7.898 -2.920 1.00 0.00 H new ATOM 0 HG CYS A 47 2.959 -9.348 -0.512 1.00 0.00 H new ATOM 735 N PHE A 48 3.639 -5.666 -4.845 1.00 0.00 N ATOM 736 CA PHE A 48 4.266 -5.056 -6.011 1.00 0.00 C ATOM 737 C PHE A 48 5.761 -4.851 -5.780 1.00 0.00 C ATOM 738 O PHE A 48 6.224 -4.803 -4.640 1.00 0.00 O ATOM 739 CB PHE A 48 3.600 -3.716 -6.332 1.00 0.00 C ATOM 740 CG PHE A 48 3.095 -2.991 -5.117 1.00 0.00 C ATOM 741 CD1 PHE A 48 1.930 -3.397 -4.487 1.00 0.00 C ATOM 742 CD2 PHE A 48 3.785 -1.904 -4.606 1.00 0.00 C ATOM 743 CE1 PHE A 48 1.462 -2.732 -3.369 1.00 0.00 C ATOM 744 CE2 PHE A 48 3.323 -1.236 -3.488 1.00 0.00 C ATOM 745 CZ PHE A 48 2.159 -1.650 -2.870 1.00 0.00 C ATOM 0 H PHE A 48 3.453 -5.019 -4.079 1.00 0.00 H new ATOM 0 HA PHE A 48 4.136 -5.731 -6.857 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.315 -3.080 -6.854 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.768 -3.887 -7.015 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.381 -4.243 -4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.694 -1.575 -5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.552 -3.059 -2.887 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.871 -0.391 -3.098 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.795 -1.128 -1.998 1.00 0.00 H new ATOM 755 N THR A 49 6.511 -4.731 -6.870 1.00 0.00 N ATOM 756 CA THR A 49 7.953 -4.533 -6.788 1.00 0.00 C ATOM 757 C THR A 49 8.295 -3.061 -6.584 1.00 0.00 C ATOM 758 O THR A 49 7.495 -2.179 -6.892 1.00 0.00 O ATOM 759 CB THR A 49 8.663 -5.042 -8.056 1.00 0.00 C ATOM 760 OG1 THR A 49 8.206 -4.313 -9.200 1.00 0.00 O ATOM 761 CG2 THR A 49 8.407 -6.528 -8.260 1.00 0.00 C ATOM 0 H THR A 49 6.144 -4.767 -7.821 1.00 0.00 H new ATOM 0 HA THR A 49 8.302 -5.107 -5.930 1.00 0.00 H new ATOM 0 HB THR A 49 9.735 -4.887 -7.932 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.664 -4.642 -10.002 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.918 -6.865 -9.162 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.783 -7.083 -7.401 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.336 -6.702 -8.364 1.00 0.00 H new ATOM 769 N GLY A 50 9.491 -2.803 -6.063 1.00 0.00 N ATOM 770 CA GLY A 50 9.918 -1.436 -5.828 1.00 0.00 C ATOM 771 C GLY A 50 9.821 -0.576 -7.072 1.00 0.00 C ATOM 772 O GLY A 50 9.283 0.529 -7.030 1.00 0.00 O ATOM 0 H GLY A 50 10.171 -3.516 -5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.306 -0.998 -5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.948 -1.437 -5.470 1.00 0.00 H new ATOM 776 N ASN A 51 10.345 -1.084 -8.183 1.00 0.00 N ATOM 777 CA ASN A 51 10.317 -0.353 -9.445 1.00 0.00 C ATOM 778 C ASN A 51 8.903 0.121 -9.767 1.00 0.00 C ATOM 779 O ASN A 51 8.671 1.311 -9.983 1.00 0.00 O ATOM 780 CB ASN A 51 10.843 -1.233 -10.580 1.00 0.00 C ATOM 781 CG ASN A 51 11.130 -0.441 -11.841 1.00 0.00 C ATOM 782 OD1 ASN A 51 10.220 -0.114 -12.602 1.00 0.00 O ATOM 783 ND2 ASN A 51 12.401 -0.129 -12.066 1.00 0.00 N ATOM 0 H ASN A 51 10.794 -1.998 -8.235 1.00 0.00 H new ATOM 0 HA ASN A 51 10.960 0.521 -9.345 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.754 -1.735 -10.254 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.112 -2.011 -10.801 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.656 0.403 -12.898 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.122 -0.422 -11.407 1.00 0.00 H new ATOM 790 N CYS A 52 7.963 -0.817 -9.798 1.00 0.00 N ATOM 791 CA CYS A 52 6.572 -0.495 -10.094 1.00 0.00 C ATOM 792 C CYS A 52 6.159 0.808 -9.417 1.00 0.00 C ATOM 793 O CYS A 52 5.648 1.721 -10.065 1.00 0.00 O ATOM 794 CB CYS A 52 5.656 -1.633 -9.640 1.00 0.00 C ATOM 795 SG CYS A 52 4.162 -1.822 -10.640 1.00 0.00 S ATOM 0 H CYS A 52 8.139 -1.806 -9.622 1.00 0.00 H new ATOM 0 HA CYS A 52 6.476 -0.369 -11.172 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.217 -2.568 -9.663 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.367 -1.461 -8.603 1.00 0.00 H new ATOM 0 HG CYS A 52 3.454 -2.810 -10.180 1.00 0.00 H new ATOM 801 N VAL A 53 6.382 0.886 -8.109 1.00 0.00 N ATOM 802 CA VAL A 53 6.033 2.076 -7.344 1.00 0.00 C ATOM 803 C VAL A 53 6.625 3.330 -7.977 1.00 0.00 C ATOM 804 O VAL A 53 5.901 4.265 -8.322 1.00 0.00 O ATOM 805 CB VAL A 53 6.521 1.971 -5.887 1.00 0.00 C ATOM 806 CG1 VAL A 53 6.284 3.278 -5.147 1.00 0.00 C ATOM 807 CG2 VAL A 53 5.832 0.815 -5.177 1.00 0.00 C ATOM 0 H VAL A 53 6.803 0.139 -7.557 1.00 0.00 H new ATOM 0 HA VAL A 53 4.945 2.148 -7.351 1.00 0.00 H new ATOM 0 HB VAL A 53 7.593 1.776 -5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.635 3.183 -4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.828 4.081 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.218 3.508 -5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.188 0.755 -4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.754 0.978 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.059 -0.117 -5.694 1.00 0.00 H new ATOM 817 N ILE A 54 7.945 3.343 -8.127 1.00 0.00 N ATOM 818 CA ILE A 54 8.635 4.482 -8.720 1.00 0.00 C ATOM 819 C ILE A 54 8.091 4.791 -10.111 1.00 0.00 C ATOM 820 O ILE A 54 7.446 5.818 -10.323 1.00 0.00 O ATOM 821 CB ILE A 54 10.152 4.233 -8.819 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.709 3.804 -7.460 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.862 5.482 -9.319 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.518 4.840 -6.374 1.00 0.00 C ATOM 0 H ILE A 54 8.558 2.578 -7.846 1.00 0.00 H new ATOM 0 HA ILE A 54 8.457 5.334 -8.064 1.00 0.00 H new ATOM 0 HB ILE A 54 10.328 3.429 -9.533 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.225 2.876 -7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.773 3.590 -7.564 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.933 5.290 -9.384 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.481 5.747 -10.305 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.682 6.305 -8.627 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.937 4.468 -5.439 1.00 0.00 H new ATOM 0 HD12 ILE A 54 11.025 5.762 -6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.454 5.037 -6.242 1.00 0.00 H new ATOM 836 N ASP A 55 8.353 3.894 -11.055 1.00 0.00 N ATOM 837 CA ASP A 55 7.886 4.068 -12.426 1.00 0.00 C ATOM 838 C ASP A 55 6.439 4.549 -12.451 1.00 0.00 C ATOM 839 O ASP A 55 6.119 5.553 -13.086 1.00 0.00 O ATOM 840 CB ASP A 55 8.015 2.756 -13.202 1.00 0.00 C ATOM 841 CG ASP A 55 7.882 2.953 -14.699 1.00 0.00 C ATOM 842 OD1 ASP A 55 8.420 3.955 -15.216 1.00 0.00 O ATOM 843 OD2 ASP A 55 7.241 2.106 -15.354 1.00 0.00 O ATOM 0 H ASP A 55 8.886 3.039 -10.896 1.00 0.00 H new ATOM 0 HA ASP A 55 8.509 4.825 -12.902 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.981 2.301 -12.983 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.250 2.059 -12.861 1.00 0.00 H new ATOM 848 N TRP A 56 5.569 3.824 -11.757 1.00 0.00 N ATOM 849 CA TRP A 56 4.154 4.176 -11.700 1.00 0.00 C ATOM 850 C TRP A 56 3.974 5.683 -11.553 1.00 0.00 C ATOM 851 O TRP A 56 3.165 6.293 -12.254 1.00 0.00 O ATOM 852 CB TRP A 56 3.474 3.453 -10.537 1.00 0.00 C ATOM 853 CG TRP A 56 1.996 3.693 -10.472 1.00 0.00 C ATOM 854 CD1 TRP A 56 1.011 2.883 -10.963 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.336 4.819 -9.883 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.221 3.438 -10.715 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.049 4.625 -10.053 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.779 5.970 -9.228 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -0.991 5.542 -9.592 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.844 6.879 -8.771 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.528 6.660 -8.953 1.00 0.00 C ATOM 0 H TRP A 56 5.818 2.989 -11.226 1.00 0.00 H new ATOM 0 HA TRP A 56 3.689 3.863 -12.635 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.658 2.382 -10.627 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.929 3.777 -9.601 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.177 1.945 -11.471 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.118 3.032 -10.981 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.834 6.147 -9.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.049 5.376 -9.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.176 7.773 -8.265 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.234 7.388 -8.582 1.00 0.00 H new ATOM 872 N LEU A 57 4.732 6.279 -10.639 1.00 0.00 N ATOM 873 CA LEU A 57 4.655 7.716 -10.400 1.00 0.00 C ATOM 874 C LEU A 57 5.038 8.497 -11.653 1.00 0.00 C ATOM 875 O LEU A 57 4.384 9.476 -12.011 1.00 0.00 O ATOM 876 CB LEU A 57 5.572 8.110 -9.240 1.00 0.00 C ATOM 877 CG LEU A 57 5.142 7.631 -7.853 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.340 7.558 -6.919 1.00 0.00 C ATOM 879 CD2 LEU A 57 4.072 8.549 -7.280 1.00 0.00 C ATOM 0 H LEU A 57 5.407 5.789 -10.051 1.00 0.00 H new ATOM 0 HA LEU A 57 3.625 7.962 -10.141 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.570 7.721 -9.444 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.651 9.197 -9.219 1.00 0.00 H new ATOM 0 HG LEU A 57 4.721 6.630 -7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.015 7.215 -5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.074 6.860 -7.322 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.791 8.546 -6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.778 8.193 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.467 9.562 -7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.203 8.551 -7.939 1.00 0.00 H new ATOM 891 N VAL A 58 6.101 8.055 -12.318 1.00 0.00 N ATOM 892 CA VAL A 58 6.569 8.711 -13.534 1.00 0.00 C ATOM 893 C VAL A 58 5.541 8.591 -14.653 1.00 0.00 C ATOM 894 O VAL A 58 5.210 9.575 -15.314 1.00 0.00 O ATOM 895 CB VAL A 58 7.906 8.115 -14.013 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.428 8.878 -15.221 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.927 8.123 -12.885 1.00 0.00 C ATOM 0 H VAL A 58 6.654 7.246 -12.036 1.00 0.00 H new ATOM 0 HA VAL A 58 6.715 9.763 -13.291 1.00 0.00 H new ATOM 0 HB VAL A 58 7.737 7.081 -14.312 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.373 8.443 -15.546 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.702 8.816 -16.032 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.583 9.923 -14.952 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.866 7.698 -13.241 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.095 9.148 -12.553 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.553 7.529 -12.051 1.00 0.00 H new ATOM 907 N SER A 59 5.040 7.377 -14.861 1.00 0.00 N ATOM 908 CA SER A 59 4.051 7.127 -15.903 1.00 0.00 C ATOM 909 C SER A 59 2.772 7.916 -15.640 1.00 0.00 C ATOM 910 O SER A 59 2.056 8.287 -16.569 1.00 0.00 O ATOM 911 CB SER A 59 3.734 5.633 -15.987 1.00 0.00 C ATOM 912 OG SER A 59 3.018 5.329 -17.172 1.00 0.00 O ATOM 0 H SER A 59 5.303 6.552 -14.322 1.00 0.00 H new ATOM 0 HA SER A 59 4.471 7.456 -16.854 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.661 5.059 -15.961 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.149 5.333 -15.118 1.00 0.00 H new ATOM 0 HG SER A 59 2.829 4.368 -17.203 1.00 0.00 H new ATOM 918 N ASN A 60 2.492 8.167 -14.365 1.00 0.00 N ATOM 919 CA ASN A 60 1.298 8.911 -13.977 1.00 0.00 C ATOM 920 C ASN A 60 1.551 10.414 -14.038 1.00 0.00 C ATOM 921 O ASN A 60 0.734 11.209 -13.574 1.00 0.00 O ATOM 922 CB ASN A 60 0.860 8.512 -12.567 1.00 0.00 C ATOM 923 CG ASN A 60 0.014 7.253 -12.559 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.147 7.275 -12.150 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.594 6.148 -13.012 1.00 0.00 N ATOM 0 H ASN A 60 3.075 7.867 -13.584 1.00 0.00 H new ATOM 0 HA ASN A 60 0.502 8.666 -14.680 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.742 8.358 -11.945 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.294 9.330 -12.120 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.075 5.270 -13.031 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.559 6.177 -13.341 1.00 0.00 H new ATOM 932 N GLN A 61 2.688 10.795 -14.612 1.00 0.00 N ATOM 933 CA GLN A 61 3.048 12.203 -14.732 1.00 0.00 C ATOM 934 C GLN A 61 3.074 12.877 -13.364 1.00 0.00 C ATOM 935 O GLN A 61 2.814 14.075 -13.247 1.00 0.00 O ATOM 936 CB GLN A 61 2.063 12.926 -15.652 1.00 0.00 C ATOM 937 CG GLN A 61 1.864 12.238 -16.992 1.00 0.00 C ATOM 938 CD GLN A 61 0.577 12.655 -17.677 1.00 0.00 C ATOM 939 OE1 GLN A 61 -0.129 13.547 -17.207 1.00 0.00 O ATOM 940 NE2 GLN A 61 0.266 12.009 -18.795 1.00 0.00 N ATOM 0 H GLN A 61 3.375 10.149 -15.001 1.00 0.00 H new ATOM 0 HA GLN A 61 4.047 12.261 -15.164 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.100 13.006 -15.148 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.418 13.942 -15.824 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.708 12.467 -17.643 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.859 11.158 -16.844 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.881 11.276 -19.148 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.588 12.246 -19.300 1.00 0.00 H new ATOM 949 N SER A 62 3.389 12.100 -12.333 1.00 0.00 N ATOM 950 CA SER A 62 3.445 12.621 -10.972 1.00 0.00 C ATOM 951 C SER A 62 4.839 13.153 -10.651 1.00 0.00 C ATOM 952 O SER A 62 4.991 14.106 -9.887 1.00 0.00 O ATOM 953 CB SER A 62 3.058 11.532 -9.970 1.00 0.00 C ATOM 954 OG SER A 62 1.688 11.191 -10.091 1.00 0.00 O ATOM 0 H SER A 62 3.609 11.107 -12.414 1.00 0.00 H new ATOM 0 HA SER A 62 2.735 13.444 -10.895 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.672 10.647 -10.135 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.262 11.877 -8.956 1.00 0.00 H new ATOM 0 HG SER A 62 1.466 10.492 -9.441 1.00 0.00 H new ATOM 960 N VAL A 63 5.854 12.528 -11.240 1.00 0.00 N ATOM 961 CA VAL A 63 7.235 12.938 -11.018 1.00 0.00 C ATOM 962 C VAL A 63 7.944 13.217 -12.339 1.00 0.00 C ATOM 963 O VAL A 63 7.475 12.815 -13.404 1.00 0.00 O ATOM 964 CB VAL A 63 8.021 11.864 -10.243 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.635 11.877 -8.772 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.787 10.489 -10.852 1.00 0.00 C ATOM 0 H VAL A 63 5.745 11.736 -11.874 1.00 0.00 H new ATOM 0 HA VAL A 63 7.203 13.852 -10.426 1.00 0.00 H new ATOM 0 HB VAL A 63 9.084 12.093 -10.317 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.201 11.112 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.859 12.855 -8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.569 11.674 -8.674 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.350 9.742 -10.292 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.725 10.249 -10.811 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.119 10.490 -11.890 1.00 0.00 H new ATOM 976 N ARG A 64 9.078 13.907 -12.261 1.00 0.00 N ATOM 977 CA ARG A 64 9.852 14.240 -13.451 1.00 0.00 C ATOM 978 C ARG A 64 10.676 13.043 -13.916 1.00 0.00 C ATOM 979 O ARG A 64 10.914 12.868 -15.110 1.00 0.00 O ATOM 980 CB ARG A 64 10.773 15.429 -13.169 1.00 0.00 C ATOM 981 CG ARG A 64 10.037 16.668 -12.684 1.00 0.00 C ATOM 982 CD ARG A 64 10.883 17.920 -12.856 1.00 0.00 C ATOM 983 NE ARG A 64 11.920 18.024 -11.834 1.00 0.00 N ATOM 984 CZ ARG A 64 12.784 19.031 -11.763 1.00 0.00 C ATOM 985 NH1 ARG A 64 12.734 20.015 -12.650 1.00 0.00 N ATOM 986 NH2 ARG A 64 13.700 19.055 -10.803 1.00 0.00 N ATOM 0 H ARG A 64 9.480 14.246 -11.387 1.00 0.00 H new ATOM 0 HA ARG A 64 9.155 14.509 -14.245 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.509 15.138 -12.420 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.323 15.676 -14.077 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.104 16.779 -13.237 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.772 16.548 -11.634 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.346 17.912 -13.843 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.241 18.800 -12.812 1.00 0.00 H new ATOM 0 HE ARG A 64 11.985 17.283 -11.136 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.031 20.000 -13.389 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.398 20.787 -12.593 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.741 18.300 -10.119 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.363 19.829 -10.750 1.00 0.00 H new ATOM 1000 N ASN A 65 11.110 12.224 -12.964 1.00 0.00 N ATOM 1001 CA ASN A 65 11.909 11.044 -13.276 1.00 0.00 C ATOM 1002 C ASN A 65 11.843 10.027 -12.141 1.00 0.00 C ATOM 1003 O ASN A 65 11.109 10.212 -11.170 1.00 0.00 O ATOM 1004 CB ASN A 65 13.363 11.442 -13.535 1.00 0.00 C ATOM 1005 CG ASN A 65 14.180 11.511 -12.260 1.00 0.00 C ATOM 1006 OD1 ASN A 65 15.103 10.722 -12.056 1.00 0.00 O ATOM 1007 ND2 ASN A 65 13.844 12.459 -11.393 1.00 0.00 N ATOM 0 H ASN A 65 10.922 12.355 -11.970 1.00 0.00 H new ATOM 0 HA ASN A 65 11.499 10.585 -14.176 1.00 0.00 H new ATOM 0 HB2 ASN A 65 13.818 10.723 -14.216 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.388 12.412 -14.032 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.358 12.555 -10.517 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.072 13.092 -11.603 1.00 0.00 H new ATOM 1014 N ARG A 66 12.615 8.953 -12.271 1.00 0.00 N ATOM 1015 CA ARG A 66 12.644 7.905 -11.257 1.00 0.00 C ATOM 1016 C ARG A 66 13.012 8.480 -9.893 1.00 0.00 C ATOM 1017 O ARG A 66 12.244 8.374 -8.937 1.00 0.00 O ATOM 1018 CB ARG A 66 13.642 6.814 -11.649 1.00 0.00 C ATOM 1019 CG ARG A 66 13.038 5.718 -12.511 1.00 0.00 C ATOM 1020 CD ARG A 66 12.990 6.123 -13.976 1.00 0.00 C ATOM 1021 NE ARG A 66 12.083 5.278 -14.748 1.00 0.00 N ATOM 1022 CZ ARG A 66 12.036 5.271 -16.076 1.00 0.00 C ATOM 1023 NH1 ARG A 66 12.840 6.060 -16.775 1.00 0.00 N ATOM 1024 NH2 ARG A 66 11.183 4.474 -16.707 1.00 0.00 N ATOM 0 H ARG A 66 13.229 8.786 -13.068 1.00 0.00 H new ATOM 0 HA ARG A 66 11.647 7.469 -11.192 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.474 7.270 -12.186 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.053 6.367 -10.744 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.624 4.805 -12.404 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.030 5.493 -12.162 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.672 7.163 -14.054 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.992 6.063 -14.402 1.00 0.00 H new ATOM 0 HE ARG A 66 11.451 4.659 -14.240 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.497 6.674 -16.294 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.802 6.053 -17.794 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.562 3.866 -16.173 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.148 4.470 -17.726 1.00 0.00 H new ATOM 1038 N GLN A 67 14.192 9.087 -9.810 1.00 0.00 N ATOM 1039 CA GLN A 67 14.661 9.677 -8.562 1.00 0.00 C ATOM 1040 C GLN A 67 13.552 10.476 -7.887 1.00 0.00 C ATOM 1041 O GLN A 67 13.288 10.305 -6.697 1.00 0.00 O ATOM 1042 CB GLN A 67 15.870 10.577 -8.823 1.00 0.00 C ATOM 1043 CG GLN A 67 17.201 9.848 -8.742 1.00 0.00 C ATOM 1044 CD GLN A 67 17.786 9.852 -7.344 1.00 0.00 C ATOM 1045 OE1 GLN A 67 17.453 10.706 -6.522 1.00 0.00 O ATOM 1046 NE2 GLN A 67 18.662 8.894 -7.065 1.00 0.00 N ATOM 0 H GLN A 67 14.840 9.183 -10.592 1.00 0.00 H new ATOM 0 HA GLN A 67 14.957 8.868 -7.894 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.771 11.026 -9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.868 11.393 -8.100 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.067 8.818 -9.072 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.908 10.314 -9.429 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.909 8.206 -7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 67 19.087 8.846 -6.139 1.00 0.00 H new ATOM 1055 N GLU A 68 12.907 11.349 -8.654 1.00 0.00 N ATOM 1056 CA GLU A 68 11.827 12.176 -8.128 1.00 0.00 C ATOM 1057 C GLU A 68 10.777 11.318 -7.429 1.00 0.00 C ATOM 1058 O GLU A 68 10.209 11.718 -6.413 1.00 0.00 O ATOM 1059 CB GLU A 68 11.176 12.981 -9.254 1.00 0.00 C ATOM 1060 CG GLU A 68 11.890 14.288 -9.559 1.00 0.00 C ATOM 1061 CD GLU A 68 12.092 15.145 -8.325 1.00 0.00 C ATOM 1062 OE1 GLU A 68 11.289 15.016 -7.377 1.00 0.00 O ATOM 1063 OE2 GLU A 68 13.051 15.943 -8.306 1.00 0.00 O ATOM 0 H GLU A 68 13.113 11.502 -9.641 1.00 0.00 H new ATOM 0 HA GLU A 68 12.253 12.865 -7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.150 12.371 -10.157 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.142 13.196 -8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.859 14.072 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.314 14.849 -10.296 1.00 0.00 H new ATOM 1070 N GLY A 69 10.523 10.136 -7.981 1.00 0.00 N ATOM 1071 CA GLY A 69 9.541 9.240 -7.399 1.00 0.00 C ATOM 1072 C GLY A 69 10.057 8.544 -6.155 1.00 0.00 C ATOM 1073 O GLY A 69 9.281 7.970 -5.389 1.00 0.00 O ATOM 0 H GLY A 69 10.980 9.783 -8.822 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.642 9.804 -7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.254 8.492 -8.138 1.00 0.00 H new ATOM 1077 N LEU A 70 11.368 8.594 -5.952 1.00 0.00 N ATOM 1078 CA LEU A 70 11.988 7.962 -4.792 1.00 0.00 C ATOM 1079 C LEU A 70 11.432 8.542 -3.495 1.00 0.00 C ATOM 1080 O LEU A 70 10.944 7.808 -2.635 1.00 0.00 O ATOM 1081 CB LEU A 70 13.506 8.146 -4.836 1.00 0.00 C ATOM 1082 CG LEU A 70 14.339 6.976 -4.311 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.773 6.466 -2.995 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.394 5.856 -5.340 1.00 0.00 C ATOM 0 H LEU A 70 12.023 9.066 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 70 11.756 6.897 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.799 8.340 -5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.761 9.035 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 70 15.355 7.329 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.379 5.634 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.787 7.269 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.747 6.130 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.991 5.032 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.384 5.505 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.847 6.228 -6.259 1.00 0.00 H new ATOM 1096 N MET A 71 11.507 9.862 -3.362 1.00 0.00 N ATOM 1097 CA MET A 71 11.008 10.540 -2.171 1.00 0.00 C ATOM 1098 C MET A 71 9.535 10.218 -1.940 1.00 0.00 C ATOM 1099 O MET A 71 9.160 9.711 -0.882 1.00 0.00 O ATOM 1100 CB MET A 71 11.198 12.052 -2.302 1.00 0.00 C ATOM 1101 CG MET A 71 12.560 12.449 -2.847 1.00 0.00 C ATOM 1102 SD MET A 71 13.920 11.688 -1.940 1.00 0.00 S ATOM 1103 CE MET A 71 15.100 11.420 -3.260 1.00 0.00 C ATOM 0 H MET A 71 11.908 10.484 -4.064 1.00 0.00 H new ATOM 0 HA MET A 71 11.578 10.183 -1.313 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.423 12.452 -2.957 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.059 12.513 -1.324 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.624 12.164 -3.897 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.662 13.533 -2.805 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.766 10.600 -2.992 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.568 11.171 -4.178 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.685 12.327 -3.414 1.00 0.00 H new ATOM 1113 N ILE A 72 8.706 10.516 -2.934 1.00 0.00 N ATOM 1114 CA ILE A 72 7.274 10.257 -2.838 1.00 0.00 C ATOM 1115 C ILE A 72 7.004 8.827 -2.383 1.00 0.00 C ATOM 1116 O ILE A 72 6.069 8.573 -1.624 1.00 0.00 O ATOM 1117 CB ILE A 72 6.567 10.498 -4.185 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.770 11.945 -4.640 1.00 0.00 C ATOM 1119 CG2 ILE A 72 5.085 10.176 -4.069 1.00 0.00 C ATOM 1120 CD1 ILE A 72 6.141 12.963 -3.715 1.00 0.00 C ATOM 0 H ILE A 72 9.001 10.937 -3.815 1.00 0.00 H new ATOM 0 HA ILE A 72 6.876 10.952 -2.099 1.00 0.00 H new ATOM 0 HB ILE A 72 7.005 9.837 -4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.838 12.147 -4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.351 12.066 -5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.598 10.351 -5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.961 9.131 -3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.632 10.815 -3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.325 13.966 -4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.067 12.787 -3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.578 12.870 -2.721 1.00 0.00 H new ATOM 1132 N ALA A 73 7.829 7.897 -2.851 1.00 0.00 N ATOM 1133 CA ALA A 73 7.681 6.493 -2.489 1.00 0.00 C ATOM 1134 C ALA A 73 8.135 6.245 -1.055 1.00 0.00 C ATOM 1135 O ALA A 73 7.602 5.374 -0.367 1.00 0.00 O ATOM 1136 CB ALA A 73 8.465 5.614 -3.453 1.00 0.00 C ATOM 0 H ALA A 73 8.607 8.090 -3.482 1.00 0.00 H new ATOM 0 HA ALA A 73 6.624 6.235 -2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.346 4.568 -3.171 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.091 5.762 -4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.521 5.882 -3.413 1.00 0.00 H new ATOM 1142 N SER A 74 9.123 7.015 -0.610 1.00 0.00 N ATOM 1143 CA SER A 74 9.652 6.875 0.742 1.00 0.00 C ATOM 1144 C SER A 74 8.657 7.403 1.771 1.00 0.00 C ATOM 1145 O SER A 74 8.448 6.791 2.819 1.00 0.00 O ATOM 1146 CB SER A 74 10.981 7.621 0.872 1.00 0.00 C ATOM 1147 OG SER A 74 10.777 9.023 0.916 1.00 0.00 O ATOM 0 H SER A 74 9.573 7.742 -1.166 1.00 0.00 H new ATOM 0 HA SER A 74 9.818 5.815 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.497 7.297 1.776 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.626 7.370 0.030 1.00 0.00 H new ATOM 0 HG SER A 74 10.198 9.293 0.173 1.00 0.00 H new ATOM 1153 N SER A 75 8.046 8.543 1.465 1.00 0.00 N ATOM 1154 CA SER A 75 7.076 9.156 2.364 1.00 0.00 C ATOM 1155 C SER A 75 5.878 8.236 2.581 1.00 0.00 C ATOM 1156 O SER A 75 5.377 8.103 3.698 1.00 0.00 O ATOM 1157 CB SER A 75 6.606 10.499 1.803 1.00 0.00 C ATOM 1158 OG SER A 75 6.637 10.499 0.386 1.00 0.00 O ATOM 0 H SER A 75 8.206 9.061 0.601 1.00 0.00 H new ATOM 0 HA SER A 75 7.563 9.322 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.593 10.706 2.148 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.242 11.298 2.184 1.00 0.00 H new ATOM 0 HG SER A 75 6.261 9.659 0.051 1.00 0.00 H new ATOM 1164 N LEU A 76 5.425 7.602 1.505 1.00 0.00 N ATOM 1165 CA LEU A 76 4.286 6.693 1.575 1.00 0.00 C ATOM 1166 C LEU A 76 4.486 5.654 2.673 1.00 0.00 C ATOM 1167 O LEU A 76 3.532 5.243 3.335 1.00 0.00 O ATOM 1168 CB LEU A 76 4.080 5.997 0.229 1.00 0.00 C ATOM 1169 CG LEU A 76 3.336 6.802 -0.837 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.462 6.133 -2.196 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.872 6.967 -0.455 1.00 0.00 C ATOM 0 H LEU A 76 5.829 7.701 0.574 1.00 0.00 H new ATOM 0 HA LEU A 76 3.398 7.279 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.057 5.722 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.534 5.070 0.402 1.00 0.00 H new ATOM 0 HG LEU A 76 3.789 7.792 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.926 6.720 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.514 6.067 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.036 5.131 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.358 7.542 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.407 5.985 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.801 7.492 0.498 1.00 0.00 H new ATOM 1183 N LEU A 77 5.732 5.234 2.863 1.00 0.00 N ATOM 1184 CA LEU A 77 6.058 4.243 3.883 1.00 0.00 C ATOM 1185 C LEU A 77 6.094 4.880 5.269 1.00 0.00 C ATOM 1186 O LEU A 77 5.810 4.226 6.271 1.00 0.00 O ATOM 1187 CB LEU A 77 7.407 3.590 3.575 1.00 0.00 C ATOM 1188 CG LEU A 77 7.360 2.336 2.700 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.755 1.970 2.218 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.735 1.177 3.462 1.00 0.00 C ATOM 0 H LEU A 77 6.533 5.564 2.324 1.00 0.00 H new ATOM 0 HA LEU A 77 5.281 3.479 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.042 4.328 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.888 3.333 4.519 1.00 0.00 H new ATOM 0 HG LEU A 77 6.740 2.547 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.702 1.076 1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.166 2.794 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.398 1.778 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.710 0.294 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.327 0.965 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.719 1.441 3.757 1.00 0.00 H new ATOM 1202 N ASN A 78 6.444 6.161 5.316 1.00 0.00 N ATOM 1203 CA ASN A 78 6.516 6.887 6.579 1.00 0.00 C ATOM 1204 C ASN A 78 5.125 7.076 7.178 1.00 0.00 C ATOM 1205 O ASN A 78 4.949 7.011 8.394 1.00 0.00 O ATOM 1206 CB ASN A 78 7.182 8.249 6.372 1.00 0.00 C ATOM 1207 CG ASN A 78 8.694 8.174 6.473 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.243 7.917 7.544 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.373 8.400 5.355 1.00 0.00 N ATOM 0 H ASN A 78 6.682 6.718 4.495 1.00 0.00 H new ATOM 0 HA ASN A 78 7.115 6.298 7.273 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.905 8.641 5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.805 8.952 7.115 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.392 8.364 5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.875 8.609 4.490 1.00 0.00 H new ATOM 1216 N GLU A 79 4.142 7.308 6.315 1.00 0.00 N ATOM 1217 CA GLU A 79 2.767 7.505 6.759 1.00 0.00 C ATOM 1218 C GLU A 79 2.085 6.167 7.030 1.00 0.00 C ATOM 1219 O GLU A 79 1.302 6.036 7.970 1.00 0.00 O ATOM 1220 CB GLU A 79 1.976 8.290 5.710 1.00 0.00 C ATOM 1221 CG GLU A 79 2.547 9.668 5.422 1.00 0.00 C ATOM 1222 CD GLU A 79 2.360 10.631 6.578 1.00 0.00 C ATOM 1223 OE1 GLU A 79 1.299 10.569 7.234 1.00 0.00 O ATOM 1224 OE2 GLU A 79 3.273 11.445 6.827 1.00 0.00 O ATOM 0 H GLU A 79 4.272 7.364 5.305 1.00 0.00 H new ATOM 0 HA GLU A 79 2.791 8.075 7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.949 7.716 4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.946 8.397 6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.610 9.577 5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.068 10.077 4.532 1.00 0.00 H new ATOM 1231 N GLY A 80 2.389 5.175 6.198 1.00 0.00 N ATOM 1232 CA GLY A 80 1.797 3.861 6.364 1.00 0.00 C ATOM 1233 C GLY A 80 1.098 3.377 5.108 1.00 0.00 C ATOM 1234 O GLY A 80 0.737 2.205 5.003 1.00 0.00 O ATOM 0 H GLY A 80 3.034 5.258 5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.574 3.148 6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.082 3.889 7.186 1.00 0.00 H new ATOM 1238 N TYR A 81 0.906 4.282 4.155 1.00 0.00 N ATOM 1239 CA TYR A 81 0.242 3.942 2.902 1.00 0.00 C ATOM 1240 C TYR A 81 0.819 2.660 2.310 1.00 0.00 C ATOM 1241 O TYR A 81 0.097 1.852 1.724 1.00 0.00 O ATOM 1242 CB TYR A 81 0.382 5.089 1.899 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.380 6.334 2.294 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.768 6.334 2.353 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.289 7.511 2.606 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.468 7.470 2.713 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.402 8.651 2.967 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.780 8.626 3.019 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.473 9.759 3.378 1.00 0.00 O ATOM 0 H TYR A 81 1.200 5.256 4.226 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.815 3.779 3.113 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.437 5.338 1.790 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.031 4.752 0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.309 5.431 2.113 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.368 7.535 2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.547 7.453 2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.134 9.557 3.207 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.841 10.485 3.563 1.00 0.00 H new ATOM 1259 N LEU A 82 2.126 2.480 2.466 1.00 0.00 N ATOM 1260 CA LEU A 82 2.803 1.296 1.948 1.00 0.00 C ATOM 1261 C LEU A 82 3.510 0.540 3.067 1.00 0.00 C ATOM 1262 O LEU A 82 4.018 1.143 4.012 1.00 0.00 O ATOM 1263 CB LEU A 82 3.811 1.693 0.868 1.00 0.00 C ATOM 1264 CG LEU A 82 3.232 2.360 -0.379 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.344 2.938 -1.241 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.397 1.368 -1.176 1.00 0.00 C ATOM 0 H LEU A 82 2.738 3.139 2.947 1.00 0.00 H new ATOM 0 HA LEU A 82 2.051 0.639 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.541 2.370 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.353 0.799 0.559 1.00 0.00 H new ATOM 0 HG LEU A 82 2.584 3.177 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.912 3.409 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.899 3.681 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.018 2.139 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.993 1.861 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.022 0.529 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.577 1.003 -0.557 1.00 0.00 H new ATOM 1278 N GLN A 83 3.539 -0.784 2.953 1.00 0.00 N ATOM 1279 CA GLN A 83 4.186 -1.623 3.956 1.00 0.00 C ATOM 1280 C GLN A 83 5.268 -2.492 3.322 1.00 0.00 C ATOM 1281 O GLN A 83 5.091 -3.058 2.244 1.00 0.00 O ATOM 1282 CB GLN A 83 3.152 -2.505 4.657 1.00 0.00 C ATOM 1283 CG GLN A 83 2.179 -1.727 5.527 1.00 0.00 C ATOM 1284 CD GLN A 83 2.754 -1.389 6.888 1.00 0.00 C ATOM 1285 OE1 GLN A 83 3.545 -2.150 7.447 1.00 0.00 O ATOM 1286 NE2 GLN A 83 2.360 -0.243 7.430 1.00 0.00 N ATOM 0 H GLN A 83 3.123 -1.299 2.177 1.00 0.00 H new ATOM 0 HA GLN A 83 4.655 -0.970 4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.591 -3.060 3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.671 -3.239 5.274 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.898 -0.806 5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.267 -2.310 5.657 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.703 0.357 6.932 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.714 0.037 8.345 1.00 0.00 H new ATOM 1295 N PRO A 84 6.416 -2.600 4.007 1.00 0.00 N ATOM 1296 CA PRO A 84 7.550 -3.398 3.531 1.00 0.00 C ATOM 1297 C PRO A 84 7.265 -4.896 3.579 1.00 0.00 C ATOM 1298 O PRO A 84 6.600 -5.381 4.494 1.00 0.00 O ATOM 1299 CB PRO A 84 8.674 -3.036 4.505 1.00 0.00 C ATOM 1300 CG PRO A 84 7.973 -2.607 5.748 1.00 0.00 C ATOM 1301 CD PRO A 84 6.696 -1.952 5.300 1.00 0.00 C ATOM 0 HA PRO A 84 7.787 -3.187 2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.326 -3.889 4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.300 -2.237 4.108 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.768 -3.460 6.394 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.587 -1.913 6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.889 -2.115 6.014 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.814 -0.874 5.192 1.00 0.00 H new ATOM 1309 N ALA A 85 7.774 -5.623 2.590 1.00 0.00 N ATOM 1310 CA ALA A 85 7.576 -7.065 2.522 1.00 0.00 C ATOM 1311 C ALA A 85 8.883 -7.784 2.204 1.00 0.00 C ATOM 1312 O ALA A 85 9.345 -7.778 1.064 1.00 0.00 O ATOM 1313 CB ALA A 85 6.519 -7.404 1.482 1.00 0.00 C ATOM 0 H ALA A 85 8.327 -5.237 1.825 1.00 0.00 H new ATOM 0 HA ALA A 85 7.232 -7.406 3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.381 -8.485 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.577 -6.928 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.841 -7.043 0.505 1.00 0.00 H new ATOM 1319 N GLY A 86 9.476 -8.402 3.222 1.00 0.00 N ATOM 1320 CA GLY A 86 10.725 -9.116 3.030 1.00 0.00 C ATOM 1321 C GLY A 86 11.895 -8.429 3.706 1.00 0.00 C ATOM 1322 O GLY A 86 11.834 -7.237 4.007 1.00 0.00 O ATOM 0 H GLY A 86 9.114 -8.421 4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.626 -10.128 3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.928 -9.207 1.963 1.00 0.00 H new ATOM 1326 N ASP A 87 12.962 -9.182 3.946 1.00 0.00 N ATOM 1327 CA ASP A 87 14.152 -8.638 4.591 1.00 0.00 C ATOM 1328 C ASP A 87 14.760 -7.518 3.754 1.00 0.00 C ATOM 1329 O ASP A 87 15.357 -6.584 4.289 1.00 0.00 O ATOM 1330 CB ASP A 87 15.186 -9.743 4.816 1.00 0.00 C ATOM 1331 CG ASP A 87 16.130 -9.428 5.959 1.00 0.00 C ATOM 1332 OD1 ASP A 87 17.045 -8.601 5.761 1.00 0.00 O ATOM 1333 OD2 ASP A 87 15.956 -10.008 7.051 1.00 0.00 O ATOM 0 H ASP A 87 13.028 -10.171 3.704 1.00 0.00 H new ATOM 0 HA ASP A 87 13.856 -8.226 5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.671 -10.682 5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.762 -9.889 3.902 1.00 0.00 H new ATOM 1338 N MET A 88 14.606 -7.618 2.437 1.00 0.00 N ATOM 1339 CA MET A 88 15.140 -6.613 1.526 1.00 0.00 C ATOM 1340 C MET A 88 14.814 -5.206 2.018 1.00 0.00 C ATOM 1341 O MET A 88 15.712 -4.417 2.309 1.00 0.00 O ATOM 1342 CB MET A 88 14.576 -6.818 0.119 1.00 0.00 C ATOM 1343 CG MET A 88 15.135 -5.845 -0.907 1.00 0.00 C ATOM 1344 SD MET A 88 16.698 -6.401 -1.612 1.00 0.00 S ATOM 1345 CE MET A 88 16.963 -5.157 -2.873 1.00 0.00 C ATOM 0 H MET A 88 14.116 -8.385 1.978 1.00 0.00 H new ATOM 0 HA MET A 88 16.224 -6.726 1.495 1.00 0.00 H new ATOM 0 HB2 MET A 88 14.789 -7.837 -0.204 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.491 -6.715 0.152 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.408 -5.710 -1.707 1.00 0.00 H new ATOM 0 HG3 MET A 88 15.278 -4.871 -0.438 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.895 -5.365 -3.399 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.135 -5.175 -3.581 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.021 -4.173 -2.407 1.00 0.00 H new ATOM 1355 N SER A 89 13.524 -4.899 2.106 1.00 0.00 N ATOM 1356 CA SER A 89 13.080 -3.586 2.558 1.00 0.00 C ATOM 1357 C SER A 89 13.112 -3.496 4.081 1.00 0.00 C ATOM 1358 O SER A 89 13.671 -2.556 4.648 1.00 0.00 O ATOM 1359 CB SER A 89 11.666 -3.299 2.049 1.00 0.00 C ATOM 1360 OG SER A 89 11.159 -2.097 2.602 1.00 0.00 O ATOM 0 H SER A 89 12.768 -5.542 1.870 1.00 0.00 H new ATOM 0 HA SER A 89 13.763 -2.840 2.153 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.675 -3.227 0.961 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.008 -4.128 2.308 1.00 0.00 H new ATOM 0 HG SER A 89 10.954 -1.466 1.881 1.00 0.00 H new ATOM 1366 N LYS A 90 12.508 -4.480 4.738 1.00 0.00 N ATOM 1367 CA LYS A 90 12.468 -4.515 6.195 1.00 0.00 C ATOM 1368 C LYS A 90 13.757 -3.957 6.789 1.00 0.00 C ATOM 1369 O LYS A 90 13.749 -3.366 7.869 1.00 0.00 O ATOM 1370 CB LYS A 90 12.246 -5.948 6.686 1.00 0.00 C ATOM 1371 CG LYS A 90 10.781 -6.342 6.769 1.00 0.00 C ATOM 1372 CD LYS A 90 10.578 -7.539 7.682 1.00 0.00 C ATOM 1373 CE LYS A 90 9.218 -8.184 7.461 1.00 0.00 C ATOM 1374 NZ LYS A 90 9.178 -9.583 7.969 1.00 0.00 N ATOM 0 H LYS A 90 12.039 -5.264 4.284 1.00 0.00 H new ATOM 0 HA LYS A 90 11.637 -3.891 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.761 -6.637 6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.700 -6.060 7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.197 -5.499 7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.409 -6.576 5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.364 -8.273 7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.668 -7.224 8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.451 -7.594 7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.982 -8.177 6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.235 -9.987 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.893 -10.153 7.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.378 -9.588 8.990 1.00 0.00 H new ATOM 1388 N SER A 91 14.862 -4.147 6.076 1.00 0.00 N ATOM 1389 CA SER A 91 16.160 -3.664 6.535 1.00 0.00 C ATOM 1390 C SER A 91 16.300 -2.165 6.287 1.00 0.00 C ATOM 1391 O SER A 91 16.695 -1.413 7.177 1.00 0.00 O ATOM 1392 CB SER A 91 17.287 -4.417 5.826 1.00 0.00 C ATOM 1393 OG SER A 91 18.542 -3.809 6.075 1.00 0.00 O ATOM 0 H SER A 91 14.885 -4.632 5.179 1.00 0.00 H new ATOM 0 HA SER A 91 16.230 -3.845 7.608 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.307 -5.452 6.166 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.096 -4.438 4.753 1.00 0.00 H new ATOM 0 HG SER A 91 19.246 -4.310 5.612 1.00 0.00 H new ATOM 1399 N ALA A 92 15.975 -1.740 5.071 1.00 0.00 N ATOM 1400 CA ALA A 92 16.062 -0.331 4.706 1.00 0.00 C ATOM 1401 C ALA A 92 15.198 0.528 5.623 1.00 0.00 C ATOM 1402 O ALA A 92 15.608 1.610 6.044 1.00 0.00 O ATOM 1403 CB ALA A 92 15.651 -0.136 3.254 1.00 0.00 C ATOM 0 H ALA A 92 15.649 -2.351 4.322 1.00 0.00 H new ATOM 0 HA ALA A 92 17.098 -0.013 4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.721 0.920 2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.313 -0.712 2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.624 -0.476 3.118 1.00 0.00 H new ATOM 1409 N VAL A 93 14.000 0.040 5.928 1.00 0.00 N ATOM 1410 CA VAL A 93 13.078 0.764 6.796 1.00 0.00 C ATOM 1411 C VAL A 93 13.643 0.901 8.205 1.00 0.00 C ATOM 1412 O VAL A 93 13.147 1.691 9.009 1.00 0.00 O ATOM 1413 CB VAL A 93 11.709 0.062 6.869 1.00 0.00 C ATOM 1414 CG1 VAL A 93 11.009 0.112 5.520 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.872 -1.375 7.341 1.00 0.00 C ATOM 0 H VAL A 93 13.645 -0.853 5.587 1.00 0.00 H new ATOM 0 HA VAL A 93 12.947 1.756 6.363 1.00 0.00 H new ATOM 0 HB VAL A 93 11.088 0.590 7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.044 -0.389 5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.858 1.151 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.623 -0.390 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.895 -1.856 7.387 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.511 -1.917 6.644 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.327 -1.383 8.331 1.00 0.00 H new ATOM 1425 N ASP A 94 14.683 0.129 8.497 1.00 0.00 N ATOM 1426 CA ASP A 94 15.318 0.165 9.810 1.00 0.00 C ATOM 1427 C ASP A 94 15.781 1.578 10.150 1.00 0.00 C ATOM 1428 O ASP A 94 15.626 2.038 11.281 1.00 0.00 O ATOM 1429 CB ASP A 94 16.505 -0.798 9.853 1.00 0.00 C ATOM 1430 CG ASP A 94 16.895 -1.174 11.269 1.00 0.00 C ATOM 1431 OD1 ASP A 94 16.737 -0.326 12.172 1.00 0.00 O ATOM 1432 OD2 ASP A 94 17.358 -2.316 11.474 1.00 0.00 O ATOM 0 H ASP A 94 15.105 -0.530 7.843 1.00 0.00 H new ATOM 0 HA ASP A 94 14.582 -0.146 10.551 1.00 0.00 H new ATOM 0 HB2 ASP A 94 16.257 -1.701 9.296 1.00 0.00 H new ATOM 0 HB3 ASP A 94 17.359 -0.340 9.354 1.00 0.00 H new ATOM 1483 N ASN A 99 16.723 6.599 3.132 1.00 0.00 N ATOM 1484 CA ASN A 99 15.406 6.330 2.568 1.00 0.00 C ATOM 1485 C ASN A 99 14.982 4.890 2.838 1.00 0.00 C ATOM 1486 O ASN A 99 15.639 3.935 2.423 1.00 0.00 O ATOM 1487 CB ASN A 99 15.409 6.599 1.062 1.00 0.00 C ATOM 1488 CG ASN A 99 16.695 6.147 0.397 1.00 0.00 C ATOM 1489 OD1 ASN A 99 17.051 4.970 0.444 1.00 0.00 O ATOM 1490 ND2 ASN A 99 17.398 7.084 -0.228 1.00 0.00 N ATOM 0 HA ASN A 99 14.690 6.997 3.048 1.00 0.00 H new ATOM 0 HB2 ASN A 99 14.565 6.085 0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 99 15.267 7.665 0.886 1.00 0.00 H new ATOM 0 HD21 ASN A 99 18.272 6.840 -0.695 1.00 0.00 H new ATOM 0 HD22 ASN A 99 17.065 8.048 -0.242 1.00 0.00 H new ATOM 1497 N PRO A 100 13.857 4.728 3.550 1.00 0.00 N ATOM 1498 CA PRO A 100 13.319 3.408 3.891 1.00 0.00 C ATOM 1499 C PRO A 100 12.770 2.673 2.673 1.00 0.00 C ATOM 1500 O PRO A 100 12.291 1.544 2.780 1.00 0.00 O ATOM 1501 CB PRO A 100 12.191 3.728 4.876 1.00 0.00 C ATOM 1502 CG PRO A 100 11.776 5.118 4.538 1.00 0.00 C ATOM 1503 CD PRO A 100 13.023 5.821 4.077 1.00 0.00 C ATOM 0 HA PRO A 100 14.085 2.749 4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.361 3.030 4.768 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.535 3.657 5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 100 11.016 5.119 3.757 1.00 0.00 H new ATOM 0 HG3 PRO A 100 11.344 5.618 5.405 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.805 6.565 3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.516 6.343 4.897 1.00 0.00 H new ATOM 1511 N PHE A 101 12.842 3.321 1.515 1.00 0.00 N ATOM 1512 CA PHE A 101 12.352 2.729 0.276 1.00 0.00 C ATOM 1513 C PHE A 101 13.512 2.304 -0.620 1.00 0.00 C ATOM 1514 O PHE A 101 14.651 2.728 -0.423 1.00 0.00 O ATOM 1515 CB PHE A 101 11.455 3.721 -0.468 1.00 0.00 C ATOM 1516 CG PHE A 101 10.543 3.070 -1.468 1.00 0.00 C ATOM 1517 CD1 PHE A 101 10.994 2.765 -2.742 1.00 0.00 C ATOM 1518 CD2 PHE A 101 9.233 2.763 -1.135 1.00 0.00 C ATOM 1519 CE1 PHE A 101 10.157 2.168 -3.665 1.00 0.00 C ATOM 1520 CE2 PHE A 101 8.391 2.165 -2.053 1.00 0.00 C ATOM 1521 CZ PHE A 101 8.854 1.866 -3.319 1.00 0.00 C ATOM 0 H PHE A 101 13.235 4.256 1.409 1.00 0.00 H new ATOM 0 HA PHE A 101 11.770 1.844 0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.854 4.270 0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.081 4.451 -0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.012 2.997 -3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 101 8.866 2.994 -0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 101 10.521 1.938 -4.655 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.372 1.932 -1.781 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.199 1.397 -4.038 1.00 0.00 H new ATOM 1531 N LEU A 102 13.213 1.464 -1.605 1.00 0.00 N ATOM 1532 CA LEU A 102 14.230 0.980 -2.532 1.00 0.00 C ATOM 1533 C LEU A 102 13.684 0.917 -3.955 1.00 0.00 C ATOM 1534 O LEU A 102 12.716 0.208 -4.229 1.00 0.00 O ATOM 1535 CB LEU A 102 14.724 -0.403 -2.102 1.00 0.00 C ATOM 1536 CG LEU A 102 15.064 -0.563 -0.620 1.00 0.00 C ATOM 1537 CD1 LEU A 102 14.900 -2.012 -0.188 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.479 -0.078 -0.342 1.00 0.00 C ATOM 0 H LEU A 102 12.275 1.104 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 102 15.066 1.680 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.960 -1.136 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.611 -0.648 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 102 14.372 0.048 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.146 -2.106 0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.869 -2.325 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.567 -2.644 -0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.704 -0.199 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.186 -0.661 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.563 0.975 -0.612 1.00 0.00 H new ATOM 1550 N ASP A 103 14.312 1.663 -4.857 1.00 0.00 N ATOM 1551 CA ASP A 103 13.892 1.690 -6.254 1.00 0.00 C ATOM 1552 C ASP A 103 14.371 0.442 -6.990 1.00 0.00 C ATOM 1553 O ASP A 103 14.826 0.519 -8.130 1.00 0.00 O ATOM 1554 CB ASP A 103 14.429 2.944 -6.946 1.00 0.00 C ATOM 1555 CG ASP A 103 14.160 2.941 -8.438 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.180 2.295 -8.863 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.928 3.587 -9.180 1.00 0.00 O ATOM 0 H ASP A 103 15.114 2.257 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 103 12.802 1.709 -6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.971 3.827 -6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.503 3.019 -6.773 1.00 0.00 H new ATOM 1562 N ASN A 104 14.265 -0.706 -6.328 1.00 0.00 N ATOM 1563 CA ASN A 104 14.689 -1.970 -6.919 1.00 0.00 C ATOM 1564 C ASN A 104 13.484 -2.841 -7.263 1.00 0.00 C ATOM 1565 O ASN A 104 12.484 -2.872 -6.545 1.00 0.00 O ATOM 1566 CB ASN A 104 15.617 -2.719 -5.961 1.00 0.00 C ATOM 1567 CG ASN A 104 17.082 -2.466 -6.260 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.573 -2.795 -7.340 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.789 -1.878 -5.301 1.00 0.00 N ATOM 0 H ASN A 104 13.890 -0.787 -5.383 1.00 0.00 H new ATOM 0 HA ASN A 104 15.230 -1.749 -7.839 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.400 -2.415 -4.937 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.415 -3.788 -6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.780 -1.682 -5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.341 -1.622 -4.421 1.00 0.00 H new ATOM 1576 N PRO A 105 13.580 -3.567 -8.387 1.00 0.00 N ATOM 1577 CA PRO A 105 12.508 -4.452 -8.850 1.00 0.00 C ATOM 1578 C PRO A 105 12.341 -5.677 -7.957 1.00 0.00 C ATOM 1579 O PRO A 105 11.416 -6.469 -8.140 1.00 0.00 O ATOM 1580 CB PRO A 105 12.972 -4.869 -10.248 1.00 0.00 C ATOM 1581 CG PRO A 105 14.455 -4.733 -10.211 1.00 0.00 C ATOM 1582 CD PRO A 105 14.742 -3.579 -9.291 1.00 0.00 C ATOM 0 HA PRO A 105 11.537 -3.957 -8.838 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.674 -5.893 -10.475 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.535 -4.232 -11.017 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.922 -5.648 -9.847 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.855 -4.546 -11.208 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.674 -3.722 -8.745 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.835 -2.641 -9.839 1.00 0.00 H new ATOM 1590 N ASP A 106 13.240 -5.826 -6.991 1.00 0.00 N ATOM 1591 CA ASP A 106 13.191 -6.953 -6.067 1.00 0.00 C ATOM 1592 C ASP A 106 12.368 -6.608 -4.830 1.00 0.00 C ATOM 1593 O ASP A 106 11.552 -7.407 -4.372 1.00 0.00 O ATOM 1594 CB ASP A 106 14.605 -7.365 -5.656 1.00 0.00 C ATOM 1595 CG ASP A 106 15.317 -8.153 -6.738 1.00 0.00 C ATOM 1596 OD1 ASP A 106 14.669 -9.017 -7.366 1.00 0.00 O ATOM 1597 OD2 ASP A 106 16.521 -7.906 -6.957 1.00 0.00 O ATOM 0 H ASP A 106 14.012 -5.180 -6.827 1.00 0.00 H new ATOM 0 HA ASP A 106 12.712 -7.788 -6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.185 -6.473 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.556 -7.965 -4.747 1.00 0.00 H new ATOM 1602 N ALA A 107 12.589 -5.412 -4.294 1.00 0.00 N ATOM 1603 CA ALA A 107 11.867 -4.960 -3.111 1.00 0.00 C ATOM 1604 C ALA A 107 10.360 -5.057 -3.317 1.00 0.00 C ATOM 1605 O ALA A 107 9.806 -4.432 -4.222 1.00 0.00 O ATOM 1606 CB ALA A 107 12.264 -3.533 -2.763 1.00 0.00 C ATOM 0 H ALA A 107 13.262 -4.739 -4.660 1.00 0.00 H new ATOM 0 HA ALA A 107 12.136 -5.613 -2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.717 -3.209 -1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.335 -3.492 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.025 -2.875 -3.598 1.00 0.00 H new ATOM 1612 N PHE A 108 9.700 -5.843 -2.473 1.00 0.00 N ATOM 1613 CA PHE A 108 8.256 -6.023 -2.564 1.00 0.00 C ATOM 1614 C PHE A 108 7.531 -5.102 -1.587 1.00 0.00 C ATOM 1615 O PHE A 108 8.042 -4.797 -0.509 1.00 0.00 O ATOM 1616 CB PHE A 108 7.883 -7.479 -2.282 1.00 0.00 C ATOM 1617 CG PHE A 108 8.790 -8.471 -2.952 1.00 0.00 C ATOM 1618 CD1 PHE A 108 8.912 -8.496 -4.332 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.521 -9.379 -2.202 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.746 -9.408 -4.952 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.357 -10.292 -2.817 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.469 -10.307 -4.193 1.00 0.00 C ATOM 0 H PHE A 108 10.143 -6.366 -1.717 1.00 0.00 H new ATOM 0 HA PHE A 108 7.946 -5.766 -3.577 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.904 -7.649 -1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.859 -7.654 -2.613 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.349 -7.795 -4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.436 -9.373 -1.125 1.00 0.00 H new ATOM 0 HE1 PHE A 108 9.832 -9.417 -6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.922 -10.993 -2.221 1.00 0.00 H new ATOM 0 HZ PHE A 108 11.121 -11.021 -4.675 1.00 0.00 H new ATOM 1632 N TYR A 109 6.338 -4.662 -1.973 1.00 0.00 N ATOM 1633 CA TYR A 109 5.543 -3.773 -1.133 1.00 0.00 C ATOM 1634 C TYR A 109 4.061 -4.125 -1.219 1.00 0.00 C ATOM 1635 O TYR A 109 3.612 -4.741 -2.186 1.00 0.00 O ATOM 1636 CB TYR A 109 5.759 -2.317 -1.549 1.00 0.00 C ATOM 1637 CG TYR A 109 7.136 -1.790 -1.215 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.538 -1.627 0.105 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.034 -1.454 -2.220 1.00 0.00 C ATOM 1640 CE1 TYR A 109 8.795 -1.145 0.414 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.294 -0.972 -1.921 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.670 -0.819 -0.602 1.00 0.00 C ATOM 1643 OH TYR A 109 10.923 -0.339 -0.298 1.00 0.00 O ATOM 0 H TYR A 109 5.900 -4.906 -2.861 1.00 0.00 H new ATOM 0 HA TYR A 109 5.869 -3.901 -0.101 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.595 -2.227 -2.623 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.012 -1.693 -1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.856 -1.881 0.903 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.742 -1.572 -3.253 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.091 -1.024 1.445 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.980 -0.717 -2.715 1.00 0.00 H new ATOM 0 HH TYR A 109 11.553 -0.599 -1.002 1.00 0.00 H new ATOM 1653 N TYR A 110 3.307 -3.728 -0.200 1.00 0.00 N ATOM 1654 CA TYR A 110 1.875 -4.002 -0.158 1.00 0.00 C ATOM 1655 C TYR A 110 1.131 -2.896 0.586 1.00 0.00 C ATOM 1656 O TYR A 110 1.688 -2.240 1.466 1.00 0.00 O ATOM 1657 CB TYR A 110 1.612 -5.350 0.514 1.00 0.00 C ATOM 1658 CG TYR A 110 1.868 -5.344 2.005 1.00 0.00 C ATOM 1659 CD1 TYR A 110 3.140 -5.576 2.512 1.00 0.00 C ATOM 1660 CD2 TYR A 110 0.837 -5.105 2.905 1.00 0.00 C ATOM 1661 CE1 TYR A 110 3.378 -5.572 3.873 1.00 0.00 C ATOM 1662 CE2 TYR A 110 1.066 -5.098 4.268 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.338 -5.333 4.746 1.00 0.00 C ATOM 1664 OH TYR A 110 2.571 -5.326 6.103 1.00 0.00 O ATOM 0 H TYR A 110 3.663 -3.216 0.607 1.00 0.00 H new ATOM 0 HA TYR A 110 1.507 -4.037 -1.183 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.577 -5.641 0.333 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.243 -6.108 0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 110 3.957 -5.763 1.831 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.160 -4.922 2.533 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.373 -5.755 4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.254 -4.910 4.954 1.00 0.00 H new ATOM 0 HH TYR A 110 1.734 -5.141 6.578 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.132 -2.696 0.225 1.00 0.00 N ATOM 1675 CA PHE A 111 -0.955 -1.671 0.856 1.00 0.00 C ATOM 1676 C PHE A 111 -1.632 -2.214 2.112 1.00 0.00 C ATOM 1677 O PHE A 111 -1.950 -3.399 2.213 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.010 -1.158 -0.125 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.430 -0.623 -1.403 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.719 0.566 -1.413 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.596 -1.310 -2.595 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.186 1.060 -2.588 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.064 -0.821 -3.773 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.357 0.366 -3.770 1.00 0.00 C ATOM 0 H PHE A 111 -0.608 -3.231 -0.502 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.305 -0.845 1.143 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.701 -1.968 -0.360 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.592 -0.373 0.357 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.580 1.113 -0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.148 -2.238 -2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.365 1.989 -2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.201 -1.366 -4.695 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.061 0.750 -4.689 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.858 -1.326 3.092 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.499 -1.692 4.358 1.00 0.00 C ATOM 1696 C PRO A 112 -3.977 -2.024 4.185 1.00 0.00 C ATOM 1697 O PRO A 112 -4.613 -2.560 5.092 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.330 -0.437 5.217 1.00 0.00 C ATOM 1699 CG PRO A 112 -2.207 0.679 4.237 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.504 0.102 3.040 1.00 0.00 C ATOM 0 HA PRO A 112 -2.056 -2.587 4.795 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.185 -0.291 5.878 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.446 -0.507 5.850 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.188 1.068 3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.641 1.509 4.660 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.842 0.566 2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.426 0.251 3.097 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.517 -1.703 3.015 1.00 0.00 N ATOM 1709 CA ASP A 113 -5.921 -1.969 2.722 1.00 0.00 C ATOM 1710 C ASP A 113 -6.094 -3.350 2.099 1.00 0.00 C ATOM 1711 O ASP A 113 -7.055 -4.060 2.396 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.479 -0.899 1.782 1.00 0.00 C ATOM 1713 CG ASP A 113 -7.953 -1.100 1.486 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -8.771 -0.940 2.416 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -8.287 -1.417 0.326 1.00 0.00 O ATOM 0 H ASP A 113 -4.004 -1.258 2.254 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.474 -1.942 3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.332 0.085 2.228 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -5.918 -0.913 0.847 1.00 0.00 H new ATOM 1720 N SER A 114 -5.158 -3.725 1.233 1.00 0.00 N ATOM 1721 CA SER A 114 -5.209 -5.020 0.564 1.00 0.00 C ATOM 1722 C SER A 114 -4.992 -6.155 1.560 1.00 0.00 C ATOM 1723 O SER A 114 -4.408 -5.958 2.625 1.00 0.00 O ATOM 1724 CB SER A 114 -4.155 -5.088 -0.543 1.00 0.00 C ATOM 1725 OG SER A 114 -4.519 -6.031 -1.536 1.00 0.00 O ATOM 0 H SER A 114 -4.355 -3.150 0.978 1.00 0.00 H new ATOM 0 HA SER A 114 -6.198 -5.134 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.036 -4.104 -0.997 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.190 -5.360 -0.115 1.00 0.00 H new ATOM 0 HG SER A 114 -3.836 -6.046 -2.239 1.00 0.00 H new ATOM 1731 N GLY A 115 -5.467 -7.345 1.205 1.00 0.00 N ATOM 1732 CA GLY A 115 -5.315 -8.495 2.078 1.00 0.00 C ATOM 1733 C GLY A 115 -4.110 -9.340 1.718 1.00 0.00 C ATOM 1734 O GLY A 115 -4.250 -10.427 1.155 1.00 0.00 O ATOM 0 H GLY A 115 -5.954 -7.533 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.221 -8.155 3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.214 -9.109 2.025 1.00 0.00 H new ATOM 1738 N PHE A 116 -2.921 -8.842 2.041 1.00 0.00 N ATOM 1739 CA PHE A 116 -1.686 -9.558 1.746 1.00 0.00 C ATOM 1740 C PHE A 116 -1.511 -10.749 2.683 1.00 0.00 C ATOM 1741 O PHE A 116 -1.957 -10.722 3.830 1.00 0.00 O ATOM 1742 CB PHE A 116 -0.485 -8.618 1.868 1.00 0.00 C ATOM 1743 CG PHE A 116 0.809 -9.330 2.142 1.00 0.00 C ATOM 1744 CD1 PHE A 116 1.609 -9.768 1.099 1.00 0.00 C ATOM 1745 CD2 PHE A 116 1.225 -9.562 3.443 1.00 0.00 C ATOM 1746 CE1 PHE A 116 2.799 -10.425 1.349 1.00 0.00 C ATOM 1747 CE2 PHE A 116 2.415 -10.218 3.699 1.00 0.00 C ATOM 1748 CZ PHE A 116 3.203 -10.649 2.650 1.00 0.00 C ATOM 0 H PHE A 116 -2.787 -7.945 2.507 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.746 -9.929 0.723 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -0.387 -8.045 0.946 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -0.673 -7.903 2.669 1.00 0.00 H new ATOM 0 HD1 PHE A 116 1.299 -9.594 0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.613 -9.227 4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 116 3.413 -10.763 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 116 2.728 -10.393 4.718 1.00 0.00 H new ATOM 0 HZ PHE A 116 4.134 -11.160 2.847 1.00 0.00 H new ATOM 1758 N PHE A 117 -0.859 -11.795 2.186 1.00 0.00 N ATOM 1759 CA PHE A 117 -0.625 -12.998 2.977 1.00 0.00 C ATOM 1760 C PHE A 117 0.641 -13.714 2.517 1.00 0.00 C ATOM 1761 O PHE A 117 0.765 -14.092 1.351 1.00 0.00 O ATOM 1762 CB PHE A 117 -1.825 -13.942 2.874 1.00 0.00 C ATOM 1763 CG PHE A 117 -1.728 -14.913 1.732 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -1.024 -16.098 1.871 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -2.340 -14.640 0.519 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -0.932 -16.993 0.822 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -2.252 -15.531 -0.534 1.00 0.00 C ATOM 1768 CZ PHE A 117 -1.548 -16.709 -0.382 1.00 0.00 C ATOM 0 H PHE A 117 -0.483 -11.834 1.239 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.494 -12.699 4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.920 -14.498 3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -2.734 -13.351 2.761 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.541 -16.325 2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -2.892 -13.720 0.395 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -0.379 -17.913 0.943 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -2.733 -15.306 -1.474 1.00 0.00 H new ATOM 0 HZ PHE A 117 -1.479 -17.407 -1.203 1.00 0.00 H new ATOM 1778 N CYS A 118 1.578 -13.897 3.440 1.00 0.00 N ATOM 1779 CA CYS A 118 2.837 -14.566 3.130 1.00 0.00 C ATOM 1780 C CYS A 118 2.700 -16.078 3.283 1.00 0.00 C ATOM 1781 O CYS A 118 1.944 -16.560 4.126 1.00 0.00 O ATOM 1782 CB CYS A 118 3.952 -14.048 4.039 1.00 0.00 C ATOM 1783 SG CYS A 118 3.722 -14.443 5.789 1.00 0.00 S ATOM 0 H CYS A 118 1.490 -13.592 4.409 1.00 0.00 H new ATOM 0 HA CYS A 118 3.092 -14.345 2.094 1.00 0.00 H new ATOM 0 HB2 CYS A 118 4.902 -14.466 3.705 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.023 -12.966 3.928 1.00 0.00 H new ATOM 0 HG CYS A 118 2.914 -15.455 5.903 1.00 0.00 H new ATOM 1789 N GLU A 119 3.436 -16.820 2.461 1.00 0.00 N ATOM 1790 CA GLU A 119 3.394 -18.277 2.504 1.00 0.00 C ATOM 1791 C GLU A 119 4.777 -18.868 2.245 1.00 0.00 C ATOM 1792 O GLU A 119 5.599 -18.270 1.552 1.00 0.00 O ATOM 1793 CB GLU A 119 2.397 -18.811 1.475 1.00 0.00 C ATOM 1794 CG GLU A 119 2.786 -18.509 0.037 1.00 0.00 C ATOM 1795 CD GLU A 119 1.974 -19.305 -0.966 1.00 0.00 C ATOM 1796 OE1 GLU A 119 2.248 -20.512 -1.127 1.00 0.00 O ATOM 1797 OE2 GLU A 119 1.064 -18.720 -1.591 1.00 0.00 O ATOM 0 H GLU A 119 4.068 -16.436 1.758 1.00 0.00 H new ATOM 0 HA GLU A 119 3.071 -18.577 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 119 2.303 -19.890 1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 119 1.416 -18.381 1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 119 2.652 -17.445 -0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 119 3.845 -18.728 -0.103 1.00 0.00 H new