USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 676 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 19 ASN : amide:sc= -0.0441 K(o=-0.19,f=-0.77) USER MOD Set 1.2: A 56 SER OG : rot 180:sc= -0.145 USER MOD Set 2.1: A 20 THR OG1 : rot 180:sc= 0.19 USER MOD Set 2.2: A 24 SER OG : rot 104:sc= 0.114 USER MOD Set 2.3: A 58 SER OG : rot 57:sc= -0.446 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.638 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -173:sc=-0.00284 (180deg=-0.064) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 25 MET CE :methyl 159:sc= -0.169 (180deg=-1.01) USER MOD Single : A 27 MET CE :methyl -160:sc= -0.115 (180deg=-0.613) USER MOD Single : A 28 THR OG1 : rot -158:sc= 0.898 USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -0.0427 (180deg=-0.289) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= 0.0882 (180deg=-0.14) USER MOD Single : A 37 THR OG1 : rot -31:sc= 0.042 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc=-0.00859 K(o=-0.0086,f=-0.62) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0295 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.115 X(o=-0.12,f=-0.019) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.611 USER MOD Single : A 68 LYS NZ :NH3+ 179:sc= 0.943 (180deg=0.937) USER MOD Single : A 74 ASN : amide:sc=-0.00192 X(o=-0.0019,f=-0.35) USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= -0.051 (180deg=-0.402) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -48:sc= 1.31 USER MOD Single : A 88 GLN : amide:sc= 1.18 K(o=1.2,f=-0.74) USER MOD Single : A 91 HIS : no HE2:sc= 1.08 K(o=1.1,f=-4.8!) USER MOD Single : A 92 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 111 N ASP A 8 -15.347 1.656 -12.099 1.00 0.00 N ATOM 112 CA ASP A 8 -14.525 1.252 -10.965 1.00 0.00 C ATOM 113 C ASP A 8 -13.067 1.141 -11.369 1.00 0.00 C ATOM 114 O ASP A 8 -12.634 0.098 -11.866 1.00 0.00 O ATOM 115 CB ASP A 8 -14.988 -0.095 -10.400 1.00 0.00 C ATOM 116 CG ASP A 8 -16.426 -0.082 -9.937 1.00 0.00 C ATOM 117 OD1 ASP A 8 -16.680 0.307 -8.780 1.00 0.00 O ATOM 118 OD2 ASP A 8 -17.307 -0.482 -10.723 1.00 0.00 O ATOM 0 HA ASP A 8 -14.633 2.019 -10.198 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.865 -0.864 -11.163 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.346 -0.371 -9.564 1.00 0.00 H new ATOM 123 N PRO A 9 -12.286 2.214 -11.191 1.00 0.00 N ATOM 124 CA PRO A 9 -10.856 2.194 -11.471 1.00 0.00 C ATOM 125 C PRO A 9 -10.102 1.342 -10.458 1.00 0.00 C ATOM 126 O PRO A 9 -10.293 1.479 -9.245 1.00 0.00 O ATOM 127 CB PRO A 9 -10.429 3.666 -11.354 1.00 0.00 C ATOM 128 CG PRO A 9 -11.698 4.448 -11.310 1.00 0.00 C ATOM 129 CD PRO A 9 -12.725 3.531 -10.715 1.00 0.00 C ATOM 0 HA PRO A 9 -10.638 1.763 -12.448 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.835 3.832 -10.455 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.814 3.965 -12.203 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.581 5.348 -10.706 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.993 4.770 -12.309 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.737 3.586 -9.626 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.731 3.772 -11.057 1.00 0.00 H new ATOM 137 N THR A 10 -9.267 0.449 -10.956 1.00 0.00 N ATOM 138 CA THR A 10 -8.424 -0.356 -10.099 1.00 0.00 C ATOM 139 C THR A 10 -7.060 0.308 -9.999 1.00 0.00 C ATOM 140 O THR A 10 -6.189 0.103 -10.844 1.00 0.00 O ATOM 141 CB THR A 10 -8.279 -1.787 -10.643 1.00 0.00 C ATOM 142 OG1 THR A 10 -9.569 -2.277 -11.035 1.00 0.00 O ATOM 143 CG2 THR A 10 -7.682 -2.712 -9.592 1.00 0.00 C ATOM 0 H THR A 10 -9.156 0.264 -11.953 1.00 0.00 H new ATOM 0 HA THR A 10 -8.882 -0.426 -9.112 1.00 0.00 H new ATOM 0 HB THR A 10 -7.609 -1.766 -11.502 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.481 -3.188 -11.384 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.590 -3.718 -10.002 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.697 -2.347 -9.303 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.331 -2.735 -8.717 1.00 0.00 H new ATOM 151 N LEU A 11 -6.904 1.134 -8.985 1.00 0.00 N ATOM 152 CA LEU A 11 -5.741 1.993 -8.884 1.00 0.00 C ATOM 153 C LEU A 11 -4.561 1.243 -8.283 1.00 0.00 C ATOM 154 O LEU A 11 -4.607 0.819 -7.126 1.00 0.00 O ATOM 155 CB LEU A 11 -6.074 3.228 -8.052 1.00 0.00 C ATOM 156 CG LEU A 11 -5.141 4.417 -8.259 1.00 0.00 C ATOM 157 CD1 LEU A 11 -5.189 4.873 -9.709 1.00 0.00 C ATOM 158 CD2 LEU A 11 -5.518 5.556 -7.332 1.00 0.00 C ATOM 0 H LEU A 11 -7.569 1.229 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.458 2.311 -9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.092 3.540 -8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.058 2.952 -6.998 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.123 4.107 -8.023 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.519 5.722 -9.846 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.875 4.055 -10.358 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.207 5.169 -9.964 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.842 6.396 -7.493 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.541 5.869 -7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.442 5.223 -6.297 1.00 0.00 H new ATOM 170 N THR A 12 -3.523 1.070 -9.082 1.00 0.00 N ATOM 171 CA THR A 12 -2.320 0.396 -8.629 1.00 0.00 C ATOM 172 C THR A 12 -1.301 1.417 -8.119 1.00 0.00 C ATOM 173 O THR A 12 -0.628 2.093 -8.901 1.00 0.00 O ATOM 174 CB THR A 12 -1.706 -0.448 -9.765 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.711 -1.306 -10.332 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.550 -1.295 -9.255 1.00 0.00 C ATOM 0 H THR A 12 -3.490 1.388 -10.051 1.00 0.00 H new ATOM 0 HA THR A 12 -2.589 -0.273 -7.811 1.00 0.00 H new ATOM 0 HB THR A 12 -1.327 0.234 -10.526 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.317 -1.839 -11.054 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.137 -1.879 -10.077 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.224 -0.646 -8.846 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.908 -1.968 -8.476 1.00 0.00 H new ATOM 184 N LEU A 13 -1.217 1.539 -6.803 1.00 0.00 N ATOM 185 CA LEU A 13 -0.323 2.496 -6.166 1.00 0.00 C ATOM 186 C LEU A 13 0.934 1.800 -5.668 1.00 0.00 C ATOM 187 O LEU A 13 1.063 0.585 -5.782 1.00 0.00 O ATOM 188 CB LEU A 13 -1.033 3.179 -4.994 1.00 0.00 C ATOM 189 CG LEU A 13 -2.272 3.989 -5.370 1.00 0.00 C ATOM 190 CD1 LEU A 13 -2.943 4.544 -4.124 1.00 0.00 C ATOM 191 CD2 LEU A 13 -1.895 5.114 -6.318 1.00 0.00 C ATOM 0 H LEU A 13 -1.764 0.980 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.041 3.248 -6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.322 2.417 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.324 3.839 -4.495 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.979 3.331 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.824 5.118 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.242 3.721 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.245 5.191 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.787 5.684 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.173 5.771 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.455 4.695 -7.223 1.00 0.00 H new ATOM 203 N SER A 14 1.850 2.566 -5.106 1.00 0.00 N ATOM 204 CA SER A 14 3.093 2.014 -4.593 1.00 0.00 C ATOM 205 C SER A 14 3.067 1.964 -3.069 1.00 0.00 C ATOM 206 O SER A 14 2.598 2.901 -2.417 1.00 0.00 O ATOM 207 CB SER A 14 4.268 2.866 -5.071 1.00 0.00 C ATOM 208 OG SER A 14 4.213 3.057 -6.474 1.00 0.00 O ATOM 0 H SER A 14 1.758 3.575 -4.992 1.00 0.00 H new ATOM 0 HA SER A 14 3.209 0.997 -4.968 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.251 3.832 -4.567 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.207 2.382 -4.802 1.00 0.00 H new ATOM 0 HG SER A 14 4.973 3.606 -6.759 1.00 0.00 H new ATOM 214 N LEU A 15 3.550 0.863 -2.509 1.00 0.00 N ATOM 215 CA LEU A 15 3.656 0.726 -1.065 1.00 0.00 C ATOM 216 C LEU A 15 4.984 1.303 -0.590 1.00 0.00 C ATOM 217 O LEU A 15 6.047 0.900 -1.061 1.00 0.00 O ATOM 218 CB LEU A 15 3.543 -0.747 -0.657 1.00 0.00 C ATOM 219 CG LEU A 15 3.544 -1.013 0.849 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.325 -0.381 1.502 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.585 -2.508 1.125 1.00 0.00 C ATOM 0 H LEU A 15 3.875 0.051 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 15 2.839 1.276 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.625 -1.154 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.371 -1.295 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 15 4.437 -0.560 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.342 -0.580 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.339 0.696 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.419 -0.805 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.585 -2.679 2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.710 -2.984 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.489 -2.934 0.690 1.00 0.00 H new ATOM 233 N ILE A 16 4.919 2.256 0.324 1.00 0.00 N ATOM 234 CA ILE A 16 6.115 2.907 0.832 1.00 0.00 C ATOM 235 C ILE A 16 6.250 2.706 2.336 1.00 0.00 C ATOM 236 O ILE A 16 5.255 2.629 3.061 1.00 0.00 O ATOM 237 CB ILE A 16 6.125 4.423 0.520 1.00 0.00 C ATOM 238 CG1 ILE A 16 4.922 5.120 1.162 1.00 0.00 C ATOM 239 CG2 ILE A 16 6.138 4.654 -0.987 1.00 0.00 C ATOM 240 CD1 ILE A 16 4.945 6.628 1.025 1.00 0.00 C ATOM 0 H ILE A 16 4.048 2.597 0.731 1.00 0.00 H new ATOM 0 HA ILE A 16 6.961 2.443 0.325 1.00 0.00 H new ATOM 0 HB ILE A 16 7.031 4.854 0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.008 4.737 0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.886 4.861 2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.145 5.725 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.029 4.197 -1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.249 4.206 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.062 7.050 1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.841 7.023 1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.949 6.897 -0.031 1.00 0.00 H new ATOM 252 N ALA A 17 7.485 2.610 2.801 1.00 0.00 N ATOM 253 CA ALA A 17 7.752 2.490 4.224 1.00 0.00 C ATOM 254 C ALA A 17 7.800 3.873 4.851 1.00 0.00 C ATOM 255 O ALA A 17 8.668 4.680 4.518 1.00 0.00 O ATOM 256 CB ALA A 17 9.058 1.748 4.463 1.00 0.00 C ATOM 0 H ALA A 17 8.318 2.613 2.213 1.00 0.00 H new ATOM 0 HA ALA A 17 6.950 1.917 4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.240 1.668 5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.994 0.749 4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.877 2.294 3.995 1.00 0.00 H new ATOM 262 N LYS A 18 6.864 4.147 5.748 1.00 0.00 N ATOM 263 CA LYS A 18 6.756 5.473 6.342 1.00 0.00 C ATOM 264 C LYS A 18 7.907 5.739 7.296 1.00 0.00 C ATOM 265 O LYS A 18 8.846 6.461 6.964 1.00 0.00 O ATOM 266 CB LYS A 18 5.408 5.633 7.057 1.00 0.00 C ATOM 267 CG LYS A 18 5.164 7.032 7.602 1.00 0.00 C ATOM 268 CD LYS A 18 5.040 8.057 6.486 1.00 0.00 C ATOM 269 CE LYS A 18 4.913 9.471 7.035 1.00 0.00 C ATOM 270 NZ LYS A 18 3.689 9.651 7.860 1.00 0.00 N ATOM 0 H LYS A 18 6.172 3.474 6.079 1.00 0.00 H new ATOM 0 HA LYS A 18 6.810 6.209 5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.607 5.379 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.356 4.919 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.254 7.035 8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.983 7.312 8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.913 7.996 5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.169 7.825 5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.791 9.704 7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.897 10.179 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.585 10.655 8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.857 9.342 7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.768 9.083 8.727 1.00 0.00 H new ATOM 284 N ASN A 19 7.838 5.154 8.473 1.00 0.00 N ATOM 285 CA ASN A 19 8.904 5.304 9.445 1.00 0.00 C ATOM 286 C ASN A 19 9.391 3.946 9.905 1.00 0.00 C ATOM 287 O ASN A 19 8.946 3.429 10.928 1.00 0.00 O ATOM 288 CB ASN A 19 8.453 6.142 10.646 1.00 0.00 C ATOM 289 CG ASN A 19 9.522 6.235 11.724 1.00 0.00 C ATOM 290 OD1 ASN A 19 10.718 6.190 11.441 1.00 0.00 O ATOM 291 ND2 ASN A 19 9.095 6.376 12.968 1.00 0.00 N ATOM 0 H ASN A 19 7.059 4.572 8.781 1.00 0.00 H new ATOM 0 HA ASN A 19 9.726 5.831 8.960 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.194 7.145 10.308 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.549 5.705 11.071 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.766 6.452 13.732 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.094 6.409 13.163 1.00 0.00 H new ATOM 298 N THR A 20 10.244 3.339 9.105 1.00 0.00 N ATOM 299 CA THR A 20 10.933 2.135 9.533 1.00 0.00 C ATOM 300 C THR A 20 12.255 2.518 10.202 1.00 0.00 C ATOM 301 O THR A 20 13.042 3.297 9.651 1.00 0.00 O ATOM 302 CB THR A 20 11.167 1.138 8.366 1.00 0.00 C ATOM 303 OG1 THR A 20 11.784 -0.063 8.852 1.00 0.00 O ATOM 304 CG2 THR A 20 12.030 1.739 7.267 1.00 0.00 C ATOM 0 H THR A 20 10.476 3.654 8.163 1.00 0.00 H new ATOM 0 HA THR A 20 10.296 1.619 10.252 1.00 0.00 H new ATOM 0 HB THR A 20 10.190 0.907 7.942 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.924 -0.683 8.106 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.168 1.007 6.471 1.00 0.00 H new ATOM 0 HG22 THR A 20 11.540 2.625 6.864 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.001 2.016 7.677 1.00 0.00 H new ATOM 312 N PRO A 21 12.483 2.018 11.428 1.00 0.00 N ATOM 313 CA PRO A 21 13.673 2.341 12.221 1.00 0.00 C ATOM 314 C PRO A 21 14.976 2.059 11.487 1.00 0.00 C ATOM 315 O PRO A 21 15.034 1.244 10.564 1.00 0.00 O ATOM 316 CB PRO A 21 13.549 1.436 13.448 1.00 0.00 C ATOM 317 CG PRO A 21 12.094 1.149 13.556 1.00 0.00 C ATOM 318 CD PRO A 21 11.587 1.098 12.144 1.00 0.00 C ATOM 0 HA PRO A 21 13.712 3.404 12.457 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.126 0.519 13.325 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.923 1.930 14.345 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.918 0.204 14.070 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.583 1.923 14.128 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.637 0.089 11.735 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.547 1.417 12.079 1.00 0.00 H new ATOM 326 N ALA A 22 16.029 2.733 11.919 1.00 0.00 N ATOM 327 CA ALA A 22 17.330 2.623 11.284 1.00 0.00 C ATOM 328 C ALA A 22 17.952 1.250 11.509 1.00 0.00 C ATOM 329 O ALA A 22 18.837 0.829 10.762 1.00 0.00 O ATOM 330 CB ALA A 22 18.243 3.713 11.809 1.00 0.00 C ATOM 0 H ALA A 22 16.006 3.369 12.716 1.00 0.00 H new ATOM 0 HA ALA A 22 17.198 2.745 10.209 1.00 0.00 H new ATOM 0 HB1 ALA A 22 19.220 3.630 11.332 1.00 0.00 H new ATOM 0 HB2 ALA A 22 17.811 4.688 11.585 1.00 0.00 H new ATOM 0 HB3 ALA A 22 18.356 3.605 12.888 1.00 0.00 H new ATOM 336 N ASN A 23 17.468 0.548 12.526 1.00 0.00 N ATOM 337 CA ASN A 23 18.013 -0.756 12.893 1.00 0.00 C ATOM 338 C ASN A 23 17.363 -1.875 12.084 1.00 0.00 C ATOM 339 O ASN A 23 17.778 -3.033 12.162 1.00 0.00 O ATOM 340 CB ASN A 23 17.804 -1.022 14.389 1.00 0.00 C ATOM 341 CG ASN A 23 18.458 0.022 15.278 1.00 0.00 C ATOM 342 OD1 ASN A 23 19.483 0.608 14.927 1.00 0.00 O ATOM 343 ND2 ASN A 23 17.866 0.264 16.437 1.00 0.00 N ATOM 0 H ASN A 23 16.696 0.860 13.115 1.00 0.00 H new ATOM 0 HA ASN A 23 19.080 -0.740 12.672 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.735 -1.052 14.600 1.00 0.00 H new ATOM 0 HB3 ASN A 23 18.206 -2.004 14.637 1.00 0.00 H new ATOM 0 HD21 ASN A 23 18.258 0.957 17.075 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.018 -0.242 16.692 1.00 0.00 H new ATOM 350 N SER A 24 16.357 -1.530 11.291 1.00 0.00 N ATOM 351 CA SER A 24 15.616 -2.522 10.533 1.00 0.00 C ATOM 352 C SER A 24 15.738 -2.275 9.034 1.00 0.00 C ATOM 353 O SER A 24 15.811 -1.131 8.581 1.00 0.00 O ATOM 354 CB SER A 24 14.147 -2.518 10.965 1.00 0.00 C ATOM 355 OG SER A 24 13.650 -1.195 11.078 1.00 0.00 O ATOM 0 H SER A 24 16.038 -0.570 11.158 1.00 0.00 H new ATOM 0 HA SER A 24 16.043 -3.503 10.740 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.551 -3.073 10.241 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.045 -3.031 11.921 1.00 0.00 H new ATOM 0 HG SER A 24 13.084 -0.991 10.304 1.00 0.00 H new ATOM 361 N MET A 25 15.782 -3.359 8.275 1.00 0.00 N ATOM 362 CA MET A 25 15.877 -3.282 6.825 1.00 0.00 C ATOM 363 C MET A 25 14.856 -4.219 6.192 1.00 0.00 C ATOM 364 O MET A 25 14.760 -5.384 6.570 1.00 0.00 O ATOM 365 CB MET A 25 17.291 -3.652 6.375 1.00 0.00 C ATOM 366 CG MET A 25 17.482 -3.634 4.866 1.00 0.00 C ATOM 367 SD MET A 25 19.136 -4.156 4.367 1.00 0.00 S ATOM 368 CE MET A 25 19.181 -5.821 5.032 1.00 0.00 C ATOM 0 H MET A 25 15.753 -4.310 8.643 1.00 0.00 H new ATOM 0 HA MET A 25 15.665 -2.262 6.504 1.00 0.00 H new ATOM 0 HB2 MET A 25 17.999 -2.959 6.829 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.533 -4.646 6.750 1.00 0.00 H new ATOM 0 HG2 MET A 25 16.744 -4.288 4.403 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.295 -2.627 4.492 1.00 0.00 H new ATOM 0 HE1 MET A 25 19.944 -6.400 4.512 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.417 -5.782 6.095 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.209 -6.295 4.893 1.00 0.00 H new ATOM 378 N ILE A 26 14.093 -3.711 5.241 1.00 0.00 N ATOM 379 CA ILE A 26 13.028 -4.489 4.624 1.00 0.00 C ATOM 380 C ILE A 26 13.574 -5.389 3.516 1.00 0.00 C ATOM 381 O ILE A 26 14.105 -4.903 2.517 1.00 0.00 O ATOM 382 CB ILE A 26 11.933 -3.576 4.034 1.00 0.00 C ATOM 383 CG1 ILE A 26 11.553 -2.480 5.034 1.00 0.00 C ATOM 384 CG2 ILE A 26 10.707 -4.401 3.666 1.00 0.00 C ATOM 385 CD1 ILE A 26 10.530 -1.501 4.503 1.00 0.00 C ATOM 0 H ILE A 26 14.189 -2.763 4.877 1.00 0.00 H new ATOM 0 HA ILE A 26 12.592 -5.106 5.410 1.00 0.00 H new ATOM 0 HB ILE A 26 12.323 -3.102 3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.162 -2.946 5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.452 -1.934 5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.940 -3.747 3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.983 -5.153 2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.319 -4.894 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.310 -0.754 5.266 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.925 -1.007 3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.616 -2.035 4.244 1.00 0.00 H new ATOM 397 N MET A 27 13.444 -6.698 3.703 1.00 0.00 N ATOM 398 CA MET A 27 13.870 -7.662 2.692 1.00 0.00 C ATOM 399 C MET A 27 12.786 -7.832 1.640 1.00 0.00 C ATOM 400 O MET A 27 13.075 -7.955 0.448 1.00 0.00 O ATOM 401 CB MET A 27 14.187 -9.017 3.332 1.00 0.00 C ATOM 402 CG MET A 27 15.402 -8.991 4.243 1.00 0.00 C ATOM 403 SD MET A 27 16.934 -8.646 3.354 1.00 0.00 S ATOM 404 CE MET A 27 17.051 -10.096 2.306 1.00 0.00 C ATOM 0 H MET A 27 13.047 -7.117 4.544 1.00 0.00 H new ATOM 0 HA MET A 27 14.774 -7.281 2.218 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.321 -9.350 3.905 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.350 -9.752 2.544 1.00 0.00 H new ATOM 0 HG2 MET A 27 15.256 -8.235 5.014 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.490 -9.951 4.751 1.00 0.00 H new ATOM 0 HE1 MET A 27 18.080 -10.218 1.968 1.00 0.00 H new ATOM 0 HE2 MET A 27 16.747 -10.978 2.870 1.00 0.00 H new ATOM 0 HE3 MET A 27 16.397 -9.974 1.442 1.00 0.00 H new ATOM 414 N THR A 28 11.540 -7.844 2.091 1.00 0.00 N ATOM 415 CA THR A 28 10.402 -7.935 1.195 1.00 0.00 C ATOM 416 C THR A 28 10.294 -6.672 0.347 1.00 0.00 C ATOM 417 O THR A 28 10.043 -5.587 0.868 1.00 0.00 O ATOM 418 CB THR A 28 9.095 -8.133 1.990 1.00 0.00 C ATOM 419 OG1 THR A 28 9.222 -9.269 2.855 1.00 0.00 O ATOM 420 CG2 THR A 28 7.909 -8.331 1.058 1.00 0.00 C ATOM 0 H THR A 28 11.293 -7.791 3.079 1.00 0.00 H new ATOM 0 HA THR A 28 10.553 -8.796 0.544 1.00 0.00 H new ATOM 0 HB THR A 28 8.918 -7.235 2.583 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.331 -9.605 3.086 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.002 -8.468 1.647 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.798 -7.455 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.076 -9.212 0.439 1.00 0.00 H new ATOM 428 N LYS A 29 10.516 -6.818 -0.954 1.00 0.00 N ATOM 429 CA LYS A 29 10.395 -5.699 -1.877 1.00 0.00 C ATOM 430 C LYS A 29 8.995 -5.109 -1.805 1.00 0.00 C ATOM 431 O LYS A 29 8.011 -5.810 -2.037 1.00 0.00 O ATOM 432 CB LYS A 29 10.705 -6.148 -3.306 1.00 0.00 C ATOM 433 CG LYS A 29 12.145 -6.587 -3.505 1.00 0.00 C ATOM 434 CD LYS A 29 12.393 -7.055 -4.928 1.00 0.00 C ATOM 435 CE LYS A 29 13.865 -7.345 -5.176 1.00 0.00 C ATOM 436 NZ LYS A 29 14.704 -6.124 -5.053 1.00 0.00 N ATOM 0 H LYS A 29 10.781 -7.700 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 29 11.116 -4.933 -1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.043 -6.972 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.485 -5.329 -3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 29 12.814 -5.759 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.380 -7.393 -2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.807 -7.953 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.049 -6.292 -5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.211 -8.095 -4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.988 -7.770 -6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.640 -6.302 -5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.246 -5.336 -5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.814 -5.878 -4.048 1.00 0.00 H new ATOM 450 N LEU A 30 8.919 -3.829 -1.460 1.00 0.00 N ATOM 451 CA LEU A 30 7.641 -3.140 -1.328 1.00 0.00 C ATOM 452 C LEU A 30 6.920 -3.095 -2.670 1.00 0.00 C ATOM 453 O LEU A 30 7.332 -2.378 -3.584 1.00 0.00 O ATOM 454 CB LEU A 30 7.855 -1.723 -0.792 1.00 0.00 C ATOM 455 CG LEU A 30 8.502 -1.643 0.593 1.00 0.00 C ATOM 456 CD1 LEU A 30 8.736 -0.195 0.990 1.00 0.00 C ATOM 457 CD2 LEU A 30 7.636 -2.346 1.629 1.00 0.00 C ATOM 0 H LEU A 30 9.732 -3.245 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 30 7.021 -3.691 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.477 -1.174 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.891 -1.216 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 30 9.467 -2.149 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.196 -0.158 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.396 0.279 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.783 0.334 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.112 -2.279 2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.657 -1.869 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.518 -3.394 1.354 1.00 0.00 H new ATOM 469 N PRO A 31 5.831 -3.863 -2.800 1.00 0.00 N ATOM 470 CA PRO A 31 5.126 -4.028 -4.064 1.00 0.00 C ATOM 471 C PRO A 31 4.107 -2.924 -4.327 1.00 0.00 C ATOM 472 O PRO A 31 4.053 -1.917 -3.615 1.00 0.00 O ATOM 473 CB PRO A 31 4.422 -5.369 -3.873 1.00 0.00 C ATOM 474 CG PRO A 31 4.116 -5.426 -2.413 1.00 0.00 C ATOM 475 CD PRO A 31 5.195 -4.635 -1.715 1.00 0.00 C ATOM 0 HA PRO A 31 5.799 -3.985 -4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.513 -5.429 -4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.060 -6.199 -4.178 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.132 -5.005 -2.207 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.102 -6.457 -2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.778 -3.980 -0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.911 -5.289 -1.218 1.00 0.00 H new ATOM 483 N SER A 32 3.309 -3.121 -5.361 1.00 0.00 N ATOM 484 CA SER A 32 2.261 -2.190 -5.711 1.00 0.00 C ATOM 485 C SER A 32 0.926 -2.663 -5.142 1.00 0.00 C ATOM 486 O SER A 32 0.583 -3.844 -5.240 1.00 0.00 O ATOM 487 CB SER A 32 2.174 -2.064 -7.231 1.00 0.00 C ATOM 488 OG SER A 32 3.459 -1.857 -7.800 1.00 0.00 O ATOM 0 H SER A 32 3.372 -3.931 -5.978 1.00 0.00 H new ATOM 0 HA SER A 32 2.492 -1.213 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.729 -2.967 -7.649 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.518 -1.234 -7.494 1.00 0.00 H new ATOM 0 HG SER A 32 3.377 -1.781 -8.774 1.00 0.00 H new ATOM 494 N VAL A 33 0.189 -1.745 -4.538 1.00 0.00 N ATOM 495 CA VAL A 33 -1.113 -2.062 -3.973 1.00 0.00 C ATOM 496 C VAL A 33 -2.206 -1.689 -4.967 1.00 0.00 C ATOM 497 O VAL A 33 -2.094 -0.691 -5.671 1.00 0.00 O ATOM 498 CB VAL A 33 -1.354 -1.322 -2.634 1.00 0.00 C ATOM 499 CG1 VAL A 33 -0.236 -1.619 -1.647 1.00 0.00 C ATOM 500 CG2 VAL A 33 -1.488 0.179 -2.849 1.00 0.00 C ATOM 0 H VAL A 33 0.471 -0.771 -4.426 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.138 -3.133 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.292 -1.688 -2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.425 -1.089 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.196 -2.691 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.715 -1.290 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.656 0.670 -1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.573 0.565 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.330 0.378 -3.512 1.00 0.00 H new ATOM 510 N ARG A 34 -3.249 -2.493 -5.047 1.00 0.00 N ATOM 511 CA ARG A 34 -4.319 -2.225 -5.993 1.00 0.00 C ATOM 512 C ARG A 34 -5.640 -2.059 -5.263 1.00 0.00 C ATOM 513 O ARG A 34 -6.097 -2.967 -4.574 1.00 0.00 O ATOM 514 CB ARG A 34 -4.417 -3.346 -7.026 1.00 0.00 C ATOM 515 CG ARG A 34 -3.084 -3.683 -7.674 1.00 0.00 C ATOM 516 CD ARG A 34 -3.252 -4.652 -8.830 1.00 0.00 C ATOM 517 NE ARG A 34 -3.827 -4.007 -10.009 1.00 0.00 N ATOM 518 CZ ARG A 34 -4.709 -4.592 -10.821 1.00 0.00 C ATOM 519 NH1 ARG A 34 -5.204 -5.787 -10.520 1.00 0.00 N ATOM 520 NH2 ARG A 34 -5.121 -3.968 -11.916 1.00 0.00 N ATOM 0 H ARG A 34 -3.379 -3.328 -4.476 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.092 -1.296 -6.516 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.816 -4.239 -6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.127 -3.056 -7.801 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.611 -2.768 -8.031 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.416 -4.117 -6.929 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.283 -5.080 -9.088 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.893 -5.478 -8.520 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.537 -3.053 -10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.910 -6.260 -9.666 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.878 -6.231 -11.143 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.763 -3.039 -12.139 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.795 -4.417 -12.536 1.00 0.00 H new ATOM 534 N VAL A 35 -6.239 -0.890 -5.400 1.00 0.00 N ATOM 535 CA VAL A 35 -7.489 -0.602 -4.720 1.00 0.00 C ATOM 536 C VAL A 35 -8.641 -0.456 -5.706 1.00 0.00 C ATOM 537 O VAL A 35 -8.496 0.154 -6.769 1.00 0.00 O ATOM 538 CB VAL A 35 -7.388 0.675 -3.851 1.00 0.00 C ATOM 539 CG1 VAL A 35 -6.399 0.468 -2.715 1.00 0.00 C ATOM 540 CG2 VAL A 35 -6.988 1.881 -4.688 1.00 0.00 C ATOM 0 H VAL A 35 -5.882 -0.126 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.689 -1.452 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.373 0.871 -3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.340 1.375 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.731 -0.361 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.415 0.241 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.925 2.762 -4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.018 1.698 -5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.734 2.048 -5.465 1.00 0.00 H new ATOM 550 N LYS A 36 -9.778 -1.039 -5.357 1.00 0.00 N ATOM 551 CA LYS A 36 -10.991 -0.859 -6.128 1.00 0.00 C ATOM 552 C LYS A 36 -11.698 0.379 -5.619 1.00 0.00 C ATOM 553 O LYS A 36 -12.002 0.472 -4.425 1.00 0.00 O ATOM 554 CB LYS A 36 -11.915 -2.074 -6.003 1.00 0.00 C ATOM 555 CG LYS A 36 -13.180 -1.972 -6.848 1.00 0.00 C ATOM 556 CD LYS A 36 -14.107 -3.152 -6.605 1.00 0.00 C ATOM 557 CE LYS A 36 -15.278 -3.174 -7.579 1.00 0.00 C ATOM 558 NZ LYS A 36 -16.199 -2.018 -7.401 1.00 0.00 N ATOM 0 H LYS A 36 -9.882 -1.642 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.733 -0.748 -7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.365 -2.969 -6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.196 -2.199 -4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.701 -1.044 -6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.912 -1.930 -7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.543 -4.080 -6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.487 -3.109 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.896 -3.174 -8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.836 -4.101 -7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -17.073 -2.185 -7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.428 -1.909 -6.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.740 -1.152 -7.747 1.00 0.00 H new ATOM 572 N THR A 37 -11.929 1.331 -6.503 1.00 0.00 N ATOM 573 CA THR A 37 -12.548 2.583 -6.118 1.00 0.00 C ATOM 574 C THR A 37 -13.768 2.875 -6.982 1.00 0.00 C ATOM 575 O THR A 37 -13.912 2.317 -8.068 1.00 0.00 O ATOM 576 CB THR A 37 -11.547 3.753 -6.221 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.896 3.740 -7.500 1.00 0.00 O ATOM 578 CG2 THR A 37 -10.504 3.677 -5.115 1.00 0.00 C ATOM 0 H THR A 37 -11.697 1.260 -7.494 1.00 0.00 H new ATOM 0 HA THR A 37 -12.865 2.484 -5.080 1.00 0.00 H new ATOM 0 HB THR A 37 -12.105 4.683 -6.110 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.814 2.816 -7.816 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.811 4.513 -5.210 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.998 3.725 -4.145 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.955 2.739 -5.197 1.00 0.00 H new ATOM 586 N GLU A 38 -14.649 3.726 -6.482 1.00 0.00 N ATOM 587 CA GLU A 38 -15.815 4.153 -7.239 1.00 0.00 C ATOM 588 C GLU A 38 -15.718 5.643 -7.534 1.00 0.00 C ATOM 589 O GLU A 38 -15.780 6.470 -6.616 1.00 0.00 O ATOM 590 CB GLU A 38 -17.105 3.865 -6.466 1.00 0.00 C ATOM 591 CG GLU A 38 -17.283 2.406 -6.081 1.00 0.00 C ATOM 592 CD GLU A 38 -18.616 2.144 -5.411 1.00 0.00 C ATOM 593 OE1 GLU A 38 -19.101 3.029 -4.672 1.00 0.00 O ATOM 594 OE2 GLU A 38 -19.195 1.056 -5.628 1.00 0.00 O ATOM 0 H GLU A 38 -14.578 4.136 -5.551 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.841 3.594 -8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -17.118 4.473 -5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.956 4.177 -7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -17.199 1.785 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.477 2.109 -5.409 1.00 0.00 H new ATOM 601 N GLY A 39 -15.541 5.981 -8.803 1.00 0.00 N ATOM 602 CA GLY A 39 -15.434 7.371 -9.196 1.00 0.00 C ATOM 603 C GLY A 39 -14.409 7.569 -10.293 1.00 0.00 C ATOM 604 O GLY A 39 -14.070 6.624 -11.002 1.00 0.00 O ATOM 0 H GLY A 39 -15.469 5.314 -9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.406 7.728 -9.538 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.160 7.973 -8.330 1.00 0.00 H new ATOM 608 N TYR A 40 -13.917 8.792 -10.433 1.00 0.00 N ATOM 609 CA TYR A 40 -12.910 9.104 -11.440 1.00 0.00 C ATOM 610 C TYR A 40 -11.843 10.017 -10.854 1.00 0.00 C ATOM 611 O TYR A 40 -12.088 10.720 -9.873 1.00 0.00 O ATOM 612 CB TYR A 40 -13.551 9.750 -12.673 1.00 0.00 C ATOM 613 CG TYR A 40 -14.330 8.773 -13.525 1.00 0.00 C ATOM 614 CD1 TYR A 40 -13.671 7.911 -14.392 1.00 0.00 C ATOM 615 CD2 TYR A 40 -15.716 8.700 -13.454 1.00 0.00 C ATOM 616 CE1 TYR A 40 -14.369 7.008 -15.168 1.00 0.00 C ATOM 617 CE2 TYR A 40 -16.422 7.796 -14.226 1.00 0.00 C ATOM 618 CZ TYR A 40 -15.743 6.953 -15.082 1.00 0.00 C ATOM 619 OH TYR A 40 -16.439 6.047 -15.850 1.00 0.00 O ATOM 0 H TYR A 40 -14.199 9.587 -9.860 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.439 8.172 -11.753 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.217 10.551 -12.350 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.771 10.209 -13.280 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -12.594 7.948 -14.460 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -16.250 9.359 -12.786 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -13.841 6.348 -15.840 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -17.499 7.750 -14.159 1.00 0.00 H new ATOM 0 HH TYR A 40 -17.398 6.135 -15.671 1.00 0.00 H new ATOM 629 N ASN A 41 -10.664 10.008 -11.459 1.00 0.00 N ATOM 630 CA ASN A 41 -9.524 10.749 -10.927 1.00 0.00 C ATOM 631 C ASN A 41 -8.877 11.638 -11.993 1.00 0.00 C ATOM 632 O ASN A 41 -7.920 11.243 -12.657 1.00 0.00 O ATOM 633 CB ASN A 41 -8.493 9.783 -10.316 1.00 0.00 C ATOM 634 CG ASN A 41 -8.260 8.529 -11.152 1.00 0.00 C ATOM 635 OD1 ASN A 41 -8.357 8.547 -12.378 1.00 0.00 O ATOM 636 ND2 ASN A 41 -7.964 7.421 -10.487 1.00 0.00 N ATOM 0 H ASN A 41 -10.469 9.496 -12.319 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.893 11.407 -10.140 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.546 10.307 -10.191 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.828 9.489 -9.321 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.809 6.549 -10.993 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.891 7.441 -9.470 1.00 0.00 H new ATOM 643 N PRO A 42 -9.406 12.861 -12.172 1.00 0.00 N ATOM 644 CA PRO A 42 -8.892 13.816 -13.154 1.00 0.00 C ATOM 645 C PRO A 42 -7.628 14.525 -12.671 1.00 0.00 C ATOM 646 O PRO A 42 -6.539 14.314 -13.208 1.00 0.00 O ATOM 647 CB PRO A 42 -10.042 14.827 -13.323 1.00 0.00 C ATOM 648 CG PRO A 42 -11.171 14.318 -12.479 1.00 0.00 C ATOM 649 CD PRO A 42 -10.560 13.407 -11.455 1.00 0.00 C ATOM 0 HA PRO A 42 -8.606 13.321 -14.082 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.735 15.823 -13.004 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.341 14.905 -14.368 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.699 15.142 -11.999 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.900 13.784 -13.088 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.262 13.947 -10.556 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.252 12.625 -11.142 1.00 0.00 H new ATOM 657 N SER A 43 -7.775 15.356 -11.649 1.00 0.00 N ATOM 658 CA SER A 43 -6.660 16.117 -11.103 1.00 0.00 C ATOM 659 C SER A 43 -5.876 15.290 -10.093 1.00 0.00 C ATOM 660 O SER A 43 -4.784 15.670 -9.669 1.00 0.00 O ATOM 661 CB SER A 43 -7.189 17.387 -10.445 1.00 0.00 C ATOM 662 OG SER A 43 -8.263 17.083 -9.570 1.00 0.00 O ATOM 0 H SER A 43 -8.664 15.521 -11.177 1.00 0.00 H new ATOM 0 HA SER A 43 -5.984 16.380 -11.917 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.388 17.877 -9.891 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.523 18.088 -11.210 1.00 0.00 H new ATOM 0 HG SER A 43 -8.590 17.908 -9.155 1.00 0.00 H new ATOM 668 N ILE A 44 -6.447 14.157 -9.709 1.00 0.00 N ATOM 669 CA ILE A 44 -5.817 13.266 -8.752 1.00 0.00 C ATOM 670 C ILE A 44 -4.696 12.480 -9.421 1.00 0.00 C ATOM 671 O ILE A 44 -4.940 11.659 -10.306 1.00 0.00 O ATOM 672 CB ILE A 44 -6.842 12.294 -8.135 1.00 0.00 C ATOM 673 CG1 ILE A 44 -7.965 13.081 -7.451 1.00 0.00 C ATOM 674 CG2 ILE A 44 -6.163 11.358 -7.145 1.00 0.00 C ATOM 675 CD1 ILE A 44 -9.065 12.208 -6.888 1.00 0.00 C ATOM 0 H ILE A 44 -7.352 13.834 -10.050 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.400 13.877 -7.951 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.275 11.689 -8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.539 13.678 -6.645 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.398 13.777 -8.169 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.903 10.679 -6.720 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.394 10.781 -7.659 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.706 11.942 -6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.824 12.835 -6.420 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.519 11.630 -7.693 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.646 11.529 -6.145 1.00 0.00 H new ATOM 687 N ASN A 45 -3.472 12.752 -9.004 1.00 0.00 N ATOM 688 CA ASN A 45 -2.300 12.126 -9.599 1.00 0.00 C ATOM 689 C ASN A 45 -2.029 10.774 -8.960 1.00 0.00 C ATOM 690 O ASN A 45 -1.821 10.676 -7.748 1.00 0.00 O ATOM 691 CB ASN A 45 -1.070 13.024 -9.441 1.00 0.00 C ATOM 692 CG ASN A 45 -1.212 14.353 -10.156 1.00 0.00 C ATOM 693 OD1 ASN A 45 -0.830 14.493 -11.317 1.00 0.00 O ATOM 694 ND2 ASN A 45 -1.762 15.339 -9.468 1.00 0.00 N ATOM 0 H ASN A 45 -3.261 13.406 -8.251 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.501 11.982 -10.661 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.893 13.205 -8.381 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.194 12.502 -9.826 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.882 16.256 -9.898 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.066 15.183 -8.507 1.00 0.00 H new ATOM 701 N VAL A 46 -2.021 9.736 -9.781 1.00 0.00 N ATOM 702 CA VAL A 46 -1.762 8.385 -9.309 1.00 0.00 C ATOM 703 C VAL A 46 -0.356 8.285 -8.723 1.00 0.00 C ATOM 704 O VAL A 46 -0.133 7.598 -7.728 1.00 0.00 O ATOM 705 CB VAL A 46 -1.915 7.356 -10.448 1.00 0.00 C ATOM 706 CG1 VAL A 46 -1.777 5.938 -9.919 1.00 0.00 C ATOM 707 CG2 VAL A 46 -3.247 7.539 -11.159 1.00 0.00 C ATOM 0 H VAL A 46 -2.192 9.804 -10.784 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.496 8.161 -8.535 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.116 7.526 -11.169 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.889 5.231 -10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.794 5.813 -9.464 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.549 5.751 -9.172 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.336 6.804 -11.959 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.061 7.402 -10.447 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.299 8.543 -11.581 1.00 0.00 H new ATOM 717 N ASN A 47 0.581 8.999 -9.334 1.00 0.00 N ATOM 718 CA ASN A 47 1.968 9.004 -8.874 1.00 0.00 C ATOM 719 C ASN A 47 2.095 9.764 -7.555 1.00 0.00 C ATOM 720 O ASN A 47 3.030 9.545 -6.788 1.00 0.00 O ATOM 721 CB ASN A 47 2.873 9.633 -9.941 1.00 0.00 C ATOM 722 CG ASN A 47 4.350 9.552 -9.592 1.00 0.00 C ATOM 723 OD1 ASN A 47 4.912 10.469 -8.987 1.00 0.00 O ATOM 724 ND2 ASN A 47 4.986 8.456 -9.973 1.00 0.00 N ATOM 0 H ASN A 47 0.407 9.584 -10.151 1.00 0.00 H new ATOM 0 HA ASN A 47 2.283 7.974 -8.707 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.703 9.133 -10.894 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.594 10.678 -10.075 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.979 8.345 -9.768 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.483 7.722 -10.471 1.00 0.00 H new ATOM 731 N GLU A 48 1.129 10.640 -7.290 1.00 0.00 N ATOM 732 CA GLU A 48 1.136 11.453 -6.078 1.00 0.00 C ATOM 733 C GLU A 48 0.434 10.716 -4.936 1.00 0.00 C ATOM 734 O GLU A 48 0.577 11.070 -3.767 1.00 0.00 O ATOM 735 CB GLU A 48 0.445 12.794 -6.346 1.00 0.00 C ATOM 736 CG GLU A 48 0.554 13.790 -5.204 1.00 0.00 C ATOM 737 CD GLU A 48 -0.280 15.031 -5.439 1.00 0.00 C ATOM 738 OE1 GLU A 48 -1.474 15.025 -5.072 1.00 0.00 O ATOM 739 OE2 GLU A 48 0.253 16.020 -5.989 1.00 0.00 O ATOM 0 H GLU A 48 0.329 10.805 -7.901 1.00 0.00 H new ATOM 0 HA GLU A 48 2.170 11.638 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.875 13.239 -7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.609 12.611 -6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.236 13.312 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.598 14.076 -5.074 1.00 0.00 H new ATOM 746 N LEU A 49 -0.343 9.700 -5.285 1.00 0.00 N ATOM 747 CA LEU A 49 -1.012 8.879 -4.284 1.00 0.00 C ATOM 748 C LEU A 49 -0.086 7.775 -3.790 1.00 0.00 C ATOM 749 O LEU A 49 0.527 7.060 -4.585 1.00 0.00 O ATOM 750 CB LEU A 49 -2.292 8.270 -4.856 1.00 0.00 C ATOM 751 CG LEU A 49 -3.349 9.275 -5.309 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.555 8.551 -5.875 1.00 0.00 C ATOM 753 CD2 LEU A 49 -3.761 10.174 -4.154 1.00 0.00 C ATOM 0 H LEU A 49 -0.526 9.425 -6.250 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.274 9.519 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.027 7.640 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.733 7.619 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.920 9.899 -6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.300 9.280 -6.194 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.249 7.947 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.984 7.905 -5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.515 10.883 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.174 9.566 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.890 10.718 -3.788 1.00 0.00 H new ATOM 765 N PHE A 50 0.011 7.634 -2.476 1.00 0.00 N ATOM 766 CA PHE A 50 0.902 6.649 -1.883 1.00 0.00 C ATOM 767 C PHE A 50 0.170 5.770 -0.877 1.00 0.00 C ATOM 768 O PHE A 50 -0.827 6.181 -0.280 1.00 0.00 O ATOM 769 CB PHE A 50 2.078 7.337 -1.183 1.00 0.00 C ATOM 770 CG PHE A 50 2.952 8.144 -2.098 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.857 7.518 -2.940 1.00 0.00 C ATOM 772 CD2 PHE A 50 2.877 9.527 -2.110 1.00 0.00 C ATOM 773 CE1 PHE A 50 4.667 8.258 -3.779 1.00 0.00 C ATOM 774 CE2 PHE A 50 3.683 10.272 -2.948 1.00 0.00 C ATOM 775 CZ PHE A 50 4.582 9.636 -3.782 1.00 0.00 C ATOM 0 H PHE A 50 -0.516 8.189 -1.801 1.00 0.00 H new ATOM 0 HA PHE A 50 1.273 6.022 -2.693 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.689 7.990 -0.401 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.688 6.579 -0.692 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.930 6.440 -2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.179 10.029 -1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.367 7.759 -4.433 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.611 11.350 -2.951 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.217 10.216 -4.435 1.00 0.00 H new ATOM 785 N ALA A 51 0.670 4.555 -0.711 1.00 0.00 N ATOM 786 CA ALA A 51 0.212 3.664 0.341 1.00 0.00 C ATOM 787 C ALA A 51 1.361 3.413 1.307 1.00 0.00 C ATOM 788 O ALA A 51 2.380 2.850 0.921 1.00 0.00 O ATOM 789 CB ALA A 51 -0.286 2.355 -0.251 1.00 0.00 C ATOM 0 H ALA A 51 1.403 4.161 -1.301 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.618 4.125 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.625 1.699 0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.114 2.555 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.524 1.871 -0.797 1.00 0.00 H new ATOM 795 N TYR A 52 1.212 3.842 2.548 1.00 0.00 N ATOM 796 CA TYR A 52 2.310 3.766 3.499 1.00 0.00 C ATOM 797 C TYR A 52 2.083 2.688 4.547 1.00 0.00 C ATOM 798 O TYR A 52 0.952 2.410 4.945 1.00 0.00 O ATOM 799 CB TYR A 52 2.547 5.120 4.188 1.00 0.00 C ATOM 800 CG TYR A 52 1.391 5.626 5.031 1.00 0.00 C ATOM 801 CD1 TYR A 52 0.372 6.384 4.470 1.00 0.00 C ATOM 802 CD2 TYR A 52 1.337 5.355 6.393 1.00 0.00 C ATOM 803 CE1 TYR A 52 -0.672 6.857 5.245 1.00 0.00 C ATOM 804 CE2 TYR A 52 0.294 5.822 7.172 1.00 0.00 C ATOM 805 CZ TYR A 52 -0.706 6.570 6.593 1.00 0.00 C ATOM 806 OH TYR A 52 -1.742 7.041 7.369 1.00 0.00 O ATOM 0 H TYR A 52 0.351 4.243 2.919 1.00 0.00 H new ATOM 0 HA TYR A 52 3.199 3.501 2.926 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.430 5.037 4.822 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.772 5.864 3.424 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.395 6.608 3.414 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.122 4.771 6.850 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.456 7.448 4.796 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.264 5.601 8.229 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.616 6.749 8.296 1.00 0.00 H new ATOM 816 N VAL A 53 3.174 2.071 4.965 1.00 0.00 N ATOM 817 CA VAL A 53 3.168 1.179 6.110 1.00 0.00 C ATOM 818 C VAL A 53 3.982 1.806 7.240 1.00 0.00 C ATOM 819 O VAL A 53 5.166 2.123 7.069 1.00 0.00 O ATOM 820 CB VAL A 53 3.726 -0.222 5.766 1.00 0.00 C ATOM 821 CG1 VAL A 53 2.703 -1.027 4.981 1.00 0.00 C ATOM 822 CG2 VAL A 53 5.026 -0.119 4.980 1.00 0.00 C ATOM 0 H VAL A 53 4.087 2.174 4.521 1.00 0.00 H new ATOM 0 HA VAL A 53 2.133 1.041 6.423 1.00 0.00 H new ATOM 0 HB VAL A 53 3.934 -0.736 6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.114 -2.009 4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.798 -1.144 5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.463 -0.505 4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.394 -1.120 4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.847 0.422 4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.769 0.415 5.573 1.00 0.00 H new ATOM 832 N ASP A 54 3.346 2.019 8.381 1.00 0.00 N ATOM 833 CA ASP A 54 4.017 2.656 9.501 1.00 0.00 C ATOM 834 C ASP A 54 4.741 1.618 10.351 1.00 0.00 C ATOM 835 O ASP A 54 4.216 1.090 11.328 1.00 0.00 O ATOM 836 CB ASP A 54 3.039 3.499 10.342 1.00 0.00 C ATOM 837 CG ASP A 54 1.932 2.695 10.998 1.00 0.00 C ATOM 838 OD1 ASP A 54 1.331 1.837 10.326 1.00 0.00 O ATOM 839 OD2 ASP A 54 1.658 2.919 12.198 1.00 0.00 O ATOM 0 H ASP A 54 2.374 1.762 8.555 1.00 0.00 H new ATOM 0 HA ASP A 54 4.763 3.343 9.102 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.600 4.022 11.116 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.591 4.260 9.703 1.00 0.00 H new ATOM 844 N LEU A 55 5.967 1.319 9.947 1.00 0.00 N ATOM 845 CA LEU A 55 6.813 0.367 10.657 1.00 0.00 C ATOM 846 C LEU A 55 7.446 1.004 11.891 1.00 0.00 C ATOM 847 O LEU A 55 8.538 0.619 12.300 1.00 0.00 O ATOM 848 CB LEU A 55 7.915 -0.151 9.725 1.00 0.00 C ATOM 849 CG LEU A 55 7.601 -1.449 8.972 1.00 0.00 C ATOM 850 CD1 LEU A 55 6.365 -1.299 8.105 1.00 0.00 C ATOM 851 CD2 LEU A 55 8.791 -1.866 8.125 1.00 0.00 C ATOM 0 H LEU A 55 6.404 1.727 9.121 1.00 0.00 H new ATOM 0 HA LEU A 55 6.186 -0.463 10.981 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.140 0.625 8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.819 -0.305 10.314 1.00 0.00 H new ATOM 0 HG LEU A 55 7.400 -2.225 9.710 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.170 -2.237 7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.510 -1.047 8.732 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.527 -0.506 7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.555 -2.789 7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.017 -1.081 7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.656 -2.028 8.768 1.00 0.00 H new ATOM 863 N SER A 56 6.756 1.969 12.483 1.00 0.00 N ATOM 864 CA SER A 56 7.258 2.651 13.664 1.00 0.00 C ATOM 865 C SER A 56 7.343 1.677 14.834 1.00 0.00 C ATOM 866 O SER A 56 6.356 1.422 15.525 1.00 0.00 O ATOM 867 CB SER A 56 6.360 3.839 13.994 1.00 0.00 C ATOM 868 OG SER A 56 6.229 4.689 12.863 1.00 0.00 O ATOM 0 H SER A 56 5.845 2.297 12.162 1.00 0.00 H new ATOM 0 HA SER A 56 8.262 3.027 13.469 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.378 3.485 14.307 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.778 4.398 14.831 1.00 0.00 H new ATOM 0 HG SER A 56 5.649 5.446 13.088 1.00 0.00 H new ATOM 874 N GLY A 57 8.530 1.125 15.022 1.00 0.00 N ATOM 875 CA GLY A 57 8.736 0.074 15.992 1.00 0.00 C ATOM 876 C GLY A 57 9.549 -1.052 15.390 1.00 0.00 C ATOM 877 O GLY A 57 10.733 -1.197 15.700 1.00 0.00 O ATOM 0 H GLY A 57 9.369 1.393 14.508 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.249 0.474 16.866 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.774 -0.307 16.334 1.00 0.00 H new ATOM 881 N SER A 58 8.905 -1.834 14.524 1.00 0.00 N ATOM 882 CA SER A 58 9.564 -2.888 13.745 1.00 0.00 C ATOM 883 C SER A 58 10.255 -3.935 14.613 1.00 0.00 C ATOM 884 O SER A 58 11.380 -3.735 15.081 1.00 0.00 O ATOM 885 CB SER A 58 10.582 -2.290 12.769 1.00 0.00 C ATOM 886 OG SER A 58 9.946 -1.517 11.769 1.00 0.00 O ATOM 0 H SER A 58 7.905 -1.755 14.340 1.00 0.00 H new ATOM 0 HA SER A 58 8.769 -3.391 13.194 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.291 -1.668 13.316 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.155 -3.091 12.302 1.00 0.00 H new ATOM 0 HG SER A 58 9.409 -0.814 12.191 1.00 0.00 H new ATOM 892 N GLU A 59 9.586 -5.054 14.826 1.00 0.00 N ATOM 893 CA GLU A 59 10.229 -6.199 15.441 1.00 0.00 C ATOM 894 C GLU A 59 10.941 -7.004 14.361 1.00 0.00 C ATOM 895 O GLU A 59 10.309 -7.462 13.410 1.00 0.00 O ATOM 896 CB GLU A 59 9.216 -7.075 16.177 1.00 0.00 C ATOM 897 CG GLU A 59 8.570 -6.386 17.366 1.00 0.00 C ATOM 898 CD GLU A 59 9.588 -5.831 18.339 1.00 0.00 C ATOM 899 OE1 GLU A 59 10.256 -6.631 19.028 1.00 0.00 O ATOM 900 OE2 GLU A 59 9.732 -4.593 18.416 1.00 0.00 O ATOM 0 H GLU A 59 8.605 -5.193 14.584 1.00 0.00 H new ATOM 0 HA GLU A 59 10.951 -5.846 16.177 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.438 -7.382 15.478 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.713 -7.983 16.519 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.933 -5.576 17.010 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.925 -7.094 17.885 1.00 0.00 H new ATOM 907 N PRO A 60 12.270 -7.154 14.477 1.00 0.00 N ATOM 908 CA PRO A 60 13.077 -7.859 13.478 1.00 0.00 C ATOM 909 C PRO A 60 12.564 -9.268 13.215 1.00 0.00 C ATOM 910 O PRO A 60 12.581 -10.126 14.099 1.00 0.00 O ATOM 911 CB PRO A 60 14.474 -7.902 14.105 1.00 0.00 C ATOM 912 CG PRO A 60 14.492 -6.769 15.070 1.00 0.00 C ATOM 913 CD PRO A 60 13.090 -6.648 15.592 1.00 0.00 C ATOM 0 HA PRO A 60 13.052 -7.361 12.509 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.653 -8.853 14.607 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.251 -7.790 13.349 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.195 -6.958 15.881 1.00 0.00 H new ATOM 0 HG3 PRO A 60 14.808 -5.847 14.583 1.00 0.00 H new ATOM 0 HD2 PRO A 60 12.945 -7.237 16.498 1.00 0.00 H new ATOM 0 HD3 PRO A 60 12.840 -5.616 15.840 1.00 0.00 H new ATOM 921 N GLY A 61 12.094 -9.492 12.002 1.00 0.00 N ATOM 922 CA GLY A 61 11.559 -10.782 11.637 1.00 0.00 C ATOM 923 C GLY A 61 10.450 -10.651 10.621 1.00 0.00 C ATOM 924 O GLY A 61 10.350 -9.634 9.936 1.00 0.00 O ATOM 0 H GLY A 61 12.074 -8.796 11.257 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.355 -11.406 11.231 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.182 -11.286 12.527 1.00 0.00 H new ATOM 928 N GLU A 62 9.606 -11.660 10.535 1.00 0.00 N ATOM 929 CA GLU A 62 8.521 -11.667 9.572 1.00 0.00 C ATOM 930 C GLU A 62 7.216 -11.276 10.262 1.00 0.00 C ATOM 931 O GLU A 62 6.646 -12.059 11.021 1.00 0.00 O ATOM 932 CB GLU A 62 8.416 -13.055 8.941 1.00 0.00 C ATOM 933 CG GLU A 62 7.413 -13.158 7.812 1.00 0.00 C ATOM 934 CD GLU A 62 7.397 -14.540 7.196 1.00 0.00 C ATOM 935 OE1 GLU A 62 6.757 -15.446 7.773 1.00 0.00 O ATOM 936 OE2 GLU A 62 8.037 -14.733 6.146 1.00 0.00 O ATOM 0 H GLU A 62 9.651 -12.491 11.124 1.00 0.00 H new ATOM 0 HA GLU A 62 8.718 -10.941 8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.397 -13.345 8.565 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.147 -13.773 9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.418 -12.916 8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.653 -12.421 7.045 1.00 0.00 H new ATOM 943 N HIS A 63 6.769 -10.048 10.028 1.00 0.00 N ATOM 944 CA HIS A 63 5.582 -9.527 10.701 1.00 0.00 C ATOM 945 C HIS A 63 4.622 -8.904 9.699 1.00 0.00 C ATOM 946 O HIS A 63 5.036 -8.433 8.640 1.00 0.00 O ATOM 947 CB HIS A 63 5.968 -8.491 11.767 1.00 0.00 C ATOM 948 CG HIS A 63 6.745 -9.063 12.916 1.00 0.00 C ATOM 949 ND1 HIS A 63 6.199 -9.294 14.158 1.00 0.00 N ATOM 950 CD2 HIS A 63 8.035 -9.465 12.999 1.00 0.00 C ATOM 951 CE1 HIS A 63 7.117 -9.814 14.951 1.00 0.00 C ATOM 952 NE2 HIS A 63 8.242 -9.930 14.273 1.00 0.00 N ATOM 0 H HIS A 63 7.208 -9.395 9.379 1.00 0.00 H new ATOM 0 HA HIS A 63 5.084 -10.364 11.190 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.558 -7.704 11.298 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.061 -8.024 12.151 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.768 -9.427 12.207 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.971 -10.097 15.983 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.119 -10.303 14.635 1.00 0.00 H new ATOM 961 N ASP A 64 3.340 -8.907 10.034 1.00 0.00 N ATOM 962 CA ASP A 64 2.315 -8.365 9.151 1.00 0.00 C ATOM 963 C ASP A 64 2.061 -6.896 9.457 1.00 0.00 C ATOM 964 O ASP A 64 1.858 -6.518 10.613 1.00 0.00 O ATOM 965 CB ASP A 64 1.005 -9.144 9.296 1.00 0.00 C ATOM 966 CG ASP A 64 1.144 -10.615 8.967 1.00 0.00 C ATOM 967 OD1 ASP A 64 1.123 -10.972 7.769 1.00 0.00 O ATOM 968 OD2 ASP A 64 1.251 -11.428 9.909 1.00 0.00 O ATOM 0 H ASP A 64 2.983 -9.280 10.914 1.00 0.00 H new ATOM 0 HA ASP A 64 2.677 -8.461 8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.640 -9.040 10.318 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.253 -8.702 8.642 1.00 0.00 H new ATOM 973 N TYR A 65 2.073 -6.071 8.423 1.00 0.00 N ATOM 974 CA TYR A 65 1.802 -4.648 8.573 1.00 0.00 C ATOM 975 C TYR A 65 0.649 -4.233 7.666 1.00 0.00 C ATOM 976 O TYR A 65 0.420 -4.847 6.622 1.00 0.00 O ATOM 977 CB TYR A 65 3.057 -3.825 8.264 1.00 0.00 C ATOM 978 CG TYR A 65 4.187 -4.047 9.250 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.258 -3.317 10.430 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.181 -4.988 9.003 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.285 -3.516 11.335 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.211 -5.193 9.903 1.00 0.00 C ATOM 983 CZ TYR A 65 6.258 -4.455 11.067 1.00 0.00 C ATOM 984 OH TYR A 65 7.282 -4.658 11.967 1.00 0.00 O ATOM 0 H TYR A 65 2.268 -6.363 7.465 1.00 0.00 H new ATOM 0 HA TYR A 65 1.516 -4.455 9.607 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.406 -4.073 7.262 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.795 -2.767 8.257 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.498 -2.581 10.645 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.148 -5.569 8.093 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.324 -2.939 12.247 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.975 -5.928 9.695 1.00 0.00 H new ATOM 0 HH TYR A 65 7.882 -5.354 11.628 1.00 0.00 H new ATOM 994 N GLU A 66 -0.076 -3.201 8.073 1.00 0.00 N ATOM 995 CA GLU A 66 -1.260 -2.758 7.344 1.00 0.00 C ATOM 996 C GLU A 66 -0.895 -1.769 6.244 1.00 0.00 C ATOM 997 O GLU A 66 -0.119 -0.840 6.469 1.00 0.00 O ATOM 998 CB GLU A 66 -2.241 -2.084 8.297 1.00 0.00 C ATOM 999 CG GLU A 66 -2.607 -2.920 9.506 1.00 0.00 C ATOM 1000 CD GLU A 66 -3.247 -2.079 10.586 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -2.533 -1.258 11.197 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -4.462 -2.216 10.818 1.00 0.00 O ATOM 0 H GLU A 66 0.134 -2.652 8.907 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.716 -3.639 6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.810 -1.142 8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.151 -1.839 7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.292 -3.714 9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.713 -3.402 9.901 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.466 -1.969 5.068 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.313 -1.029 3.971 1.00 0.00 C ATOM 1011 C VAL A 67 -2.259 0.151 4.162 1.00 0.00 C ATOM 1012 O VAL A 67 -3.478 0.008 4.047 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.595 -1.694 2.609 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.500 -0.678 1.482 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.635 -2.850 2.369 1.00 0.00 C ATOM 0 H VAL A 67 -2.044 -2.780 4.848 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.279 -0.683 3.974 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.611 -2.088 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.703 -1.170 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.231 0.114 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.498 -0.249 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.850 -3.307 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.390 -2.479 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.757 -3.593 3.157 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.699 1.305 4.473 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.498 2.489 4.730 1.00 0.00 C ATOM 1027 C LYS A 68 -2.346 3.489 3.594 1.00 0.00 C ATOM 1028 O LYS A 68 -1.290 4.085 3.414 1.00 0.00 O ATOM 1029 CB LYS A 68 -2.076 3.116 6.057 1.00 0.00 C ATOM 1030 CG LYS A 68 -2.105 2.130 7.211 1.00 0.00 C ATOM 1031 CD LYS A 68 -1.562 2.736 8.490 1.00 0.00 C ATOM 1032 CE LYS A 68 -1.533 1.709 9.614 1.00 0.00 C ATOM 1033 NZ LYS A 68 -2.885 1.166 9.924 1.00 0.00 N ATOM 0 H LYS A 68 -0.692 1.448 4.554 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.548 2.203 4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.069 3.522 5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.736 3.953 6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.129 1.794 7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.519 1.249 6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.556 3.118 8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.179 3.585 8.785 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.871 0.889 9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.115 2.167 10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.810 0.459 10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.508 1.940 10.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.283 0.719 9.073 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.400 3.652 2.819 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.376 4.554 1.677 1.00 0.00 C ATOM 1049 C VAL A 69 -3.752 5.970 2.112 1.00 0.00 C ATOM 1050 O VAL A 69 -4.494 6.146 3.080 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.352 4.073 0.576 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.230 4.921 -0.683 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.117 2.604 0.256 1.00 0.00 C ATOM 0 H VAL A 69 -4.289 3.171 2.958 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.364 4.558 1.271 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.366 4.188 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.929 4.557 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.461 5.960 -0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.213 4.854 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.813 2.285 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.094 2.467 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.276 2.006 1.154 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.208 6.969 1.416 1.00 0.00 N ATOM 1064 CA GLU A 70 -3.599 8.360 1.629 1.00 0.00 C ATOM 1065 C GLU A 70 -5.115 8.495 1.518 1.00 0.00 C ATOM 1066 O GLU A 70 -5.710 8.028 0.546 1.00 0.00 O ATOM 1067 CB GLU A 70 -2.932 9.271 0.592 1.00 0.00 C ATOM 1068 CG GLU A 70 -1.415 9.318 0.681 1.00 0.00 C ATOM 1069 CD GLU A 70 -0.917 10.032 1.922 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -0.902 11.283 1.932 1.00 0.00 O ATOM 1071 OE2 GLU A 70 -0.509 9.349 2.882 1.00 0.00 O ATOM 0 H GLU A 70 -2.494 6.839 0.699 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.275 8.660 2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.215 8.934 -0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.322 10.282 0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.024 8.300 0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.020 9.819 -0.203 1.00 0.00 H new ATOM 1078 N PRO A 71 -5.760 9.121 2.513 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.213 9.296 2.517 1.00 0.00 C ATOM 1080 C PRO A 71 -7.686 10.108 1.316 1.00 0.00 C ATOM 1081 O PRO A 71 -7.205 11.219 1.072 1.00 0.00 O ATOM 1082 CB PRO A 71 -7.491 10.051 3.825 1.00 0.00 C ATOM 1083 CG PRO A 71 -6.181 10.642 4.223 1.00 0.00 C ATOM 1084 CD PRO A 71 -5.128 9.706 3.705 1.00 0.00 C ATOM 0 HA PRO A 71 -7.741 8.344 2.452 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.244 10.825 3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.869 9.378 4.595 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.059 11.639 3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.113 10.745 5.306 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.207 10.233 3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.870 8.943 4.440 1.00 0.00 H new ATOM 1092 N ILE A 72 -8.610 9.544 0.554 1.00 0.00 N ATOM 1093 CA ILE A 72 -9.124 10.209 -0.631 1.00 0.00 C ATOM 1094 C ILE A 72 -10.595 10.565 -0.449 1.00 0.00 C ATOM 1095 O ILE A 72 -11.475 9.737 -0.680 1.00 0.00 O ATOM 1096 CB ILE A 72 -8.964 9.333 -1.897 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.516 8.855 -2.040 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -9.389 10.112 -3.137 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.300 7.896 -3.194 1.00 0.00 C ATOM 0 H ILE A 72 -9.019 8.627 0.736 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.539 11.119 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.608 8.459 -1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.869 9.722 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.210 8.369 -1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.271 9.483 -4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.433 10.409 -3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.767 11.001 -3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.251 7.602 -3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.920 7.011 -3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.573 8.385 -4.129 1.00 0.00 H new ATOM 1111 N PRO A 73 -10.887 11.803 -0.025 1.00 0.00 N ATOM 1112 CA PRO A 73 -12.257 12.278 0.169 1.00 0.00 C ATOM 1113 C PRO A 73 -12.887 12.733 -1.140 1.00 0.00 C ATOM 1114 O PRO A 73 -13.824 13.531 -1.159 1.00 0.00 O ATOM 1115 CB PRO A 73 -12.100 13.462 1.140 1.00 0.00 C ATOM 1116 CG PRO A 73 -10.632 13.589 1.416 1.00 0.00 C ATOM 1117 CD PRO A 73 -9.920 12.844 0.323 1.00 0.00 C ATOM 0 HA PRO A 73 -12.914 11.496 0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.494 14.379 0.702 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.655 13.285 2.061 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.330 14.636 1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.385 13.173 2.393 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.692 13.488 -0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.975 12.423 0.666 1.00 0.00 H new ATOM 1125 N ASN A 74 -12.370 12.191 -2.228 1.00 0.00 N ATOM 1126 CA ASN A 74 -12.815 12.552 -3.569 1.00 0.00 C ATOM 1127 C ASN A 74 -13.397 11.334 -4.275 1.00 0.00 C ATOM 1128 O ASN A 74 -14.293 11.448 -5.111 1.00 0.00 O ATOM 1129 CB ASN A 74 -11.646 13.104 -4.398 1.00 0.00 C ATOM 1130 CG ASN A 74 -10.987 14.324 -3.779 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -11.627 15.121 -3.096 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -9.693 14.475 -4.017 1.00 0.00 N ATOM 0 H ASN A 74 -11.631 11.489 -2.211 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.581 13.322 -3.475 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.898 12.321 -4.523 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.007 13.362 -5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.193 15.274 -3.628 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.197 13.792 -4.589 1.00 0.00 H new ATOM 1139 N ILE A 75 -12.876 10.165 -3.926 1.00 0.00 N ATOM 1140 CA ILE A 75 -13.280 8.912 -4.541 1.00 0.00 C ATOM 1141 C ILE A 75 -13.585 7.896 -3.452 1.00 0.00 C ATOM 1142 O ILE A 75 -12.899 7.863 -2.430 1.00 0.00 O ATOM 1143 CB ILE A 75 -12.168 8.350 -5.460 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -11.762 9.379 -6.518 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -12.621 7.061 -6.129 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -10.623 8.922 -7.403 1.00 0.00 C ATOM 0 H ILE A 75 -12.160 10.061 -3.207 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.165 9.100 -5.148 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.299 8.133 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.627 9.607 -7.142 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.475 10.305 -6.020 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.824 6.684 -6.770 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.855 6.318 -5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.509 7.256 -6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.390 9.702 -8.128 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.744 8.722 -6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.913 8.013 -7.929 1.00 0.00 H new ATOM 1158 N LYS A 76 -14.602 7.074 -3.649 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.961 6.079 -2.653 1.00 0.00 C ATOM 1160 C LYS A 76 -14.053 4.869 -2.772 1.00 0.00 C ATOM 1161 O LYS A 76 -13.894 4.309 -3.859 1.00 0.00 O ATOM 1162 CB LYS A 76 -16.420 5.660 -2.791 1.00 0.00 C ATOM 1163 CG LYS A 76 -17.394 6.817 -2.695 1.00 0.00 C ATOM 1164 CD LYS A 76 -18.824 6.326 -2.570 1.00 0.00 C ATOM 1165 CE LYS A 76 -19.816 7.472 -2.684 1.00 0.00 C ATOM 1166 NZ LYS A 76 -19.782 8.098 -4.031 1.00 0.00 N ATOM 0 H LYS A 76 -15.190 7.075 -4.483 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.832 6.526 -1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.557 5.159 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.655 4.932 -2.015 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.143 7.436 -1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.300 7.448 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.026 5.589 -3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.955 5.823 -1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.821 7.104 -2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.591 8.224 -1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.658 8.637 -4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.965 8.739 -4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -19.699 7.357 -4.756 1.00 0.00 H new ATOM 1180 N ILE A 77 -13.459 4.468 -1.664 1.00 0.00 N ATOM 1181 CA ILE A 77 -12.538 3.346 -1.657 1.00 0.00 C ATOM 1182 C ILE A 77 -13.266 2.079 -1.213 1.00 0.00 C ATOM 1183 O ILE A 77 -13.870 2.028 -0.139 1.00 0.00 O ATOM 1184 CB ILE A 77 -11.299 3.620 -0.767 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -10.282 2.483 -0.887 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -11.698 3.826 0.689 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -8.988 2.744 -0.141 1.00 0.00 C ATOM 0 H ILE A 77 -13.598 4.905 -0.753 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.170 3.204 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.834 4.540 -1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.731 1.564 -0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.057 2.318 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.807 4.016 1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.374 4.678 0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.199 2.932 1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.316 1.896 -0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.516 3.645 -0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.200 2.879 0.920 1.00 0.00 H new ATOM 1199 N VAL A 78 -13.241 1.072 -2.065 1.00 0.00 N ATOM 1200 CA VAL A 78 -13.981 -0.153 -1.816 1.00 0.00 C ATOM 1201 C VAL A 78 -13.100 -1.200 -1.155 1.00 0.00 C ATOM 1202 O VAL A 78 -13.368 -1.638 -0.036 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.544 -0.733 -3.128 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.410 -1.952 -2.856 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -15.320 0.324 -3.893 1.00 0.00 C ATOM 0 H VAL A 78 -12.715 1.077 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.804 0.100 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.704 -1.051 -3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.795 -2.342 -3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.814 -2.719 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.243 -1.670 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.709 -0.107 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -16.149 0.680 -3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.660 1.158 -4.132 1.00 0.00 H new ATOM 1215 N GLU A 79 -12.037 -1.581 -1.844 1.00 0.00 N ATOM 1216 CA GLU A 79 -11.199 -2.689 -1.395 1.00 0.00 C ATOM 1217 C GLU A 79 -9.728 -2.410 -1.658 1.00 0.00 C ATOM 1218 O GLU A 79 -9.371 -1.872 -2.705 1.00 0.00 O ATOM 1219 CB GLU A 79 -11.600 -3.987 -2.103 1.00 0.00 C ATOM 1220 CG GLU A 79 -13.005 -4.463 -1.778 1.00 0.00 C ATOM 1221 CD GLU A 79 -13.346 -5.775 -2.449 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -12.930 -6.834 -1.932 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -14.031 -5.759 -3.488 1.00 0.00 O ATOM 0 H GLU A 79 -11.732 -1.144 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.349 -2.797 -0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.518 -3.841 -3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.891 -4.770 -1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.106 -4.575 -0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.723 -3.703 -2.088 1.00 0.00 H new ATOM 1230 N ILE A 80 -8.888 -2.774 -0.700 1.00 0.00 N ATOM 1231 CA ILE A 80 -7.446 -2.662 -0.856 1.00 0.00 C ATOM 1232 C ILE A 80 -6.844 -4.052 -1.037 1.00 0.00 C ATOM 1233 O ILE A 80 -7.011 -4.922 -0.184 1.00 0.00 O ATOM 1234 CB ILE A 80 -6.794 -1.983 0.370 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -7.501 -0.663 0.694 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -5.311 -1.739 0.114 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -6.980 0.017 1.943 1.00 0.00 C ATOM 0 H ILE A 80 -9.184 -3.152 0.200 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.250 -2.046 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.896 -2.649 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.389 0.016 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.568 -0.852 0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.865 -1.260 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.813 -2.690 -0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.193 -1.092 -0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.528 0.945 2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.116 -0.642 2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.920 0.239 1.821 1.00 0.00 H new ATOM 1249 N SER A 81 -6.181 -4.277 -2.159 1.00 0.00 N ATOM 1250 CA SER A 81 -5.566 -5.566 -2.430 1.00 0.00 C ATOM 1251 C SER A 81 -4.049 -5.428 -2.576 1.00 0.00 C ATOM 1252 O SER A 81 -3.567 -4.878 -3.572 1.00 0.00 O ATOM 1253 CB SER A 81 -6.160 -6.165 -3.707 1.00 0.00 C ATOM 1254 OG SER A 81 -7.579 -6.169 -3.657 1.00 0.00 O ATOM 0 H SER A 81 -6.055 -3.584 -2.897 1.00 0.00 H new ATOM 0 HA SER A 81 -5.770 -6.229 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.825 -5.592 -4.571 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.795 -7.183 -3.839 1.00 0.00 H new ATOM 0 HG SER A 81 -7.934 -6.555 -4.485 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.263 -5.904 -1.592 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.766 -6.500 -0.353 1.00 0.00 C ATOM 1262 C PRO A 82 -3.924 -5.475 0.767 1.00 0.00 C ATOM 1263 O PRO A 82 -3.540 -4.315 0.619 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.664 -7.498 -0.008 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.404 -6.880 -0.528 1.00 0.00 C ATOM 1266 CD PRO A 82 -1.794 -5.913 -1.624 1.00 0.00 C ATOM 0 HA PRO A 82 -4.757 -6.938 -0.470 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.606 -7.666 1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.849 -8.467 -0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.873 -6.362 0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.731 -7.646 -0.913 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.386 -4.919 -1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.419 -6.239 -2.594 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.480 -5.910 1.889 1.00 0.00 N ATOM 1275 CA ARG A 83 -4.684 -5.034 3.037 1.00 0.00 C ATOM 1276 C ARG A 83 -3.524 -5.169 4.009 1.00 0.00 C ATOM 1277 O ARG A 83 -2.933 -4.184 4.442 1.00 0.00 O ATOM 1278 CB ARG A 83 -5.970 -5.398 3.773 1.00 0.00 C ATOM 1279 CG ARG A 83 -7.208 -5.450 2.898 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.338 -6.160 3.621 1.00 0.00 C ATOM 1281 NE ARG A 83 -7.950 -7.517 4.011 1.00 0.00 N ATOM 1282 CZ ARG A 83 -7.795 -7.917 5.276 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -7.976 -7.059 6.276 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -7.441 -9.170 5.541 1.00 0.00 N ATOM 0 H ARG A 83 -4.800 -6.868 2.030 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.751 -4.011 2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.837 -6.369 4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.135 -4.672 4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.516 -4.439 2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.981 -5.969 1.967 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.620 -5.591 4.507 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.216 -6.202 2.976 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.788 -8.199 3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.234 -6.092 6.078 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.857 -7.368 7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.287 -9.829 4.778 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.323 -9.473 6.508 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.214 -6.410 4.353 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.171 -6.697 5.319 1.00 0.00 C ATOM 1300 C VAL A 84 -1.030 -7.451 4.650 1.00 0.00 C ATOM 1301 O VAL A 84 -1.220 -8.557 4.136 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.711 -7.526 6.502 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.638 -7.723 7.559 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -3.943 -6.866 7.108 1.00 0.00 C ATOM 0 H VAL A 84 -3.675 -7.237 3.973 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.806 -5.745 5.705 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.000 -8.506 6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.043 -8.310 8.383 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.789 -8.248 7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.312 -6.752 7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.306 -7.469 7.941 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.683 -5.870 7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.723 -6.786 6.351 1.00 0.00 H new ATOM 1314 N VAL A 85 0.150 -6.855 4.657 1.00 0.00 N ATOM 1315 CA VAL A 85 1.307 -7.442 4.003 1.00 0.00 C ATOM 1316 C VAL A 85 2.302 -7.979 5.023 1.00 0.00 C ATOM 1317 O VAL A 85 2.601 -7.325 6.024 1.00 0.00 O ATOM 1318 CB VAL A 85 2.017 -6.435 3.071 1.00 0.00 C ATOM 1319 CG1 VAL A 85 1.145 -6.110 1.870 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.385 -5.160 3.821 1.00 0.00 C ATOM 0 H VAL A 85 0.332 -5.960 5.111 1.00 0.00 H new ATOM 0 HA VAL A 85 0.935 -8.268 3.396 1.00 0.00 H new ATOM 0 HB VAL A 85 2.938 -6.898 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.663 -5.399 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.940 -7.023 1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.206 -5.674 2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.883 -4.469 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.481 -4.695 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.055 -5.404 4.646 1.00 0.00 H new ATOM 1330 N THR A 86 2.795 -9.179 4.779 1.00 0.00 N ATOM 1331 CA THR A 86 3.799 -9.777 5.634 1.00 0.00 C ATOM 1332 C THR A 86 5.187 -9.307 5.209 1.00 0.00 C ATOM 1333 O THR A 86 5.718 -9.752 4.191 1.00 0.00 O ATOM 1334 CB THR A 86 3.732 -11.310 5.573 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.362 -11.735 5.552 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.429 -11.928 6.773 1.00 0.00 C ATOM 0 H THR A 86 2.513 -9.761 3.990 1.00 0.00 H new ATOM 0 HA THR A 86 3.604 -9.464 6.660 1.00 0.00 H new ATOM 0 HB THR A 86 4.236 -11.639 4.665 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.863 -11.267 6.254 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.369 -13.014 6.709 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.475 -11.622 6.783 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.943 -11.591 7.689 1.00 0.00 H new ATOM 1344 N LEU A 87 5.755 -8.391 5.975 1.00 0.00 N ATOM 1345 CA LEU A 87 7.048 -7.826 5.639 1.00 0.00 C ATOM 1346 C LEU A 87 8.152 -8.520 6.417 1.00 0.00 C ATOM 1347 O LEU A 87 8.110 -8.602 7.646 1.00 0.00 O ATOM 1348 CB LEU A 87 7.068 -6.321 5.924 1.00 0.00 C ATOM 1349 CG LEU A 87 6.081 -5.491 5.098 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.166 -4.023 5.484 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.349 -5.666 3.610 1.00 0.00 C ATOM 0 H LEU A 87 5.341 -8.024 6.832 1.00 0.00 H new ATOM 0 HA LEU A 87 7.221 -7.982 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.855 -6.164 6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.075 -5.946 5.743 1.00 0.00 H new ATOM 0 HG LEU A 87 5.073 -5.846 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.458 -3.448 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.925 -3.910 6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.176 -3.657 5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.638 -5.069 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.363 -5.338 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.238 -6.717 3.341 1.00 0.00 H new ATOM 1363 N GLN A 88 9.129 -9.040 5.691 1.00 0.00 N ATOM 1364 CA GLN A 88 10.276 -9.681 6.306 1.00 0.00 C ATOM 1365 C GLN A 88 11.353 -8.648 6.599 1.00 0.00 C ATOM 1366 O GLN A 88 12.036 -8.165 5.691 1.00 0.00 O ATOM 1367 CB GLN A 88 10.826 -10.777 5.393 1.00 0.00 C ATOM 1368 CG GLN A 88 9.795 -11.829 5.023 1.00 0.00 C ATOM 1369 CD GLN A 88 10.354 -12.896 4.108 1.00 0.00 C ATOM 1370 OE1 GLN A 88 11.264 -12.644 3.318 1.00 0.00 O ATOM 1371 NE2 GLN A 88 9.814 -14.098 4.208 1.00 0.00 N ATOM 0 H GLN A 88 9.149 -9.029 4.671 1.00 0.00 H new ATOM 0 HA GLN A 88 9.962 -10.139 7.244 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.211 -10.320 4.481 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.668 -11.262 5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 88 9.417 -12.297 5.932 1.00 0.00 H new ATOM 0 HG3 GLN A 88 8.947 -11.346 4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.061 -14.265 4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.150 -14.859 3.617 1.00 0.00 H new ATOM 1380 N LEU A 89 11.484 -8.288 7.864 1.00 0.00 N ATOM 1381 CA LEU A 89 12.461 -7.298 8.277 1.00 0.00 C ATOM 1382 C LEU A 89 13.754 -7.964 8.726 1.00 0.00 C ATOM 1383 O LEU A 89 13.737 -8.949 9.469 1.00 0.00 O ATOM 1384 CB LEU A 89 11.901 -6.420 9.399 1.00 0.00 C ATOM 1385 CG LEU A 89 10.774 -5.473 8.978 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.330 -4.620 10.152 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.229 -4.594 7.828 1.00 0.00 C ATOM 0 H LEU A 89 10.923 -8.669 8.626 1.00 0.00 H new ATOM 0 HA LEU A 89 12.681 -6.666 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.534 -7.066 10.196 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.715 -5.828 9.818 1.00 0.00 H new ATOM 0 HG LEU A 89 9.925 -6.070 8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.529 -3.953 9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.970 -5.264 10.954 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.172 -4.029 10.512 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.418 -3.925 7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.092 -4.005 8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.504 -5.219 6.979 1.00 0.00 H new ATOM 1399 N GLU A 90 14.863 -7.426 8.256 1.00 0.00 N ATOM 1400 CA GLU A 90 16.179 -7.932 8.601 1.00 0.00 C ATOM 1401 C GLU A 90 16.901 -6.922 9.486 1.00 0.00 C ATOM 1402 O GLU A 90 16.433 -5.794 9.666 1.00 0.00 O ATOM 1403 CB GLU A 90 16.981 -8.200 7.323 1.00 0.00 C ATOM 1404 CG GLU A 90 17.642 -9.571 7.276 1.00 0.00 C ATOM 1405 CD GLU A 90 18.811 -9.698 8.229 1.00 0.00 C ATOM 1406 OE1 GLU A 90 18.580 -9.889 9.441 1.00 0.00 O ATOM 1407 OE2 GLU A 90 19.968 -9.603 7.772 1.00 0.00 O ATOM 0 H GLU A 90 14.878 -6.626 7.624 1.00 0.00 H new ATOM 0 HA GLU A 90 16.078 -8.868 9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.318 -8.099 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.751 -7.435 7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.901 -10.334 7.515 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.985 -9.768 6.260 1.00 0.00 H new ATOM 1414 N HIS A 91 18.035 -7.325 10.029 1.00 0.00 N ATOM 1415 CA HIS A 91 18.801 -6.485 10.935 1.00 0.00 C ATOM 1416 C HIS A 91 19.713 -5.554 10.150 1.00 0.00 C ATOM 1417 O HIS A 91 20.673 -5.993 9.519 1.00 0.00 O ATOM 1418 CB HIS A 91 19.638 -7.349 11.881 1.00 0.00 C ATOM 1419 CG HIS A 91 18.837 -8.366 12.634 1.00 0.00 C ATOM 1420 ND1 HIS A 91 18.455 -9.570 12.086 1.00 0.00 N ATOM 1421 CD2 HIS A 91 18.338 -8.352 13.891 1.00 0.00 C ATOM 1422 CE1 HIS A 91 17.758 -10.254 12.971 1.00 0.00 C ATOM 1423 NE2 HIS A 91 17.672 -9.538 14.075 1.00 0.00 N ATOM 0 H HIS A 91 18.451 -8.240 9.856 1.00 0.00 H new ATOM 0 HA HIS A 91 18.103 -5.888 11.522 1.00 0.00 H new ATOM 0 HB2 HIS A 91 20.409 -7.861 11.305 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.149 -6.702 12.594 1.00 0.00 H new ATOM 0 HD1 HIS A 91 18.677 -9.884 11.141 1.00 0.00 H new ATOM 0 HD2 HIS A 91 18.444 -7.557 14.614 1.00 0.00 H new ATOM 0 HE1 HIS A 91 17.330 -11.234 12.818 1.00 0.00 H new ATOM 1432 N HIS A 92 19.403 -4.269 10.179 1.00 0.00 N ATOM 1433 CA HIS A 92 20.230 -3.279 9.512 1.00 0.00 C ATOM 1434 C HIS A 92 21.372 -2.888 10.441 1.00 0.00 C ATOM 1435 O HIS A 92 21.151 -2.249 11.470 1.00 0.00 O ATOM 1436 CB HIS A 92 19.391 -2.054 9.131 1.00 0.00 C ATOM 1437 CG HIS A 92 20.092 -1.091 8.224 1.00 0.00 C ATOM 1438 ND1 HIS A 92 20.326 0.225 8.558 1.00 0.00 N ATOM 1439 CD2 HIS A 92 20.588 -1.252 6.975 1.00 0.00 C ATOM 1440 CE1 HIS A 92 20.936 0.829 7.555 1.00 0.00 C ATOM 1441 NE2 HIS A 92 21.108 -0.045 6.584 1.00 0.00 N ATOM 0 H HIS A 92 18.586 -3.888 10.656 1.00 0.00 H new ATOM 0 HA HIS A 92 20.641 -3.698 8.593 1.00 0.00 H new ATOM 0 HB2 HIS A 92 18.474 -2.391 8.647 1.00 0.00 H new ATOM 0 HB3 HIS A 92 19.097 -1.531 10.041 1.00 0.00 H new ATOM 0 HD1 HIS A 92 20.068 0.664 9.442 1.00 0.00 H new ATOM 0 HD2 HIS A 92 20.576 -2.162 6.394 1.00 0.00 H new ATOM 0 HE1 HIS A 92 21.242 1.864 7.534 1.00 0.00 H new