USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 833 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 Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= -0.014 (180deg=-0.145) USER MOD Single : A 39 THR OG1 : rot 98:sc= 1.23 USER MOD Single : A 42 SER OG : rot -81:sc= 1.95 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 46 SER OG : rot 180:sc= 0.00323 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -120:sc= -0.591 USER MOD Single : A 80 CYS SG : rot -110:sc= -2.95! USER MOD Single : B 31 SER OG : rot 11:sc= -0.254! USER MOD Single : B 35 SER OG : rot -8:sc= -0.466 USER MOD Single : B 38 LYS NZ :NH3+ 168:sc= 1.15 (180deg=0.51) USER MOD Single : B 40 THR OG1 : rot -48:sc= 1.27 USER MOD Single : B 41 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0455) USER MOD Single : B 43 LYS NZ :NH3+ -118:sc= 0.241 (180deg=-2.08) USER MOD Single : B 49 THR OG1 : rot 81:sc= 0.0251 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 57 TYR OH : rot -124:sc= 1.26 USER MOD Single : B 60 MET CE :methyl -168:sc= -2.59! (180deg=-2.96!) USER MOD Single : B 63 LYS NZ :NH3+ -166:sc= -0.0395 (180deg=-0.273) USER MOD Single : B 66 GLN :FLIP amide:sc= -0.498 F(o=-1.4!,f=-0.5) USER MOD Single : B 68 ASN : amide:sc= -1.2 K(o=-1.2,f=-7.1!) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N LYS A 34 -5.887 -13.151 3.009 1.00 0.00 N ATOM 106 CA LYS A 34 -5.028 -12.165 3.651 1.00 0.00 C ATOM 107 C LYS A 34 -5.888 -11.116 4.338 1.00 0.00 C ATOM 108 O LYS A 34 -7.119 -11.182 4.290 1.00 0.00 O ATOM 109 CB LYS A 34 -4.134 -11.472 2.622 1.00 0.00 C ATOM 110 CG LYS A 34 -3.236 -12.398 1.807 1.00 0.00 C ATOM 111 CD LYS A 34 -1.945 -12.767 2.535 1.00 0.00 C ATOM 112 CE LYS A 34 -2.156 -13.847 3.584 1.00 0.00 C ATOM 113 NZ LYS A 34 -0.873 -14.368 4.114 1.00 0.00 N1+ ATOM 0 HA LYS A 34 -4.400 -12.678 4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.767 -10.910 1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.506 -10.748 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.785 -13.309 1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.989 -11.916 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.208 -13.109 1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.534 -11.877 3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.750 -13.444 4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.728 -14.667 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.064 -15.102 4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.316 -14.777 3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.338 -13.592 4.552 1.00 0.00 H new ATOM 127 N LYS A 35 -5.247 -10.143 4.959 1.00 0.00 N ATOM 128 CA LYS A 35 -5.969 -9.041 5.561 1.00 0.00 C ATOM 129 C LYS A 35 -5.273 -7.716 5.271 1.00 0.00 C ATOM 130 O LYS A 35 -4.121 -7.496 5.651 1.00 0.00 O ATOM 131 CB LYS A 35 -6.148 -9.254 7.071 1.00 0.00 C ATOM 132 CG LYS A 35 -4.853 -9.495 7.832 1.00 0.00 C ATOM 133 CD LYS A 35 -5.116 -9.697 9.316 1.00 0.00 C ATOM 134 CE LYS A 35 -3.823 -9.894 10.094 1.00 0.00 C ATOM 135 NZ LYS A 35 -3.081 -11.102 9.649 1.00 0.00 N1+ ATOM 0 H LYS A 35 -4.233 -10.094 5.059 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.962 -9.005 5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.645 -8.380 7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.811 -10.104 7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.348 -10.372 7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.182 -8.647 7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.651 -8.834 9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.761 -10.564 9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.190 -9.015 9.972 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.049 -9.979 11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.291 -11.284 10.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.722 -11.921 9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.710 -10.948 8.690 1.00 0.00 H new ATOM 149 N PHE A 36 -5.974 -6.850 4.561 1.00 0.00 N ATOM 150 CA PHE A 36 -5.466 -5.527 4.240 1.00 0.00 C ATOM 151 C PHE A 36 -6.469 -4.493 4.715 1.00 0.00 C ATOM 152 O PHE A 36 -7.597 -4.469 4.234 1.00 0.00 O ATOM 153 CB PHE A 36 -5.262 -5.376 2.728 1.00 0.00 C ATOM 154 CG PHE A 36 -4.657 -6.581 2.062 1.00 0.00 C ATOM 155 CD1 PHE A 36 -3.320 -6.887 2.228 1.00 0.00 C ATOM 156 CD2 PHE A 36 -5.433 -7.402 1.260 1.00 0.00 C ATOM 157 CE1 PHE A 36 -2.767 -7.990 1.608 1.00 0.00 C ATOM 158 CE2 PHE A 36 -4.886 -8.507 0.639 1.00 0.00 C ATOM 159 CZ PHE A 36 -3.551 -8.800 0.811 1.00 0.00 C ATOM 0 H PHE A 36 -6.906 -7.042 4.192 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.505 -5.384 4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.224 -5.163 2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.621 -4.514 2.544 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.701 -6.257 2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.479 -7.175 1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.721 -8.219 1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.504 -9.141 0.020 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.119 -9.661 0.324 1.00 0.00 H new ATOM 169 N TRP A 37 -6.075 -3.645 5.647 1.00 0.00 N ATOM 170 CA TRP A 37 -7.010 -2.689 6.218 1.00 0.00 C ATOM 171 C TRP A 37 -6.883 -1.325 5.553 1.00 0.00 C ATOM 172 O TRP A 37 -5.946 -0.574 5.820 1.00 0.00 O ATOM 173 CB TRP A 37 -6.799 -2.569 7.727 1.00 0.00 C ATOM 174 CG TRP A 37 -7.231 -3.786 8.483 1.00 0.00 C ATOM 175 CD1 TRP A 37 -6.447 -4.827 8.890 1.00 0.00 C ATOM 176 CD2 TRP A 37 -8.561 -4.090 8.920 1.00 0.00 C ATOM 177 NE1 TRP A 37 -7.208 -5.759 9.553 1.00 0.00 N ATOM 178 CE2 TRP A 37 -8.509 -5.329 9.584 1.00 0.00 C ATOM 179 CE3 TRP A 37 -9.791 -3.432 8.814 1.00 0.00 C ATOM 180 CZ2 TRP A 37 -9.640 -5.922 10.140 1.00 0.00 C ATOM 181 CZ3 TRP A 37 -10.911 -4.023 9.364 1.00 0.00 C ATOM 182 CH2 TRP A 37 -10.829 -5.256 10.020 1.00 0.00 C ATOM 0 H TRP A 37 -5.128 -3.597 6.022 1.00 0.00 H new ATOM 0 HA TRP A 37 -8.019 -3.059 6.034 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.744 -2.382 7.926 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -7.351 -1.705 8.097 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -5.384 -4.906 8.716 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.861 -6.629 9.956 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -9.863 -2.479 8.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.580 -6.873 10.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -11.866 -3.525 9.287 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -11.723 -5.691 10.441 1.00 0.00 H new ATOM 193 N ALA A 38 -7.835 -1.021 4.686 1.00 0.00 N ATOM 194 CA ALA A 38 -7.881 0.263 4.005 1.00 0.00 C ATOM 195 C ALA A 38 -8.822 1.208 4.737 1.00 0.00 C ATOM 196 O ALA A 38 -9.995 0.891 4.936 1.00 0.00 O ATOM 197 CB ALA A 38 -8.341 0.079 2.566 1.00 0.00 C ATOM 0 H ALA A 38 -8.595 -1.654 4.435 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.880 0.694 4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.371 1.048 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.645 -0.577 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.336 -0.365 2.556 1.00 0.00 H new ATOM 203 N THR A 39 -8.309 2.352 5.154 1.00 0.00 N ATOM 204 CA THR A 39 -9.147 3.359 5.769 1.00 0.00 C ATOM 205 C THR A 39 -9.669 4.304 4.689 1.00 0.00 C ATOM 206 O THR A 39 -8.907 5.035 4.042 1.00 0.00 O ATOM 207 CB THR A 39 -8.414 4.126 6.905 1.00 0.00 C ATOM 208 OG1 THR A 39 -9.269 5.127 7.470 1.00 0.00 O ATOM 209 CG2 THR A 39 -7.127 4.773 6.426 1.00 0.00 C ATOM 0 H THR A 39 -7.323 2.603 5.078 1.00 0.00 H new ATOM 0 HA THR A 39 -9.991 2.863 6.247 1.00 0.00 H new ATOM 0 HB THR A 39 -8.157 3.389 7.666 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.686 4.779 8.286 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.652 5.296 7.256 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.452 4.005 6.048 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.351 5.483 5.630 1.00 0.00 H new ATOM 217 N VAL A 40 -10.971 4.232 4.458 1.00 0.00 N ATOM 218 CA VAL A 40 -11.604 4.982 3.392 1.00 0.00 C ATOM 219 C VAL A 40 -12.400 6.136 3.970 1.00 0.00 C ATOM 220 O VAL A 40 -13.113 5.975 4.961 1.00 0.00 O ATOM 221 CB VAL A 40 -12.550 4.097 2.554 1.00 0.00 C ATOM 222 CG1 VAL A 40 -12.645 4.616 1.131 1.00 0.00 C ATOM 223 CG2 VAL A 40 -12.103 2.646 2.573 1.00 0.00 C ATOM 0 H VAL A 40 -11.612 3.655 5.002 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.811 5.355 2.744 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.542 4.144 3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -13.317 3.979 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.031 5.635 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.656 4.607 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.788 2.046 1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.098 2.570 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.102 2.279 3.599 1.00 0.00 H new ATOM 233 N GLU A 41 -12.283 7.288 3.346 1.00 0.00 N ATOM 234 CA GLU A 41 -12.935 8.485 3.828 1.00 0.00 C ATOM 235 C GLU A 41 -14.030 8.922 2.868 1.00 0.00 C ATOM 236 O GLU A 41 -13.772 9.196 1.692 1.00 0.00 O ATOM 237 CB GLU A 41 -11.902 9.599 3.983 1.00 0.00 C ATOM 238 CG GLU A 41 -12.465 10.887 4.548 1.00 0.00 C ATOM 239 CD GLU A 41 -11.457 12.015 4.513 1.00 0.00 C ATOM 240 OE1 GLU A 41 -11.179 12.534 3.407 1.00 0.00 O ATOM 241 OE2 GLU A 41 -10.936 12.390 5.584 1.00 0.00 O1- ATOM 0 H GLU A 41 -11.736 7.421 2.495 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.391 8.273 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.100 9.249 4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.456 9.805 3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.350 11.175 3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.786 10.721 5.576 1.00 0.00 H new ATOM 248 N SER A 42 -15.253 8.969 3.365 1.00 0.00 N ATOM 249 CA SER A 42 -16.358 9.509 2.600 1.00 0.00 C ATOM 250 C SER A 42 -16.386 11.025 2.766 1.00 0.00 C ATOM 251 O SER A 42 -15.421 11.612 3.261 1.00 0.00 O ATOM 252 CB SER A 42 -17.679 8.889 3.068 1.00 0.00 C ATOM 253 OG SER A 42 -17.869 9.085 4.461 1.00 0.00 O ATOM 0 H SER A 42 -15.504 8.639 4.297 1.00 0.00 H new ATOM 0 HA SER A 42 -16.227 9.267 1.545 1.00 0.00 H new ATOM 0 HB2 SER A 42 -18.508 9.334 2.518 1.00 0.00 H new ATOM 0 HB3 SER A 42 -17.684 7.822 2.843 1.00 0.00 H new ATOM 0 HG SER A 42 -17.353 8.417 4.959 1.00 0.00 H new ATOM 259 N SER A 43 -17.473 11.660 2.376 1.00 0.00 N ATOM 260 CA SER A 43 -17.619 13.089 2.591 1.00 0.00 C ATOM 261 C SER A 43 -17.985 13.378 4.047 1.00 0.00 C ATOM 262 O SER A 43 -18.107 14.535 4.451 1.00 0.00 O ATOM 263 CB SER A 43 -18.673 13.653 1.641 1.00 0.00 C ATOM 264 OG SER A 43 -18.320 13.381 0.294 1.00 0.00 O ATOM 0 H SER A 43 -18.264 11.215 1.911 1.00 0.00 H new ATOM 0 HA SER A 43 -16.667 13.577 2.382 1.00 0.00 H new ATOM 0 HB2 SER A 43 -19.645 13.214 1.865 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.767 14.729 1.789 1.00 0.00 H new ATOM 0 HG SER A 43 -19.005 13.747 -0.304 1.00 0.00 H new ATOM 270 N GLU A 44 -18.139 12.318 4.837 1.00 0.00 N ATOM 271 CA GLU A 44 -18.537 12.456 6.230 1.00 0.00 C ATOM 272 C GLU A 44 -17.621 11.671 7.165 1.00 0.00 C ATOM 273 O GLU A 44 -16.950 12.244 8.022 1.00 0.00 O ATOM 274 CB GLU A 44 -19.971 11.966 6.412 1.00 0.00 C ATOM 275 CG GLU A 44 -20.993 12.737 5.597 1.00 0.00 C ATOM 276 CD GLU A 44 -22.380 12.165 5.749 1.00 0.00 C ATOM 277 OE1 GLU A 44 -23.082 12.551 6.703 1.00 0.00 O ATOM 278 OE2 GLU A 44 -22.776 11.312 4.924 1.00 0.00 O1- ATOM 0 H GLU A 44 -17.993 11.355 4.533 1.00 0.00 H new ATOM 0 HA GLU A 44 -18.462 13.513 6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.022 10.912 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -20.236 12.034 7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -20.994 13.781 5.910 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -20.706 12.720 4.545 1.00 0.00 H new ATOM 285 N HIS A 45 -17.584 10.359 6.986 1.00 0.00 N ATOM 286 CA HIS A 45 -16.948 9.473 7.953 1.00 0.00 C ATOM 287 C HIS A 45 -15.898 8.578 7.295 1.00 0.00 C ATOM 288 O HIS A 45 -16.116 8.041 6.207 1.00 0.00 O ATOM 289 CB HIS A 45 -18.031 8.623 8.632 1.00 0.00 C ATOM 290 CG HIS A 45 -17.519 7.598 9.601 1.00 0.00 C ATOM 291 ND1 HIS A 45 -17.619 6.242 9.378 1.00 0.00 N ATOM 292 CD2 HIS A 45 -16.924 7.734 10.808 1.00 0.00 C ATOM 293 CE1 HIS A 45 -17.107 5.589 10.403 1.00 0.00 C ATOM 294 NE2 HIS A 45 -16.677 6.471 11.285 1.00 0.00 N ATOM 0 H HIS A 45 -17.987 9.883 6.179 1.00 0.00 H new ATOM 0 HA HIS A 45 -16.429 10.079 8.696 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -18.716 9.288 9.158 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -18.609 8.115 7.860 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -16.687 8.664 11.304 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -17.049 4.515 10.503 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -16.233 6.250 12.176 1.00 0.00 H new ATOM 303 N SER A 46 -14.757 8.434 7.957 1.00 0.00 N ATOM 304 CA SER A 46 -13.719 7.522 7.509 1.00 0.00 C ATOM 305 C SER A 46 -13.813 6.205 8.280 1.00 0.00 C ATOM 306 O SER A 46 -14.092 6.200 9.483 1.00 0.00 O ATOM 307 CB SER A 46 -12.340 8.162 7.693 1.00 0.00 C ATOM 308 OG SER A 46 -12.187 8.685 9.003 1.00 0.00 O ATOM 0 H SER A 46 -14.529 8.942 8.811 1.00 0.00 H new ATOM 0 HA SER A 46 -13.860 7.312 6.449 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.564 7.421 7.502 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.206 8.960 6.962 1.00 0.00 H new ATOM 0 HG SER A 46 -11.297 9.086 9.093 1.00 0.00 H new ATOM 314 N PHE A 47 -13.598 5.093 7.593 1.00 0.00 N ATOM 315 CA PHE A 47 -13.711 3.779 8.213 1.00 0.00 C ATOM 316 C PHE A 47 -12.659 2.824 7.673 1.00 0.00 C ATOM 317 O PHE A 47 -12.160 3.000 6.564 1.00 0.00 O ATOM 318 CB PHE A 47 -15.111 3.198 7.985 1.00 0.00 C ATOM 319 CG PHE A 47 -15.575 3.245 6.552 1.00 0.00 C ATOM 320 CD1 PHE A 47 -15.086 2.352 5.607 1.00 0.00 C ATOM 321 CD2 PHE A 47 -16.515 4.182 6.155 1.00 0.00 C ATOM 322 CE1 PHE A 47 -15.525 2.399 4.298 1.00 0.00 C ATOM 323 CE2 PHE A 47 -16.955 4.233 4.849 1.00 0.00 C ATOM 324 CZ PHE A 47 -16.460 3.340 3.919 1.00 0.00 C ATOM 0 H PHE A 47 -13.344 5.073 6.605 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.546 3.901 9.283 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.122 2.162 8.325 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.823 3.744 8.604 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.355 1.613 5.899 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -16.908 4.882 6.878 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -15.137 1.700 3.572 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -17.686 4.971 4.554 1.00 0.00 H new ATOM 0 HZ PHE A 47 -16.804 3.378 2.896 1.00 0.00 H new ATOM 334 N GLU A 48 -12.329 1.812 8.461 1.00 0.00 N ATOM 335 CA GLU A 48 -11.362 0.809 8.047 1.00 0.00 C ATOM 336 C GLU A 48 -12.079 -0.423 7.515 1.00 0.00 C ATOM 337 O GLU A 48 -12.845 -1.075 8.233 1.00 0.00 O ATOM 338 CB GLU A 48 -10.438 0.418 9.208 1.00 0.00 C ATOM 339 CG GLU A 48 -9.455 1.507 9.622 1.00 0.00 C ATOM 340 CD GLU A 48 -10.128 2.716 10.237 1.00 0.00 C ATOM 341 OE1 GLU A 48 -10.626 2.605 11.374 1.00 0.00 O ATOM 342 OE2 GLU A 48 -10.150 3.789 9.594 1.00 0.00 O1- ATOM 0 H GLU A 48 -12.718 1.664 9.392 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.749 1.238 7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.050 0.151 10.070 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.877 -0.473 8.926 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.744 1.093 10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.883 1.822 8.749 1.00 0.00 H new ATOM 349 N VAL A 49 -11.835 -0.731 6.254 1.00 0.00 N ATOM 350 CA VAL A 49 -12.439 -1.884 5.614 1.00 0.00 C ATOM 351 C VAL A 49 -11.352 -2.755 4.985 1.00 0.00 C ATOM 352 O VAL A 49 -10.420 -2.244 4.361 1.00 0.00 O ATOM 353 CB VAL A 49 -13.474 -1.453 4.544 1.00 0.00 C ATOM 354 CG1 VAL A 49 -12.824 -0.635 3.442 1.00 0.00 C ATOM 355 CG2 VAL A 49 -14.190 -2.661 3.961 1.00 0.00 C ATOM 0 H VAL A 49 -11.216 -0.192 5.648 1.00 0.00 H new ATOM 0 HA VAL A 49 -12.967 -2.462 6.373 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.212 -0.822 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.578 -0.349 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.376 0.262 3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.051 -1.230 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.911 -2.331 3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.462 -3.326 3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -14.711 -3.194 4.756 1.00 0.00 H new ATOM 365 N PRO A 50 -11.421 -4.078 5.190 1.00 0.00 N ATOM 366 CA PRO A 50 -10.475 -5.013 4.584 1.00 0.00 C ATOM 367 C PRO A 50 -10.597 -5.051 3.064 1.00 0.00 C ATOM 368 O PRO A 50 -11.680 -4.861 2.508 1.00 0.00 O ATOM 369 CB PRO A 50 -10.861 -6.375 5.178 1.00 0.00 C ATOM 370 CG PRO A 50 -11.705 -6.060 6.364 1.00 0.00 C ATOM 371 CD PRO A 50 -12.400 -4.771 6.043 1.00 0.00 C ATOM 0 HA PRO A 50 -9.444 -4.726 4.789 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.409 -6.979 4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.977 -6.944 5.464 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.426 -6.856 6.553 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.095 -5.962 7.262 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.343 -4.938 5.523 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.629 -4.200 6.943 1.00 0.00 H new ATOM 379 N ILE A 51 -9.479 -5.294 2.403 1.00 0.00 N ATOM 380 CA ILE A 51 -9.463 -5.470 0.963 1.00 0.00 C ATOM 381 C ILE A 51 -9.301 -6.947 0.666 1.00 0.00 C ATOM 382 O ILE A 51 -8.436 -7.608 1.239 1.00 0.00 O ATOM 383 CB ILE A 51 -8.306 -4.693 0.295 1.00 0.00 C ATOM 384 CG1 ILE A 51 -8.299 -3.232 0.749 1.00 0.00 C ATOM 385 CG2 ILE A 51 -8.415 -4.777 -1.222 1.00 0.00 C ATOM 386 CD1 ILE A 51 -9.570 -2.484 0.416 1.00 0.00 C ATOM 0 H ILE A 51 -8.564 -5.374 2.846 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.398 -5.082 0.560 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.366 -5.151 0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.139 -3.197 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.455 -2.721 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.593 -4.225 -1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.367 -5.821 -1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.363 -4.346 -1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.490 -1.456 0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.721 -2.487 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.416 -2.970 0.902 1.00 0.00 H new ATOM 398 N TYR A 52 -10.139 -7.473 -0.203 1.00 0.00 N ATOM 399 CA TYR A 52 -10.155 -8.902 -0.432 1.00 0.00 C ATOM 400 C TYR A 52 -9.517 -9.240 -1.771 1.00 0.00 C ATOM 401 O TYR A 52 -10.066 -8.938 -2.835 1.00 0.00 O ATOM 402 CB TYR A 52 -11.596 -9.409 -0.371 1.00 0.00 C ATOM 403 CG TYR A 52 -12.351 -8.916 0.845 1.00 0.00 C ATOM 404 CD1 TYR A 52 -12.336 -9.626 2.040 1.00 0.00 C ATOM 405 CD2 TYR A 52 -13.068 -7.727 0.800 1.00 0.00 C ATOM 406 CE1 TYR A 52 -13.015 -9.163 3.153 1.00 0.00 C ATOM 407 CE2 TYR A 52 -13.749 -7.260 1.905 1.00 0.00 C ATOM 408 CZ TYR A 52 -13.720 -7.980 3.078 1.00 0.00 C ATOM 409 OH TYR A 52 -14.395 -7.511 4.182 1.00 0.00 O ATOM 0 H TYR A 52 -10.810 -6.940 -0.756 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.572 -9.396 0.345 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -12.124 -9.093 -1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.591 -10.499 -0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -11.786 -10.553 2.101 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -13.093 -7.158 -0.117 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -12.993 -9.725 4.075 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -14.302 -6.334 1.850 1.00 0.00 H new ATOM 0 HH TYR A 52 -14.838 -6.666 3.960 1.00 0.00 H new ATOM 419 N ALA A 53 -8.349 -9.856 -1.702 1.00 0.00 N ATOM 420 CA ALA A 53 -7.630 -10.309 -2.879 1.00 0.00 C ATOM 421 C ALA A 53 -6.703 -11.447 -2.500 1.00 0.00 C ATOM 422 O ALA A 53 -6.519 -11.728 -1.314 1.00 0.00 O ATOM 423 CB ALA A 53 -6.847 -9.169 -3.510 1.00 0.00 C ATOM 0 H ALA A 53 -7.871 -10.057 -0.823 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.350 -10.664 -3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.317 -9.535 -4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.533 -8.375 -3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.128 -8.779 -2.790 1.00 0.00 H new ATOM 429 N GLU A 54 -6.109 -12.092 -3.487 1.00 0.00 N ATOM 430 CA GLU A 54 -5.192 -13.189 -3.224 1.00 0.00 C ATOM 431 C GLU A 54 -3.772 -12.673 -2.987 1.00 0.00 C ATOM 432 O GLU A 54 -3.085 -13.128 -2.072 1.00 0.00 O ATOM 433 CB GLU A 54 -5.213 -14.194 -4.375 1.00 0.00 C ATOM 434 CG GLU A 54 -6.572 -14.843 -4.572 1.00 0.00 C ATOM 435 CD GLU A 54 -6.585 -15.846 -5.703 1.00 0.00 C ATOM 436 OE1 GLU A 54 -6.717 -15.429 -6.871 1.00 0.00 O ATOM 437 OE2 GLU A 54 -6.474 -17.056 -5.432 1.00 0.00 O1- ATOM 0 H GLU A 54 -6.243 -11.877 -4.475 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.523 -13.695 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.921 -13.689 -5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.470 -14.969 -4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.869 -15.340 -3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.314 -14.069 -4.770 1.00 0.00 H new ATOM 444 N THR A 55 -3.345 -11.709 -3.798 1.00 0.00 N ATOM 445 CA THR A 55 -1.995 -11.169 -3.697 1.00 0.00 C ATOM 446 C THR A 55 -2.020 -9.647 -3.500 1.00 0.00 C ATOM 447 O THR A 55 -2.982 -8.990 -3.911 1.00 0.00 O ATOM 448 CB THR A 55 -1.176 -11.524 -4.960 1.00 0.00 C ATOM 449 OG1 THR A 55 -1.323 -12.921 -5.253 1.00 0.00 O ATOM 450 CG2 THR A 55 0.301 -11.206 -4.773 1.00 0.00 C ATOM 0 H THR A 55 -3.915 -11.287 -4.531 1.00 0.00 H new ATOM 0 HA THR A 55 -1.520 -11.619 -2.826 1.00 0.00 H new ATOM 0 HB THR A 55 -1.556 -10.923 -5.786 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.805 -13.143 -6.054 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.847 -11.468 -5.679 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.421 -10.142 -4.571 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.694 -11.781 -3.934 1.00 0.00 H new ATOM 458 N LEU A 56 -0.982 -9.097 -2.865 1.00 0.00 N ATOM 459 CA LEU A 56 -0.925 -7.665 -2.544 1.00 0.00 C ATOM 460 C LEU A 56 -1.222 -6.785 -3.757 1.00 0.00 C ATOM 461 O LEU A 56 -2.048 -5.874 -3.676 1.00 0.00 O ATOM 462 CB LEU A 56 0.450 -7.295 -1.981 1.00 0.00 C ATOM 463 CG LEU A 56 0.562 -7.266 -0.456 1.00 0.00 C ATOM 464 CD1 LEU A 56 -0.365 -6.211 0.125 1.00 0.00 C ATOM 465 CD2 LEU A 56 0.269 -8.637 0.138 1.00 0.00 C ATOM 0 H LEU A 56 -0.164 -9.624 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.696 -7.482 -1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.182 -8.005 -2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.726 -6.313 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 56 1.586 -7.002 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.273 -6.204 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.094 -5.232 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.395 -6.440 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.355 -8.589 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.742 -8.942 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.983 -9.362 -0.251 1.00 0.00 H new ATOM 477 N ASP A 57 -0.549 -7.073 -4.871 1.00 0.00 N ATOM 478 CA ASP A 57 -0.678 -6.280 -6.099 1.00 0.00 C ATOM 479 C ASP A 57 -2.134 -6.010 -6.460 1.00 0.00 C ATOM 480 O ASP A 57 -2.511 -4.871 -6.746 1.00 0.00 O ATOM 481 CB ASP A 57 0.008 -6.986 -7.271 1.00 0.00 C ATOM 482 CG ASP A 57 1.518 -6.869 -7.234 1.00 0.00 C ATOM 483 OD1 ASP A 57 2.054 -5.889 -7.792 1.00 0.00 O ATOM 484 OD2 ASP A 57 2.176 -7.763 -6.663 1.00 0.00 O1- ATOM 0 H ASP A 57 0.098 -7.857 -4.950 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.192 -5.324 -5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.269 -8.040 -7.265 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.360 -6.565 -8.207 1.00 0.00 H new ATOM 489 N GLU A 58 -2.948 -7.057 -6.435 1.00 0.00 N ATOM 490 CA GLU A 58 -4.352 -6.943 -6.796 1.00 0.00 C ATOM 491 C GLU A 58 -5.097 -6.104 -5.762 1.00 0.00 C ATOM 492 O GLU A 58 -5.879 -5.222 -6.111 1.00 0.00 O ATOM 493 CB GLU A 58 -4.984 -8.333 -6.902 1.00 0.00 C ATOM 494 CG GLU A 58 -6.314 -8.354 -7.639 1.00 0.00 C ATOM 495 CD GLU A 58 -6.183 -7.920 -9.085 1.00 0.00 C ATOM 496 OE1 GLU A 58 -5.158 -8.254 -9.721 1.00 0.00 O ATOM 497 OE2 GLU A 58 -7.105 -7.252 -9.599 1.00 0.00 O1- ATOM 0 H GLU A 58 -2.657 -7.997 -6.167 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.425 -6.449 -7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.288 -8.999 -7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.130 -8.732 -5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.731 -9.361 -7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.019 -7.698 -7.129 1.00 0.00 H new ATOM 504 N ALA A 59 -4.825 -6.372 -4.488 1.00 0.00 N ATOM 505 CA ALA A 59 -5.464 -5.651 -3.390 1.00 0.00 C ATOM 506 C ALA A 59 -5.164 -4.159 -3.467 1.00 0.00 C ATOM 507 O ALA A 59 -6.044 -3.325 -3.253 1.00 0.00 O ATOM 508 CB ALA A 59 -5.000 -6.207 -2.054 1.00 0.00 C ATOM 0 H ALA A 59 -4.162 -7.087 -4.189 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.542 -5.788 -3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.484 -5.660 -1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.264 -7.263 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.919 -6.097 -1.970 1.00 0.00 H new ATOM 514 N LEU A 60 -3.918 -3.841 -3.785 1.00 0.00 N ATOM 515 CA LEU A 60 -3.475 -2.459 -3.919 1.00 0.00 C ATOM 516 C LEU A 60 -4.270 -1.737 -5.004 1.00 0.00 C ATOM 517 O LEU A 60 -4.601 -0.559 -4.870 1.00 0.00 O ATOM 518 CB LEU A 60 -1.971 -2.432 -4.225 1.00 0.00 C ATOM 519 CG LEU A 60 -1.374 -1.065 -4.576 1.00 0.00 C ATOM 520 CD1 LEU A 60 -1.776 -0.013 -3.555 1.00 0.00 C ATOM 521 CD2 LEU A 60 0.141 -1.163 -4.650 1.00 0.00 C ATOM 0 H LEU A 60 -3.186 -4.531 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.653 -1.934 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.439 -2.826 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.778 -3.113 -5.054 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.765 -0.763 -5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.338 0.947 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.862 0.077 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.416 -0.307 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.557 -0.187 -4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.532 -1.488 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.422 -1.884 -5.417 1.00 0.00 H new ATOM 533 N GLU A 61 -4.587 -2.445 -6.072 1.00 0.00 N ATOM 534 CA GLU A 61 -5.382 -1.867 -7.139 1.00 0.00 C ATOM 535 C GLU A 61 -6.844 -1.758 -6.730 1.00 0.00 C ATOM 536 O GLU A 61 -7.471 -0.717 -6.929 1.00 0.00 O ATOM 537 CB GLU A 61 -5.262 -2.694 -8.413 1.00 0.00 C ATOM 538 CG GLU A 61 -3.868 -2.690 -9.013 1.00 0.00 C ATOM 539 CD GLU A 61 -3.844 -3.290 -10.401 1.00 0.00 C ATOM 540 OE1 GLU A 61 -3.699 -4.522 -10.521 1.00 0.00 O1- ATOM 541 OE2 GLU A 61 -3.986 -2.532 -11.382 1.00 0.00 O ATOM 0 H GLU A 61 -4.308 -3.414 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.998 -0.866 -7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.552 -3.722 -8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.967 -2.312 -9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.495 -1.667 -9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.193 -3.250 -8.365 1.00 0.00 H new ATOM 548 N LEU A 62 -7.372 -2.829 -6.146 1.00 0.00 N ATOM 549 CA LEU A 62 -8.783 -2.887 -5.776 1.00 0.00 C ATOM 550 C LEU A 62 -9.134 -1.850 -4.719 1.00 0.00 C ATOM 551 O LEU A 62 -10.202 -1.252 -4.777 1.00 0.00 O ATOM 552 CB LEU A 62 -9.158 -4.280 -5.268 1.00 0.00 C ATOM 553 CG LEU A 62 -8.940 -5.419 -6.263 1.00 0.00 C ATOM 554 CD1 LEU A 62 -9.380 -6.743 -5.662 1.00 0.00 C ATOM 555 CD2 LEU A 62 -9.684 -5.144 -7.561 1.00 0.00 C ATOM 0 H LEU A 62 -6.843 -3.671 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.355 -2.666 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.578 -4.489 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.208 -4.271 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.875 -5.482 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.217 -7.543 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.800 -6.944 -4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.439 -6.693 -5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.517 -5.966 -8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.751 -5.053 -7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.318 -4.216 -8.001 1.00 0.00 H new ATOM 567 N ALA A 63 -8.239 -1.635 -3.760 1.00 0.00 N ATOM 568 CA ALA A 63 -8.479 -0.662 -2.697 1.00 0.00 C ATOM 569 C ALA A 63 -8.934 0.675 -3.276 1.00 0.00 C ATOM 570 O ALA A 63 -9.882 1.286 -2.791 1.00 0.00 O ATOM 571 CB ALA A 63 -7.229 -0.480 -1.851 1.00 0.00 C ATOM 0 H ALA A 63 -7.343 -2.119 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.276 -1.044 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.425 0.248 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.951 -1.434 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.413 -0.124 -2.480 1.00 0.00 H new ATOM 577 N GLU A 64 -8.257 1.108 -4.326 1.00 0.00 N ATOM 578 CA GLU A 64 -8.640 2.316 -5.037 1.00 0.00 C ATOM 579 C GLU A 64 -9.777 2.030 -6.014 1.00 0.00 C ATOM 580 O GLU A 64 -10.899 2.498 -5.833 1.00 0.00 O ATOM 581 CB GLU A 64 -7.432 2.880 -5.796 1.00 0.00 C ATOM 582 CG GLU A 64 -7.765 4.049 -6.710 1.00 0.00 C ATOM 583 CD GLU A 64 -6.695 4.289 -7.755 1.00 0.00 C ATOM 584 OE1 GLU A 64 -6.647 3.524 -8.746 1.00 0.00 O ATOM 585 OE2 GLU A 64 -5.907 5.241 -7.608 1.00 0.00 O1- ATOM 0 H GLU A 64 -7.435 0.638 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.985 3.050 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.680 3.199 -5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.985 2.083 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.717 3.859 -7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.892 4.950 -6.111 1.00 0.00 H new ATOM 592 N TRP A 65 -9.478 1.210 -7.017 1.00 0.00 N ATOM 593 CA TRP A 65 -10.348 1.022 -8.177 1.00 0.00 C ATOM 594 C TRP A 65 -11.744 0.528 -7.805 1.00 0.00 C ATOM 595 O TRP A 65 -12.716 0.807 -8.507 1.00 0.00 O ATOM 596 CB TRP A 65 -9.706 0.035 -9.144 1.00 0.00 C ATOM 597 CG TRP A 65 -9.465 0.622 -10.495 1.00 0.00 C ATOM 598 CD1 TRP A 65 -8.394 1.371 -10.877 1.00 0.00 C ATOM 599 CD2 TRP A 65 -10.315 0.516 -11.638 1.00 0.00 C ATOM 600 NE1 TRP A 65 -8.519 1.734 -12.195 1.00 0.00 N ATOM 601 CE2 TRP A 65 -9.692 1.221 -12.686 1.00 0.00 C ATOM 602 CE3 TRP A 65 -11.540 -0.109 -11.878 1.00 0.00 C ATOM 603 CZ2 TRP A 65 -10.256 1.318 -13.956 1.00 0.00 C ATOM 604 CZ3 TRP A 65 -12.098 -0.012 -13.139 1.00 0.00 C ATOM 605 CH2 TRP A 65 -11.455 0.694 -14.163 1.00 0.00 C ATOM 0 H TRP A 65 -8.623 0.655 -7.050 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.466 2.000 -8.644 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -8.759 -0.310 -8.729 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -10.348 -0.840 -9.242 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.567 1.640 -10.237 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.849 2.294 -12.723 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -12.042 -0.657 -11.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.765 1.865 -14.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -13.046 -0.489 -13.338 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -11.916 0.747 -15.138 1.00 0.00 H new ATOM 616 N GLN A 66 -11.838 -0.225 -6.727 1.00 0.00 N ATOM 617 CA GLN A 66 -13.108 -0.787 -6.307 1.00 0.00 C ATOM 618 C GLN A 66 -13.909 0.213 -5.466 1.00 0.00 C ATOM 619 O GLN A 66 -15.140 0.229 -5.509 1.00 0.00 O ATOM 620 CB GLN A 66 -12.866 -2.086 -5.524 1.00 0.00 C ATOM 621 CG GLN A 66 -14.126 -2.755 -5.013 1.00 0.00 C ATOM 622 CD GLN A 66 -13.845 -4.097 -4.366 1.00 0.00 C ATOM 623 OE1 GLN A 66 -13.860 -5.133 -5.031 1.00 0.00 O ATOM 624 NE2 GLN A 66 -13.587 -4.089 -3.069 1.00 0.00 N ATOM 0 H GLN A 66 -11.050 -0.462 -6.125 1.00 0.00 H new ATOM 0 HA GLN A 66 -13.698 -1.011 -7.196 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.331 -2.787 -6.165 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.216 -1.869 -4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.614 -2.101 -4.290 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.823 -2.892 -5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.584 -3.208 -2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.390 -4.964 -2.583 1.00 0.00 H new ATOM 633 N TYR A 67 -13.210 1.048 -4.703 1.00 0.00 N ATOM 634 CA TYR A 67 -13.867 1.940 -3.750 1.00 0.00 C ATOM 635 C TYR A 67 -14.088 3.359 -4.278 1.00 0.00 C ATOM 636 O TYR A 67 -15.104 3.981 -3.961 1.00 0.00 O ATOM 637 CB TYR A 67 -13.095 1.972 -2.432 1.00 0.00 C ATOM 638 CG TYR A 67 -13.330 0.733 -1.596 1.00 0.00 C ATOM 639 CD1 TYR A 67 -14.577 0.488 -1.034 1.00 0.00 C ATOM 640 CD2 TYR A 67 -12.324 -0.199 -1.388 1.00 0.00 C ATOM 641 CE1 TYR A 67 -14.813 -0.648 -0.286 1.00 0.00 C ATOM 642 CE2 TYR A 67 -12.554 -1.342 -0.645 1.00 0.00 C ATOM 643 CZ TYR A 67 -13.800 -1.561 -0.096 1.00 0.00 C ATOM 644 OH TYR A 67 -14.038 -2.703 0.638 1.00 0.00 O ATOM 0 H TYR A 67 -12.193 1.127 -4.725 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.861 1.525 -3.585 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.030 2.070 -2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.391 2.853 -1.862 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -15.376 1.199 -1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.346 -0.029 -1.813 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.787 -0.820 0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -11.761 -2.060 -0.495 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.221 -3.243 0.677 1.00 0.00 H new ATOM 654 N VAL A 68 -13.161 3.872 -5.081 1.00 0.00 N ATOM 655 CA VAL A 68 -13.237 5.269 -5.516 1.00 0.00 C ATOM 656 C VAL A 68 -14.481 5.597 -6.367 1.00 0.00 C ATOM 657 O VAL A 68 -15.035 6.685 -6.212 1.00 0.00 O ATOM 658 CB VAL A 68 -11.951 5.760 -6.234 1.00 0.00 C ATOM 659 CG1 VAL A 68 -10.766 5.720 -5.281 1.00 0.00 C ATOM 660 CG2 VAL A 68 -11.650 4.961 -7.496 1.00 0.00 C ATOM 0 H VAL A 68 -12.359 3.354 -5.441 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.333 5.822 -4.582 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.127 6.790 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.871 6.067 -5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.965 6.366 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.612 4.698 -4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.741 5.344 -7.961 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.511 3.911 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.482 5.056 -8.194 1.00 0.00 H new ATOM 670 N PRO A 69 -14.979 4.698 -7.255 1.00 0.00 N ATOM 671 CA PRO A 69 -16.151 5.004 -8.083 1.00 0.00 C ATOM 672 C PRO A 69 -17.454 4.930 -7.292 1.00 0.00 C ATOM 673 O PRO A 69 -18.517 5.300 -7.791 1.00 0.00 O ATOM 674 CB PRO A 69 -16.131 3.926 -9.177 1.00 0.00 C ATOM 675 CG PRO A 69 -14.846 3.189 -8.996 1.00 0.00 C ATOM 676 CD PRO A 69 -14.482 3.349 -7.554 1.00 0.00 C ATOM 0 HA PRO A 69 -16.106 6.020 -8.475 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.984 3.255 -9.080 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -16.189 4.374 -10.169 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.959 2.137 -9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.068 3.595 -9.643 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.956 2.593 -6.928 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.407 3.267 -7.394 1.00 0.00 H new ATOM 684 N ALA A 70 -17.364 4.462 -6.055 1.00 0.00 N ATOM 685 CA ALA A 70 -18.536 4.328 -5.202 1.00 0.00 C ATOM 686 C ALA A 70 -18.736 5.575 -4.347 1.00 0.00 C ATOM 687 O ALA A 70 -19.614 5.618 -3.486 1.00 0.00 O ATOM 688 CB ALA A 70 -18.410 3.092 -4.325 1.00 0.00 C ATOM 0 H ALA A 70 -16.490 4.168 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 70 -19.412 4.216 -5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -19.293 3.003 -3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -18.325 2.206 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -17.522 3.179 -3.699 1.00 0.00 H new ATOM 694 N GLY A 71 -17.914 6.589 -4.588 1.00 0.00 N ATOM 695 CA GLY A 71 -18.037 7.835 -3.857 1.00 0.00 C ATOM 696 C GLY A 71 -17.218 7.841 -2.586 1.00 0.00 C ATOM 697 O GLY A 71 -17.523 8.570 -1.641 1.00 0.00 O ATOM 0 H GLY A 71 -17.163 6.570 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.719 8.660 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -19.085 8.007 -3.612 1.00 0.00 H new ATOM 701 N PHE A 72 -16.180 7.023 -2.559 1.00 0.00 N ATOM 702 CA PHE A 72 -15.297 6.948 -1.408 1.00 0.00 C ATOM 703 C PHE A 72 -13.867 7.262 -1.825 1.00 0.00 C ATOM 704 O PHE A 72 -13.471 6.984 -2.955 1.00 0.00 O ATOM 705 CB PHE A 72 -15.370 5.558 -0.768 1.00 0.00 C ATOM 706 CG PHE A 72 -16.708 5.237 -0.167 1.00 0.00 C ATOM 707 CD1 PHE A 72 -17.011 5.634 1.125 1.00 0.00 C ATOM 708 CD2 PHE A 72 -17.664 4.547 -0.893 1.00 0.00 C ATOM 709 CE1 PHE A 72 -18.245 5.346 1.681 1.00 0.00 C ATOM 710 CE2 PHE A 72 -18.897 4.255 -0.343 1.00 0.00 C ATOM 711 CZ PHE A 72 -19.188 4.656 0.946 1.00 0.00 C ATOM 0 H PHE A 72 -15.927 6.399 -3.325 1.00 0.00 H new ATOM 0 HA PHE A 72 -15.619 7.685 -0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -15.132 4.808 -1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -14.607 5.485 0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -16.277 6.174 1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -17.443 4.233 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.470 5.661 2.689 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -19.632 3.714 -0.920 1.00 0.00 H new ATOM 0 HZ PHE A 72 -20.152 4.430 1.378 1.00 0.00 H new ATOM 721 N GLU A 73 -13.104 7.859 -0.923 1.00 0.00 N ATOM 722 CA GLU A 73 -11.714 8.186 -1.199 1.00 0.00 C ATOM 723 C GLU A 73 -10.808 7.491 -0.192 1.00 0.00 C ATOM 724 O GLU A 73 -11.020 7.591 1.013 1.00 0.00 O ATOM 725 CB GLU A 73 -11.497 9.698 -1.128 1.00 0.00 C ATOM 726 CG GLU A 73 -10.100 10.128 -1.535 1.00 0.00 C ATOM 727 CD GLU A 73 -9.779 11.541 -1.101 1.00 0.00 C ATOM 728 OE1 GLU A 73 -10.047 12.488 -1.871 1.00 0.00 O ATOM 729 OE2 GLU A 73 -9.245 11.713 0.014 1.00 0.00 O1- ATOM 0 H GLU A 73 -13.424 8.127 0.008 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.469 7.842 -2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.223 10.192 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.691 10.038 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.372 9.444 -1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.001 10.053 -2.618 1.00 0.00 H new ATOM 736 N VAL A 74 -9.811 6.775 -0.686 1.00 0.00 N ATOM 737 CA VAL A 74 -8.874 6.080 0.186 1.00 0.00 C ATOM 738 C VAL A 74 -7.935 7.069 0.872 1.00 0.00 C ATOM 739 O VAL A 74 -7.345 7.936 0.227 1.00 0.00 O ATOM 740 CB VAL A 74 -8.046 5.026 -0.585 1.00 0.00 C ATOM 741 CG1 VAL A 74 -8.940 3.905 -1.089 1.00 0.00 C ATOM 742 CG2 VAL A 74 -7.299 5.665 -1.743 1.00 0.00 C ATOM 0 H VAL A 74 -9.629 6.659 -1.683 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.466 5.563 0.942 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.315 4.604 0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.338 3.174 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.427 3.420 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.697 4.316 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.724 4.903 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.013 6.120 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.623 6.431 -1.362 1.00 0.00 H new ATOM 752 N THR A 75 -7.813 6.945 2.182 1.00 0.00 N ATOM 753 CA THR A 75 -6.952 7.829 2.954 1.00 0.00 C ATOM 754 C THR A 75 -5.606 7.164 3.223 1.00 0.00 C ATOM 755 O THR A 75 -4.550 7.752 2.996 1.00 0.00 O ATOM 756 CB THR A 75 -7.618 8.211 4.290 1.00 0.00 C ATOM 757 OG1 THR A 75 -8.932 8.712 4.039 1.00 0.00 O ATOM 758 CG2 THR A 75 -6.808 9.264 5.028 1.00 0.00 C ATOM 0 H THR A 75 -8.299 6.240 2.736 1.00 0.00 H new ATOM 0 HA THR A 75 -6.791 8.735 2.370 1.00 0.00 H new ATOM 0 HB THR A 75 -7.669 7.319 4.914 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.001 9.631 4.371 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.304 9.513 5.966 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.811 8.876 5.236 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.728 10.159 4.412 1.00 0.00 H new ATOM 766 N ARG A 76 -5.649 5.923 3.677 1.00 0.00 N ATOM 767 CA ARG A 76 -4.447 5.153 3.974 1.00 0.00 C ATOM 768 C ARG A 76 -4.783 3.673 3.985 1.00 0.00 C ATOM 769 O ARG A 76 -5.953 3.304 4.030 1.00 0.00 O ATOM 770 CB ARG A 76 -3.856 5.569 5.328 1.00 0.00 C ATOM 771 CG ARG A 76 -2.808 6.666 5.235 1.00 0.00 C ATOM 772 CD ARG A 76 -2.321 7.090 6.609 1.00 0.00 C ATOM 773 NE ARG A 76 -1.688 5.993 7.337 1.00 0.00 N ATOM 774 CZ ARG A 76 -1.238 6.088 8.585 1.00 0.00 C ATOM 775 NH1 ARG A 76 -1.331 7.238 9.244 1.00 0.00 N1+ ATOM 776 NH2 ARG A 76 -0.687 5.029 9.169 1.00 0.00 N ATOM 0 H ARG A 76 -6.518 5.418 3.851 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.703 5.351 3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.664 5.907 5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.411 4.695 5.802 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.964 6.315 4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.227 7.527 4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.611 7.910 6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.162 7.470 7.189 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.585 5.098 6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.749 8.052 8.793 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.985 7.307 10.201 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.611 4.148 8.660 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.340 5.097 10.126 1.00 0.00 H new ATOM 790 N VAL A 77 -3.769 2.828 3.916 1.00 0.00 N ATOM 791 CA VAL A 77 -3.980 1.391 3.999 1.00 0.00 C ATOM 792 C VAL A 77 -2.911 0.759 4.874 1.00 0.00 C ATOM 793 O VAL A 77 -1.804 1.285 4.994 1.00 0.00 O ATOM 794 CB VAL A 77 -3.969 0.699 2.612 1.00 0.00 C ATOM 795 CG1 VAL A 77 -5.029 1.283 1.688 1.00 0.00 C ATOM 796 CG2 VAL A 77 -2.595 0.790 1.973 1.00 0.00 C ATOM 0 H VAL A 77 -2.795 3.109 3.803 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.969 1.246 4.433 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.208 -0.353 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.992 0.774 0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.015 1.147 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.840 2.347 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.613 0.297 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.322 1.837 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.862 0.301 2.615 1.00 0.00 H new ATOM 806 N ARG A 78 -3.257 -0.344 5.508 1.00 0.00 N ATOM 807 CA ARG A 78 -2.301 -1.105 6.293 1.00 0.00 C ATOM 808 C ARG A 78 -2.375 -2.575 5.908 1.00 0.00 C ATOM 809 O ARG A 78 -3.186 -3.333 6.449 1.00 0.00 O ATOM 810 CB ARG A 78 -2.562 -0.930 7.791 1.00 0.00 C ATOM 811 CG ARG A 78 -2.507 0.517 8.252 1.00 0.00 C ATOM 812 CD ARG A 78 -2.483 0.623 9.765 1.00 0.00 C ATOM 813 NE ARG A 78 -1.260 0.054 10.327 1.00 0.00 N ATOM 814 CZ ARG A 78 -0.632 0.544 11.391 1.00 0.00 C ATOM 815 NH1 ARG A 78 -1.110 1.614 12.012 1.00 0.00 N1+ ATOM 816 NH2 ARG A 78 0.477 -0.037 11.830 1.00 0.00 N ATOM 0 H ARG A 78 -4.198 -0.736 5.495 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.299 -0.731 6.082 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.542 -1.342 8.031 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.827 -1.509 8.350 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.620 0.997 7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.371 1.056 7.863 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.565 1.670 10.058 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.349 0.107 10.180 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.864 -0.770 9.875 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.961 2.063 11.673 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.626 1.988 12.828 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.846 -0.858 11.351 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.960 0.338 12.646 1.00 0.00 H new ATOM 830 N PRO A 79 -1.560 -2.987 4.932 1.00 0.00 N ATOM 831 CA PRO A 79 -1.497 -4.367 4.481 1.00 0.00 C ATOM 832 C PRO A 79 -0.565 -5.199 5.350 1.00 0.00 C ATOM 833 O PRO A 79 0.584 -4.817 5.588 1.00 0.00 O ATOM 834 CB PRO A 79 -0.940 -4.256 3.050 1.00 0.00 C ATOM 835 CG PRO A 79 -0.617 -2.807 2.829 1.00 0.00 C ATOM 836 CD PRO A 79 -0.629 -2.146 4.178 1.00 0.00 C ATOM 0 HA PRO A 79 -2.467 -4.862 4.531 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.050 -4.874 2.931 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -1.671 -4.606 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.358 -2.697 2.354 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.349 -2.345 2.166 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.362 -2.130 4.631 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.970 -1.112 4.121 1.00 0.00 H new ATOM 844 N CYS A 80 -1.057 -6.329 5.832 1.00 0.00 N ATOM 845 CA CYS A 80 -0.237 -7.224 6.631 1.00 0.00 C ATOM 846 C CYS A 80 0.634 -8.084 5.722 1.00 0.00 C ATOM 847 O CYS A 80 0.239 -9.173 5.303 1.00 0.00 O ATOM 848 CB CYS A 80 -1.122 -8.095 7.521 1.00 0.00 C ATOM 849 SG CYS A 80 -2.193 -7.151 8.631 1.00 0.00 S ATOM 0 H CYS A 80 -2.015 -6.647 5.685 1.00 0.00 H new ATOM 0 HA CYS A 80 0.416 -6.633 7.274 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.741 -8.733 6.890 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.488 -8.753 8.115 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.784 -7.297 9.856 1.00 0.00 H new ATOM 943 N ILE B 26 10.354 6.863 8.089 1.00 0.00 N ATOM 944 CA ILE B 26 10.512 7.189 6.679 1.00 0.00 C ATOM 945 C ILE B 26 11.504 6.218 6.041 1.00 0.00 C ATOM 946 O ILE B 26 12.662 6.558 5.788 1.00 0.00 O ATOM 947 CB ILE B 26 11.000 8.641 6.483 1.00 0.00 C ATOM 948 CG1 ILE B 26 10.215 9.598 7.389 1.00 0.00 C ATOM 949 CG2 ILE B 26 10.854 9.055 5.026 1.00 0.00 C ATOM 950 CD1 ILE B 26 8.712 9.527 7.203 1.00 0.00 C ATOM 0 HA ILE B 26 9.539 7.097 6.197 1.00 0.00 H new ATOM 0 HB ILE B 26 12.054 8.692 6.757 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.453 9.375 8.429 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.547 10.618 7.197 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.202 10.081 4.903 1.00 0.00 H new ATOM 0 HG22 ILE B 26 11.449 8.392 4.398 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.806 8.989 4.732 1.00 0.00 H new ATOM 0 HD11 ILE B 26 8.228 10.233 7.878 1.00 0.00 H new ATOM 0 HD12 ILE B 26 8.461 9.780 6.173 1.00 0.00 H new ATOM 0 HD13 ILE B 26 8.365 8.517 7.424 1.00 0.00 H new ATOM 962 N LEU B 27 11.046 4.996 5.806 1.00 0.00 N ATOM 963 CA LEU B 27 11.910 3.939 5.309 1.00 0.00 C ATOM 964 C LEU B 27 11.150 2.962 4.424 1.00 0.00 C ATOM 965 O LEU B 27 9.917 2.935 4.416 1.00 0.00 O ATOM 966 CB LEU B 27 12.558 3.195 6.486 1.00 0.00 C ATOM 967 CG LEU B 27 11.602 2.729 7.591 1.00 0.00 C ATOM 968 CD1 LEU B 27 10.904 1.429 7.216 1.00 0.00 C ATOM 969 CD2 LEU B 27 12.353 2.569 8.899 1.00 0.00 C ATOM 0 H LEU B 27 10.077 4.713 5.953 1.00 0.00 H new ATOM 0 HA LEU B 27 12.687 4.400 4.700 1.00 0.00 H new ATOM 0 HB2 LEU B 27 13.083 2.323 6.095 1.00 0.00 H new ATOM 0 HB3 LEU B 27 13.309 3.846 6.933 1.00 0.00 H new ATOM 0 HG LEU B 27 10.833 3.492 7.713 1.00 0.00 H new ATOM 0 HD11 LEU B 27 10.235 1.130 8.023 1.00 0.00 H new ATOM 0 HD12 LEU B 27 10.328 1.576 6.302 1.00 0.00 H new ATOM 0 HD13 LEU B 27 11.649 0.650 7.054 1.00 0.00 H new ATOM 0 HD21 LEU B 27 11.664 2.238 9.676 1.00 0.00 H new ATOM 0 HD22 LEU B 27 13.144 1.829 8.776 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.791 3.525 9.186 1.00 0.00 H new ATOM 981 N ALA B 28 11.905 2.166 3.681 1.00 0.00 N ATOM 982 CA ALA B 28 11.338 1.118 2.853 1.00 0.00 C ATOM 983 C ALA B 28 11.262 -0.176 3.650 1.00 0.00 C ATOM 984 O ALA B 28 12.223 -0.562 4.317 1.00 0.00 O ATOM 985 CB ALA B 28 12.180 0.927 1.600 1.00 0.00 C ATOM 0 H ALA B 28 12.922 2.230 3.637 1.00 0.00 H new ATOM 0 HA ALA B 28 10.331 1.404 2.548 1.00 0.00 H new ATOM 0 HB1 ALA B 28 11.745 0.138 0.986 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.204 1.857 1.032 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.195 0.649 1.883 1.00 0.00 H new ATOM 991 N GLU B 29 10.107 -0.830 3.586 1.00 0.00 N ATOM 992 CA GLU B 29 9.858 -2.050 4.348 1.00 0.00 C ATOM 993 C GLU B 29 10.776 -3.179 3.886 1.00 0.00 C ATOM 994 O GLU B 29 11.067 -4.105 4.639 1.00 0.00 O ATOM 995 CB GLU B 29 8.397 -2.473 4.188 1.00 0.00 C ATOM 996 CG GLU B 29 7.942 -3.516 5.197 1.00 0.00 C ATOM 997 CD GLU B 29 7.996 -3.006 6.623 1.00 0.00 C ATOM 998 OE1 GLU B 29 7.013 -2.380 7.074 1.00 0.00 O ATOM 999 OE2 GLU B 29 9.023 -3.230 7.299 1.00 0.00 O1- ATOM 0 H GLU B 29 9.321 -0.532 3.008 1.00 0.00 H new ATOM 0 HA GLU B 29 10.065 -1.846 5.398 1.00 0.00 H new ATOM 0 HB2 GLU B 29 7.762 -1.592 4.280 1.00 0.00 H new ATOM 0 HB3 GLU B 29 8.251 -2.867 3.182 1.00 0.00 H new ATOM 0 HG2 GLU B 29 6.923 -3.823 4.963 1.00 0.00 H new ATOM 0 HG3 GLU B 29 8.570 -4.402 5.107 1.00 0.00 H new ATOM 1006 N ILE B 30 11.219 -3.092 2.641 1.00 0.00 N ATOM 1007 CA ILE B 30 12.129 -4.073 2.067 1.00 0.00 C ATOM 1008 C ILE B 30 13.206 -3.366 1.256 1.00 0.00 C ATOM 1009 O ILE B 30 13.128 -2.159 1.030 1.00 0.00 O ATOM 1010 CB ILE B 30 11.394 -5.069 1.145 1.00 0.00 C ATOM 1011 CG1 ILE B 30 10.606 -4.313 0.074 1.00 0.00 C ATOM 1012 CG2 ILE B 30 10.477 -5.978 1.951 1.00 0.00 C ATOM 1013 CD1 ILE B 30 10.006 -5.209 -0.980 1.00 0.00 C ATOM 0 H ILE B 30 10.959 -2.342 2.001 1.00 0.00 H new ATOM 0 HA ILE B 30 12.572 -4.627 2.895 1.00 0.00 H new ATOM 0 HB ILE B 30 12.136 -5.696 0.651 1.00 0.00 H new ATOM 0 HG12 ILE B 30 9.808 -3.746 0.554 1.00 0.00 H new ATOM 0 HG13 ILE B 30 11.265 -3.590 -0.408 1.00 0.00 H new ATOM 0 HG21 ILE B 30 9.970 -6.671 1.280 1.00 0.00 H new ATOM 0 HG22 ILE B 30 11.067 -6.540 2.675 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.737 -5.375 2.476 1.00 0.00 H new ATOM 0 HD11 ILE B 30 9.462 -4.604 -1.705 1.00 0.00 H new ATOM 0 HD12 ILE B 30 10.800 -5.757 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE B 30 9.321 -5.915 -0.510 1.00 0.00 H new ATOM 1025 N SER B 31 14.208 -4.115 0.826 1.00 0.00 N ATOM 1026 CA SER B 31 15.251 -3.563 -0.017 1.00 0.00 C ATOM 1027 C SER B 31 14.891 -3.775 -1.478 1.00 0.00 C ATOM 1028 O SER B 31 14.186 -4.724 -1.828 1.00 0.00 O ATOM 1029 CB SER B 31 16.601 -4.218 0.286 1.00 0.00 C ATOM 1030 OG SER B 31 17.666 -3.576 -0.400 1.00 0.00 O ATOM 0 H SER B 31 14.320 -5.104 1.047 1.00 0.00 H new ATOM 0 HA SER B 31 15.335 -2.496 0.188 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.788 -4.185 1.359 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.567 -5.269 0.001 1.00 0.00 H new ATOM 0 HG SER B 31 17.346 -2.734 -0.786 1.00 0.00 H new ATOM 1036 N GLY B 32 15.365 -2.882 -2.317 1.00 0.00 N ATOM 1037 CA GLY B 32 15.131 -2.994 -3.736 1.00 0.00 C ATOM 1038 C GLY B 32 14.921 -1.649 -4.387 1.00 0.00 C ATOM 1039 O GLY B 32 15.309 -0.617 -3.837 1.00 0.00 O ATOM 0 H GLY B 32 15.916 -2.069 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY B 32 15.979 -3.494 -4.204 1.00 0.00 H new ATOM 0 HA3 GLY B 32 14.256 -3.620 -3.910 1.00 0.00 H new ATOM 1043 N ILE B 33 14.311 -1.659 -5.557 1.00 0.00 N ATOM 1044 CA ILE B 33 14.037 -0.435 -6.289 1.00 0.00 C ATOM 1045 C ILE B 33 12.617 0.036 -6.005 1.00 0.00 C ATOM 1046 O ILE B 33 11.651 -0.569 -6.469 1.00 0.00 O ATOM 1047 CB ILE B 33 14.200 -0.648 -7.810 1.00 0.00 C ATOM 1048 CG1 ILE B 33 15.598 -1.184 -8.137 1.00 0.00 C ATOM 1049 CG2 ILE B 33 13.932 0.644 -8.566 1.00 0.00 C ATOM 1050 CD1 ILE B 33 16.717 -0.200 -7.863 1.00 0.00 C ATOM 0 H ILE B 33 13.993 -2.508 -6.025 1.00 0.00 H new ATOM 0 HA ILE B 33 14.753 0.318 -5.959 1.00 0.00 H new ATOM 0 HB ILE B 33 13.467 -1.389 -8.129 1.00 0.00 H new ATOM 0 HG12 ILE B 33 15.774 -2.089 -7.555 1.00 0.00 H new ATOM 0 HG13 ILE B 33 15.629 -1.470 -9.188 1.00 0.00 H new ATOM 0 HG21 ILE B 33 14.052 0.471 -9.636 1.00 0.00 H new ATOM 0 HG22 ILE B 33 12.914 0.979 -8.365 1.00 0.00 H new ATOM 0 HG23 ILE B 33 14.637 1.409 -8.240 1.00 0.00 H new ATOM 0 HD11 ILE B 33 17.673 -0.656 -8.120 1.00 0.00 H new ATOM 0 HD12 ILE B 33 16.569 0.697 -8.465 1.00 0.00 H new ATOM 0 HD13 ILE B 33 16.715 0.068 -6.806 1.00 0.00 H new ATOM 1062 N VAL B 34 12.481 1.102 -5.237 1.00 0.00 N ATOM 1063 CA VAL B 34 11.167 1.645 -4.942 1.00 0.00 C ATOM 1064 C VAL B 34 10.643 2.412 -6.147 1.00 0.00 C ATOM 1065 O VAL B 34 11.359 3.212 -6.744 1.00 0.00 O ATOM 1066 CB VAL B 34 11.179 2.553 -3.689 1.00 0.00 C ATOM 1067 CG1 VAL B 34 12.181 3.684 -3.845 1.00 0.00 C ATOM 1068 CG2 VAL B 34 9.785 3.102 -3.403 1.00 0.00 C ATOM 0 H VAL B 34 13.258 1.606 -4.809 1.00 0.00 H new ATOM 0 HA VAL B 34 10.503 0.808 -4.725 1.00 0.00 H new ATOM 0 HB VAL B 34 11.487 1.945 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL B 34 12.169 4.307 -2.950 1.00 0.00 H new ATOM 0 HG12 VAL B 34 13.179 3.269 -3.985 1.00 0.00 H new ATOM 0 HG13 VAL B 34 11.915 4.289 -4.712 1.00 0.00 H new ATOM 0 HG21 VAL B 34 9.819 3.737 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL B 34 9.442 3.687 -4.257 1.00 0.00 H new ATOM 0 HG23 VAL B 34 9.097 2.275 -3.230 1.00 0.00 H new ATOM 1078 N SER B 35 9.412 2.132 -6.529 1.00 0.00 N ATOM 1079 CA SER B 35 8.802 2.805 -7.655 1.00 0.00 C ATOM 1080 C SER B 35 7.377 3.213 -7.313 1.00 0.00 C ATOM 1081 O SER B 35 6.789 2.693 -6.361 1.00 0.00 O ATOM 1082 CB SER B 35 8.838 1.902 -8.890 1.00 0.00 C ATOM 1083 OG SER B 35 8.361 0.598 -8.593 1.00 0.00 O ATOM 0 H SER B 35 8.815 1.441 -6.074 1.00 0.00 H new ATOM 0 HA SER B 35 9.367 3.710 -7.880 1.00 0.00 H new ATOM 0 HB2 SER B 35 8.231 2.341 -9.682 1.00 0.00 H new ATOM 0 HB3 SER B 35 9.859 1.840 -9.268 1.00 0.00 H new ATOM 0 HG SER B 35 8.227 0.511 -7.626 1.00 0.00 H new ATOM 1089 N PHE B 36 6.832 4.151 -8.069 1.00 0.00 N ATOM 1090 CA PHE B 36 5.487 4.633 -7.817 1.00 0.00 C ATOM 1091 C PHE B 36 4.605 4.402 -9.035 1.00 0.00 C ATOM 1092 O PHE B 36 5.003 4.680 -10.168 1.00 0.00 O ATOM 1093 CB PHE B 36 5.503 6.121 -7.454 1.00 0.00 C ATOM 1094 CG PHE B 36 6.399 6.462 -6.292 1.00 0.00 C ATOM 1095 CD1 PHE B 36 6.249 5.838 -5.061 1.00 0.00 C ATOM 1096 CD2 PHE B 36 7.399 7.409 -6.435 1.00 0.00 C ATOM 1097 CE1 PHE B 36 7.080 6.156 -4.005 1.00 0.00 C ATOM 1098 CE2 PHE B 36 8.230 7.729 -5.380 1.00 0.00 C ATOM 1099 CZ PHE B 36 8.071 7.101 -4.164 1.00 0.00 C ATOM 0 H PHE B 36 7.300 4.592 -8.861 1.00 0.00 H new ATOM 0 HA PHE B 36 5.078 4.076 -6.974 1.00 0.00 H new ATOM 0 HB2 PHE B 36 5.823 6.693 -8.325 1.00 0.00 H new ATOM 0 HB3 PHE B 36 4.487 6.438 -7.220 1.00 0.00 H new ATOM 0 HD1 PHE B 36 5.475 5.097 -4.928 1.00 0.00 H new ATOM 0 HD2 PHE B 36 7.531 7.904 -7.386 1.00 0.00 H new ATOM 0 HE1 PHE B 36 6.953 5.663 -3.052 1.00 0.00 H new ATOM 0 HE2 PHE B 36 9.004 8.471 -5.508 1.00 0.00 H new ATOM 0 HZ PHE B 36 8.721 7.348 -3.338 1.00 0.00 H new ATOM 1109 N GLY B 37 3.421 3.870 -8.794 1.00 0.00 N ATOM 1110 CA GLY B 37 2.465 3.654 -9.859 1.00 0.00 C ATOM 1111 C GLY B 37 1.328 4.651 -9.794 1.00 0.00 C ATOM 1112 O GLY B 37 1.485 5.722 -9.201 1.00 0.00 O ATOM 0 H GLY B 37 3.100 3.580 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY B 37 2.968 3.736 -10.823 1.00 0.00 H new ATOM 0 HA3 GLY B 37 2.067 2.642 -9.792 1.00 0.00 H new ATOM 1116 N LYS B 38 0.167 4.268 -10.334 1.00 0.00 N ATOM 1117 CA LYS B 38 -0.954 5.190 -10.502 1.00 0.00 C ATOM 1118 C LYS B 38 -1.315 5.878 -9.190 1.00 0.00 C ATOM 1119 O LYS B 38 -1.313 5.265 -8.119 1.00 0.00 O ATOM 1120 CB LYS B 38 -2.193 4.475 -11.085 1.00 0.00 C ATOM 1121 CG LYS B 38 -3.109 3.807 -10.064 1.00 0.00 C ATOM 1122 CD LYS B 38 -2.500 2.563 -9.446 1.00 0.00 C ATOM 1123 CE LYS B 38 -3.428 1.949 -8.407 1.00 0.00 C ATOM 1124 NZ LYS B 38 -4.781 1.667 -8.960 1.00 0.00 N1+ ATOM 0 H LYS B 38 -0.019 3.320 -10.663 1.00 0.00 H new ATOM 0 HA LYS B 38 -0.632 5.952 -11.211 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -2.777 5.201 -11.650 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -1.854 3.718 -11.793 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -3.345 4.520 -9.274 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -4.050 3.543 -10.546 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -2.291 1.832 -10.227 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -1.547 2.815 -8.981 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -2.990 1.024 -8.032 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -3.518 2.626 -7.557 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -5.312 1.071 -8.293 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -5.290 2.562 -9.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -4.688 1.170 -9.869 1.00 0.00 H new ATOM 1138 N GLU B 39 -1.598 7.161 -9.285 1.00 0.00 N ATOM 1139 CA GLU B 39 -1.948 7.953 -8.127 1.00 0.00 C ATOM 1140 C GLU B 39 -3.392 8.425 -8.259 1.00 0.00 C ATOM 1141 O GLU B 39 -3.759 9.001 -9.281 1.00 0.00 O ATOM 1142 CB GLU B 39 -1.007 9.155 -8.012 1.00 0.00 C ATOM 1143 CG GLU B 39 0.457 8.828 -8.267 1.00 0.00 C ATOM 1144 CD GLU B 39 1.336 10.062 -8.291 1.00 0.00 C ATOM 1145 OE1 GLU B 39 1.640 10.605 -7.209 1.00 0.00 O ATOM 1146 OE2 GLU B 39 1.733 10.495 -9.395 1.00 0.00 O1- ATOM 0 H GLU B 39 -1.592 7.681 -10.163 1.00 0.00 H new ATOM 0 HA GLU B 39 -1.848 7.347 -7.227 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.325 9.920 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.103 9.584 -7.014 1.00 0.00 H new ATOM 0 HG2 GLU B 39 0.813 8.148 -7.493 1.00 0.00 H new ATOM 0 HG3 GLU B 39 0.548 8.304 -9.218 1.00 0.00 H new ATOM 1153 N THR B 40 -4.213 8.152 -7.250 1.00 0.00 N ATOM 1154 CA THR B 40 -5.620 8.541 -7.276 1.00 0.00 C ATOM 1155 C THR B 40 -5.757 10.051 -7.484 1.00 0.00 C ATOM 1156 O THR B 40 -6.091 10.515 -8.576 1.00 0.00 O ATOM 1157 CB THR B 40 -6.317 8.130 -5.967 1.00 0.00 C ATOM 1158 OG1 THR B 40 -5.822 6.855 -5.540 1.00 0.00 O ATOM 1159 CG2 THR B 40 -7.825 8.053 -6.149 1.00 0.00 C ATOM 0 H THR B 40 -3.928 7.662 -6.402 1.00 0.00 H new ATOM 0 HA THR B 40 -6.099 8.026 -8.109 1.00 0.00 H new ATOM 0 HB THR B 40 -6.100 8.886 -5.212 1.00 0.00 H new ATOM 0 HG1 THR B 40 -5.827 6.232 -6.296 1.00 0.00 H new ATOM 0 HG21 THR B 40 -8.291 7.760 -5.208 1.00 0.00 H new ATOM 0 HG22 THR B 40 -8.205 9.028 -6.454 1.00 0.00 H new ATOM 0 HG23 THR B 40 -8.062 7.315 -6.916 1.00 0.00 H new ATOM 1167 N LYS B 41 -5.483 10.807 -6.433 1.00 0.00 N ATOM 1168 CA LYS B 41 -5.436 12.257 -6.515 1.00 0.00 C ATOM 1169 C LYS B 41 -4.298 12.761 -5.641 1.00 0.00 C ATOM 1170 O LYS B 41 -3.305 13.293 -6.134 1.00 0.00 O ATOM 1171 CB LYS B 41 -6.773 12.863 -6.076 1.00 0.00 C ATOM 1172 CG LYS B 41 -6.775 14.381 -6.017 1.00 0.00 C ATOM 1173 CD LYS B 41 -8.108 14.910 -5.517 1.00 0.00 C ATOM 1174 CE LYS B 41 -8.080 16.416 -5.324 1.00 0.00 C ATOM 1175 NZ LYS B 41 -7.842 17.143 -6.600 1.00 0.00 N1+ ATOM 0 H LYS B 41 -5.288 10.435 -5.504 1.00 0.00 H new ATOM 0 HA LYS B 41 -5.260 12.562 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -7.552 12.536 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -7.032 12.471 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -5.976 14.723 -5.360 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -6.569 14.786 -7.008 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -8.892 14.649 -6.228 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -8.360 14.427 -4.573 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -9.026 16.743 -4.893 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -7.298 16.674 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -7.932 18.166 -6.438 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -6.885 16.930 -6.948 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -8.542 16.841 -7.307 1.00 0.00 H new ATOM 1189 N GLY B 42 -4.440 12.556 -4.342 1.00 0.00 N ATOM 1190 CA GLY B 42 -3.361 12.826 -3.422 1.00 0.00 C ATOM 1191 C GLY B 42 -2.724 11.538 -2.949 1.00 0.00 C ATOM 1192 O GLY B 42 -2.027 11.504 -1.937 1.00 0.00 O ATOM 0 H GLY B 42 -5.293 12.204 -3.907 1.00 0.00 H new ATOM 0 HA2 GLY B 42 -2.611 13.451 -3.907 1.00 0.00 H new ATOM 0 HA3 GLY B 42 -3.738 13.386 -2.566 1.00 0.00 H new ATOM 1196 N LYS B 43 -2.983 10.468 -3.686 1.00 0.00 N ATOM 1197 CA LYS B 43 -2.433 9.163 -3.363 1.00 0.00 C ATOM 1198 C LYS B 43 -1.259 8.849 -4.271 1.00 0.00 C ATOM 1199 O LYS B 43 -0.916 9.648 -5.135 1.00 0.00 O ATOM 1200 CB LYS B 43 -3.499 8.080 -3.510 1.00 0.00 C ATOM 1201 CG LYS B 43 -3.667 7.224 -2.272 1.00 0.00 C ATOM 1202 CD LYS B 43 -4.112 8.050 -1.080 1.00 0.00 C ATOM 1203 CE LYS B 43 -4.335 7.178 0.136 1.00 0.00 C ATOM 1204 NZ LYS B 43 -3.068 6.598 0.654 1.00 0.00 N1+ ATOM 0 H LYS B 43 -3.575 10.480 -4.517 1.00 0.00 H new ATOM 0 HA LYS B 43 -2.091 9.183 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -4.453 8.551 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -3.240 7.439 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -4.400 6.441 -2.467 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -2.724 6.728 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -3.359 8.806 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -5.032 8.580 -1.325 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -4.810 7.767 0.921 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -5.023 6.372 -0.119 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -3.112 5.561 0.596 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -2.270 6.944 0.084 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -2.935 6.884 1.645 1.00 0.00 H new ATOM 1218 N ARG B 44 -0.632 7.704 -4.049 1.00 0.00 N ATOM 1219 CA ARG B 44 0.478 7.259 -4.872 1.00 0.00 C ATOM 1220 C ARG B 44 0.679 5.745 -4.705 1.00 0.00 C ATOM 1221 O ARG B 44 0.673 5.236 -3.581 1.00 0.00 O ATOM 1222 CB ARG B 44 1.736 8.045 -4.482 1.00 0.00 C ATOM 1223 CG ARG B 44 2.998 7.617 -5.209 1.00 0.00 C ATOM 1224 CD ARG B 44 4.094 8.659 -5.053 1.00 0.00 C ATOM 1225 NE ARG B 44 3.792 9.884 -5.796 1.00 0.00 N ATOM 1226 CZ ARG B 44 4.678 10.843 -6.053 1.00 0.00 C ATOM 1227 NH1 ARG B 44 5.923 10.746 -5.600 1.00 0.00 N1+ ATOM 1228 NH2 ARG B 44 4.312 11.902 -6.764 1.00 0.00 N ATOM 0 H ARG B 44 -0.878 7.061 -3.296 1.00 0.00 H new ATOM 0 HA ARG B 44 0.267 7.447 -5.925 1.00 0.00 H new ATOM 0 HB2 ARG B 44 1.562 9.103 -4.676 1.00 0.00 H new ATOM 0 HB3 ARG B 44 1.897 7.939 -3.409 1.00 0.00 H new ATOM 0 HG2 ARG B 44 3.342 6.660 -4.816 1.00 0.00 H new ATOM 0 HG3 ARG B 44 2.780 7.468 -6.267 1.00 0.00 H new ATOM 0 HD2 ARG B 44 4.221 8.897 -3.997 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.040 8.246 -5.403 1.00 0.00 H new ATOM 0 HE ARG B 44 2.840 10.011 -6.139 1.00 0.00 H new ATOM 0 HH11 ARG B 44 6.204 9.933 -5.052 1.00 0.00 H new ATOM 0 HH12 ARG B 44 6.598 11.484 -5.800 1.00 0.00 H new ATOM 0 HH21 ARG B 44 3.356 11.978 -7.110 1.00 0.00 H new ATOM 0 HH22 ARG B 44 4.987 12.640 -6.964 1.00 0.00 H new ATOM 1242 N ARG B 45 0.834 5.015 -5.807 1.00 0.00 N ATOM 1243 CA ARG B 45 0.994 3.564 -5.716 1.00 0.00 C ATOM 1244 C ARG B 45 2.420 3.210 -5.303 1.00 0.00 C ATOM 1245 O ARG B 45 3.349 3.322 -6.099 1.00 0.00 O ATOM 1246 CB ARG B 45 0.649 2.890 -7.048 1.00 0.00 C ATOM 1247 CG ARG B 45 0.629 1.368 -6.989 1.00 0.00 C ATOM 1248 CD ARG B 45 0.396 0.753 -8.363 1.00 0.00 C ATOM 1249 NE ARG B 45 0.227 -0.703 -8.307 1.00 0.00 N ATOM 1250 CZ ARG B 45 -0.104 -1.457 -9.361 1.00 0.00 C ATOM 1251 NH1 ARG B 45 -0.274 -0.903 -10.552 1.00 0.00 N1+ ATOM 1252 NH2 ARG B 45 -0.253 -2.766 -9.225 1.00 0.00 N ATOM 0 H ARG B 45 0.852 5.393 -6.754 1.00 0.00 H new ATOM 0 HA ARG B 45 0.305 3.196 -4.956 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -0.328 3.243 -7.379 1.00 0.00 H new ATOM 0 HB3 ARG B 45 1.373 3.204 -7.800 1.00 0.00 H new ATOM 0 HG2 ARG B 45 1.575 1.007 -6.585 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -0.155 1.041 -6.306 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -0.490 1.201 -8.812 1.00 0.00 H new ATOM 0 HD3 ARG B 45 1.238 0.993 -9.012 1.00 0.00 H new ATOM 0 HE ARG B 45 0.370 -1.168 -7.411 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -0.152 0.103 -10.669 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -0.526 -1.482 -11.353 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -0.115 -3.203 -8.314 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -0.506 -3.337 -10.032 1.00 0.00 H new ATOM 1266 N LEU B 46 2.584 2.791 -4.058 1.00 0.00 N ATOM 1267 CA LEU B 46 3.894 2.432 -3.534 1.00 0.00 C ATOM 1268 C LEU B 46 4.202 0.984 -3.888 1.00 0.00 C ATOM 1269 O LEU B 46 3.587 0.060 -3.356 1.00 0.00 O ATOM 1270 CB LEU B 46 3.917 2.635 -2.007 1.00 0.00 C ATOM 1271 CG LEU B 46 5.293 2.628 -1.312 1.00 0.00 C ATOM 1272 CD1 LEU B 46 5.928 1.247 -1.321 1.00 0.00 C ATOM 1273 CD2 LEU B 46 6.224 3.649 -1.945 1.00 0.00 C ATOM 0 H LEU B 46 1.822 2.691 -3.388 1.00 0.00 H new ATOM 0 HA LEU B 46 4.656 3.072 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU B 46 3.433 3.586 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU B 46 3.307 1.854 -1.554 1.00 0.00 H new ATOM 0 HG LEU B 46 5.129 2.905 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU B 46 6.896 1.288 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU B 46 5.279 0.545 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU B 46 6.065 0.916 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU B 46 7.189 3.626 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU B 46 6.363 3.410 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU B 46 5.789 4.644 -1.852 1.00 0.00 H new ATOM 1285 N VAL B 47 5.137 0.792 -4.802 1.00 0.00 N ATOM 1286 CA VAL B 47 5.556 -0.545 -5.187 1.00 0.00 C ATOM 1287 C VAL B 47 7.077 -0.667 -5.142 1.00 0.00 C ATOM 1288 O VAL B 47 7.789 -0.106 -5.980 1.00 0.00 O ATOM 1289 CB VAL B 47 5.028 -0.939 -6.592 1.00 0.00 C ATOM 1290 CG1 VAL B 47 3.542 -1.249 -6.537 1.00 0.00 C ATOM 1291 CG2 VAL B 47 5.283 0.160 -7.614 1.00 0.00 C ATOM 0 H VAL B 47 5.621 1.545 -5.292 1.00 0.00 H new ATOM 0 HA VAL B 47 5.122 -1.237 -4.466 1.00 0.00 H new ATOM 0 HB VAL B 47 5.572 -1.831 -6.904 1.00 0.00 H new ATOM 0 HG11 VAL B 47 3.190 -1.523 -7.532 1.00 0.00 H new ATOM 0 HG12 VAL B 47 3.368 -2.077 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL B 47 2.999 -0.370 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL B 47 4.900 -0.151 -8.586 1.00 0.00 H new ATOM 0 HG22 VAL B 47 4.777 1.073 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL B 47 6.354 0.346 -7.689 1.00 0.00 H new ATOM 1301 N ILE B 48 7.583 -1.373 -4.140 1.00 0.00 N ATOM 1302 CA ILE B 48 9.014 -1.597 -4.035 1.00 0.00 C ATOM 1303 C ILE B 48 9.380 -2.848 -4.810 1.00 0.00 C ATOM 1304 O ILE B 48 8.662 -3.846 -4.761 1.00 0.00 O ATOM 1305 CB ILE B 48 9.493 -1.737 -2.572 1.00 0.00 C ATOM 1306 CG1 ILE B 48 8.968 -0.574 -1.726 1.00 0.00 C ATOM 1307 CG2 ILE B 48 11.022 -1.787 -2.514 1.00 0.00 C ATOM 1308 CD1 ILE B 48 9.273 -0.711 -0.249 1.00 0.00 C ATOM 0 H ILE B 48 7.028 -1.796 -3.396 1.00 0.00 H new ATOM 0 HA ILE B 48 9.513 -0.722 -4.452 1.00 0.00 H new ATOM 0 HB ILE B 48 9.099 -2.669 -2.166 1.00 0.00 H new ATOM 0 HG12 ILE B 48 9.402 0.356 -2.093 1.00 0.00 H new ATOM 0 HG13 ILE B 48 7.889 -0.497 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.344 -1.886 -1.477 1.00 0.00 H new ATOM 0 HG22 ILE B 48 11.380 -2.642 -3.088 1.00 0.00 H new ATOM 0 HG23 ILE B 48 11.432 -0.869 -2.935 1.00 0.00 H new ATOM 0 HD11 ILE B 48 8.871 0.149 0.287 1.00 0.00 H new ATOM 0 HD12 ILE B 48 8.816 -1.623 0.134 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.352 -0.757 -0.103 1.00 0.00 H new ATOM 1320 N THR B 49 10.475 -2.781 -5.539 1.00 0.00 N ATOM 1321 CA THR B 49 10.911 -3.886 -6.372 1.00 0.00 C ATOM 1322 C THR B 49 12.098 -4.605 -5.730 1.00 0.00 C ATOM 1323 O THR B 49 13.248 -4.202 -5.915 1.00 0.00 O ATOM 1324 CB THR B 49 11.296 -3.379 -7.777 1.00 0.00 C ATOM 1325 OG1 THR B 49 10.223 -2.595 -8.314 1.00 0.00 O ATOM 1326 CG2 THR B 49 11.607 -4.532 -8.718 1.00 0.00 C ATOM 0 H THR B 49 11.086 -1.965 -5.572 1.00 0.00 H new ATOM 0 HA THR B 49 10.086 -4.592 -6.467 1.00 0.00 H new ATOM 0 HB THR B 49 12.194 -2.768 -7.683 1.00 0.00 H new ATOM 0 HG1 THR B 49 10.265 -1.688 -7.946 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.874 -4.139 -9.699 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.440 -5.112 -8.320 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.730 -5.173 -8.811 1.00 0.00 H new ATOM 1334 N PRO B 50 11.832 -5.666 -4.946 1.00 0.00 N ATOM 1335 CA PRO B 50 12.882 -6.432 -4.263 1.00 0.00 C ATOM 1336 C PRO B 50 13.841 -7.100 -5.245 1.00 0.00 C ATOM 1337 O PRO B 50 13.416 -7.776 -6.183 1.00 0.00 O ATOM 1338 CB PRO B 50 12.109 -7.486 -3.463 1.00 0.00 C ATOM 1339 CG PRO B 50 10.774 -7.573 -4.116 1.00 0.00 C ATOM 1340 CD PRO B 50 10.489 -6.203 -4.662 1.00 0.00 C ATOM 0 HA PRO B 50 13.509 -5.792 -3.642 1.00 0.00 H new ATOM 0 HB2 PRO B 50 12.620 -8.448 -3.483 1.00 0.00 H new ATOM 0 HB3 PRO B 50 12.017 -7.196 -2.416 1.00 0.00 H new ATOM 0 HG2 PRO B 50 10.777 -8.317 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO B 50 10.009 -7.875 -3.401 1.00 0.00 H new ATOM 0 HD2 PRO B 50 9.875 -6.248 -5.562 1.00 0.00 H new ATOM 0 HD3 PRO B 50 9.953 -5.586 -3.941 1.00 0.00 H new ATOM 1348 N VAL B 51 15.134 -6.900 -5.027 1.00 0.00 N ATOM 1349 CA VAL B 51 16.154 -7.428 -5.929 1.00 0.00 C ATOM 1350 C VAL B 51 17.080 -8.413 -5.218 1.00 0.00 C ATOM 1351 O VAL B 51 17.796 -9.180 -5.862 1.00 0.00 O ATOM 1352 CB VAL B 51 16.996 -6.294 -6.549 1.00 0.00 C ATOM 1353 CG1 VAL B 51 16.126 -5.373 -7.388 1.00 0.00 C ATOM 1354 CG2 VAL B 51 17.712 -5.508 -5.466 1.00 0.00 C ATOM 0 H VAL B 51 15.503 -6.376 -4.234 1.00 0.00 H new ATOM 0 HA VAL B 51 15.625 -7.955 -6.723 1.00 0.00 H new ATOM 0 HB VAL B 51 17.744 -6.744 -7.201 1.00 0.00 H new ATOM 0 HG11 VAL B 51 16.741 -4.581 -7.815 1.00 0.00 H new ATOM 0 HG12 VAL B 51 15.660 -5.944 -8.191 1.00 0.00 H new ATOM 0 HG13 VAL B 51 15.352 -4.932 -6.760 1.00 0.00 H new ATOM 0 HG21 VAL B 51 18.301 -4.712 -5.923 1.00 0.00 H new ATOM 0 HG22 VAL B 51 16.979 -5.073 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL B 51 18.372 -6.174 -4.909 1.00 0.00 H new ATOM 1364 N ASP B 52 17.066 -8.386 -3.891 1.00 0.00 N ATOM 1365 CA ASP B 52 17.895 -9.286 -3.092 1.00 0.00 C ATOM 1366 C ASP B 52 17.033 -10.332 -2.407 1.00 0.00 C ATOM 1367 O ASP B 52 17.381 -10.848 -1.342 1.00 0.00 O ATOM 1368 CB ASP B 52 18.704 -8.515 -2.041 1.00 0.00 C ATOM 1369 CG ASP B 52 19.955 -7.878 -2.611 1.00 0.00 C ATOM 1370 OD1 ASP B 52 20.843 -8.619 -3.082 1.00 0.00 O ATOM 1371 OD2 ASP B 52 20.076 -6.634 -2.569 1.00 0.00 O1- ATOM 0 H ASP B 52 16.488 -7.749 -3.342 1.00 0.00 H new ATOM 0 HA ASP B 52 18.593 -9.779 -3.769 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.075 -7.740 -1.602 1.00 0.00 H new ATOM 0 HB3 ASP B 52 18.983 -9.193 -1.235 1.00 0.00 H new ATOM 1376 N GLY B 53 15.902 -10.636 -3.019 1.00 0.00 N ATOM 1377 CA GLY B 53 14.998 -11.615 -2.465 1.00 0.00 C ATOM 1378 C GLY B 53 13.631 -11.529 -3.096 1.00 0.00 C ATOM 1379 O GLY B 53 13.350 -10.601 -3.857 1.00 0.00 O ATOM 0 H GLY B 53 15.593 -10.218 -3.897 1.00 0.00 H new ATOM 0 HA2 GLY B 53 15.406 -12.614 -2.615 1.00 0.00 H new ATOM 0 HA3 GLY B 53 14.913 -11.464 -1.389 1.00 0.00 H new ATOM 1383 N SER B 54 12.777 -12.489 -2.790 1.00 0.00 N ATOM 1384 CA SER B 54 11.432 -12.505 -3.331 1.00 0.00 C ATOM 1385 C SER B 54 10.424 -12.093 -2.267 1.00 0.00 C ATOM 1386 O SER B 54 9.403 -12.751 -2.075 1.00 0.00 O ATOM 1387 CB SER B 54 11.099 -13.884 -3.882 1.00 0.00 C ATOM 1388 OG SER B 54 12.023 -14.266 -4.888 1.00 0.00 O ATOM 0 H SER B 54 12.992 -13.269 -2.169 1.00 0.00 H new ATOM 0 HA SER B 54 11.378 -11.786 -4.148 1.00 0.00 H new ATOM 0 HB2 SER B 54 11.113 -14.615 -3.074 1.00 0.00 H new ATOM 0 HB3 SER B 54 10.089 -13.881 -4.293 1.00 0.00 H new ATOM 0 HG SER B 54 11.790 -15.156 -5.226 1.00 0.00 H new ATOM 1394 N ASP B 55 10.729 -11.008 -1.570 1.00 0.00 N ATOM 1395 CA ASP B 55 9.811 -10.438 -0.588 1.00 0.00 C ATOM 1396 C ASP B 55 9.165 -9.183 -1.149 1.00 0.00 C ATOM 1397 O ASP B 55 9.715 -8.101 -1.008 1.00 0.00 O ATOM 1398 CB ASP B 55 10.539 -10.077 0.713 1.00 0.00 C ATOM 1399 CG ASP B 55 10.874 -11.281 1.571 1.00 0.00 C ATOM 1400 OD1 ASP B 55 9.943 -11.937 2.080 1.00 0.00 O ATOM 1401 OD2 ASP B 55 12.075 -11.567 1.758 1.00 0.00 O1- ATOM 0 H ASP B 55 11.609 -10.501 -1.665 1.00 0.00 H new ATOM 0 HA ASP B 55 9.052 -11.190 -0.371 1.00 0.00 H new ATOM 0 HB2 ASP B 55 11.460 -9.546 0.470 1.00 0.00 H new ATOM 0 HB3 ASP B 55 9.918 -9.391 1.289 1.00 0.00 H new ATOM 1406 N PRO B 56 8.011 -9.306 -1.819 1.00 0.00 N ATOM 1407 CA PRO B 56 7.298 -8.157 -2.380 1.00 0.00 C ATOM 1408 C PRO B 56 6.653 -7.303 -1.295 1.00 0.00 C ATOM 1409 O PRO B 56 6.274 -7.810 -0.236 1.00 0.00 O ATOM 1410 CB PRO B 56 6.218 -8.794 -3.270 1.00 0.00 C ATOM 1411 CG PRO B 56 6.602 -10.228 -3.385 1.00 0.00 C ATOM 1412 CD PRO B 56 7.303 -10.557 -2.105 1.00 0.00 C ATOM 0 HA PRO B 56 7.967 -7.488 -2.921 1.00 0.00 H new ATOM 0 HB2 PRO B 56 5.228 -8.686 -2.826 1.00 0.00 H new ATOM 0 HB3 PRO B 56 6.182 -8.316 -4.249 1.00 0.00 H new ATOM 0 HG2 PRO B 56 5.725 -10.859 -3.526 1.00 0.00 H new ATOM 0 HG3 PRO B 56 7.254 -10.392 -4.243 1.00 0.00 H new ATOM 0 HD2 PRO B 56 6.603 -10.821 -1.312 1.00 0.00 H new ATOM 0 HD3 PRO B 56 7.988 -11.397 -2.218 1.00 0.00 H new ATOM 1420 N TYR B 57 6.522 -6.013 -1.557 1.00 0.00 N ATOM 1421 CA TYR B 57 5.851 -5.107 -0.635 1.00 0.00 C ATOM 1422 C TYR B 57 5.232 -3.957 -1.404 1.00 0.00 C ATOM 1423 O TYR B 57 5.936 -3.101 -1.951 1.00 0.00 O ATOM 1424 CB TYR B 57 6.810 -4.567 0.427 1.00 0.00 C ATOM 1425 CG TYR B 57 6.124 -3.713 1.474 1.00 0.00 C ATOM 1426 CD1 TYR B 57 5.486 -4.298 2.559 1.00 0.00 C ATOM 1427 CD2 TYR B 57 6.110 -2.325 1.376 1.00 0.00 C ATOM 1428 CE1 TYR B 57 4.856 -3.528 3.519 1.00 0.00 C ATOM 1429 CE2 TYR B 57 5.484 -1.548 2.333 1.00 0.00 C ATOM 1430 CZ TYR B 57 4.858 -2.155 3.401 1.00 0.00 C ATOM 1431 OH TYR B 57 4.242 -1.387 4.365 1.00 0.00 O ATOM 0 H TYR B 57 6.873 -5.567 -2.404 1.00 0.00 H new ATOM 0 HA TYR B 57 5.071 -5.670 -0.123 1.00 0.00 H new ATOM 0 HB2 TYR B 57 7.306 -5.404 0.919 1.00 0.00 H new ATOM 0 HB3 TYR B 57 7.587 -3.978 -0.060 1.00 0.00 H new ATOM 0 HD1 TYR B 57 5.482 -5.374 2.655 1.00 0.00 H new ATOM 0 HD2 TYR B 57 6.596 -1.847 0.539 1.00 0.00 H new ATOM 0 HE1 TYR B 57 4.365 -4.000 4.357 1.00 0.00 H new ATOM 0 HE2 TYR B 57 5.485 -0.472 2.244 1.00 0.00 H new ATOM 0 HH TYR B 57 3.571 -0.810 3.944 1.00 0.00 H new ATOM 1441 N GLU B 58 3.914 -3.950 -1.449 1.00 0.00 N ATOM 1442 CA GLU B 58 3.176 -2.934 -2.167 1.00 0.00 C ATOM 1443 C GLU B 58 2.129 -2.318 -1.250 1.00 0.00 C ATOM 1444 O GLU B 58 1.467 -3.027 -0.492 1.00 0.00 O ATOM 1445 CB GLU B 58 2.503 -3.537 -3.405 1.00 0.00 C ATOM 1446 CG GLU B 58 3.466 -4.128 -4.429 1.00 0.00 C ATOM 1447 CD GLU B 58 4.043 -5.474 -4.025 1.00 0.00 C ATOM 1448 OE1 GLU B 58 3.334 -6.266 -3.367 1.00 0.00 O ATOM 1449 OE2 GLU B 58 5.209 -5.748 -4.381 1.00 0.00 O1- ATOM 0 H GLU B 58 3.328 -4.647 -0.990 1.00 0.00 H new ATOM 0 HA GLU B 58 3.868 -2.158 -2.494 1.00 0.00 H new ATOM 0 HB2 GLU B 58 1.813 -4.317 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU B 58 1.907 -2.764 -3.891 1.00 0.00 H new ATOM 0 HG2 GLU B 58 2.947 -4.237 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.284 -3.427 -4.591 1.00 0.00 H new ATOM 1456 N GLU B 59 1.982 -1.002 -1.313 1.00 0.00 N ATOM 1457 CA GLU B 59 1.058 -0.301 -0.433 1.00 0.00 C ATOM 1458 C GLU B 59 0.489 0.941 -1.119 1.00 0.00 C ATOM 1459 O GLU B 59 1.037 1.426 -2.108 1.00 0.00 O ATOM 1460 CB GLU B 59 1.770 0.098 0.864 1.00 0.00 C ATOM 1461 CG GLU B 59 0.813 0.495 1.978 1.00 0.00 C ATOM 1462 CD GLU B 59 1.514 1.010 3.212 1.00 0.00 C ATOM 1463 OE1 GLU B 59 2.358 0.282 3.771 1.00 0.00 O ATOM 1464 OE2 GLU B 59 1.202 2.141 3.639 1.00 0.00 O1- ATOM 0 H GLU B 59 2.489 -0.400 -1.962 1.00 0.00 H new ATOM 0 HA GLU B 59 0.232 -0.973 -0.198 1.00 0.00 H new ATOM 0 HB2 GLU B 59 2.386 -0.735 1.203 1.00 0.00 H new ATOM 0 HB3 GLU B 59 2.444 0.930 0.659 1.00 0.00 H new ATOM 0 HG2 GLU B 59 0.134 1.263 1.608 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.203 -0.367 2.248 1.00 0.00 H new ATOM 1471 N MET B 60 -0.619 1.440 -0.594 1.00 0.00 N ATOM 1472 CA MET B 60 -1.257 2.641 -1.118 1.00 0.00 C ATOM 1473 C MET B 60 -0.822 3.857 -0.306 1.00 0.00 C ATOM 1474 O MET B 60 -1.555 4.342 0.562 1.00 0.00 O ATOM 1475 CB MET B 60 -2.782 2.484 -1.076 1.00 0.00 C ATOM 1476 CG MET B 60 -3.551 3.693 -1.586 1.00 0.00 C ATOM 1477 SD MET B 60 -4.030 3.522 -3.308 1.00 0.00 S ATOM 1478 CE MET B 60 -5.154 2.139 -3.154 1.00 0.00 C ATOM 0 H MET B 60 -1.101 1.027 0.204 1.00 0.00 H new ATOM 0 HA MET B 60 -0.951 2.787 -2.154 1.00 0.00 H new ATOM 0 HB2 MET B 60 -3.062 1.613 -1.669 1.00 0.00 H new ATOM 0 HB3 MET B 60 -3.086 2.281 -0.049 1.00 0.00 H new ATOM 0 HG2 MET B 60 -4.443 3.837 -0.976 1.00 0.00 H new ATOM 0 HG3 MET B 60 -2.937 4.586 -1.469 1.00 0.00 H new ATOM 0 HE1 MET B 60 -5.390 1.750 -4.144 1.00 0.00 H new ATOM 0 HE2 MET B 60 -4.687 1.355 -2.558 1.00 0.00 H new ATOM 0 HE3 MET B 60 -6.071 2.468 -2.665 1.00 0.00 H new ATOM 1488 N ILE B 61 0.371 4.349 -0.596 1.00 0.00 N ATOM 1489 CA ILE B 61 0.948 5.460 0.145 1.00 0.00 C ATOM 1490 C ILE B 61 0.416 6.784 -0.385 1.00 0.00 C ATOM 1491 O ILE B 61 0.349 6.995 -1.587 1.00 0.00 O ATOM 1492 CB ILE B 61 2.495 5.444 0.059 1.00 0.00 C ATOM 1493 CG1 ILE B 61 3.070 4.300 0.899 1.00 0.00 C ATOM 1494 CG2 ILE B 61 3.090 6.773 0.502 1.00 0.00 C ATOM 1495 CD1 ILE B 61 2.848 4.460 2.388 1.00 0.00 C ATOM 0 H ILE B 61 0.964 3.993 -1.346 1.00 0.00 H new ATOM 0 HA ILE B 61 0.659 5.350 1.190 1.00 0.00 H new ATOM 0 HB ILE B 61 2.766 5.285 -0.985 1.00 0.00 H new ATOM 0 HG12 ILE B 61 2.621 3.362 0.573 1.00 0.00 H new ATOM 0 HG13 ILE B 61 4.140 4.224 0.707 1.00 0.00 H new ATOM 0 HG21 ILE B 61 4.177 6.727 0.429 1.00 0.00 H new ATOM 0 HG22 ILE B 61 2.717 7.571 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE B 61 2.804 6.974 1.534 1.00 0.00 H new ATOM 0 HD11 ILE B 61 3.284 3.611 2.914 1.00 0.00 H new ATOM 0 HD12 ILE B 61 3.322 5.380 2.730 1.00 0.00 H new ATOM 0 HD13 ILE B 61 1.779 4.505 2.594 1.00 0.00 H new ATOM 1507 N PRO B 62 -0.011 7.682 0.501 1.00 0.00 N ATOM 1508 CA PRO B 62 -0.465 9.003 0.095 1.00 0.00 C ATOM 1509 C PRO B 62 0.701 9.930 -0.212 1.00 0.00 C ATOM 1510 O PRO B 62 1.785 9.789 0.346 1.00 0.00 O ATOM 1511 CB PRO B 62 -1.238 9.486 1.315 1.00 0.00 C ATOM 1512 CG PRO B 62 -0.590 8.809 2.474 1.00 0.00 C ATOM 1513 CD PRO B 62 -0.078 7.489 1.964 1.00 0.00 C ATOM 0 HA PRO B 62 -1.059 8.984 -0.819 1.00 0.00 H new ATOM 0 HB2 PRO B 62 -1.186 10.570 1.412 1.00 0.00 H new ATOM 0 HB3 PRO B 62 -2.293 9.223 1.243 1.00 0.00 H new ATOM 0 HG2 PRO B 62 0.225 9.414 2.871 1.00 0.00 H new ATOM 0 HG3 PRO B 62 -1.303 8.662 3.286 1.00 0.00 H new ATOM 0 HD2 PRO B 62 0.900 7.250 2.382 1.00 0.00 H new ATOM 0 HD3 PRO B 62 -0.747 6.670 2.230 1.00 0.00 H new ATOM 1521 N LYS B 63 0.462 10.886 -1.092 1.00 0.00 N ATOM 1522 CA LYS B 63 1.502 11.796 -1.543 1.00 0.00 C ATOM 1523 C LYS B 63 1.839 12.802 -0.442 1.00 0.00 C ATOM 1524 O LYS B 63 2.822 13.537 -0.529 1.00 0.00 O ATOM 1525 CB LYS B 63 1.036 12.512 -2.812 1.00 0.00 C ATOM 1526 CG LYS B 63 2.067 12.530 -3.935 1.00 0.00 C ATOM 1527 CD LYS B 63 3.269 13.403 -3.602 1.00 0.00 C ATOM 1528 CE LYS B 63 2.891 14.874 -3.528 1.00 0.00 C ATOM 1529 NZ LYS B 63 2.405 15.398 -4.834 1.00 0.00 N1+ ATOM 0 H LYS B 63 -0.452 11.054 -1.512 1.00 0.00 H new ATOM 0 HA LYS B 63 2.406 11.231 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS B 63 0.128 12.030 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS B 63 0.772 13.539 -2.560 1.00 0.00 H new ATOM 0 HG2 LYS B 63 2.404 11.512 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS B 63 1.599 12.894 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS B 63 3.695 13.088 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS B 63 4.041 13.263 -4.358 1.00 0.00 H new ATOM 0 HE2 LYS B 63 2.117 15.010 -2.773 1.00 0.00 H new ATOM 0 HE3 LYS B 63 3.756 15.454 -3.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 2.385 16.437 -4.805 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 3.043 15.085 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 1.446 15.039 -5.017 1.00 0.00 H new ATOM 1543 N TRP B 64 1.018 12.818 0.601 1.00 0.00 N ATOM 1544 CA TRP B 64 1.264 13.679 1.755 1.00 0.00 C ATOM 1545 C TRP B 64 2.165 12.962 2.758 1.00 0.00 C ATOM 1546 O TRP B 64 2.622 13.552 3.739 1.00 0.00 O ATOM 1547 CB TRP B 64 -0.044 14.123 2.434 1.00 0.00 C ATOM 1548 CG TRP B 64 -1.297 13.535 1.846 1.00 0.00 C ATOM 1549 CD1 TRP B 64 -1.849 13.825 0.632 1.00 0.00 C ATOM 1550 CD2 TRP B 64 -2.167 12.579 2.464 1.00 0.00 C ATOM 1551 NE1 TRP B 64 -2.998 13.096 0.451 1.00 0.00 N ATOM 1552 CE2 TRP B 64 -3.216 12.324 1.560 1.00 0.00 C ATOM 1553 CE3 TRP B 64 -2.159 11.906 3.691 1.00 0.00 C ATOM 1554 CZ2 TRP B 64 -4.245 11.429 1.846 1.00 0.00 C ATOM 1555 CZ3 TRP B 64 -3.180 11.020 3.972 1.00 0.00 C ATOM 1556 CH2 TRP B 64 -4.210 10.787 3.053 1.00 0.00 C ATOM 0 H TRP B 64 0.177 12.246 0.673 1.00 0.00 H new ATOM 0 HA TRP B 64 1.764 14.578 1.396 1.00 0.00 H new ATOM 0 HB2 TRP B 64 0.004 13.856 3.490 1.00 0.00 H new ATOM 0 HB3 TRP B 64 -0.112 15.210 2.382 1.00 0.00 H new ATOM 0 HD1 TRP B 64 -1.441 14.526 -0.082 1.00 0.00 H new ATOM 0 HE1 TRP B 64 -3.593 13.125 -0.377 1.00 0.00 H new ATOM 0 HE3 TRP B 64 -1.368 12.077 4.406 1.00 0.00 H new ATOM 0 HZ2 TRP B 64 -5.042 11.249 1.140 1.00 0.00 H new ATOM 0 HZ3 TRP B 64 -3.184 10.498 4.917 1.00 0.00 H new ATOM 0 HH2 TRP B 64 -4.993 10.086 3.302 1.00 0.00 H new ATOM 1567 N ARG B 65 2.411 11.685 2.500 1.00 0.00 N ATOM 1568 CA ARG B 65 3.348 10.902 3.290 1.00 0.00 C ATOM 1569 C ARG B 65 4.768 11.221 2.855 1.00 0.00 C ATOM 1570 O ARG B 65 5.050 11.325 1.659 1.00 0.00 O ATOM 1571 CB ARG B 65 3.066 9.402 3.115 1.00 0.00 C ATOM 1572 CG ARG B 65 4.170 8.487 3.634 1.00 0.00 C ATOM 1573 CD ARG B 65 4.246 8.489 5.153 1.00 0.00 C ATOM 1574 NE ARG B 65 3.082 7.848 5.761 1.00 0.00 N ATOM 1575 CZ ARG B 65 2.872 7.768 7.075 1.00 0.00 C ATOM 1576 NH1 ARG B 65 3.712 8.345 7.927 1.00 0.00 N1+ ATOM 1577 NH2 ARG B 65 1.809 7.123 7.536 1.00 0.00 N ATOM 0 H ARG B 65 1.969 11.166 1.741 1.00 0.00 H new ATOM 0 HA ARG B 65 3.229 11.156 4.343 1.00 0.00 H new ATOM 0 HB2 ARG B 65 2.137 9.157 3.629 1.00 0.00 H new ATOM 0 HB3 ARG B 65 2.908 9.196 2.056 1.00 0.00 H new ATOM 0 HG2 ARG B 65 3.994 7.471 3.281 1.00 0.00 H new ATOM 0 HG3 ARG B 65 5.128 8.806 3.223 1.00 0.00 H new ATOM 0 HD2 ARG B 65 5.152 7.972 5.471 1.00 0.00 H new ATOM 0 HD3 ARG B 65 4.322 9.516 5.511 1.00 0.00 H new ATOM 0 HE ARG B 65 2.386 7.435 5.140 1.00 0.00 H new ATOM 0 HH11 ARG B 65 4.524 8.853 7.577 1.00 0.00 H new ATOM 0 HH12 ARG B 65 3.545 8.280 8.931 1.00 0.00 H new ATOM 0 HH21 ARG B 65 1.154 6.689 6.886 1.00 0.00 H new ATOM 0 HH22 ARG B 65 1.647 7.061 8.541 1.00 0.00 H new ATOM 1591 N GLN B 66 5.648 11.401 3.823 1.00 0.00 N ATOM 1592 CA GLN B 66 7.049 11.608 3.531 1.00 0.00 C ATOM 1593 C GLN B 66 7.655 10.316 3.002 1.00 0.00 C ATOM 1594 O GLN B 66 7.820 9.342 3.738 1.00 0.00 O ATOM 1595 CB GLN B 66 7.792 12.098 4.773 1.00 0.00 C ATOM 1596 CG GLN B 66 9.277 12.314 4.547 1.00 0.00 C ATOM 1597 CD GLN B 66 9.965 12.964 5.731 1.00 0.00 C ATOM 1598 OE1 GLN B 66 9.239 13.791 6.468 1.00 0.00 O flip ATOM 1599 NE2 GLN B 66 11.145 12.725 5.980 1.00 0.00 N flip ATOM 0 H GLN B 66 5.415 11.408 4.816 1.00 0.00 H new ATOM 0 HA GLN B 66 7.146 12.378 2.766 1.00 0.00 H new ATOM 0 HB2 GLN B 66 7.344 13.033 5.108 1.00 0.00 H new ATOM 0 HB3 GLN B 66 7.657 11.374 5.576 1.00 0.00 H new ATOM 0 HG2 GLN B 66 9.751 11.355 4.339 1.00 0.00 H new ATOM 0 HG3 GLN B 66 9.418 12.937 3.664 1.00 0.00 H new ATOM 0 HE21 GLN B 66 11.671 12.082 5.388 1.00 0.00 H new ATOM 0 HE22 GLN B 66 11.598 13.170 6.778 1.00 0.00 H new ATOM 1608 N LEU B 67 7.946 10.312 1.712 1.00 0.00 N ATOM 1609 CA LEU B 67 8.458 9.133 1.036 1.00 0.00 C ATOM 1610 C LEU B 67 9.939 8.937 1.317 1.00 0.00 C ATOM 1611 O LEU B 67 10.632 9.870 1.728 1.00 0.00 O ATOM 1612 CB LEU B 67 8.216 9.260 -0.468 1.00 0.00 C ATOM 1613 CG LEU B 67 6.743 9.285 -0.878 1.00 0.00 C ATOM 1614 CD1 LEU B 67 6.594 9.787 -2.304 1.00 0.00 C ATOM 1615 CD2 LEU B 67 6.140 7.898 -0.744 1.00 0.00 C ATOM 0 H LEU B 67 7.834 11.124 1.105 1.00 0.00 H new ATOM 0 HA LEU B 67 7.929 8.259 1.417 1.00 0.00 H new ATOM 0 HB2 LEU B 67 8.694 10.173 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU B 67 8.706 8.427 -0.973 1.00 0.00 H new ATOM 0 HG LEU B 67 6.210 9.967 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU B 67 5.539 9.798 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.998 10.796 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU B 67 7.138 9.128 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU B 67 5.091 7.927 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU B 67 6.679 7.203 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU B 67 6.217 7.566 0.291 1.00 0.00 H new ATOM 1627 N ASN B 68 10.424 7.730 1.074 1.00 0.00 N ATOM 1628 CA ASN B 68 11.814 7.401 1.342 1.00 0.00 C ATOM 1629 C ASN B 68 12.719 8.042 0.298 1.00 0.00 C ATOM 1630 O ASN B 68 13.778 8.577 0.622 1.00 0.00 O ATOM 1631 CB ASN B 68 12.021 5.875 1.375 1.00 0.00 C ATOM 1632 CG ASN B 68 11.587 5.172 0.097 1.00 0.00 C ATOM 1633 OD1 ASN B 68 10.635 5.579 -0.566 1.00 0.00 O ATOM 1634 ND2 ASN B 68 12.289 4.108 -0.257 1.00 0.00 N ATOM 0 H ASN B 68 9.874 6.961 0.691 1.00 0.00 H new ATOM 0 HA ASN B 68 12.077 7.798 2.322 1.00 0.00 H new ATOM 0 HB2 ASN B 68 13.075 5.664 1.556 1.00 0.00 H new ATOM 0 HB3 ASN B 68 11.464 5.460 2.215 1.00 0.00 H new ATOM 0 HD21 ASN B 68 12.046 3.596 -1.105 1.00 0.00 H new ATOM 0 HD22 ASN B 68 13.073 3.800 0.318 1.00 0.00 H new ATOM 1641 N VAL B 69 12.285 7.997 -0.950 1.00 0.00 N ATOM 1642 CA VAL B 69 13.060 8.533 -2.054 1.00 0.00 C ATOM 1643 C VAL B 69 12.177 8.553 -3.307 1.00 0.00 C ATOM 1644 O VAL B 69 10.994 8.219 -3.227 1.00 0.00 O ATOM 1645 CB VAL B 69 14.347 7.693 -2.265 1.00 0.00 C ATOM 1646 CG1 VAL B 69 14.005 6.316 -2.797 1.00 0.00 C ATOM 1647 CG2 VAL B 69 15.359 8.397 -3.161 1.00 0.00 C ATOM 0 H VAL B 69 11.391 7.590 -1.225 1.00 0.00 H new ATOM 0 HA VAL B 69 13.378 9.552 -1.835 1.00 0.00 H new ATOM 0 HB VAL B 69 14.822 7.578 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.921 5.743 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL B 69 13.360 5.801 -2.085 1.00 0.00 H new ATOM 0 HG13 VAL B 69 13.487 6.413 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL B 69 16.242 7.768 -3.277 1.00 0.00 H new ATOM 0 HG22 VAL B 69 14.913 8.581 -4.139 1.00 0.00 H new ATOM 0 HG23 VAL B 69 15.647 9.346 -2.709 1.00 0.00 H new ATOM 1657 N PHE B 70 12.728 8.950 -4.442 1.00 0.00 N ATOM 1658 CA PHE B 70 11.973 8.995 -5.687 1.00 0.00 C ATOM 1659 C PHE B 70 11.817 7.587 -6.261 1.00 0.00 C ATOM 1660 O PHE B 70 12.386 6.628 -5.739 1.00 0.00 O ATOM 1661 CB PHE B 70 12.689 9.902 -6.690 1.00 0.00 C ATOM 1662 CG PHE B 70 13.042 11.246 -6.120 1.00 0.00 C ATOM 1663 CD1 PHE B 70 12.095 12.252 -6.042 1.00 0.00 C ATOM 1664 CD2 PHE B 70 14.321 11.498 -5.653 1.00 0.00 C ATOM 1665 CE1 PHE B 70 12.416 13.485 -5.507 1.00 0.00 C ATOM 1666 CE2 PHE B 70 14.650 12.729 -5.119 1.00 0.00 C ATOM 1667 CZ PHE B 70 13.695 13.723 -5.046 1.00 0.00 C ATOM 0 H PHE B 70 13.700 9.247 -4.529 1.00 0.00 H new ATOM 0 HA PHE B 70 10.980 9.399 -5.489 1.00 0.00 H new ATOM 0 HB2 PHE B 70 13.599 9.409 -7.032 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.053 10.040 -7.564 1.00 0.00 H new ATOM 0 HD1 PHE B 70 11.093 12.071 -6.403 1.00 0.00 H new ATOM 0 HD2 PHE B 70 15.071 10.723 -5.707 1.00 0.00 H new ATOM 0 HE1 PHE B 70 11.667 14.261 -5.450 1.00 0.00 H new ATOM 0 HE2 PHE B 70 15.652 12.913 -4.760 1.00 0.00 H new ATOM 0 HZ PHE B 70 13.948 14.686 -4.628 1.00 0.00 H new ATOM 1677 N GLU B 71 11.031 7.459 -7.320 1.00 0.00 N ATOM 1678 CA GLU B 71 10.790 6.155 -7.922 1.00 0.00 C ATOM 1679 C GLU B 71 11.935 5.747 -8.840 1.00 0.00 C ATOM 1680 O GLU B 71 12.592 6.593 -9.447 1.00 0.00 O ATOM 1681 CB GLU B 71 9.471 6.145 -8.686 1.00 0.00 C ATOM 1682 CG GLU B 71 9.411 7.132 -9.837 1.00 0.00 C ATOM 1683 CD GLU B 71 8.090 7.074 -10.566 1.00 0.00 C ATOM 1684 OE1 GLU B 71 7.845 6.075 -11.268 1.00 0.00 O ATOM 1685 OE2 GLU B 71 7.291 8.023 -10.434 1.00 0.00 O1- ATOM 0 H GLU B 71 10.552 8.235 -7.777 1.00 0.00 H new ATOM 0 HA GLU B 71 10.729 5.427 -7.113 1.00 0.00 H new ATOM 0 HB2 GLU B 71 9.296 5.141 -9.073 1.00 0.00 H new ATOM 0 HB3 GLU B 71 8.660 6.364 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.571 8.141 -9.457 1.00 0.00 H new ATOM 0 HG3 GLU B 71 10.220 6.922 -10.536 1.00 0.00 H new ATOM 1692 N GLY B 72 12.169 4.444 -8.927 1.00 0.00 N ATOM 1693 CA GLY B 72 13.253 3.924 -9.734 1.00 0.00 C ATOM 1694 C GLY B 72 14.579 4.083 -9.028 1.00 0.00 C ATOM 1695 O GLY B 72 15.640 4.030 -9.647 1.00 0.00 O ATOM 0 H GLY B 72 11.620 3.732 -8.446 1.00 0.00 H new ATOM 0 HA2 GLY B 72 13.077 2.870 -9.951 1.00 0.00 H new ATOM 0 HA3 GLY B 72 13.282 4.446 -10.691 1.00 0.00 H new ATOM 1699 N GLU B 73 14.503 4.273 -7.721 1.00 0.00 N ATOM 1700 CA GLU B 73 15.677 4.481 -6.896 1.00 0.00 C ATOM 1701 C GLU B 73 15.932 3.252 -6.034 1.00 0.00 C ATOM 1702 O GLU B 73 14.993 2.588 -5.588 1.00 0.00 O ATOM 1703 CB GLU B 73 15.471 5.709 -6.012 1.00 0.00 C ATOM 1704 CG GLU B 73 15.346 7.017 -6.783 1.00 0.00 C ATOM 1705 CD GLU B 73 16.619 7.411 -7.496 1.00 0.00 C ATOM 1706 OE1 GLU B 73 17.578 7.836 -6.820 1.00 0.00 O ATOM 1707 OE2 GLU B 73 16.663 7.326 -8.739 1.00 0.00 O1- ATOM 0 H GLU B 73 13.624 4.287 -7.204 1.00 0.00 H new ATOM 0 HA GLU B 73 16.543 4.644 -7.538 1.00 0.00 H new ATOM 0 HB2 GLU B 73 14.572 5.565 -5.413 1.00 0.00 H new ATOM 0 HB3 GLU B 73 16.307 5.788 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU B 73 14.542 6.926 -7.513 1.00 0.00 H new ATOM 0 HG3 GLU B 73 15.062 7.812 -6.094 1.00 0.00 H new ATOM 1714 N ARG B 74 17.198 2.948 -5.806 1.00 0.00 N ATOM 1715 CA ARG B 74 17.570 1.784 -5.017 1.00 0.00 C ATOM 1716 C ARG B 74 17.651 2.130 -3.537 1.00 0.00 C ATOM 1717 O ARG B 74 18.331 3.077 -3.144 1.00 0.00 O ATOM 1718 CB ARG B 74 18.910 1.213 -5.492 1.00 0.00 C ATOM 1719 CG ARG B 74 19.449 0.105 -4.599 1.00 0.00 C ATOM 1720 CD ARG B 74 18.603 -1.153 -4.702 1.00 0.00 C ATOM 1721 NE ARG B 74 18.795 -2.048 -3.562 1.00 0.00 N ATOM 1722 CZ ARG B 74 19.430 -3.217 -3.631 1.00 0.00 C ATOM 1723 NH1 ARG B 74 20.100 -3.552 -4.728 1.00 0.00 N1+ ATOM 1724 NH2 ARG B 74 19.420 -4.038 -2.591 1.00 0.00 N ATOM 0 H ARG B 74 17.987 3.491 -6.156 1.00 0.00 H new ATOM 0 HA ARG B 74 16.796 1.029 -5.155 1.00 0.00 H new ATOM 0 HB2 ARG B 74 18.793 0.828 -6.505 1.00 0.00 H new ATOM 0 HB3 ARG B 74 19.643 2.019 -5.540 1.00 0.00 H new ATOM 0 HG2 ARG B 74 20.477 -0.123 -4.880 1.00 0.00 H new ATOM 0 HG3 ARG B 74 19.470 0.447 -3.564 1.00 0.00 H new ATOM 0 HD2 ARG B 74 17.551 -0.876 -4.770 1.00 0.00 H new ATOM 0 HD3 ARG B 74 18.853 -1.682 -5.622 1.00 0.00 H new ATOM 0 HE ARG B 74 18.420 -1.760 -2.658 1.00 0.00 H new ATOM 0 HH11 ARG B 74 20.130 -2.913 -5.522 1.00 0.00 H new ATOM 0 HH12 ARG B 74 20.585 -4.448 -4.776 1.00 0.00 H new ATOM 0 HH21 ARG B 74 18.926 -3.775 -1.738 1.00 0.00 H new ATOM 0 HH22 ARG B 74 19.906 -4.933 -2.643 1.00 0.00 H new ATOM 1738 N VAL B 75 16.947 1.357 -2.731 1.00 0.00 N ATOM 1739 CA VAL B 75 16.975 1.510 -1.285 1.00 0.00 C ATOM 1740 C VAL B 75 17.138 0.151 -0.622 1.00 0.00 C ATOM 1741 O VAL B 75 17.162 -0.880 -1.302 1.00 0.00 O ATOM 1742 CB VAL B 75 15.685 2.172 -0.755 1.00 0.00 C ATOM 1743 CG1 VAL B 75 15.573 3.605 -1.244 1.00 0.00 C ATOM 1744 CG2 VAL B 75 14.460 1.369 -1.166 1.00 0.00 C ATOM 0 H VAL B 75 16.340 0.606 -3.058 1.00 0.00 H new ATOM 0 HA VAL B 75 17.820 2.154 -1.042 1.00 0.00 H new ATOM 0 HB VAL B 75 15.735 2.187 0.334 1.00 0.00 H new ATOM 0 HG11 VAL B 75 14.656 4.051 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL B 75 16.431 4.178 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL B 75 15.551 3.617 -2.334 1.00 0.00 H new ATOM 0 HG21 VAL B 75 13.562 1.853 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL B 75 14.407 1.317 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL B 75 14.532 0.361 -0.757 1.00 0.00 H new ATOM 1754 N GLU B 76 17.254 0.153 0.697 1.00 0.00 N ATOM 1755 CA GLU B 76 17.350 -1.080 1.460 1.00 0.00 C ATOM 1756 C GLU B 76 16.295 -1.083 2.560 1.00 0.00 C ATOM 1757 O GLU B 76 15.725 -0.041 2.887 1.00 0.00 O ATOM 1758 CB GLU B 76 18.748 -1.232 2.066 1.00 0.00 C ATOM 1759 CG GLU B 76 19.004 -2.613 2.654 1.00 0.00 C ATOM 1760 CD GLU B 76 20.362 -2.736 3.301 1.00 0.00 C ATOM 1761 OE1 GLU B 76 21.356 -2.926 2.569 1.00 0.00 O ATOM 1762 OE2 GLU B 76 20.441 -2.661 4.544 1.00 0.00 O1- ATOM 0 H GLU B 76 17.284 1.001 1.263 1.00 0.00 H new ATOM 0 HA GLU B 76 17.175 -1.923 0.792 1.00 0.00 H new ATOM 0 HB2 GLU B 76 19.493 -1.028 1.297 1.00 0.00 H new ATOM 0 HB3 GLU B 76 18.882 -0.482 2.846 1.00 0.00 H new ATOM 0 HG2 GLU B 76 18.234 -2.836 3.393 1.00 0.00 H new ATOM 0 HG3 GLU B 76 18.914 -3.360 1.865 1.00 0.00 H new ATOM 1769 N ARG B 77 16.036 -2.260 3.112 1.00 0.00 N ATOM 1770 CA ARG B 77 15.056 -2.422 4.170 1.00 0.00 C ATOM 1771 C ARG B 77 15.459 -1.621 5.402 1.00 0.00 C ATOM 1772 O ARG B 77 16.472 -1.912 6.041 1.00 0.00 O ATOM 1773 CB ARG B 77 14.922 -3.907 4.520 1.00 0.00 C ATOM 1774 CG ARG B 77 13.963 -4.195 5.666 1.00 0.00 C ATOM 1775 CD ARG B 77 13.792 -5.685 5.884 1.00 0.00 C ATOM 1776 NE ARG B 77 15.051 -6.339 6.243 1.00 0.00 N ATOM 1777 CZ ARG B 77 15.373 -7.582 5.891 1.00 0.00 C ATOM 1778 NH1 ARG B 77 14.530 -8.314 5.178 1.00 0.00 N1+ ATOM 1779 NH2 ARG B 77 16.540 -8.093 6.261 1.00 0.00 N ATOM 0 H ARG B 77 16.500 -3.126 2.838 1.00 0.00 H new ATOM 0 HA ARG B 77 14.094 -2.047 3.822 1.00 0.00 H new ATOM 0 HB2 ARG B 77 14.586 -4.448 3.635 1.00 0.00 H new ATOM 0 HB3 ARG B 77 15.906 -4.298 4.778 1.00 0.00 H new ATOM 0 HG2 ARG B 77 14.337 -3.733 6.580 1.00 0.00 H new ATOM 0 HG3 ARG B 77 12.994 -3.743 5.454 1.00 0.00 H new ATOM 0 HD2 ARG B 77 13.059 -5.853 6.673 1.00 0.00 H new ATOM 0 HD3 ARG B 77 13.394 -6.140 4.977 1.00 0.00 H new ATOM 0 HE ARG B 77 15.724 -5.810 6.797 1.00 0.00 H new ATOM 0 HH11 ARG B 77 13.630 -7.926 4.896 1.00 0.00 H new ATOM 0 HH12 ARG B 77 14.781 -9.266 4.911 1.00 0.00 H new ATOM 0 HH21 ARG B 77 17.189 -7.534 6.814 1.00 0.00 H new ATOM 0 HH22 ARG B 77 16.788 -9.045 5.992 1.00 0.00 H new ATOM 1793 N GLY B 78 14.670 -0.600 5.709 1.00 0.00 N ATOM 1794 CA GLY B 78 14.899 0.200 6.897 1.00 0.00 C ATOM 1795 C GLY B 78 15.896 1.326 6.685 1.00 0.00 C ATOM 1796 O GLY B 78 15.753 2.389 7.275 1.00 0.00 O ATOM 0 H GLY B 78 13.868 -0.309 5.150 1.00 0.00 H new ATOM 0 HA2 GLY B 78 13.951 0.622 7.229 1.00 0.00 H new ATOM 0 HA3 GLY B 78 15.258 -0.447 7.698 1.00 0.00 H new ATOM 1800 N ASP B 79 16.901 1.094 5.852 1.00 0.00 N ATOM 1801 CA ASP B 79 17.957 2.081 5.622 1.00 0.00 C ATOM 1802 C ASP B 79 17.628 3.003 4.453 1.00 0.00 C ATOM 1803 O ASP B 79 17.581 2.561 3.301 1.00 0.00 O ATOM 1804 CB ASP B 79 19.294 1.384 5.358 1.00 0.00 C ATOM 1805 CG ASP B 79 20.411 2.365 5.042 1.00 0.00 C ATOM 1806 OD1 ASP B 79 20.824 3.120 5.943 1.00 0.00 O1- ATOM 1807 OD2 ASP B 79 20.884 2.389 3.886 1.00 0.00 O ATOM 0 H ASP B 79 17.011 0.230 5.321 1.00 0.00 H new ATOM 0 HA ASP B 79 18.031 2.687 6.525 1.00 0.00 H new ATOM 0 HB2 ASP B 79 19.570 0.793 6.231 1.00 0.00 H new ATOM 0 HB3 ASP B 79 19.179 0.689 4.526 1.00 0.00 H new ATOM 1812 N VAL B 80 17.404 4.282 4.751 1.00 0.00 N ATOM 1813 CA VAL B 80 17.215 5.290 3.712 1.00 0.00 C ATOM 1814 C VAL B 80 17.143 6.713 4.299 1.00 0.00 C ATOM 1815 O VAL B 80 18.019 7.535 4.024 1.00 0.00 O ATOM 1816 CB VAL B 80 15.983 4.986 2.814 1.00 0.00 C ATOM 1817 CG1 VAL B 80 14.704 4.846 3.623 1.00 0.00 C ATOM 1818 CG2 VAL B 80 15.829 6.044 1.732 1.00 0.00 C ATOM 0 H VAL B 80 17.349 4.643 5.703 1.00 0.00 H new ATOM 0 HA VAL B 80 18.096 5.244 3.072 1.00 0.00 H new ATOM 0 HB VAL B 80 16.164 4.024 2.334 1.00 0.00 H new ATOM 0 HG11 VAL B 80 13.871 4.634 2.953 1.00 0.00 H new ATOM 0 HG12 VAL B 80 14.812 4.029 4.337 1.00 0.00 H new ATOM 0 HG13 VAL B 80 14.510 5.774 4.161 1.00 0.00 H new ATOM 0 HG21 VAL B 80 14.961 5.811 1.116 1.00 0.00 H new ATOM 0 HG22 VAL B 80 15.693 7.021 2.195 1.00 0.00 H new ATOM 0 HG23 VAL B 80 16.723 6.059 1.108 1.00 0.00 H new ATOM 1828 N ILE B 81 16.132 7.008 5.115 1.00 0.00 N ATOM 1829 CA ILE B 81 15.962 8.357 5.657 1.00 0.00 C ATOM 1830 C ILE B 81 15.990 8.361 7.185 1.00 0.00 C ATOM 1831 O ILE B 81 16.745 9.118 7.799 1.00 0.00 O ATOM 1832 CB ILE B 81 14.633 9.001 5.189 1.00 0.00 C ATOM 1833 CG1 ILE B 81 14.600 9.148 3.666 1.00 0.00 C ATOM 1834 CG2 ILE B 81 14.418 10.355 5.854 1.00 0.00 C ATOM 1835 CD1 ILE B 81 15.727 9.993 3.108 1.00 0.00 C ATOM 0 H ILE B 81 15.423 6.338 5.414 1.00 0.00 H new ATOM 0 HA ILE B 81 16.801 8.941 5.277 1.00 0.00 H new ATOM 0 HB ILE B 81 13.822 8.337 5.488 1.00 0.00 H new ATOM 0 HG12 ILE B 81 14.643 8.157 3.214 1.00 0.00 H new ATOM 0 HG13 ILE B 81 13.648 9.590 3.374 1.00 0.00 H new ATOM 0 HG21 ILE B 81 13.478 10.785 5.508 1.00 0.00 H new ATOM 0 HG22 ILE B 81 14.382 10.227 6.936 1.00 0.00 H new ATOM 0 HG23 ILE B 81 15.240 11.022 5.594 1.00 0.00 H new ATOM 0 HD11 ILE B 81 15.636 10.051 2.023 1.00 0.00 H new ATOM 0 HD12 ILE B 81 15.673 10.996 3.531 1.00 0.00 H new ATOM 0 HD13 ILE B 81 16.684 9.541 3.368 1.00 0.00 H new ATOM 1847 N SER B 82 15.180 7.506 7.791 1.00 0.00 N ATOM 1848 CA SER B 82 15.027 7.496 9.234 1.00 0.00 C ATOM 1849 C SER B 82 14.461 6.165 9.700 1.00 0.00 C ATOM 1850 O SER B 82 13.482 5.663 9.145 1.00 0.00 O ATOM 1851 CB SER B 82 14.112 8.650 9.664 1.00 0.00 C ATOM 1852 OG SER B 82 14.133 8.843 11.069 1.00 0.00 O ATOM 0 H SER B 82 14.618 6.809 7.302 1.00 0.00 H new ATOM 0 HA SER B 82 16.005 7.628 9.696 1.00 0.00 H new ATOM 0 HB2 SER B 82 14.426 9.568 9.166 1.00 0.00 H new ATOM 0 HB3 SER B 82 13.092 8.445 9.340 1.00 0.00 H new ATOM 0 HG SER B 82 13.540 9.587 11.306 1.00 0.00 H new ATOM 1858 N ASP B 83 15.093 5.598 10.713 1.00 0.00 N ATOM 1859 CA ASP B 83 14.674 4.325 11.273 1.00 0.00 C ATOM 1860 C ASP B 83 13.604 4.536 12.326 1.00 0.00 C ATOM 1861 O ASP B 83 13.638 5.514 13.077 1.00 0.00 O ATOM 1862 CB ASP B 83 15.859 3.588 11.895 1.00 0.00 C ATOM 1863 CG ASP B 83 16.891 3.143 10.879 1.00 0.00 C ATOM 1864 OD1 ASP B 83 17.699 3.985 10.430 1.00 0.00 O ATOM 1865 OD2 ASP B 83 16.928 1.939 10.553 1.00 0.00 O1- ATOM 0 H ASP B 83 15.909 6.006 11.169 1.00 0.00 H new ATOM 0 HA ASP B 83 14.268 3.721 10.462 1.00 0.00 H new ATOM 0 HB2 ASP B 83 16.338 4.238 12.627 1.00 0.00 H new ATOM 0 HB3 ASP B 83 15.492 2.715 12.435 1.00 0.00 H new ATOM 1870 N GLY B 84 12.656 3.625 12.377 1.00 0.00 N ATOM 1871 CA GLY B 84 11.603 3.708 13.366 1.00 0.00 C ATOM 1872 C GLY B 84 11.272 2.358 13.959 1.00 0.00 C ATOM 1873 O GLY B 84 11.928 1.954 14.939 1.00 0.00 O ATOM 1874 OXT GLY B 84 10.347 1.695 13.457 1.00 0.00 O ATOM 0 H GLY B 84 12.593 2.823 11.750 1.00 0.00 H new ATOM 0 HA2 GLY B 84 11.906 4.388 14.162 1.00 0.00 H new ATOM 0 HA3 GLY B 84 10.709 4.131 12.908 1.00 0.00 H new