USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=24 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 Set 1.1: B 40 THR OG1 : rot -62:sc= 2.14 USER MOD Set 1.2: B 43 LYS NZ :NH3+ -164:sc= -0.321! (180deg=-2.59!) USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= 0.893 (180deg=0.713) USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= -0.104 (180deg=-0.446) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 42 SER OG : rot 25:sc= 0.4 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00362 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 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 :FLIP amide:sc= 0 F(o=-1.9,f=0) USER MOD Single : A 67 TYR OH : rot 0:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 80 CYS SG : rot 102:sc= 0.1 USER MOD Single : B 31 SER OG : rot -160:sc= -2.04! USER MOD Single : B 35 SER OG : rot -12:sc= -0.103 USER MOD Single : B 38 LYS NZ :NH3+ 165:sc= 0.144 (180deg=-0.349) USER MOD Single : B 41 LYS NZ :NH3+ 172:sc= -0.0114 (180deg=-0.106) USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot -57:sc=4.54e-05 USER MOD Single : B 57 TYR OH : rot -106:sc= 1.23 USER MOD Single : B 60 MET CE :methyl 176:sc= -1.91 (180deg=-2.05) USER MOD Single : B 63 LYS NZ :NH3+ -177:sc= 1.75 (180deg=1.7) USER MOD Single : B 66 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 68 ASN : amide:sc= 0.0816 K(o=0.082,f=-8.2!) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N LYS A 34 -6.530 -13.276 2.690 1.00 0.00 N ATOM 106 CA LYS A 34 -5.559 -12.377 3.296 1.00 0.00 C ATOM 107 C LYS A 34 -6.264 -11.265 4.066 1.00 0.00 C ATOM 108 O LYS A 34 -7.459 -11.031 3.880 1.00 0.00 O ATOM 109 CB LYS A 34 -4.657 -11.765 2.224 1.00 0.00 C ATOM 110 CG LYS A 34 -4.060 -12.782 1.264 1.00 0.00 C ATOM 111 CD LYS A 34 -3.154 -13.768 1.978 1.00 0.00 C ATOM 112 CE LYS A 34 -2.623 -14.828 1.025 1.00 0.00 C ATOM 113 NZ LYS A 34 -1.824 -14.244 -0.087 1.00 0.00 N1+ ATOM 0 HA LYS A 34 -4.949 -12.956 3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.232 -11.036 1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.847 -11.222 2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.863 -13.323 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.494 -12.263 0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.319 -13.234 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.703 -14.248 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.006 -15.535 1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.459 -15.392 0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.346 -15.006 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.454 -13.725 -0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.113 -13.592 0.302 1.00 0.00 H new ATOM 127 N LYS A 35 -5.522 -10.576 4.921 1.00 0.00 N ATOM 128 CA LYS A 35 -6.083 -9.486 5.707 1.00 0.00 C ATOM 129 C LYS A 35 -5.530 -8.150 5.244 1.00 0.00 C ATOM 130 O LYS A 35 -4.536 -7.658 5.769 1.00 0.00 O ATOM 131 CB LYS A 35 -5.801 -9.661 7.204 1.00 0.00 C ATOM 132 CG LYS A 35 -6.553 -10.809 7.858 1.00 0.00 C ATOM 133 CD LYS A 35 -5.885 -12.151 7.604 1.00 0.00 C ATOM 134 CE LYS A 35 -6.634 -13.275 8.295 1.00 0.00 C ATOM 135 NZ LYS A 35 -6.757 -13.039 9.758 1.00 0.00 N1+ ATOM 0 H LYS A 35 -4.531 -10.752 5.088 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.162 -9.506 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.731 -9.818 7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.057 -8.735 7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.617 -10.634 8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.574 -10.836 7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.844 -12.343 6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.856 -12.122 7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.628 -13.372 7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.116 -14.218 8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.006 -13.930 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.851 -12.689 10.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.500 -12.333 9.935 1.00 0.00 H new ATOM 149 N PHE A 36 -6.170 -7.569 4.254 1.00 0.00 N ATOM 150 CA PHE A 36 -5.772 -6.263 3.769 1.00 0.00 C ATOM 151 C PHE A 36 -6.745 -5.213 4.292 1.00 0.00 C ATOM 152 O PHE A 36 -7.940 -5.477 4.391 1.00 0.00 O ATOM 153 CB PHE A 36 -5.739 -6.259 2.241 1.00 0.00 C ATOM 154 CG PHE A 36 -4.805 -7.279 1.650 1.00 0.00 C ATOM 155 CD1 PHE A 36 -3.462 -7.291 1.988 1.00 0.00 C ATOM 156 CD2 PHE A 36 -5.272 -8.218 0.744 1.00 0.00 C ATOM 157 CE1 PHE A 36 -2.602 -8.221 1.435 1.00 0.00 C ATOM 158 CE2 PHE A 36 -4.418 -9.150 0.189 1.00 0.00 C ATOM 159 CZ PHE A 36 -3.081 -9.152 0.534 1.00 0.00 C ATOM 0 H PHE A 36 -6.968 -7.978 3.768 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.771 -6.027 4.130 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.746 -6.441 1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.445 -5.268 1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.082 -6.565 2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.316 -8.221 0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.557 -8.220 1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.795 -9.877 -0.515 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.411 -9.880 0.100 1.00 0.00 H new ATOM 169 N TRP A 37 -6.239 -4.041 4.656 1.00 0.00 N ATOM 170 CA TRP A 37 -7.089 -2.991 5.211 1.00 0.00 C ATOM 171 C TRP A 37 -6.903 -1.676 4.461 1.00 0.00 C ATOM 172 O TRP A 37 -5.775 -1.279 4.157 1.00 0.00 O ATOM 173 CB TRP A 37 -6.777 -2.788 6.697 1.00 0.00 C ATOM 174 CG TRP A 37 -6.977 -4.020 7.528 1.00 0.00 C ATOM 175 CD1 TRP A 37 -6.063 -5.009 7.764 1.00 0.00 C ATOM 176 CD2 TRP A 37 -8.164 -4.395 8.236 1.00 0.00 C ATOM 177 NE1 TRP A 37 -6.611 -5.975 8.570 1.00 0.00 N ATOM 178 CE2 TRP A 37 -7.901 -5.621 8.873 1.00 0.00 C ATOM 179 CE3 TRP A 37 -9.425 -3.811 8.392 1.00 0.00 C ATOM 180 CZ2 TRP A 37 -8.850 -6.274 9.655 1.00 0.00 C ATOM 181 CZ3 TRP A 37 -10.367 -4.460 9.167 1.00 0.00 C ATOM 182 CH2 TRP A 37 -10.076 -5.680 9.789 1.00 0.00 C ATOM 0 H TRP A 37 -5.253 -3.793 4.578 1.00 0.00 H new ATOM 0 HA TRP A 37 -8.126 -3.306 5.099 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.744 -2.454 6.800 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -7.410 -1.991 7.087 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -5.056 -5.027 7.373 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.136 -6.819 8.891 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -9.658 -2.870 7.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -8.627 -7.214 10.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -11.344 -4.019 9.295 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -10.835 -6.163 10.387 1.00 0.00 H new ATOM 193 N ALA A 38 -8.012 -1.011 4.160 1.00 0.00 N ATOM 194 CA ALA A 38 -7.979 0.278 3.483 1.00 0.00 C ATOM 195 C ALA A 38 -8.786 1.314 4.253 1.00 0.00 C ATOM 196 O ALA A 38 -9.973 1.122 4.519 1.00 0.00 O ATOM 197 CB ALA A 38 -8.517 0.153 2.065 1.00 0.00 C ATOM 0 H ALA A 38 -8.951 -1.347 4.376 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.941 0.606 3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.484 1.127 1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.906 -0.555 1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.547 -0.202 2.097 1.00 0.00 H new ATOM 203 N THR A 39 -8.133 2.398 4.619 1.00 0.00 N ATOM 204 CA THR A 39 -8.792 3.521 5.253 1.00 0.00 C ATOM 205 C THR A 39 -9.381 4.433 4.181 1.00 0.00 C ATOM 206 O THR A 39 -8.657 4.930 3.320 1.00 0.00 O ATOM 207 CB THR A 39 -7.791 4.317 6.117 1.00 0.00 C ATOM 208 OG1 THR A 39 -7.137 3.440 7.043 1.00 0.00 O ATOM 209 CG2 THR A 39 -8.477 5.433 6.882 1.00 0.00 C ATOM 0 H THR A 39 -7.130 2.525 4.485 1.00 0.00 H new ATOM 0 HA THR A 39 -9.588 3.146 5.897 1.00 0.00 H new ATOM 0 HB THR A 39 -7.058 4.763 5.445 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.502 3.952 7.586 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.741 5.971 7.479 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.947 6.121 6.179 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.237 5.010 7.539 1.00 0.00 H new ATOM 217 N VAL A 40 -10.688 4.625 4.214 1.00 0.00 N ATOM 218 CA VAL A 40 -11.359 5.461 3.228 1.00 0.00 C ATOM 219 C VAL A 40 -12.045 6.642 3.886 1.00 0.00 C ATOM 220 O VAL A 40 -12.435 6.577 5.053 1.00 0.00 O ATOM 221 CB VAL A 40 -12.427 4.681 2.430 1.00 0.00 C ATOM 222 CG1 VAL A 40 -11.804 3.681 1.479 1.00 0.00 C ATOM 223 CG2 VAL A 40 -13.377 3.975 3.374 1.00 0.00 C ATOM 0 H VAL A 40 -11.308 4.214 4.912 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.578 5.804 2.549 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.981 5.406 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.590 3.155 0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.163 4.204 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.209 2.963 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -14.124 3.429 2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -12.819 3.277 3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -13.873 4.710 4.008 1.00 0.00 H new ATOM 233 N GLU A 41 -12.190 7.716 3.132 1.00 0.00 N ATOM 234 CA GLU A 41 -13.006 8.835 3.555 1.00 0.00 C ATOM 235 C GLU A 41 -14.038 9.133 2.480 1.00 0.00 C ATOM 236 O GLU A 41 -13.699 9.442 1.337 1.00 0.00 O ATOM 237 CB GLU A 41 -12.160 10.076 3.849 1.00 0.00 C ATOM 238 CG GLU A 41 -12.979 11.238 4.395 1.00 0.00 C ATOM 239 CD GLU A 41 -12.141 12.456 4.725 1.00 0.00 C ATOM 240 OE1 GLU A 41 -11.875 13.266 3.812 1.00 0.00 O ATOM 241 OE2 GLU A 41 -11.761 12.622 5.905 1.00 0.00 O1- ATOM 0 H GLU A 41 -11.750 7.836 2.219 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.509 8.566 4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.383 9.817 4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.657 10.391 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.738 11.515 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.505 10.913 5.293 1.00 0.00 H new ATOM 248 N SER A 42 -15.295 9.011 2.854 1.00 0.00 N ATOM 249 CA SER A 42 -16.397 9.255 1.949 1.00 0.00 C ATOM 250 C SER A 42 -16.724 10.747 1.947 1.00 0.00 C ATOM 251 O SER A 42 -15.882 11.572 2.316 1.00 0.00 O ATOM 252 CB SER A 42 -17.613 8.418 2.379 1.00 0.00 C ATOM 253 OG SER A 42 -18.644 8.448 1.403 1.00 0.00 O ATOM 0 H SER A 42 -15.581 8.740 3.795 1.00 0.00 H new ATOM 0 HA SER A 42 -16.124 8.959 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.303 7.387 2.549 1.00 0.00 H new ATOM 0 HB3 SER A 42 -17.998 8.796 3.326 1.00 0.00 H new ATOM 0 HG SER A 42 -18.257 8.641 0.524 1.00 0.00 H new ATOM 259 N SER A 43 -17.932 11.085 1.513 1.00 0.00 N ATOM 260 CA SER A 43 -18.392 12.464 1.476 1.00 0.00 C ATOM 261 C SER A 43 -18.135 13.171 2.808 1.00 0.00 C ATOM 262 O SER A 43 -17.772 14.348 2.834 1.00 0.00 O ATOM 263 CB SER A 43 -19.882 12.491 1.136 1.00 0.00 C ATOM 264 OG SER A 43 -20.150 11.706 -0.015 1.00 0.00 O ATOM 0 H SER A 43 -18.619 10.410 1.177 1.00 0.00 H new ATOM 0 HA SER A 43 -17.833 12.998 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 43 -20.459 12.115 1.981 1.00 0.00 H new ATOM 0 HB3 SER A 43 -20.202 13.519 0.963 1.00 0.00 H new ATOM 0 HG SER A 43 -21.109 11.735 -0.215 1.00 0.00 H new ATOM 270 N GLU A 44 -18.327 12.457 3.913 1.00 0.00 N ATOM 271 CA GLU A 44 -18.037 13.011 5.227 1.00 0.00 C ATOM 272 C GLU A 44 -17.381 11.974 6.139 1.00 0.00 C ATOM 273 O GLU A 44 -16.350 12.242 6.758 1.00 0.00 O ATOM 274 CB GLU A 44 -19.314 13.549 5.870 1.00 0.00 C ATOM 275 CG GLU A 44 -19.072 14.289 7.172 1.00 0.00 C ATOM 276 CD GLU A 44 -20.344 14.850 7.760 1.00 0.00 C ATOM 277 OE1 GLU A 44 -20.749 15.960 7.359 1.00 0.00 O1- ATOM 278 OE2 GLU A 44 -20.950 14.183 8.618 1.00 0.00 O ATOM 0 H GLU A 44 -18.680 11.500 3.923 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.333 13.832 5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.810 14.219 5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.996 12.719 6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.610 13.612 7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -18.366 15.101 6.999 1.00 0.00 H new ATOM 285 N HIS A 45 -17.979 10.791 6.210 1.00 0.00 N ATOM 286 CA HIS A 45 -17.521 9.747 7.126 1.00 0.00 C ATOM 287 C HIS A 45 -16.240 9.087 6.630 1.00 0.00 C ATOM 288 O HIS A 45 -15.949 9.093 5.437 1.00 0.00 O ATOM 289 CB HIS A 45 -18.604 8.682 7.312 1.00 0.00 C ATOM 290 CG HIS A 45 -19.787 9.143 8.107 1.00 0.00 C ATOM 291 ND1 HIS A 45 -19.967 8.832 9.437 1.00 0.00 N ATOM 292 CD2 HIS A 45 -20.865 9.883 7.749 1.00 0.00 C ATOM 293 CE1 HIS A 45 -21.100 9.357 9.861 1.00 0.00 C ATOM 294 NE2 HIS A 45 -21.664 10.000 8.858 1.00 0.00 N ATOM 0 H HIS A 45 -18.785 10.528 5.643 1.00 0.00 H new ATOM 0 HA HIS A 45 -17.313 10.226 8.083 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -18.946 8.352 6.331 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -18.164 7.815 7.805 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -21.059 10.302 6.773 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -21.499 9.274 10.861 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -22.550 10.503 8.900 1.00 0.00 H new ATOM 303 N SER A 46 -15.489 8.511 7.554 1.00 0.00 N ATOM 304 CA SER A 46 -14.252 7.820 7.227 1.00 0.00 C ATOM 305 C SER A 46 -14.100 6.582 8.106 1.00 0.00 C ATOM 306 O SER A 46 -14.537 6.584 9.258 1.00 0.00 O ATOM 307 CB SER A 46 -13.062 8.763 7.412 1.00 0.00 C ATOM 308 OG SER A 46 -13.185 9.510 8.611 1.00 0.00 O ATOM 0 H SER A 46 -15.718 8.509 8.548 1.00 0.00 H new ATOM 0 HA SER A 46 -14.282 7.503 6.185 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.137 8.187 7.432 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.996 9.442 6.562 1.00 0.00 H new ATOM 0 HG SER A 46 -12.411 10.104 8.707 1.00 0.00 H new ATOM 314 N PHE A 47 -13.499 5.527 7.564 1.00 0.00 N ATOM 315 CA PHE A 47 -13.356 4.270 8.293 1.00 0.00 C ATOM 316 C PHE A 47 -12.336 3.352 7.627 1.00 0.00 C ATOM 317 O PHE A 47 -11.903 3.602 6.501 1.00 0.00 O ATOM 318 CB PHE A 47 -14.710 3.555 8.399 1.00 0.00 C ATOM 319 CG PHE A 47 -15.405 3.332 7.080 1.00 0.00 C ATOM 320 CD1 PHE A 47 -15.092 2.239 6.286 1.00 0.00 C ATOM 321 CD2 PHE A 47 -16.381 4.214 6.641 1.00 0.00 C ATOM 322 CE1 PHE A 47 -15.740 2.030 5.083 1.00 0.00 C ATOM 323 CE2 PHE A 47 -17.027 4.011 5.439 1.00 0.00 C ATOM 324 CZ PHE A 47 -16.707 2.916 4.660 1.00 0.00 C ATOM 0 H PHE A 47 -13.104 5.517 6.624 1.00 0.00 H new ATOM 0 HA PHE A 47 -12.996 4.509 9.294 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -14.560 2.590 8.884 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.365 4.139 9.046 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.333 1.543 6.611 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -16.638 5.070 7.247 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -15.489 1.173 4.475 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -17.783 4.708 5.107 1.00 0.00 H new ATOM 0 HZ PHE A 47 -17.214 2.754 3.720 1.00 0.00 H new ATOM 334 N GLU A 48 -11.963 2.292 8.332 1.00 0.00 N ATOM 335 CA GLU A 48 -11.044 1.296 7.801 1.00 0.00 C ATOM 336 C GLU A 48 -11.818 0.055 7.381 1.00 0.00 C ATOM 337 O GLU A 48 -12.461 -0.595 8.208 1.00 0.00 O ATOM 338 CB GLU A 48 -9.997 0.930 8.852 1.00 0.00 C ATOM 339 CG GLU A 48 -9.124 2.100 9.272 1.00 0.00 C ATOM 340 CD GLU A 48 -8.219 1.759 10.433 1.00 0.00 C ATOM 341 OE1 GLU A 48 -7.171 1.117 10.214 1.00 0.00 O1- ATOM 342 OE2 GLU A 48 -8.554 2.128 11.576 1.00 0.00 O ATOM 0 H GLU A 48 -12.286 2.100 9.280 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.535 1.711 6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.501 0.529 9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.362 0.136 8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.518 2.419 8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.759 2.943 9.546 1.00 0.00 H new ATOM 349 N VAL A 49 -11.753 -0.271 6.104 1.00 0.00 N ATOM 350 CA VAL A 49 -12.516 -1.381 5.557 1.00 0.00 C ATOM 351 C VAL A 49 -11.580 -2.459 5.000 1.00 0.00 C ATOM 352 O VAL A 49 -10.578 -2.146 4.353 1.00 0.00 O ATOM 353 CB VAL A 49 -13.487 -0.878 4.458 1.00 0.00 C ATOM 354 CG1 VAL A 49 -12.733 -0.222 3.310 1.00 0.00 C ATOM 355 CG2 VAL A 49 -14.378 -2.003 3.949 1.00 0.00 C ATOM 0 H VAL A 49 -11.176 0.220 5.421 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.104 -1.825 6.360 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.128 -0.122 4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.443 0.120 2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.166 0.629 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.050 -0.944 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -15.047 -1.618 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.759 -2.795 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -14.967 -2.403 4.775 1.00 0.00 H new ATOM 365 N PRO A 50 -11.868 -3.742 5.290 1.00 0.00 N ATOM 366 CA PRO A 50 -11.077 -4.867 4.781 1.00 0.00 C ATOM 367 C PRO A 50 -11.090 -4.951 3.256 1.00 0.00 C ATOM 368 O PRO A 50 -12.118 -4.726 2.613 1.00 0.00 O ATOM 369 CB PRO A 50 -11.755 -6.107 5.380 1.00 0.00 C ATOM 370 CG PRO A 50 -12.568 -5.597 6.519 1.00 0.00 C ATOM 371 CD PRO A 50 -12.971 -4.199 6.152 1.00 0.00 C ATOM 0 HA PRO A 50 -10.028 -4.766 5.058 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -12.382 -6.608 4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.017 -6.835 5.718 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.444 -6.224 6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.991 -5.606 7.444 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.926 -4.181 5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.080 -3.568 7.034 1.00 0.00 H new ATOM 379 N ILE A 51 -9.939 -5.274 2.693 1.00 0.00 N ATOM 380 CA ILE A 51 -9.801 -5.455 1.259 1.00 0.00 C ATOM 381 C ILE A 51 -9.668 -6.934 0.953 1.00 0.00 C ATOM 382 O ILE A 51 -8.857 -7.633 1.564 1.00 0.00 O ATOM 383 CB ILE A 51 -8.566 -4.713 0.701 1.00 0.00 C ATOM 384 CG1 ILE A 51 -8.637 -3.226 1.029 1.00 0.00 C ATOM 385 CG2 ILE A 51 -8.443 -4.920 -0.805 1.00 0.00 C ATOM 386 CD1 ILE A 51 -9.852 -2.545 0.453 1.00 0.00 C ATOM 0 H ILE A 51 -9.075 -5.418 3.216 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.689 -5.039 0.783 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.679 -5.130 1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.637 -3.100 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.740 -2.735 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.566 -4.388 -1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.339 -5.984 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.336 -4.536 -1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.840 -1.489 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.842 -2.641 -0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.753 -3.012 0.851 1.00 0.00 H new ATOM 398 N TYR A 52 -10.467 -7.410 0.021 1.00 0.00 N ATOM 399 CA TYR A 52 -10.453 -8.814 -0.322 1.00 0.00 C ATOM 400 C TYR A 52 -9.718 -9.021 -1.635 1.00 0.00 C ATOM 401 O TYR A 52 -10.185 -8.597 -2.694 1.00 0.00 O ATOM 402 CB TYR A 52 -11.886 -9.332 -0.414 1.00 0.00 C ATOM 403 CG TYR A 52 -12.734 -8.930 0.770 1.00 0.00 C ATOM 404 CD1 TYR A 52 -12.565 -9.534 2.010 1.00 0.00 C ATOM 405 CD2 TYR A 52 -13.697 -7.938 0.651 1.00 0.00 C ATOM 406 CE1 TYR A 52 -13.333 -9.163 3.094 1.00 0.00 C ATOM 407 CE2 TYR A 52 -14.470 -7.563 1.732 1.00 0.00 C ATOM 408 CZ TYR A 52 -14.283 -8.178 2.951 1.00 0.00 C ATOM 409 OH TYR A 52 -15.059 -7.813 4.029 1.00 0.00 O ATOM 0 H TYR A 52 -11.131 -6.847 -0.510 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.929 -9.373 0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -12.345 -8.955 -1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.870 -10.419 -0.490 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -11.820 -10.307 2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -13.844 -7.452 -0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -13.189 -9.643 4.051 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -15.218 -6.791 1.623 1.00 0.00 H new ATOM 0 HH TYR A 52 -15.679 -7.104 3.760 1.00 0.00 H new ATOM 419 N ALA A 53 -8.560 -9.653 -1.553 1.00 0.00 N ATOM 420 CA ALA A 53 -7.741 -9.917 -2.722 1.00 0.00 C ATOM 421 C ALA A 53 -6.850 -11.124 -2.484 1.00 0.00 C ATOM 422 O ALA A 53 -6.798 -11.657 -1.375 1.00 0.00 O ATOM 423 CB ALA A 53 -6.898 -8.702 -3.068 1.00 0.00 C ATOM 0 H ALA A 53 -8.163 -9.996 -0.678 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.402 -10.131 -3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.291 -8.919 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.550 -7.854 -3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.247 -8.460 -2.228 1.00 0.00 H new ATOM 429 N GLU A 54 -6.142 -11.543 -3.518 1.00 0.00 N ATOM 430 CA GLU A 54 -5.247 -12.685 -3.417 1.00 0.00 C ATOM 431 C GLU A 54 -3.832 -12.234 -3.065 1.00 0.00 C ATOM 432 O GLU A 54 -3.232 -12.708 -2.095 1.00 0.00 O ATOM 433 CB GLU A 54 -5.225 -13.446 -4.741 1.00 0.00 C ATOM 434 CG GLU A 54 -6.592 -13.915 -5.204 1.00 0.00 C ATOM 435 CD GLU A 54 -6.549 -14.546 -6.577 1.00 0.00 C ATOM 436 OE1 GLU A 54 -6.653 -13.805 -7.576 1.00 0.00 O ATOM 437 OE2 GLU A 54 -6.412 -15.786 -6.667 1.00 0.00 O1- ATOM 0 H GLU A 54 -6.169 -11.109 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.613 -13.339 -2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.792 -12.806 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.570 -14.311 -4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.988 -14.635 -4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.279 -13.068 -5.217 1.00 0.00 H new ATOM 444 N THR A 55 -3.321 -11.297 -3.849 1.00 0.00 N ATOM 445 CA THR A 55 -1.931 -10.880 -3.753 1.00 0.00 C ATOM 446 C THR A 55 -1.824 -9.437 -3.243 1.00 0.00 C ATOM 447 O THR A 55 -2.815 -8.704 -3.258 1.00 0.00 O ATOM 448 CB THR A 55 -1.262 -10.992 -5.138 1.00 0.00 C ATOM 449 OG1 THR A 55 -1.793 -12.125 -5.840 1.00 0.00 O ATOM 450 CG2 THR A 55 0.244 -11.144 -5.018 1.00 0.00 C ATOM 0 H THR A 55 -3.855 -10.807 -4.566 1.00 0.00 H new ATOM 0 HA THR A 55 -1.423 -11.533 -3.043 1.00 0.00 H new ATOM 0 HB THR A 55 -1.473 -10.074 -5.686 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.368 -12.193 -6.720 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.682 -11.220 -6.013 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.658 -10.276 -4.505 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.475 -12.045 -4.450 1.00 0.00 H new ATOM 458 N LEU A 56 -0.636 -9.038 -2.790 1.00 0.00 N ATOM 459 CA LEU A 56 -0.404 -7.676 -2.300 1.00 0.00 C ATOM 460 C LEU A 56 -0.787 -6.631 -3.343 1.00 0.00 C ATOM 461 O LEU A 56 -1.672 -5.804 -3.113 1.00 0.00 O ATOM 462 CB LEU A 56 1.067 -7.491 -1.910 1.00 0.00 C ATOM 463 CG LEU A 56 1.388 -7.656 -0.424 1.00 0.00 C ATOM 464 CD1 LEU A 56 0.762 -6.528 0.380 1.00 0.00 C ATOM 465 CD2 LEU A 56 0.909 -9.007 0.085 1.00 0.00 C ATOM 0 H LEU A 56 0.186 -9.641 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.036 -7.534 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.665 -8.207 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.384 -6.496 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 56 2.470 -7.612 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.999 -6.659 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.157 -5.573 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.320 -6.543 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.148 -9.102 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.169 -9.086 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.405 -9.802 -0.472 1.00 0.00 H new ATOM 477 N ASP A 57 -0.122 -6.685 -4.490 1.00 0.00 N ATOM 478 CA ASP A 57 -0.360 -5.732 -5.574 1.00 0.00 C ATOM 479 C ASP A 57 -1.808 -5.796 -6.057 1.00 0.00 C ATOM 480 O ASP A 57 -2.390 -4.783 -6.452 1.00 0.00 O ATOM 481 CB ASP A 57 0.601 -6.014 -6.728 1.00 0.00 C ATOM 482 CG ASP A 57 0.427 -5.053 -7.883 1.00 0.00 C ATOM 483 OD1 ASP A 57 0.860 -3.887 -7.763 1.00 0.00 O ATOM 484 OD2 ASP A 57 -0.123 -5.468 -8.922 1.00 0.00 O1- ATOM 0 H ASP A 57 0.592 -7.383 -4.697 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.181 -4.726 -5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.627 -5.955 -6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.447 -7.033 -7.083 1.00 0.00 H new ATOM 489 N GLU A 58 -2.382 -6.995 -6.002 1.00 0.00 N ATOM 490 CA GLU A 58 -3.786 -7.208 -6.344 1.00 0.00 C ATOM 491 C GLU A 58 -4.681 -6.358 -5.442 1.00 0.00 C ATOM 492 O GLU A 58 -5.613 -5.700 -5.904 1.00 0.00 O ATOM 493 CB GLU A 58 -4.134 -8.693 -6.181 1.00 0.00 C ATOM 494 CG GLU A 58 -5.566 -9.051 -6.548 1.00 0.00 C ATOM 495 CD GLU A 58 -5.818 -9.013 -8.039 1.00 0.00 C ATOM 496 OE1 GLU A 58 -5.333 -9.921 -8.747 1.00 0.00 O1- ATOM 497 OE2 GLU A 58 -6.508 -8.085 -8.508 1.00 0.00 O ATOM 0 H GLU A 58 -1.890 -7.843 -5.720 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.952 -6.912 -7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.456 -9.282 -6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.955 -8.983 -5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.794 -10.048 -6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.247 -8.359 -6.052 1.00 0.00 H new ATOM 504 N ALA A 59 -4.374 -6.367 -4.151 1.00 0.00 N ATOM 505 CA ALA A 59 -5.131 -5.598 -3.173 1.00 0.00 C ATOM 506 C ALA A 59 -4.882 -4.110 -3.345 1.00 0.00 C ATOM 507 O ALA A 59 -5.791 -3.300 -3.195 1.00 0.00 O ATOM 508 CB ALA A 59 -4.757 -6.025 -1.764 1.00 0.00 C ATOM 0 H ALA A 59 -3.601 -6.902 -3.756 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.191 -5.793 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.330 -5.442 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.980 -7.084 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.692 -5.856 -1.603 1.00 0.00 H new ATOM 514 N LEU A 60 -3.641 -3.770 -3.661 1.00 0.00 N ATOM 515 CA LEU A 60 -3.229 -2.385 -3.830 1.00 0.00 C ATOM 516 C LEU A 60 -4.080 -1.667 -4.874 1.00 0.00 C ATOM 517 O LEU A 60 -4.577 -0.564 -4.628 1.00 0.00 O ATOM 518 CB LEU A 60 -1.745 -2.332 -4.206 1.00 0.00 C ATOM 519 CG LEU A 60 -1.229 -0.994 -4.741 1.00 0.00 C ATOM 520 CD1 LEU A 60 -1.557 0.149 -3.792 1.00 0.00 C ATOM 521 CD2 LEU A 60 0.268 -1.078 -4.964 1.00 0.00 C ATOM 0 H LEU A 60 -2.892 -4.447 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.378 -1.865 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.159 -2.597 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.555 -3.098 -4.958 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.728 -0.790 -5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.176 1.084 -4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.638 0.221 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.093 -0.037 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.633 -0.124 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.764 -1.306 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.485 -1.864 -5.687 1.00 0.00 H new ATOM 533 N GLU A 61 -4.258 -2.281 -6.035 1.00 0.00 N ATOM 534 CA GLU A 61 -5.034 -1.646 -7.084 1.00 0.00 C ATOM 535 C GLU A 61 -6.517 -1.615 -6.719 1.00 0.00 C ATOM 536 O GLU A 61 -7.189 -0.608 -6.935 1.00 0.00 O ATOM 537 CB GLU A 61 -4.815 -2.325 -8.442 1.00 0.00 C ATOM 538 CG GLU A 61 -5.152 -3.806 -8.478 1.00 0.00 C ATOM 539 CD GLU A 61 -5.085 -4.372 -9.881 1.00 0.00 C ATOM 540 OE1 GLU A 61 -3.971 -4.633 -10.372 1.00 0.00 O ATOM 541 OE2 GLU A 61 -6.151 -4.559 -10.506 1.00 0.00 O1- ATOM 0 H GLU A 61 -3.883 -3.200 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.683 -0.618 -7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.419 -1.812 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.772 -2.197 -8.732 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.461 -4.350 -7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.152 -3.960 -8.073 1.00 0.00 H new ATOM 548 N LEU A 62 -7.008 -2.698 -6.120 1.00 0.00 N ATOM 549 CA LEU A 62 -8.422 -2.806 -5.772 1.00 0.00 C ATOM 550 C LEU A 62 -8.819 -1.849 -4.664 1.00 0.00 C ATOM 551 O LEU A 62 -9.851 -1.201 -4.762 1.00 0.00 O ATOM 552 CB LEU A 62 -8.781 -4.226 -5.352 1.00 0.00 C ATOM 553 CG LEU A 62 -8.850 -5.240 -6.484 1.00 0.00 C ATOM 554 CD1 LEU A 62 -9.070 -6.634 -5.925 1.00 0.00 C ATOM 555 CD2 LEU A 62 -9.963 -4.865 -7.451 1.00 0.00 C ATOM 0 H LEU A 62 -6.448 -3.512 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.975 -2.540 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.046 -4.569 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.746 -4.205 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.905 -5.234 -7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.118 -7.351 -6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.245 -6.895 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.006 -6.659 -5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.005 -5.596 -8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.916 -4.853 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.766 -3.877 -7.867 1.00 0.00 H new ATOM 567 N ALA A 63 -8.007 -1.768 -3.615 1.00 0.00 N ATOM 568 CA ALA A 63 -8.325 -0.930 -2.458 1.00 0.00 C ATOM 569 C ALA A 63 -8.806 0.447 -2.897 1.00 0.00 C ATOM 570 O ALA A 63 -9.800 0.962 -2.395 1.00 0.00 O ATOM 571 CB ALA A 63 -7.117 -0.806 -1.542 1.00 0.00 C ATOM 0 H ALA A 63 -7.123 -2.271 -3.540 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.133 -1.409 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.371 -0.180 -0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.823 -1.795 -1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.290 -0.354 -2.090 1.00 0.00 H new ATOM 577 N GLU A 64 -8.099 1.021 -3.854 1.00 0.00 N ATOM 578 CA GLU A 64 -8.498 2.284 -4.441 1.00 0.00 C ATOM 579 C GLU A 64 -9.565 2.084 -5.519 1.00 0.00 C ATOM 580 O GLU A 64 -10.704 2.521 -5.368 1.00 0.00 O ATOM 581 CB GLU A 64 -7.282 2.979 -5.044 1.00 0.00 C ATOM 582 CG GLU A 64 -7.595 4.324 -5.667 1.00 0.00 C ATOM 583 CD GLU A 64 -6.408 4.900 -6.391 1.00 0.00 C ATOM 584 OE1 GLU A 64 -5.519 5.454 -5.722 1.00 0.00 O1- ATOM 585 OE2 GLU A 64 -6.346 4.774 -7.631 1.00 0.00 O ATOM 0 H GLU A 64 -7.241 0.628 -4.242 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.924 2.904 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.530 3.115 -4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.843 2.331 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.427 4.216 -6.363 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.917 5.017 -4.890 1.00 0.00 H new ATOM 592 N TRP A 65 -9.190 1.375 -6.584 1.00 0.00 N ATOM 593 CA TRP A 65 -9.980 1.331 -7.814 1.00 0.00 C ATOM 594 C TRP A 65 -11.355 0.689 -7.614 1.00 0.00 C ATOM 595 O TRP A 65 -12.270 0.926 -8.397 1.00 0.00 O ATOM 596 CB TRP A 65 -9.216 0.578 -8.899 1.00 0.00 C ATOM 597 CG TRP A 65 -9.061 1.371 -10.158 1.00 0.00 C ATOM 598 CD1 TRP A 65 -8.066 2.260 -10.447 1.00 0.00 C ATOM 599 CD2 TRP A 65 -9.931 1.357 -11.294 1.00 0.00 C ATOM 600 NE1 TRP A 65 -8.260 2.794 -11.695 1.00 0.00 N ATOM 601 CE2 TRP A 65 -9.399 2.257 -12.236 1.00 0.00 C ATOM 602 CE3 TRP A 65 -11.107 0.669 -11.607 1.00 0.00 C ATOM 603 CZ2 TRP A 65 -10.003 2.486 -13.470 1.00 0.00 C ATOM 604 CZ3 TRP A 65 -11.705 0.898 -12.832 1.00 0.00 C ATOM 605 CH2 TRP A 65 -11.152 1.799 -13.750 1.00 0.00 C ATOM 0 H TRP A 65 -8.336 0.819 -6.619 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.147 2.364 -8.119 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -8.230 0.309 -8.521 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.737 -0.353 -9.124 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.246 2.507 -9.789 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.655 3.479 -12.147 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -11.540 -0.028 -10.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.579 3.181 -14.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -12.614 0.373 -13.085 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -11.643 1.955 -14.699 1.00 0.00 H new ATOM 616 N GLN A 66 -11.490 -0.126 -6.580 1.00 0.00 N ATOM 617 CA GLN A 66 -12.751 -0.798 -6.291 1.00 0.00 C ATOM 618 C GLN A 66 -13.691 0.113 -5.495 1.00 0.00 C ATOM 619 O GLN A 66 -14.909 0.065 -5.666 1.00 0.00 O ATOM 620 CB GLN A 66 -12.488 -2.104 -5.523 1.00 0.00 C ATOM 621 CG GLN A 66 -13.747 -2.805 -5.043 1.00 0.00 C ATOM 622 CD GLN A 66 -13.457 -4.079 -4.273 1.00 0.00 C ATOM 623 OE1 GLN A 66 -12.380 -4.761 -4.632 1.00 0.00 O flip ATOM 624 NE2 GLN A 66 -14.200 -4.453 -3.366 1.00 0.00 N flip ATOM 0 H GLN A 66 -10.740 -0.340 -5.923 1.00 0.00 H new ATOM 0 HA GLN A 66 -13.238 -1.036 -7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.929 -2.784 -6.165 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.856 -1.886 -4.662 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.316 -2.125 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.375 -3.041 -5.902 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -15.021 -3.900 -3.118 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.995 -5.316 -2.862 1.00 0.00 H new ATOM 633 N TYR A 67 -13.120 0.957 -4.642 1.00 0.00 N ATOM 634 CA TYR A 67 -13.914 1.780 -3.731 1.00 0.00 C ATOM 635 C TYR A 67 -14.183 3.175 -4.283 1.00 0.00 C ATOM 636 O TYR A 67 -15.249 3.748 -4.042 1.00 0.00 O ATOM 637 CB TYR A 67 -13.216 1.890 -2.376 1.00 0.00 C ATOM 638 CG TYR A 67 -13.341 0.646 -1.529 1.00 0.00 C ATOM 639 CD1 TYR A 67 -12.457 -0.411 -1.678 1.00 0.00 C ATOM 640 CD2 TYR A 67 -14.345 0.533 -0.576 1.00 0.00 C ATOM 641 CE1 TYR A 67 -12.569 -1.546 -0.903 1.00 0.00 C ATOM 642 CE2 TYR A 67 -14.461 -0.599 0.204 1.00 0.00 C ATOM 643 CZ TYR A 67 -13.569 -1.635 0.038 1.00 0.00 C ATOM 644 OH TYR A 67 -13.678 -2.767 0.814 1.00 0.00 O ATOM 0 H TYR A 67 -12.112 1.090 -4.561 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.877 1.283 -3.616 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.160 2.105 -2.537 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.634 2.735 -1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.668 -0.345 -2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.046 1.344 -0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -11.874 -2.362 -1.034 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -15.247 -0.672 0.941 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.971 -3.400 0.570 1.00 0.00 H new ATOM 654 N VAL A 68 -13.235 3.721 -5.032 1.00 0.00 N ATOM 655 CA VAL A 68 -13.357 5.092 -5.520 1.00 0.00 C ATOM 656 C VAL A 68 -14.556 5.314 -6.467 1.00 0.00 C ATOM 657 O VAL A 68 -15.151 6.389 -6.421 1.00 0.00 O ATOM 658 CB VAL A 68 -12.049 5.622 -6.160 1.00 0.00 C ATOM 659 CG1 VAL A 68 -10.939 5.658 -5.121 1.00 0.00 C ATOM 660 CG2 VAL A 68 -11.623 4.801 -7.366 1.00 0.00 C ATOM 0 H VAL A 68 -12.379 3.243 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.553 5.679 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.245 6.633 -6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.023 6.032 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.229 6.316 -4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.768 4.653 -4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.702 5.212 -7.779 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.455 3.768 -7.062 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.406 4.834 -8.123 1.00 0.00 H new ATOM 670 N PRO A 69 -14.968 4.332 -7.320 1.00 0.00 N ATOM 671 CA PRO A 69 -16.155 4.503 -8.170 1.00 0.00 C ATOM 672 C PRO A 69 -17.439 4.600 -7.351 1.00 0.00 C ATOM 673 O PRO A 69 -18.479 5.022 -7.853 1.00 0.00 O ATOM 674 CB PRO A 69 -16.177 3.242 -9.040 1.00 0.00 C ATOM 675 CG PRO A 69 -15.395 2.239 -8.273 1.00 0.00 C ATOM 676 CD PRO A 69 -14.331 3.020 -7.560 1.00 0.00 C ATOM 0 HA PRO A 69 -16.104 5.426 -8.747 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.197 2.899 -9.214 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -15.732 3.428 -10.017 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -16.029 1.704 -7.566 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.957 1.493 -8.936 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.038 2.539 -6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.430 3.116 -8.166 1.00 0.00 H new ATOM 684 N ALA A 70 -17.358 4.211 -6.085 1.00 0.00 N ATOM 685 CA ALA A 70 -18.503 4.277 -5.190 1.00 0.00 C ATOM 686 C ALA A 70 -18.459 5.549 -4.350 1.00 0.00 C ATOM 687 O ALA A 70 -19.275 5.739 -3.448 1.00 0.00 O ATOM 688 CB ALA A 70 -18.544 3.046 -4.297 1.00 0.00 C ATOM 0 H ALA A 70 -16.508 3.846 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 70 -19.412 4.300 -5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -19.405 3.107 -3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -18.625 2.151 -4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -17.631 2.996 -3.704 1.00 0.00 H new ATOM 694 N GLY A 71 -17.499 6.415 -4.650 1.00 0.00 N ATOM 695 CA GLY A 71 -17.380 7.671 -3.935 1.00 0.00 C ATOM 696 C GLY A 71 -16.509 7.555 -2.700 1.00 0.00 C ATOM 697 O GLY A 71 -16.442 8.477 -1.887 1.00 0.00 O ATOM 0 H GLY A 71 -16.799 6.269 -5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.962 8.426 -4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.372 8.016 -3.645 1.00 0.00 H new ATOM 701 N PHE A 72 -15.839 6.423 -2.558 1.00 0.00 N ATOM 702 CA PHE A 72 -14.977 6.188 -1.412 1.00 0.00 C ATOM 703 C PHE A 72 -13.523 6.452 -1.760 1.00 0.00 C ATOM 704 O PHE A 72 -12.816 5.557 -2.223 1.00 0.00 O ATOM 705 CB PHE A 72 -15.134 4.752 -0.909 1.00 0.00 C ATOM 706 CG PHE A 72 -16.428 4.508 -0.200 1.00 0.00 C ATOM 707 CD1 PHE A 72 -17.567 4.158 -0.904 1.00 0.00 C ATOM 708 CD2 PHE A 72 -16.505 4.638 1.173 1.00 0.00 C ATOM 709 CE1 PHE A 72 -18.764 3.944 -0.250 1.00 0.00 C ATOM 710 CE2 PHE A 72 -17.698 4.424 1.836 1.00 0.00 C ATOM 711 CZ PHE A 72 -18.830 4.079 1.123 1.00 0.00 C ATOM 0 H PHE A 72 -15.876 5.651 -3.224 1.00 0.00 H new ATOM 0 HA PHE A 72 -15.277 6.878 -0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -15.057 4.069 -1.755 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -14.310 4.519 -0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -17.519 4.051 -1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -15.623 4.910 1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -19.646 3.672 -0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -17.746 4.526 2.910 1.00 0.00 H new ATOM 0 HZ PHE A 72 -19.765 3.915 1.638 1.00 0.00 H new ATOM 721 N GLU A 73 -13.072 7.680 -1.550 1.00 0.00 N ATOM 722 CA GLU A 73 -11.675 7.990 -1.766 1.00 0.00 C ATOM 723 C GLU A 73 -10.851 7.512 -0.586 1.00 0.00 C ATOM 724 O GLU A 73 -10.978 8.020 0.532 1.00 0.00 O ATOM 725 CB GLU A 73 -11.431 9.483 -1.992 1.00 0.00 C ATOM 726 CG GLU A 73 -9.949 9.805 -2.160 1.00 0.00 C ATOM 727 CD GLU A 73 -9.661 11.280 -2.315 1.00 0.00 C ATOM 728 OE1 GLU A 73 -10.212 12.082 -1.535 1.00 0.00 O ATOM 729 OE2 GLU A 73 -8.845 11.638 -3.188 1.00 0.00 O1- ATOM 0 H GLU A 73 -13.645 8.463 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.369 7.470 -2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.975 9.808 -2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.830 10.047 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.404 9.426 -1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.568 9.276 -3.034 1.00 0.00 H new ATOM 736 N VAL A 74 -10.033 6.511 -0.848 1.00 0.00 N ATOM 737 CA VAL A 74 -9.085 6.000 0.125 1.00 0.00 C ATOM 738 C VAL A 74 -8.167 7.117 0.627 1.00 0.00 C ATOM 739 O VAL A 74 -7.900 8.084 -0.092 1.00 0.00 O ATOM 740 CB VAL A 74 -8.220 4.895 -0.511 1.00 0.00 C ATOM 741 CG1 VAL A 74 -9.069 3.690 -0.867 1.00 0.00 C ATOM 742 CG2 VAL A 74 -7.516 5.417 -1.757 1.00 0.00 C ATOM 0 H VAL A 74 -10.007 6.027 -1.745 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.650 5.595 0.964 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.469 4.593 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.440 2.921 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.537 3.296 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.841 3.986 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.910 4.622 -2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.259 5.746 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.875 6.256 -1.488 1.00 0.00 H new ATOM 752 N THR A 75 -7.697 6.987 1.855 1.00 0.00 N ATOM 753 CA THR A 75 -6.761 7.940 2.427 1.00 0.00 C ATOM 754 C THR A 75 -5.446 7.247 2.782 1.00 0.00 C ATOM 755 O THR A 75 -4.377 7.645 2.324 1.00 0.00 O ATOM 756 CB THR A 75 -7.349 8.611 3.683 1.00 0.00 C ATOM 757 OG1 THR A 75 -7.897 7.614 4.554 1.00 0.00 O ATOM 758 CG2 THR A 75 -8.431 9.613 3.309 1.00 0.00 C ATOM 0 H THR A 75 -7.951 6.223 2.481 1.00 0.00 H new ATOM 0 HA THR A 75 -6.572 8.710 1.679 1.00 0.00 H new ATOM 0 HB THR A 75 -6.547 9.144 4.194 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.268 8.045 5.352 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.830 10.073 4.213 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.006 10.385 2.667 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.234 9.101 2.778 1.00 0.00 H new ATOM 766 N ARG A 76 -5.540 6.196 3.579 1.00 0.00 N ATOM 767 CA ARG A 76 -4.378 5.412 3.976 1.00 0.00 C ATOM 768 C ARG A 76 -4.725 3.931 3.928 1.00 0.00 C ATOM 769 O ARG A 76 -5.896 3.581 3.871 1.00 0.00 O ATOM 770 CB ARG A 76 -3.926 5.801 5.388 1.00 0.00 C ATOM 771 CG ARG A 76 -3.356 7.204 5.491 1.00 0.00 C ATOM 772 CD ARG A 76 -2.803 7.484 6.879 1.00 0.00 C ATOM 773 NE ARG A 76 -1.755 6.537 7.258 1.00 0.00 N ATOM 774 CZ ARG A 76 -1.000 6.657 8.349 1.00 0.00 C ATOM 775 NH1 ARG A 76 -1.157 7.695 9.164 1.00 0.00 N1+ ATOM 776 NH2 ARG A 76 -0.082 5.741 8.620 1.00 0.00 N ATOM 0 H ARG A 76 -6.421 5.861 3.969 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.560 5.615 3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.775 5.714 6.066 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.173 5.089 5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.565 7.331 4.752 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.133 7.931 5.255 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.403 8.498 6.911 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.613 7.437 7.607 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.592 5.735 6.649 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.859 8.405 8.956 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.576 7.781 9.998 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.046 4.946 7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.497 5.831 9.455 1.00 0.00 H new ATOM 790 N VAL A 77 -3.722 3.061 3.920 1.00 0.00 N ATOM 791 CA VAL A 77 -3.970 1.621 3.942 1.00 0.00 C ATOM 792 C VAL A 77 -2.952 0.909 4.820 1.00 0.00 C ATOM 793 O VAL A 77 -1.865 1.428 5.074 1.00 0.00 O ATOM 794 CB VAL A 77 -3.927 0.975 2.534 1.00 0.00 C ATOM 795 CG1 VAL A 77 -4.919 1.630 1.586 1.00 0.00 C ATOM 796 CG2 VAL A 77 -2.521 1.020 1.957 1.00 0.00 C ATOM 0 H VAL A 77 -2.736 3.323 3.899 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.976 1.504 4.344 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.218 -0.069 2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.860 1.150 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.928 1.521 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.681 2.689 1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.518 0.560 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.194 2.057 1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.841 0.475 2.612 1.00 0.00 H new ATOM 806 N ARG A 78 -3.320 -0.275 5.285 1.00 0.00 N ATOM 807 CA ARG A 78 -2.408 -1.143 6.016 1.00 0.00 C ATOM 808 C ARG A 78 -2.674 -2.600 5.661 1.00 0.00 C ATOM 809 O ARG A 78 -3.516 -3.258 6.273 1.00 0.00 O ATOM 810 CB ARG A 78 -2.522 -0.933 7.529 1.00 0.00 C ATOM 811 CG ARG A 78 -1.703 0.242 8.040 1.00 0.00 C ATOM 812 CD ARG A 78 -0.214 -0.004 7.849 1.00 0.00 C ATOM 813 NE ARG A 78 0.467 1.165 7.302 1.00 0.00 N ATOM 814 CZ ARG A 78 1.204 1.146 6.190 1.00 0.00 C ATOM 815 NH1 ARG A 78 1.449 0.002 5.561 1.00 0.00 N1+ ATOM 816 NH2 ARG A 78 1.724 2.270 5.718 1.00 0.00 N ATOM 0 H ARG A 78 -4.257 -0.661 5.167 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.391 -0.884 5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.569 -0.776 7.789 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.199 -1.840 8.039 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.995 1.150 7.512 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.915 0.405 9.097 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.235 -0.271 8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.069 -0.853 7.181 1.00 0.00 H new ATOM 0 HE ARG A 78 0.374 2.050 7.800 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.073 -0.872 5.927 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.014 -0.002 4.711 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.561 3.151 6.205 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.287 2.254 4.868 1.00 0.00 H new ATOM 830 N PRO A 79 -1.983 -3.110 4.633 1.00 0.00 N ATOM 831 CA PRO A 79 -2.090 -4.504 4.221 1.00 0.00 C ATOM 832 C PRO A 79 -1.287 -5.428 5.133 1.00 0.00 C ATOM 833 O PRO A 79 -0.100 -5.198 5.370 1.00 0.00 O ATOM 834 CB PRO A 79 -1.500 -4.515 2.799 1.00 0.00 C ATOM 835 CG PRO A 79 -1.173 -3.092 2.470 1.00 0.00 C ATOM 836 CD PRO A 79 -1.051 -2.370 3.779 1.00 0.00 C ATOM 0 HA PRO A 79 -3.118 -4.864 4.267 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.608 -5.140 2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.214 -4.925 2.085 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -0.244 -3.028 1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.954 -2.647 1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.033 -2.401 4.167 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.327 -1.319 3.691 1.00 0.00 H new ATOM 844 N CYS A 80 -1.933 -6.465 5.641 1.00 0.00 N ATOM 845 CA CYS A 80 -1.259 -7.439 6.481 1.00 0.00 C ATOM 846 C CYS A 80 -0.939 -8.692 5.675 1.00 0.00 C ATOM 847 O CYS A 80 -1.836 -9.446 5.287 1.00 0.00 O ATOM 848 CB CYS A 80 -2.122 -7.785 7.697 1.00 0.00 C ATOM 849 SG CYS A 80 -2.560 -6.357 8.719 1.00 0.00 S ATOM 0 H CYS A 80 -2.923 -6.653 5.486 1.00 0.00 H new ATOM 0 HA CYS A 80 -0.324 -7.007 6.839 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.037 -8.268 7.355 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.590 -8.510 8.313 1.00 0.00 H new ATOM 0 HG CYS A 80 -3.785 -6.002 8.467 1.00 0.00 H new ATOM 943 N ILE B 26 9.672 5.269 8.051 1.00 0.00 N ATOM 944 CA ILE B 26 9.787 5.941 6.764 1.00 0.00 C ATOM 945 C ILE B 26 10.903 5.281 5.977 1.00 0.00 C ATOM 946 O ILE B 26 12.020 5.798 5.890 1.00 0.00 O ATOM 947 CB ILE B 26 10.075 7.453 6.916 1.00 0.00 C ATOM 948 CG1 ILE B 26 9.170 8.077 7.986 1.00 0.00 C ATOM 949 CG2 ILE B 26 9.873 8.168 5.585 1.00 0.00 C ATOM 950 CD1 ILE B 26 7.690 7.911 7.709 1.00 0.00 C ATOM 0 HA ILE B 26 8.835 5.849 6.241 1.00 0.00 H new ATOM 0 HB ILE B 26 11.113 7.569 7.229 1.00 0.00 H new ATOM 0 HG12 ILE B 26 9.402 7.627 8.952 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.398 9.140 8.066 1.00 0.00 H new ATOM 0 HG21 ILE B 26 10.079 9.231 5.708 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.551 7.750 4.841 1.00 0.00 H new ATOM 0 HG23 ILE B 26 8.844 8.034 5.253 1.00 0.00 H new ATOM 0 HD11 ILE B 26 7.115 8.378 8.509 1.00 0.00 H new ATOM 0 HD12 ILE B 26 7.442 8.386 6.760 1.00 0.00 H new ATOM 0 HD13 ILE B 26 7.446 6.850 7.659 1.00 0.00 H new ATOM 962 N LEU B 27 10.600 4.117 5.425 1.00 0.00 N ATOM 963 CA LEU B 27 11.621 3.287 4.819 1.00 0.00 C ATOM 964 C LEU B 27 11.025 2.318 3.814 1.00 0.00 C ATOM 965 O LEU B 27 9.807 2.225 3.664 1.00 0.00 O ATOM 966 CB LEU B 27 12.365 2.520 5.920 1.00 0.00 C ATOM 967 CG LEU B 27 11.477 1.716 6.879 1.00 0.00 C ATOM 968 CD1 LEU B 27 11.212 0.316 6.350 1.00 0.00 C ATOM 969 CD2 LEU B 27 12.102 1.661 8.259 1.00 0.00 C ATOM 0 H LEU B 27 9.657 3.729 5.385 1.00 0.00 H new ATOM 0 HA LEU B 27 12.317 3.930 4.280 1.00 0.00 H new ATOM 0 HB2 LEU B 27 13.072 1.838 5.449 1.00 0.00 H new ATOM 0 HB3 LEU B 27 12.949 3.232 6.504 1.00 0.00 H new ATOM 0 HG LEU B 27 10.516 2.226 6.953 1.00 0.00 H new ATOM 0 HD11 LEU B 27 10.580 -0.225 7.054 1.00 0.00 H new ATOM 0 HD12 LEU B 27 10.708 0.381 5.386 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.158 -0.213 6.230 1.00 0.00 H new ATOM 0 HD21 LEU B 27 11.459 1.087 8.927 1.00 0.00 H new ATOM 0 HD22 LEU B 27 13.080 1.183 8.197 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.217 2.673 8.647 1.00 0.00 H new ATOM 981 N ALA B 28 11.901 1.625 3.109 1.00 0.00 N ATOM 982 CA ALA B 28 11.500 0.530 2.252 1.00 0.00 C ATOM 983 C ALA B 28 11.549 -0.757 3.059 1.00 0.00 C ATOM 984 O ALA B 28 12.609 -1.130 3.560 1.00 0.00 O ATOM 985 CB ALA B 28 12.416 0.445 1.040 1.00 0.00 C ATOM 0 H ALA B 28 12.905 1.806 3.116 1.00 0.00 H new ATOM 0 HA ALA B 28 10.485 0.693 1.888 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.102 -0.383 0.404 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.361 1.376 0.476 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.442 0.281 1.370 1.00 0.00 H new ATOM 991 N GLU B 29 10.406 -1.418 3.210 1.00 0.00 N ATOM 992 CA GLU B 29 10.321 -2.604 4.058 1.00 0.00 C ATOM 993 C GLU B 29 11.065 -3.777 3.418 1.00 0.00 C ATOM 994 O GLU B 29 11.278 -4.815 4.042 1.00 0.00 O ATOM 995 CB GLU B 29 8.857 -2.970 4.327 1.00 0.00 C ATOM 996 CG GLU B 29 8.679 -3.882 5.530 1.00 0.00 C ATOM 997 CD GLU B 29 7.230 -4.174 5.856 1.00 0.00 C ATOM 998 OE1 GLU B 29 6.600 -3.369 6.572 1.00 0.00 O1- ATOM 999 OE2 GLU B 29 6.720 -5.223 5.416 1.00 0.00 O ATOM 0 H GLU B 29 9.529 -1.155 2.759 1.00 0.00 H new ATOM 0 HA GLU B 29 10.797 -2.380 5.013 1.00 0.00 H new ATOM 0 HB2 GLU B 29 8.284 -2.056 4.484 1.00 0.00 H new ATOM 0 HB3 GLU B 29 8.443 -3.458 3.445 1.00 0.00 H new ATOM 0 HG2 GLU B 29 9.198 -4.822 5.343 1.00 0.00 H new ATOM 0 HG3 GLU B 29 9.153 -3.423 6.398 1.00 0.00 H new ATOM 1006 N ILE B 30 11.458 -3.593 2.168 1.00 0.00 N ATOM 1007 CA ILE B 30 12.270 -4.562 1.451 1.00 0.00 C ATOM 1008 C ILE B 30 13.317 -3.834 0.624 1.00 0.00 C ATOM 1009 O ILE B 30 13.102 -2.695 0.204 1.00 0.00 O ATOM 1010 CB ILE B 30 11.419 -5.453 0.522 1.00 0.00 C ATOM 1011 CG1 ILE B 30 10.496 -4.592 -0.343 1.00 0.00 C ATOM 1012 CG2 ILE B 30 10.617 -6.462 1.333 1.00 0.00 C ATOM 1013 CD1 ILE B 30 9.725 -5.380 -1.375 1.00 0.00 C ATOM 0 H ILE B 30 11.222 -2.765 1.621 1.00 0.00 H new ATOM 0 HA ILE B 30 12.747 -5.205 2.190 1.00 0.00 H new ATOM 0 HB ILE B 30 12.089 -6.006 -0.137 1.00 0.00 H new ATOM 0 HG12 ILE B 30 9.791 -4.068 0.303 1.00 0.00 H new ATOM 0 HG13 ILE B 30 11.091 -3.832 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE B 30 10.024 -7.081 0.660 1.00 0.00 H new ATOM 0 HG22 ILE B 30 11.298 -7.095 1.902 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.955 -5.934 2.019 1.00 0.00 H new ATOM 0 HD11 ILE B 30 9.092 -4.704 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE B 30 10.423 -5.883 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE B 30 9.103 -6.123 -0.876 1.00 0.00 H new ATOM 1025 N SER B 31 14.451 -4.476 0.409 1.00 0.00 N ATOM 1026 CA SER B 31 15.523 -3.876 -0.362 1.00 0.00 C ATOM 1027 C SER B 31 15.271 -4.064 -1.843 1.00 0.00 C ATOM 1028 O SER B 31 14.996 -5.171 -2.317 1.00 0.00 O ATOM 1029 CB SER B 31 16.864 -4.492 -0.005 1.00 0.00 C ATOM 1030 OG SER B 31 17.945 -3.773 -0.575 1.00 0.00 O ATOM 0 H SER B 31 14.653 -5.413 0.758 1.00 0.00 H new ATOM 0 HA SER B 31 15.548 -2.813 -0.124 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.975 -4.516 1.079 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.893 -5.525 -0.351 1.00 0.00 H new ATOM 0 HG SER B 31 18.740 -4.345 -0.602 1.00 0.00 H new ATOM 1036 N GLY B 32 15.403 -2.984 -2.563 1.00 0.00 N ATOM 1037 CA GLY B 32 15.154 -2.995 -3.979 1.00 0.00 C ATOM 1038 C GLY B 32 14.983 -1.608 -4.541 1.00 0.00 C ATOM 1039 O GLY B 32 15.593 -0.652 -4.062 1.00 0.00 O ATOM 0 H GLY B 32 15.684 -2.078 -2.189 1.00 0.00 H new ATOM 0 HA2 GLY B 32 15.981 -3.491 -4.487 1.00 0.00 H new ATOM 0 HA3 GLY B 32 14.257 -3.580 -4.183 1.00 0.00 H new ATOM 1043 N ILE B 33 14.164 -1.510 -5.567 1.00 0.00 N ATOM 1044 CA ILE B 33 13.905 -0.253 -6.231 1.00 0.00 C ATOM 1045 C ILE B 33 12.514 0.260 -5.875 1.00 0.00 C ATOM 1046 O ILE B 33 11.512 -0.369 -6.211 1.00 0.00 O ATOM 1047 CB ILE B 33 14.009 -0.415 -7.760 1.00 0.00 C ATOM 1048 CG1 ILE B 33 15.339 -1.073 -8.142 1.00 0.00 C ATOM 1049 CG2 ILE B 33 13.856 0.928 -8.455 1.00 0.00 C ATOM 1050 CD1 ILE B 33 16.561 -0.229 -7.835 1.00 0.00 C ATOM 0 H ILE B 33 13.659 -2.302 -5.964 1.00 0.00 H new ATOM 0 HA ILE B 33 14.653 0.465 -5.895 1.00 0.00 H new ATOM 0 HB ILE B 33 13.198 -1.063 -8.091 1.00 0.00 H new ATOM 0 HG12 ILE B 33 15.426 -2.023 -7.615 1.00 0.00 H new ATOM 0 HG13 ILE B 33 15.326 -1.300 -9.208 1.00 0.00 H new ATOM 0 HG21 ILE B 33 13.933 0.790 -9.534 1.00 0.00 H new ATOM 0 HG22 ILE B 33 12.883 1.355 -8.212 1.00 0.00 H new ATOM 0 HG23 ILE B 33 14.643 1.603 -8.119 1.00 0.00 H new ATOM 0 HD11 ILE B 33 17.460 -0.767 -8.136 1.00 0.00 H new ATOM 0 HD12 ILE B 33 16.501 0.711 -8.383 1.00 0.00 H new ATOM 0 HD13 ILE B 33 16.602 -0.024 -6.765 1.00 0.00 H new ATOM 1062 N VAL B 34 12.454 1.384 -5.180 1.00 0.00 N ATOM 1063 CA VAL B 34 11.179 2.019 -4.885 1.00 0.00 C ATOM 1064 C VAL B 34 10.601 2.577 -6.163 1.00 0.00 C ATOM 1065 O VAL B 34 11.277 3.308 -6.866 1.00 0.00 O ATOM 1066 CB VAL B 34 11.318 3.183 -3.882 1.00 0.00 C ATOM 1067 CG1 VAL B 34 9.956 3.778 -3.546 1.00 0.00 C ATOM 1068 CG2 VAL B 34 12.036 2.731 -2.627 1.00 0.00 C ATOM 0 H VAL B 34 13.269 1.874 -4.811 1.00 0.00 H new ATOM 0 HA VAL B 34 10.534 1.259 -4.444 1.00 0.00 H new ATOM 0 HB VAL B 34 11.918 3.963 -4.351 1.00 0.00 H new ATOM 0 HG11 VAL B 34 10.081 4.597 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL B 34 9.489 4.154 -4.456 1.00 0.00 H new ATOM 0 HG13 VAL B 34 9.322 3.009 -3.104 1.00 0.00 H new ATOM 0 HG21 VAL B 34 12.122 3.569 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL B 34 11.472 1.927 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL B 34 13.032 2.372 -2.887 1.00 0.00 H new ATOM 1078 N SER B 35 9.378 2.219 -6.483 1.00 0.00 N ATOM 1079 CA SER B 35 8.720 2.797 -7.632 1.00 0.00 C ATOM 1080 C SER B 35 7.297 3.182 -7.278 1.00 0.00 C ATOM 1081 O SER B 35 6.747 2.714 -6.280 1.00 0.00 O ATOM 1082 CB SER B 35 8.764 1.842 -8.828 1.00 0.00 C ATOM 1083 OG SER B 35 8.392 0.519 -8.465 1.00 0.00 O ATOM 0 H SER B 35 8.823 1.536 -5.968 1.00 0.00 H new ATOM 0 HA SER B 35 9.254 3.702 -7.923 1.00 0.00 H new ATOM 0 HB2 SER B 35 8.095 2.206 -9.608 1.00 0.00 H new ATOM 0 HB3 SER B 35 9.769 1.834 -9.249 1.00 0.00 H new ATOM 0 HG SER B 35 8.372 0.441 -7.488 1.00 0.00 H new ATOM 1089 N PHE B 36 6.715 4.056 -8.075 1.00 0.00 N ATOM 1090 CA PHE B 36 5.377 4.534 -7.812 1.00 0.00 C ATOM 1091 C PHE B 36 4.497 4.355 -9.036 1.00 0.00 C ATOM 1092 O PHE B 36 4.992 4.223 -10.156 1.00 0.00 O ATOM 1093 CB PHE B 36 5.404 6.001 -7.376 1.00 0.00 C ATOM 1094 CG PHE B 36 6.075 6.227 -6.047 1.00 0.00 C ATOM 1095 CD1 PHE B 36 5.578 5.637 -4.896 1.00 0.00 C ATOM 1096 CD2 PHE B 36 7.194 7.035 -5.945 1.00 0.00 C ATOM 1097 CE1 PHE B 36 6.183 5.848 -3.673 1.00 0.00 C ATOM 1098 CE2 PHE B 36 7.802 7.250 -4.725 1.00 0.00 C ATOM 1099 CZ PHE B 36 7.295 6.657 -3.588 1.00 0.00 C ATOM 0 H PHE B 36 7.150 4.448 -8.910 1.00 0.00 H new ATOM 0 HA PHE B 36 4.956 3.944 -6.998 1.00 0.00 H new ATOM 0 HB2 PHE B 36 5.919 6.587 -8.137 1.00 0.00 H new ATOM 0 HB3 PHE B 36 4.381 6.374 -7.324 1.00 0.00 H new ATOM 0 HD1 PHE B 36 4.705 5.003 -4.956 1.00 0.00 H new ATOM 0 HD2 PHE B 36 7.596 7.503 -6.831 1.00 0.00 H new ATOM 0 HE1 PHE B 36 5.785 5.380 -2.785 1.00 0.00 H new ATOM 0 HE2 PHE B 36 8.675 7.883 -4.661 1.00 0.00 H new ATOM 0 HZ PHE B 36 7.769 6.826 -2.632 1.00 0.00 H new ATOM 1109 N GLY B 37 3.198 4.343 -8.812 1.00 0.00 N ATOM 1110 CA GLY B 37 2.251 4.158 -9.890 1.00 0.00 C ATOM 1111 C GLY B 37 1.011 5.001 -9.697 1.00 0.00 C ATOM 1112 O GLY B 37 1.036 5.962 -8.920 1.00 0.00 O ATOM 0 H GLY B 37 2.775 4.459 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY B 37 2.723 4.417 -10.838 1.00 0.00 H new ATOM 0 HA3 GLY B 37 1.970 3.107 -9.951 1.00 0.00 H new ATOM 1116 N LYS B 38 -0.081 4.608 -10.356 1.00 0.00 N ATOM 1117 CA LYS B 38 -1.310 5.397 -10.366 1.00 0.00 C ATOM 1118 C LYS B 38 -1.785 5.695 -8.950 1.00 0.00 C ATOM 1119 O LYS B 38 -1.688 4.850 -8.054 1.00 0.00 O ATOM 1120 CB LYS B 38 -2.413 4.682 -11.182 1.00 0.00 C ATOM 1121 CG LYS B 38 -2.907 3.358 -10.606 1.00 0.00 C ATOM 1122 CD LYS B 38 -3.872 3.553 -9.451 1.00 0.00 C ATOM 1123 CE LYS B 38 -4.241 2.235 -8.807 1.00 0.00 C ATOM 1124 NZ LYS B 38 -5.073 2.438 -7.595 1.00 0.00 N1+ ATOM 0 H LYS B 38 -0.137 3.742 -10.892 1.00 0.00 H new ATOM 0 HA LYS B 38 -1.093 6.350 -10.849 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -3.264 5.356 -11.277 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -2.036 4.501 -12.189 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -3.397 2.783 -11.392 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -2.053 2.771 -10.267 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -3.422 4.209 -8.706 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -4.774 4.049 -9.809 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -4.783 1.618 -9.523 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -3.334 1.692 -8.541 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -5.517 1.538 -7.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -4.474 2.777 -6.815 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -5.812 3.142 -7.795 1.00 0.00 H new ATOM 1138 N GLU B 39 -2.258 6.906 -8.742 1.00 0.00 N ATOM 1139 CA GLU B 39 -2.811 7.285 -7.462 1.00 0.00 C ATOM 1140 C GLU B 39 -4.164 7.966 -7.614 1.00 0.00 C ATOM 1141 O GLU B 39 -4.525 8.408 -8.707 1.00 0.00 O ATOM 1142 CB GLU B 39 -1.828 8.148 -6.671 1.00 0.00 C ATOM 1143 CG GLU B 39 -0.899 9.014 -7.513 1.00 0.00 C ATOM 1144 CD GLU B 39 -1.611 10.150 -8.210 1.00 0.00 C ATOM 1145 OE1 GLU B 39 -1.859 11.187 -7.557 1.00 0.00 O1- ATOM 1146 OE2 GLU B 39 -1.916 10.016 -9.411 1.00 0.00 O ATOM 0 H GLU B 39 -2.270 7.645 -9.445 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.978 6.371 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.395 8.796 -6.002 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.221 7.496 -6.044 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -0.116 9.422 -6.874 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.408 8.389 -8.259 1.00 0.00 H new ATOM 1153 N THR B 40 -4.917 8.010 -6.527 1.00 0.00 N ATOM 1154 CA THR B 40 -6.260 8.569 -6.530 1.00 0.00 C ATOM 1155 C THR B 40 -6.250 10.028 -6.975 1.00 0.00 C ATOM 1156 O THR B 40 -6.728 10.371 -8.059 1.00 0.00 O ATOM 1157 CB THR B 40 -6.879 8.484 -5.126 1.00 0.00 C ATOM 1158 OG1 THR B 40 -6.165 7.520 -4.332 1.00 0.00 O ATOM 1159 CG2 THR B 40 -8.345 8.093 -5.207 1.00 0.00 C ATOM 0 H THR B 40 -4.615 7.660 -5.618 1.00 0.00 H new ATOM 0 HA THR B 40 -6.854 7.986 -7.234 1.00 0.00 H new ATOM 0 HB THR B 40 -6.805 9.466 -4.659 1.00 0.00 H new ATOM 0 HG1 THR B 40 -6.238 6.635 -4.747 1.00 0.00 H new ATOM 0 HG21 THR B 40 -8.763 8.039 -4.202 1.00 0.00 H new ATOM 0 HG22 THR B 40 -8.889 8.839 -5.787 1.00 0.00 H new ATOM 0 HG23 THR B 40 -8.436 7.121 -5.691 1.00 0.00 H new ATOM 1167 N LYS B 41 -5.694 10.867 -6.121 1.00 0.00 N ATOM 1168 CA LYS B 41 -5.593 12.292 -6.373 1.00 0.00 C ATOM 1169 C LYS B 41 -4.497 12.855 -5.483 1.00 0.00 C ATOM 1170 O LYS B 41 -3.559 13.498 -5.953 1.00 0.00 O ATOM 1171 CB LYS B 41 -6.934 12.974 -6.085 1.00 0.00 C ATOM 1172 CG LYS B 41 -6.944 14.468 -6.354 1.00 0.00 C ATOM 1173 CD LYS B 41 -8.307 15.072 -6.060 1.00 0.00 C ATOM 1174 CE LYS B 41 -8.306 16.585 -6.228 1.00 0.00 C ATOM 1175 NZ LYS B 41 -7.953 16.997 -7.613 1.00 0.00 N1+ ATOM 0 H LYS B 41 -5.297 10.577 -5.227 1.00 0.00 H new ATOM 0 HA LYS B 41 -5.346 12.476 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -7.706 12.502 -6.692 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -7.199 12.802 -5.042 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -6.187 14.956 -5.739 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -6.678 14.654 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -9.050 14.633 -6.726 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -8.604 14.820 -5.042 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -9.291 16.978 -5.974 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -7.597 17.026 -5.528 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -8.096 18.022 -7.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -6.957 16.765 -7.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -8.559 16.492 -8.291 1.00 0.00 H new ATOM 1189 N GLY B 42 -4.616 12.574 -4.194 1.00 0.00 N ATOM 1190 CA GLY B 42 -3.586 12.942 -3.247 1.00 0.00 C ATOM 1191 C GLY B 42 -2.889 11.718 -2.687 1.00 0.00 C ATOM 1192 O GLY B 42 -2.480 11.693 -1.531 1.00 0.00 O ATOM 0 H GLY B 42 -5.417 12.093 -3.785 1.00 0.00 H new ATOM 0 HA2 GLY B 42 -2.855 13.588 -3.734 1.00 0.00 H new ATOM 0 HA3 GLY B 42 -4.027 13.517 -2.432 1.00 0.00 H new ATOM 1196 N LYS B 43 -2.751 10.694 -3.509 1.00 0.00 N ATOM 1197 CA LYS B 43 -2.129 9.453 -3.076 1.00 0.00 C ATOM 1198 C LYS B 43 -0.849 9.229 -3.869 1.00 0.00 C ATOM 1199 O LYS B 43 -0.443 10.097 -4.638 1.00 0.00 O ATOM 1200 CB LYS B 43 -3.097 8.284 -3.287 1.00 0.00 C ATOM 1201 CG LYS B 43 -2.996 7.191 -2.234 1.00 0.00 C ATOM 1202 CD LYS B 43 -3.447 7.676 -0.869 1.00 0.00 C ATOM 1203 CE LYS B 43 -4.937 7.481 -0.675 1.00 0.00 C ATOM 1204 NZ LYS B 43 -5.751 8.235 -1.667 1.00 0.00 N1+ ATOM 0 H LYS B 43 -3.061 10.696 -4.481 1.00 0.00 H new ATOM 0 HA LYS B 43 -1.886 9.516 -2.015 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -4.117 8.669 -3.298 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -2.911 7.846 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -3.605 6.339 -2.536 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -1.966 6.840 -2.172 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -2.904 7.137 -0.093 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -3.199 8.732 -0.757 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -5.173 6.419 -0.750 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -5.213 7.798 0.331 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -6.736 8.291 -1.337 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -5.366 9.195 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -5.721 7.746 -2.584 1.00 0.00 H new ATOM 1218 N ARG B 44 -0.208 8.089 -3.662 1.00 0.00 N ATOM 1219 CA ARG B 44 0.937 7.690 -4.461 1.00 0.00 C ATOM 1220 C ARG B 44 1.139 6.172 -4.342 1.00 0.00 C ATOM 1221 O ARG B 44 1.338 5.653 -3.248 1.00 0.00 O ATOM 1222 CB ARG B 44 2.173 8.475 -4.009 1.00 0.00 C ATOM 1223 CG ARG B 44 3.432 8.156 -4.796 1.00 0.00 C ATOM 1224 CD ARG B 44 4.500 9.218 -4.594 1.00 0.00 C ATOM 1225 NE ARG B 44 4.146 10.482 -5.240 1.00 0.00 N ATOM 1226 CZ ARG B 44 4.810 11.629 -5.073 1.00 0.00 C ATOM 1227 NH1 ARG B 44 5.859 11.691 -4.262 1.00 0.00 N1+ ATOM 1228 NH2 ARG B 44 4.429 12.712 -5.736 1.00 0.00 N ATOM 0 H ARG B 44 -0.466 7.418 -2.938 1.00 0.00 H new ATOM 0 HA ARG B 44 0.766 7.919 -5.513 1.00 0.00 H new ATOM 0 HB2 ARG B 44 1.964 9.541 -4.095 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.355 8.270 -2.954 1.00 0.00 H new ATOM 0 HG2 ARG B 44 3.820 7.185 -4.486 1.00 0.00 H new ATOM 0 HG3 ARG B 44 3.190 8.079 -5.856 1.00 0.00 H new ATOM 0 HD2 ARG B 44 4.648 9.385 -3.527 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.448 8.859 -4.995 1.00 0.00 H new ATOM 0 HE ARG B 44 3.337 10.488 -5.861 1.00 0.00 H new ATOM 0 HH11 ARG B 44 6.165 10.858 -3.759 1.00 0.00 H new ATOM 0 HH12 ARG B 44 6.359 12.572 -4.142 1.00 0.00 H new ATOM 0 HH21 ARG B 44 3.632 12.667 -6.371 1.00 0.00 H new ATOM 0 HH22 ARG B 44 4.933 13.590 -5.611 1.00 0.00 H new ATOM 1242 N ARG B 45 1.059 5.451 -5.452 1.00 0.00 N ATOM 1243 CA ARG B 45 1.126 3.991 -5.404 1.00 0.00 C ATOM 1244 C ARG B 45 2.541 3.512 -5.074 1.00 0.00 C ATOM 1245 O ARG B 45 3.423 3.545 -5.926 1.00 0.00 O ATOM 1246 CB ARG B 45 0.662 3.397 -6.735 1.00 0.00 C ATOM 1247 CG ARG B 45 0.634 1.879 -6.765 1.00 0.00 C ATOM 1248 CD ARG B 45 0.228 1.356 -8.135 1.00 0.00 C ATOM 1249 NE ARG B 45 0.150 -0.106 -8.174 1.00 0.00 N ATOM 1250 CZ ARG B 45 -0.606 -0.789 -9.039 1.00 0.00 C ATOM 1251 NH1 ARG B 45 -1.309 -0.148 -9.964 1.00 0.00 N1+ ATOM 1252 NH2 ARG B 45 -0.637 -2.113 -9.003 1.00 0.00 N ATOM 0 H ARG B 45 0.949 5.844 -6.387 1.00 0.00 H new ATOM 0 HA ARG B 45 0.462 3.648 -4.611 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -0.337 3.772 -6.958 1.00 0.00 H new ATOM 0 HB3 ARG B 45 1.320 3.752 -7.528 1.00 0.00 H new ATOM 0 HG2 ARG B 45 1.618 1.491 -6.503 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -0.064 1.512 -6.013 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -0.740 1.776 -8.409 1.00 0.00 H new ATOM 0 HD3 ARG B 45 0.947 1.699 -8.879 1.00 0.00 H new ATOM 0 HE ARG B 45 0.706 -0.634 -7.501 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -1.274 0.870 -10.017 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -1.885 -0.673 -10.622 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -0.082 -2.618 -8.312 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -1.216 -2.628 -9.666 1.00 0.00 H new ATOM 1266 N LEU B 46 2.744 3.062 -3.840 1.00 0.00 N ATOM 1267 CA LEU B 46 4.056 2.604 -3.390 1.00 0.00 C ATOM 1268 C LEU B 46 4.275 1.142 -3.761 1.00 0.00 C ATOM 1269 O LEU B 46 3.712 0.238 -3.141 1.00 0.00 O ATOM 1270 CB LEU B 46 4.195 2.782 -1.873 1.00 0.00 C ATOM 1271 CG LEU B 46 5.535 2.333 -1.269 1.00 0.00 C ATOM 1272 CD1 LEU B 46 6.669 3.247 -1.703 1.00 0.00 C ATOM 1273 CD2 LEU B 46 5.447 2.286 0.247 1.00 0.00 C ATOM 0 H LEU B 46 2.014 3.004 -3.130 1.00 0.00 H new ATOM 0 HA LEU B 46 4.813 3.208 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU B 46 4.044 3.835 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU B 46 3.394 2.227 -1.386 1.00 0.00 H new ATOM 0 HG LEU B 46 5.748 1.331 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU B 46 7.603 2.903 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU B 46 6.755 3.229 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU B 46 6.463 4.265 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU B 46 6.405 1.966 0.657 1.00 0.00 H new ATOM 0 HD22 LEU B 46 5.202 3.277 0.628 1.00 0.00 H new ATOM 0 HD23 LEU B 46 4.671 1.581 0.545 1.00 0.00 H new ATOM 1285 N VAL B 47 5.083 0.918 -4.783 1.00 0.00 N ATOM 1286 CA VAL B 47 5.438 -0.430 -5.195 1.00 0.00 C ATOM 1287 C VAL B 47 6.955 -0.598 -5.178 1.00 0.00 C ATOM 1288 O VAL B 47 7.671 0.018 -5.967 1.00 0.00 O ATOM 1289 CB VAL B 47 4.869 -0.781 -6.597 1.00 0.00 C ATOM 1290 CG1 VAL B 47 3.365 -0.969 -6.527 1.00 0.00 C ATOM 1291 CG2 VAL B 47 5.204 0.291 -7.626 1.00 0.00 C ATOM 0 H VAL B 47 5.507 1.656 -5.345 1.00 0.00 H new ATOM 0 HA VAL B 47 4.989 -1.122 -4.483 1.00 0.00 H new ATOM 0 HB VAL B 47 5.337 -1.713 -6.913 1.00 0.00 H new ATOM 0 HG11 VAL B 47 2.982 -1.214 -7.518 1.00 0.00 H new ATOM 0 HG12 VAL B 47 3.131 -1.780 -5.837 1.00 0.00 H new ATOM 0 HG13 VAL B 47 2.899 -0.048 -6.176 1.00 0.00 H new ATOM 0 HG21 VAL B 47 4.789 0.009 -8.594 1.00 0.00 H new ATOM 0 HG22 VAL B 47 4.777 1.243 -7.312 1.00 0.00 H new ATOM 0 HG23 VAL B 47 6.286 0.389 -7.710 1.00 0.00 H new ATOM 1301 N ILE B 48 7.455 -1.401 -4.253 1.00 0.00 N ATOM 1302 CA ILE B 48 8.890 -1.600 -4.141 1.00 0.00 C ATOM 1303 C ILE B 48 9.296 -2.873 -4.862 1.00 0.00 C ATOM 1304 O ILE B 48 8.758 -3.942 -4.591 1.00 0.00 O ATOM 1305 CB ILE B 48 9.353 -1.670 -2.669 1.00 0.00 C ATOM 1306 CG1 ILE B 48 8.816 -0.468 -1.886 1.00 0.00 C ATOM 1307 CG2 ILE B 48 10.881 -1.717 -2.595 1.00 0.00 C ATOM 1308 CD1 ILE B 48 9.082 -0.542 -0.399 1.00 0.00 C ATOM 0 H ILE B 48 6.896 -1.920 -3.576 1.00 0.00 H new ATOM 0 HA ILE B 48 9.374 -0.740 -4.603 1.00 0.00 H new ATOM 0 HB ILE B 48 8.956 -2.581 -2.221 1.00 0.00 H new ATOM 0 HG12 ILE B 48 9.266 0.442 -2.282 1.00 0.00 H new ATOM 0 HG13 ILE B 48 7.741 -0.390 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.193 -1.766 -1.552 1.00 0.00 H new ATOM 0 HG22 ILE B 48 11.244 -2.598 -3.124 1.00 0.00 H new ATOM 0 HG23 ILE B 48 11.295 -0.820 -3.056 1.00 0.00 H new ATOM 0 HD11 ILE B 48 8.673 0.343 0.088 1.00 0.00 H new ATOM 0 HD12 ILE B 48 8.608 -1.434 0.011 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.157 -0.589 -0.224 1.00 0.00 H new ATOM 1320 N THR B 49 10.223 -2.743 -5.795 1.00 0.00 N ATOM 1321 CA THR B 49 10.728 -3.878 -6.546 1.00 0.00 C ATOM 1322 C THR B 49 11.957 -4.472 -5.854 1.00 0.00 C ATOM 1323 O THR B 49 13.061 -3.951 -5.990 1.00 0.00 O ATOM 1324 CB THR B 49 11.080 -3.452 -7.990 1.00 0.00 C ATOM 1325 OG1 THR B 49 9.900 -2.958 -8.643 1.00 0.00 O ATOM 1326 CG2 THR B 49 11.652 -4.618 -8.783 1.00 0.00 C ATOM 0 H THR B 49 10.645 -1.851 -6.052 1.00 0.00 H new ATOM 0 HA THR B 49 9.950 -4.640 -6.587 1.00 0.00 H new ATOM 0 HB THR B 49 11.836 -2.668 -7.943 1.00 0.00 H new ATOM 0 HG1 THR B 49 10.122 -2.686 -9.558 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.890 -4.288 -9.794 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.558 -4.979 -8.296 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.918 -5.423 -8.827 1.00 0.00 H new ATOM 1334 N PRO B 50 11.778 -5.561 -5.084 1.00 0.00 N ATOM 1335 CA PRO B 50 12.872 -6.181 -4.333 1.00 0.00 C ATOM 1336 C PRO B 50 13.928 -6.788 -5.248 1.00 0.00 C ATOM 1337 O PRO B 50 13.610 -7.545 -6.166 1.00 0.00 O ATOM 1338 CB PRO B 50 12.184 -7.277 -3.513 1.00 0.00 C ATOM 1339 CG PRO B 50 10.916 -7.567 -4.239 1.00 0.00 C ATOM 1340 CD PRO B 50 10.504 -6.277 -4.893 1.00 0.00 C ATOM 0 HA PRO B 50 13.403 -5.451 -3.722 1.00 0.00 H new ATOM 0 HB2 PRO B 50 12.809 -8.167 -3.441 1.00 0.00 H new ATOM 0 HB3 PRO B 50 11.987 -6.942 -2.494 1.00 0.00 H new ATOM 0 HG2 PRO B 50 11.063 -8.351 -4.982 1.00 0.00 H new ATOM 0 HG3 PRO B 50 10.146 -7.919 -3.553 1.00 0.00 H new ATOM 0 HD2 PRO B 50 9.997 -6.453 -5.842 1.00 0.00 H new ATOM 0 HD3 PRO B 50 9.817 -5.711 -4.265 1.00 0.00 H new ATOM 1348 N VAL B 51 15.183 -6.440 -5.007 1.00 0.00 N ATOM 1349 CA VAL B 51 16.283 -6.977 -5.797 1.00 0.00 C ATOM 1350 C VAL B 51 17.191 -7.845 -4.931 1.00 0.00 C ATOM 1351 O VAL B 51 17.727 -8.853 -5.389 1.00 0.00 O ATOM 1352 CB VAL B 51 17.113 -5.861 -6.474 1.00 0.00 C ATOM 1353 CG1 VAL B 51 16.215 -4.969 -7.315 1.00 0.00 C ATOM 1354 CG2 VAL B 51 17.886 -5.043 -5.449 1.00 0.00 C ATOM 0 H VAL B 51 15.466 -5.790 -4.273 1.00 0.00 H new ATOM 0 HA VAL B 51 15.842 -7.588 -6.585 1.00 0.00 H new ATOM 0 HB VAL B 51 17.843 -6.335 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL B 51 16.814 -4.189 -7.785 1.00 0.00 H new ATOM 0 HG12 VAL B 51 15.728 -5.566 -8.086 1.00 0.00 H new ATOM 0 HG13 VAL B 51 15.458 -4.511 -6.678 1.00 0.00 H new ATOM 0 HG21 VAL B 51 18.458 -4.268 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL B 51 17.188 -4.579 -4.752 1.00 0.00 H new ATOM 0 HG23 VAL B 51 18.566 -5.695 -4.901 1.00 0.00 H new ATOM 1364 N ASP B 52 17.343 -7.454 -3.670 1.00 0.00 N ATOM 1365 CA ASP B 52 18.182 -8.193 -2.735 1.00 0.00 C ATOM 1366 C ASP B 52 17.404 -9.373 -2.178 1.00 0.00 C ATOM 1367 O ASP B 52 17.942 -10.465 -1.997 1.00 0.00 O ATOM 1368 CB ASP B 52 18.649 -7.275 -1.604 1.00 0.00 C ATOM 1369 CG ASP B 52 19.610 -7.956 -0.650 1.00 0.00 C ATOM 1370 OD1 ASP B 52 20.778 -8.176 -1.034 1.00 0.00 O ATOM 1371 OD2 ASP B 52 19.207 -8.259 0.491 1.00 0.00 O1- ATOM 0 H ASP B 52 16.895 -6.628 -3.272 1.00 0.00 H new ATOM 0 HA ASP B 52 19.063 -8.565 -3.258 1.00 0.00 H new ATOM 0 HB2 ASP B 52 19.131 -6.396 -2.032 1.00 0.00 H new ATOM 0 HB3 ASP B 52 17.781 -6.923 -1.047 1.00 0.00 H new ATOM 1376 N GLY B 53 16.129 -9.138 -1.915 1.00 0.00 N ATOM 1377 CA GLY B 53 15.239 -10.203 -1.517 1.00 0.00 C ATOM 1378 C GLY B 53 14.187 -10.448 -2.576 1.00 0.00 C ATOM 1379 O GLY B 53 14.253 -9.867 -3.659 1.00 0.00 O ATOM 0 H GLY B 53 15.692 -8.218 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY B 53 15.810 -11.116 -1.347 1.00 0.00 H new ATOM 0 HA3 GLY B 53 14.758 -9.947 -0.573 1.00 0.00 H new ATOM 1383 N SER B 54 13.218 -11.291 -2.275 1.00 0.00 N ATOM 1384 CA SER B 54 12.160 -11.586 -3.221 1.00 0.00 C ATOM 1385 C SER B 54 10.821 -11.637 -2.498 1.00 0.00 C ATOM 1386 O SER B 54 9.972 -12.495 -2.765 1.00 0.00 O ATOM 1387 CB SER B 54 12.443 -12.899 -3.944 1.00 0.00 C ATOM 1388 OG SER B 54 11.722 -12.982 -5.162 1.00 0.00 O ATOM 0 H SER B 54 13.142 -11.783 -1.385 1.00 0.00 H new ATOM 0 HA SER B 54 12.119 -10.795 -3.970 1.00 0.00 H new ATOM 0 HB2 SER B 54 13.511 -12.983 -4.145 1.00 0.00 H new ATOM 0 HB3 SER B 54 12.172 -13.736 -3.301 1.00 0.00 H new ATOM 0 HG SER B 54 10.764 -12.879 -4.983 1.00 0.00 H new ATOM 1394 N ASP B 55 10.646 -10.712 -1.569 1.00 0.00 N ATOM 1395 CA ASP B 55 9.415 -10.615 -0.800 1.00 0.00 C ATOM 1396 C ASP B 55 8.630 -9.392 -1.247 1.00 0.00 C ATOM 1397 O ASP B 55 8.932 -8.280 -0.824 1.00 0.00 O ATOM 1398 CB ASP B 55 9.727 -10.497 0.691 1.00 0.00 C ATOM 1399 CG ASP B 55 8.564 -10.916 1.568 1.00 0.00 C ATOM 1400 OD1 ASP B 55 7.663 -10.088 1.823 1.00 0.00 O ATOM 1401 OD2 ASP B 55 8.548 -12.080 2.018 1.00 0.00 O1- ATOM 0 H ASP B 55 11.347 -10.012 -1.327 1.00 0.00 H new ATOM 0 HA ASP B 55 8.825 -11.516 -0.969 1.00 0.00 H new ATOM 0 HB2 ASP B 55 10.594 -11.114 0.926 1.00 0.00 H new ATOM 0 HB3 ASP B 55 9.997 -9.466 0.921 1.00 0.00 H new ATOM 1406 N PRO B 56 7.632 -9.573 -2.122 1.00 0.00 N ATOM 1407 CA PRO B 56 6.840 -8.461 -2.660 1.00 0.00 C ATOM 1408 C PRO B 56 6.140 -7.663 -1.567 1.00 0.00 C ATOM 1409 O PRO B 56 5.436 -8.226 -0.720 1.00 0.00 O ATOM 1410 CB PRO B 56 5.807 -9.150 -3.558 1.00 0.00 C ATOM 1411 CG PRO B 56 6.393 -10.483 -3.869 1.00 0.00 C ATOM 1412 CD PRO B 56 7.190 -10.871 -2.658 1.00 0.00 C ATOM 0 HA PRO B 56 7.466 -7.740 -3.185 1.00 0.00 H new ATOM 0 HB2 PRO B 56 4.847 -9.250 -3.051 1.00 0.00 H new ATOM 0 HB3 PRO B 56 5.629 -8.576 -4.467 1.00 0.00 H new ATOM 0 HG2 PRO B 56 5.612 -11.215 -4.074 1.00 0.00 H new ATOM 0 HG3 PRO B 56 7.026 -10.435 -4.755 1.00 0.00 H new ATOM 0 HD2 PRO B 56 6.586 -11.421 -1.936 1.00 0.00 H new ATOM 0 HD3 PRO B 56 8.035 -11.509 -2.918 1.00 0.00 H new ATOM 1420 N TYR B 57 6.345 -6.355 -1.578 1.00 0.00 N ATOM 1421 CA TYR B 57 5.686 -5.474 -0.636 1.00 0.00 C ATOM 1422 C TYR B 57 5.155 -4.247 -1.360 1.00 0.00 C ATOM 1423 O TYR B 57 5.919 -3.379 -1.799 1.00 0.00 O ATOM 1424 CB TYR B 57 6.638 -5.055 0.488 1.00 0.00 C ATOM 1425 CG TYR B 57 5.979 -4.193 1.543 1.00 0.00 C ATOM 1426 CD1 TYR B 57 5.077 -4.738 2.450 1.00 0.00 C ATOM 1427 CD2 TYR B 57 6.251 -2.833 1.628 1.00 0.00 C ATOM 1428 CE1 TYR B 57 4.467 -3.953 3.409 1.00 0.00 C ATOM 1429 CE2 TYR B 57 5.644 -2.042 2.584 1.00 0.00 C ATOM 1430 CZ TYR B 57 4.754 -2.607 3.472 1.00 0.00 C ATOM 1431 OH TYR B 57 4.147 -1.822 4.425 1.00 0.00 O ATOM 0 H TYR B 57 6.966 -5.882 -2.234 1.00 0.00 H new ATOM 0 HA TYR B 57 4.853 -6.015 -0.186 1.00 0.00 H new ATOM 0 HB2 TYR B 57 7.045 -5.948 0.961 1.00 0.00 H new ATOM 0 HB3 TYR B 57 7.479 -4.511 0.058 1.00 0.00 H new ATOM 0 HD1 TYR B 57 4.850 -5.793 2.404 1.00 0.00 H new ATOM 0 HD2 TYR B 57 6.949 -2.387 0.935 1.00 0.00 H new ATOM 0 HE1 TYR B 57 3.769 -4.392 4.106 1.00 0.00 H new ATOM 0 HE2 TYR B 57 5.866 -0.986 2.635 1.00 0.00 H new ATOM 0 HH TYR B 57 3.462 -1.264 4.001 1.00 0.00 H new ATOM 1441 N GLU B 58 3.843 -4.189 -1.476 1.00 0.00 N ATOM 1442 CA GLU B 58 3.177 -3.095 -2.149 1.00 0.00 C ATOM 1443 C GLU B 58 2.086 -2.531 -1.255 1.00 0.00 C ATOM 1444 O GLU B 58 1.408 -3.280 -0.550 1.00 0.00 O ATOM 1445 CB GLU B 58 2.554 -3.561 -3.469 1.00 0.00 C ATOM 1446 CG GLU B 58 3.552 -3.926 -4.561 1.00 0.00 C ATOM 1447 CD GLU B 58 4.161 -5.305 -4.407 1.00 0.00 C ATOM 1448 OE1 GLU B 58 3.434 -6.304 -4.567 1.00 0.00 O1- ATOM 1449 OE2 GLU B 58 5.380 -5.397 -4.169 1.00 0.00 O ATOM 0 H GLU B 58 3.211 -4.899 -1.106 1.00 0.00 H new ATOM 0 HA GLU B 58 3.919 -2.326 -2.364 1.00 0.00 H new ATOM 0 HB2 GLU B 58 1.924 -4.428 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU B 58 1.902 -2.772 -3.843 1.00 0.00 H new ATOM 0 HG2 GLU B 58 3.053 -3.867 -5.528 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.352 -3.186 -4.569 1.00 0.00 H new ATOM 1456 N GLU B 59 1.923 -1.220 -1.274 1.00 0.00 N ATOM 1457 CA GLU B 59 0.859 -0.586 -0.518 1.00 0.00 C ATOM 1458 C GLU B 59 0.499 0.762 -1.122 1.00 0.00 C ATOM 1459 O GLU B 59 1.190 1.276 -2.002 1.00 0.00 O ATOM 1460 CB GLU B 59 1.246 -0.406 0.953 1.00 0.00 C ATOM 1461 CG GLU B 59 2.378 0.579 1.185 1.00 0.00 C ATOM 1462 CD GLU B 59 2.471 1.012 2.632 1.00 0.00 C ATOM 1463 OE1 GLU B 59 3.137 0.317 3.427 1.00 0.00 O ATOM 1464 OE2 GLU B 59 1.861 2.038 2.989 1.00 0.00 O1- ATOM 0 H GLU B 59 2.512 -0.576 -1.803 1.00 0.00 H new ATOM 0 HA GLU B 59 -0.009 -1.243 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU B 59 0.370 -0.072 1.509 1.00 0.00 H new ATOM 0 HB3 GLU B 59 1.533 -1.375 1.362 1.00 0.00 H new ATOM 0 HG2 GLU B 59 3.321 0.124 0.882 1.00 0.00 H new ATOM 0 HG3 GLU B 59 2.230 1.455 0.554 1.00 0.00 H new ATOM 1471 N MET B 60 -0.593 1.318 -0.645 1.00 0.00 N ATOM 1472 CA MET B 60 -1.075 2.601 -1.114 1.00 0.00 C ATOM 1473 C MET B 60 -0.649 3.693 -0.147 1.00 0.00 C ATOM 1474 O MET B 60 -1.313 3.951 0.858 1.00 0.00 O ATOM 1475 CB MET B 60 -2.597 2.548 -1.270 1.00 0.00 C ATOM 1476 CG MET B 60 -3.262 3.894 -1.492 1.00 0.00 C ATOM 1477 SD MET B 60 -4.685 3.774 -2.587 1.00 0.00 S ATOM 1478 CE MET B 60 -5.607 2.461 -1.794 1.00 0.00 C ATOM 0 H MET B 60 -1.173 0.894 0.079 1.00 0.00 H new ATOM 0 HA MET B 60 -0.642 2.830 -2.088 1.00 0.00 H new ATOM 0 HB2 MET B 60 -2.839 1.896 -2.109 1.00 0.00 H new ATOM 0 HB3 MET B 60 -3.024 2.091 -0.377 1.00 0.00 H new ATOM 0 HG2 MET B 60 -3.577 4.305 -0.533 1.00 0.00 H new ATOM 0 HG3 MET B 60 -2.538 4.590 -1.915 1.00 0.00 H new ATOM 0 HE1 MET B 60 -6.554 2.316 -2.314 1.00 0.00 H new ATOM 0 HE2 MET B 60 -5.029 1.538 -1.829 1.00 0.00 H new ATOM 0 HE3 MET B 60 -5.801 2.729 -0.755 1.00 0.00 H new ATOM 1488 N ILE B 61 0.477 4.313 -0.448 1.00 0.00 N ATOM 1489 CA ILE B 61 1.035 5.328 0.418 1.00 0.00 C ATOM 1490 C ILE B 61 0.519 6.703 -0.020 1.00 0.00 C ATOM 1491 O ILE B 61 0.400 6.981 -1.208 1.00 0.00 O ATOM 1492 CB ILE B 61 2.589 5.276 0.400 1.00 0.00 C ATOM 1493 CG1 ILE B 61 3.180 5.929 1.652 1.00 0.00 C ATOM 1494 CG2 ILE B 61 3.154 5.935 -0.850 1.00 0.00 C ATOM 1495 CD1 ILE B 61 2.927 5.148 2.925 1.00 0.00 C ATOM 0 H ILE B 61 1.023 4.129 -1.290 1.00 0.00 H new ATOM 0 HA ILE B 61 0.718 5.143 1.444 1.00 0.00 H new ATOM 0 HB ILE B 61 2.874 4.224 0.390 1.00 0.00 H new ATOM 0 HG12 ILE B 61 4.255 6.047 1.516 1.00 0.00 H new ATOM 0 HG13 ILE B 61 2.761 6.929 1.761 1.00 0.00 H new ATOM 0 HG21 ILE B 61 4.242 5.881 -0.830 1.00 0.00 H new ATOM 0 HG22 ILE B 61 2.781 5.418 -1.734 1.00 0.00 H new ATOM 0 HG23 ILE B 61 2.843 6.979 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE B 61 3.375 5.673 3.769 1.00 0.00 H new ATOM 0 HD12 ILE B 61 1.853 5.053 3.086 1.00 0.00 H new ATOM 0 HD13 ILE B 61 3.370 4.156 2.837 1.00 0.00 H new ATOM 1507 N PRO B 62 0.122 7.554 0.922 1.00 0.00 N ATOM 1508 CA PRO B 62 -0.367 8.890 0.596 1.00 0.00 C ATOM 1509 C PRO B 62 0.735 9.835 0.146 1.00 0.00 C ATOM 1510 O PRO B 62 1.894 9.706 0.531 1.00 0.00 O ATOM 1511 CB PRO B 62 -0.980 9.385 1.908 1.00 0.00 C ATOM 1512 CG PRO B 62 -1.036 8.196 2.809 1.00 0.00 C ATOM 1513 CD PRO B 62 0.063 7.288 2.362 1.00 0.00 C ATOM 0 HA PRO B 62 -1.068 8.858 -0.238 1.00 0.00 H new ATOM 0 HB2 PRO B 62 -0.375 10.179 2.346 1.00 0.00 H new ATOM 0 HB3 PRO B 62 -1.976 9.797 1.743 1.00 0.00 H new ATOM 0 HG2 PRO B 62 -0.901 8.489 3.850 1.00 0.00 H new ATOM 0 HG3 PRO B 62 -2.004 7.700 2.740 1.00 0.00 H new ATOM 0 HD2 PRO B 62 1.007 7.518 2.857 1.00 0.00 H new ATOM 0 HD3 PRO B 62 -0.162 6.243 2.574 1.00 0.00 H new ATOM 1521 N LYS B 63 0.332 10.801 -0.664 1.00 0.00 N ATOM 1522 CA LYS B 63 1.240 11.778 -1.235 1.00 0.00 C ATOM 1523 C LYS B 63 1.655 12.791 -0.174 1.00 0.00 C ATOM 1524 O LYS B 63 2.716 13.410 -0.260 1.00 0.00 O ATOM 1525 CB LYS B 63 0.533 12.471 -2.381 1.00 0.00 C ATOM 1526 CG LYS B 63 1.473 13.182 -3.333 1.00 0.00 C ATOM 1527 CD LYS B 63 1.045 12.954 -4.763 1.00 0.00 C ATOM 1528 CE LYS B 63 -0.361 13.485 -5.013 1.00 0.00 C ATOM 1529 NZ LYS B 63 -0.777 13.345 -6.436 1.00 0.00 N1+ ATOM 0 H LYS B 63 -0.640 10.928 -0.944 1.00 0.00 H new ATOM 0 HA LYS B 63 2.141 11.285 -1.600 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -0.046 11.735 -2.938 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -0.175 13.194 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS B 63 1.482 14.250 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS B 63 2.490 12.819 -3.189 1.00 0.00 H new ATOM 0 HD2 LYS B 63 1.746 13.445 -5.437 1.00 0.00 H new ATOM 0 HD3 LYS B 63 1.079 11.888 -4.989 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -1.067 12.950 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -0.406 14.536 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -1.719 13.766 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -0.092 13.834 -7.048 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -0.810 12.337 -6.690 1.00 0.00 H new ATOM 1543 N TRP B 64 0.796 12.937 0.830 1.00 0.00 N ATOM 1544 CA TRP B 64 1.028 13.858 1.943 1.00 0.00 C ATOM 1545 C TRP B 64 1.803 13.163 3.059 1.00 0.00 C ATOM 1546 O TRP B 64 2.153 13.771 4.070 1.00 0.00 O ATOM 1547 CB TRP B 64 -0.307 14.412 2.473 1.00 0.00 C ATOM 1548 CG TRP B 64 -1.509 13.608 2.061 1.00 0.00 C ATOM 1549 CD1 TRP B 64 -2.226 13.751 0.906 1.00 0.00 C ATOM 1550 CD2 TRP B 64 -2.137 12.543 2.791 1.00 0.00 C ATOM 1551 NE1 TRP B 64 -3.250 12.838 0.870 1.00 0.00 N ATOM 1552 CE2 TRP B 64 -3.217 12.084 2.011 1.00 0.00 C ATOM 1553 CE3 TRP B 64 -1.892 11.926 4.024 1.00 0.00 C ATOM 1554 CZ2 TRP B 64 -4.046 11.042 2.417 1.00 0.00 C ATOM 1555 CZ3 TRP B 64 -2.717 10.889 4.426 1.00 0.00 C ATOM 1556 CH2 TRP B 64 -3.782 10.454 3.624 1.00 0.00 C ATOM 0 H TRP B 64 -0.081 12.421 0.897 1.00 0.00 H new ATOM 0 HA TRP B 64 1.625 14.694 1.580 1.00 0.00 H new ATOM 0 HB2 TRP B 64 -0.265 14.452 3.561 1.00 0.00 H new ATOM 0 HB3 TRP B 64 -0.429 15.436 2.120 1.00 0.00 H new ATOM 0 HD1 TRP B 64 -2.017 14.477 0.134 1.00 0.00 H new ATOM 0 HE1 TRP B 64 -3.927 12.738 0.114 1.00 0.00 H new ATOM 0 HE3 TRP B 64 -1.075 12.253 4.650 1.00 0.00 H new ATOM 0 HZ2 TRP B 64 -4.868 10.709 1.801 1.00 0.00 H new ATOM 0 HZ3 TRP B 64 -2.537 10.406 5.375 1.00 0.00 H new ATOM 0 HH2 TRP B 64 -4.405 9.640 3.965 1.00 0.00 H new ATOM 1567 N ARG B 65 2.063 11.883 2.857 1.00 0.00 N ATOM 1568 CA ARG B 65 2.885 11.097 3.764 1.00 0.00 C ATOM 1569 C ARG B 65 4.349 11.317 3.427 1.00 0.00 C ATOM 1570 O ARG B 65 4.709 11.388 2.251 1.00 0.00 O ATOM 1571 CB ARG B 65 2.521 9.614 3.615 1.00 0.00 C ATOM 1572 CG ARG B 65 3.544 8.638 4.179 1.00 0.00 C ATOM 1573 CD ARG B 65 3.550 8.614 5.698 1.00 0.00 C ATOM 1574 NE ARG B 65 4.389 7.530 6.210 1.00 0.00 N ATOM 1575 CZ ARG B 65 4.097 6.802 7.289 1.00 0.00 C ATOM 1576 NH1 ARG B 65 3.028 7.093 8.025 1.00 0.00 N1+ ATOM 1577 NH2 ARG B 65 4.885 5.792 7.645 1.00 0.00 N ATOM 0 H ARG B 65 1.710 11.357 2.058 1.00 0.00 H new ATOM 0 HA ARG B 65 2.708 11.405 4.795 1.00 0.00 H new ATOM 0 HB2 ARG B 65 1.565 9.439 4.108 1.00 0.00 H new ATOM 0 HB3 ARG B 65 2.378 9.395 2.557 1.00 0.00 H new ATOM 0 HG2 ARG B 65 3.331 7.637 3.804 1.00 0.00 H new ATOM 0 HG3 ARG B 65 4.537 8.909 3.819 1.00 0.00 H new ATOM 0 HD2 ARG B 65 3.914 9.569 6.077 1.00 0.00 H new ATOM 0 HD3 ARG B 65 2.531 8.493 6.066 1.00 0.00 H new ATOM 0 HE ARG B 65 5.252 7.317 5.710 1.00 0.00 H new ATOM 0 HH11 ARG B 65 2.428 7.876 7.765 1.00 0.00 H new ATOM 0 HH12 ARG B 65 2.809 6.534 8.849 1.00 0.00 H new ATOM 0 HH21 ARG B 65 5.714 5.573 7.093 1.00 0.00 H new ATOM 0 HH22 ARG B 65 4.660 5.236 8.470 1.00 0.00 H new ATOM 1591 N GLN B 66 5.191 11.448 4.443 1.00 0.00 N ATOM 1592 CA GLN B 66 6.619 11.547 4.205 1.00 0.00 C ATOM 1593 C GLN B 66 7.125 10.210 3.688 1.00 0.00 C ATOM 1594 O GLN B 66 7.047 9.187 4.371 1.00 0.00 O ATOM 1595 CB GLN B 66 7.381 11.987 5.462 1.00 0.00 C ATOM 1596 CG GLN B 66 7.054 11.186 6.708 1.00 0.00 C ATOM 1597 CD GLN B 66 7.851 11.635 7.919 1.00 0.00 C ATOM 1598 OE1 GLN B 66 8.985 12.101 7.797 1.00 0.00 O ATOM 1599 NE2 GLN B 66 7.261 11.499 9.092 1.00 0.00 N ATOM 0 H GLN B 66 4.914 11.487 5.424 1.00 0.00 H new ATOM 0 HA GLN B 66 6.799 12.317 3.455 1.00 0.00 H new ATOM 0 HB2 GLN B 66 8.451 11.912 5.268 1.00 0.00 H new ATOM 0 HB3 GLN B 66 7.164 13.038 5.654 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.990 11.277 6.925 1.00 0.00 H new ATOM 0 HG3 GLN B 66 7.252 10.131 6.519 1.00 0.00 H new ATOM 0 HE21 GLN B 66 6.320 11.108 9.148 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.746 11.785 9.943 1.00 0.00 H new ATOM 1608 N LEU B 67 7.597 10.226 2.456 1.00 0.00 N ATOM 1609 CA LEU B 67 7.934 9.007 1.747 1.00 0.00 C ATOM 1610 C LEU B 67 9.400 8.659 1.910 1.00 0.00 C ATOM 1611 O LEU B 67 10.202 9.494 2.336 1.00 0.00 O ATOM 1612 CB LEU B 67 7.593 9.165 0.268 1.00 0.00 C ATOM 1613 CG LEU B 67 6.133 9.510 -0.013 1.00 0.00 C ATOM 1614 CD1 LEU B 67 5.941 9.872 -1.470 1.00 0.00 C ATOM 1615 CD2 LEU B 67 5.236 8.348 0.366 1.00 0.00 C ATOM 0 H LEU B 67 7.757 11.080 1.921 1.00 0.00 H new ATOM 0 HA LEU B 67 7.350 8.191 2.173 1.00 0.00 H new ATOM 0 HB2 LEU B 67 8.225 9.945 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU B 67 7.840 8.238 -0.250 1.00 0.00 H new ATOM 0 HG LEU B 67 5.860 10.374 0.593 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.894 10.115 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.561 10.735 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU B 67 6.230 9.028 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU B 67 4.198 8.608 0.160 1.00 0.00 H new ATOM 0 HD22 LEU B 67 5.513 7.470 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU B 67 5.352 8.130 1.428 1.00 0.00 H new ATOM 1627 N ASN B 68 9.744 7.432 1.560 1.00 0.00 N ATOM 1628 CA ASN B 68 11.118 6.975 1.653 1.00 0.00 C ATOM 1629 C ASN B 68 11.978 7.652 0.593 1.00 0.00 C ATOM 1630 O ASN B 68 12.985 8.282 0.910 1.00 0.00 O ATOM 1631 CB ASN B 68 11.196 5.440 1.548 1.00 0.00 C ATOM 1632 CG ASN B 68 10.196 4.841 0.568 1.00 0.00 C ATOM 1633 OD1 ASN B 68 9.851 5.445 -0.443 1.00 0.00 O ATOM 1634 ND2 ASN B 68 9.702 3.653 0.879 1.00 0.00 N ATOM 0 H ASN B 68 9.089 6.734 1.208 1.00 0.00 H new ATOM 0 HA ASN B 68 11.510 7.255 2.631 1.00 0.00 H new ATOM 0 HB2 ASN B 68 12.204 5.156 1.244 1.00 0.00 H new ATOM 0 HB3 ASN B 68 11.027 5.008 2.535 1.00 0.00 H new ATOM 0 HD21 ASN B 68 9.012 3.212 0.270 1.00 0.00 H new ATOM 0 HD22 ASN B 68 10.011 3.178 1.727 1.00 0.00 H new ATOM 1641 N VAL B 69 11.567 7.558 -0.657 1.00 0.00 N ATOM 1642 CA VAL B 69 12.309 8.166 -1.743 1.00 0.00 C ATOM 1643 C VAL B 69 11.455 8.143 -3.014 1.00 0.00 C ATOM 1644 O VAL B 69 10.327 7.653 -2.983 1.00 0.00 O ATOM 1645 CB VAL B 69 13.659 7.429 -1.945 1.00 0.00 C ATOM 1646 CG1 VAL B 69 13.450 6.066 -2.581 1.00 0.00 C ATOM 1647 CG2 VAL B 69 14.653 8.271 -2.734 1.00 0.00 C ATOM 0 H VAL B 69 10.722 7.065 -0.945 1.00 0.00 H new ATOM 0 HA VAL B 69 12.537 9.204 -1.503 1.00 0.00 H new ATOM 0 HB VAL B 69 14.094 7.270 -0.958 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.414 5.573 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL B 69 12.815 5.458 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL B 69 12.971 6.187 -3.553 1.00 0.00 H new ATOM 0 HG21 VAL B 69 15.585 7.718 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL B 69 14.238 8.498 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL B 69 14.848 9.200 -2.199 1.00 0.00 H new ATOM 1657 N PHE B 70 11.972 8.680 -4.113 1.00 0.00 N ATOM 1658 CA PHE B 70 11.225 8.728 -5.363 1.00 0.00 C ATOM 1659 C PHE B 70 11.232 7.372 -6.061 1.00 0.00 C ATOM 1660 O PHE B 70 11.829 6.411 -5.577 1.00 0.00 O ATOM 1661 CB PHE B 70 11.806 9.799 -6.289 1.00 0.00 C ATOM 1662 CG PHE B 70 11.670 11.193 -5.747 1.00 0.00 C ATOM 1663 CD1 PHE B 70 10.518 11.927 -5.977 1.00 0.00 C ATOM 1664 CD2 PHE B 70 12.692 11.767 -5.008 1.00 0.00 C ATOM 1665 CE1 PHE B 70 10.388 13.209 -5.480 1.00 0.00 C ATOM 1666 CE2 PHE B 70 12.566 13.048 -4.509 1.00 0.00 C ATOM 1667 CZ PHE B 70 11.412 13.770 -4.744 1.00 0.00 C ATOM 0 H PHE B 70 12.905 9.088 -4.163 1.00 0.00 H new ATOM 0 HA PHE B 70 10.192 8.984 -5.127 1.00 0.00 H new ATOM 0 HB2 PHE B 70 12.861 9.586 -6.462 1.00 0.00 H new ATOM 0 HB3 PHE B 70 11.306 9.743 -7.256 1.00 0.00 H new ATOM 0 HD1 PHE B 70 9.713 11.492 -6.551 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.596 11.207 -4.821 1.00 0.00 H new ATOM 0 HE1 PHE B 70 9.486 13.772 -5.667 1.00 0.00 H new ATOM 0 HE2 PHE B 70 13.369 13.486 -3.935 1.00 0.00 H new ATOM 0 HZ PHE B 70 11.311 14.772 -4.353 1.00 0.00 H new ATOM 1677 N GLU B 71 10.548 7.296 -7.191 1.00 0.00 N ATOM 1678 CA GLU B 71 10.443 6.054 -7.930 1.00 0.00 C ATOM 1679 C GLU B 71 11.681 5.804 -8.796 1.00 0.00 C ATOM 1680 O GLU B 71 12.337 6.739 -9.261 1.00 0.00 O ATOM 1681 CB GLU B 71 9.159 6.048 -8.762 1.00 0.00 C ATOM 1682 CG GLU B 71 9.016 7.238 -9.696 1.00 0.00 C ATOM 1683 CD GLU B 71 7.686 7.250 -10.420 1.00 0.00 C ATOM 1684 OE1 GLU B 71 7.591 6.636 -11.507 1.00 0.00 O1- ATOM 1685 OE2 GLU B 71 6.730 7.870 -9.912 1.00 0.00 O ATOM 0 H GLU B 71 10.057 8.083 -7.615 1.00 0.00 H new ATOM 0 HA GLU B 71 10.393 5.232 -7.216 1.00 0.00 H new ATOM 0 HB2 GLU B 71 9.126 5.132 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU B 71 8.303 6.025 -8.088 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.123 8.160 -9.124 1.00 0.00 H new ATOM 0 HG3 GLU B 71 9.824 7.221 -10.427 1.00 0.00 H new ATOM 1692 N GLY B 72 11.997 4.525 -8.975 1.00 0.00 N ATOM 1693 CA GLY B 72 13.181 4.118 -9.703 1.00 0.00 C ATOM 1694 C GLY B 72 14.440 4.326 -8.881 1.00 0.00 C ATOM 1695 O GLY B 72 15.529 4.509 -9.429 1.00 0.00 O ATOM 0 H GLY B 72 11.439 3.749 -8.619 1.00 0.00 H new ATOM 0 HA2 GLY B 72 13.096 3.067 -9.980 1.00 0.00 H new ATOM 0 HA3 GLY B 72 13.253 4.687 -10.630 1.00 0.00 H new ATOM 1699 N GLU B 73 14.286 4.278 -7.562 1.00 0.00 N ATOM 1700 CA GLU B 73 15.386 4.523 -6.637 1.00 0.00 C ATOM 1701 C GLU B 73 15.812 3.246 -5.922 1.00 0.00 C ATOM 1702 O GLU B 73 14.977 2.441 -5.519 1.00 0.00 O ATOM 1703 CB GLU B 73 14.968 5.569 -5.610 1.00 0.00 C ATOM 1704 CG GLU B 73 14.806 6.961 -6.198 1.00 0.00 C ATOM 1705 CD GLU B 73 16.123 7.562 -6.626 1.00 0.00 C ATOM 1706 OE1 GLU B 73 16.850 8.091 -5.760 1.00 0.00 O ATOM 1707 OE2 GLU B 73 16.444 7.510 -7.829 1.00 0.00 O1- ATOM 0 H GLU B 73 13.398 4.069 -7.106 1.00 0.00 H new ATOM 0 HA GLU B 73 16.237 4.886 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU B 73 14.026 5.264 -5.154 1.00 0.00 H new ATOM 0 HB3 GLU B 73 15.712 5.603 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU B 73 14.135 6.914 -7.056 1.00 0.00 H new ATOM 0 HG3 GLU B 73 14.336 7.611 -5.461 1.00 0.00 H new ATOM 1714 N ARG B 74 17.114 3.080 -5.757 1.00 0.00 N ATOM 1715 CA ARG B 74 17.669 1.893 -5.122 1.00 0.00 C ATOM 1716 C ARG B 74 17.935 2.128 -3.637 1.00 0.00 C ATOM 1717 O ARG B 74 18.708 3.009 -3.260 1.00 0.00 O ATOM 1718 CB ARG B 74 18.951 1.488 -5.848 1.00 0.00 C ATOM 1719 CG ARG B 74 19.762 0.399 -5.167 1.00 0.00 C ATOM 1720 CD ARG B 74 19.036 -0.933 -5.157 1.00 0.00 C ATOM 1721 NE ARG B 74 19.926 -2.023 -4.767 1.00 0.00 N ATOM 1722 CZ ARG B 74 19.836 -2.695 -3.622 1.00 0.00 C ATOM 1723 NH1 ARG B 74 18.898 -2.387 -2.735 1.00 0.00 N1+ ATOM 1724 NH2 ARG B 74 20.689 -3.675 -3.364 1.00 0.00 N ATOM 0 H ARG B 74 17.814 3.759 -6.057 1.00 0.00 H new ATOM 0 HA ARG B 74 16.942 1.084 -5.193 1.00 0.00 H new ATOM 0 HB2 ARG B 74 18.691 1.151 -6.852 1.00 0.00 H new ATOM 0 HB3 ARG B 74 19.580 2.371 -5.961 1.00 0.00 H new ATOM 0 HG2 ARG B 74 20.718 0.286 -5.679 1.00 0.00 H new ATOM 0 HG3 ARG B 74 19.982 0.699 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG B 74 18.194 -0.885 -4.467 1.00 0.00 H new ATOM 0 HD3 ARG B 74 18.626 -1.133 -6.147 1.00 0.00 H new ATOM 0 HE ARG B 74 20.667 -2.287 -5.416 1.00 0.00 H new ATOM 0 HH11 ARG B 74 18.241 -1.631 -2.929 1.00 0.00 H new ATOM 0 HH12 ARG B 74 18.834 -2.906 -1.859 1.00 0.00 H new ATOM 0 HH21 ARG B 74 21.413 -3.913 -4.042 1.00 0.00 H new ATOM 0 HH22 ARG B 74 20.622 -4.192 -2.487 1.00 0.00 H new ATOM 1738 N VAL B 75 17.271 1.331 -2.809 1.00 0.00 N ATOM 1739 CA VAL B 75 17.407 1.411 -1.355 1.00 0.00 C ATOM 1740 C VAL B 75 17.373 0.014 -0.745 1.00 0.00 C ATOM 1741 O VAL B 75 16.942 -0.940 -1.397 1.00 0.00 O ATOM 1742 CB VAL B 75 16.274 2.249 -0.721 1.00 0.00 C ATOM 1743 CG1 VAL B 75 16.405 3.721 -1.088 1.00 0.00 C ATOM 1744 CG2 VAL B 75 14.920 1.711 -1.149 1.00 0.00 C ATOM 0 H VAL B 75 16.622 0.610 -3.124 1.00 0.00 H new ATOM 0 HA VAL B 75 18.362 1.894 -1.148 1.00 0.00 H new ATOM 0 HB VAL B 75 16.358 2.168 0.363 1.00 0.00 H new ATOM 0 HG11 VAL B 75 15.594 4.284 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL B 75 17.361 4.102 -0.729 1.00 0.00 H new ATOM 0 HG13 VAL B 75 16.354 3.832 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL B 75 14.130 2.310 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL B 75 14.835 1.761 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL B 75 14.821 0.675 -0.825 1.00 0.00 H new ATOM 1754 N GLU B 76 17.826 -0.104 0.497 1.00 0.00 N ATOM 1755 CA GLU B 76 17.793 -1.376 1.208 1.00 0.00 C ATOM 1756 C GLU B 76 16.711 -1.345 2.282 1.00 0.00 C ATOM 1757 O GLU B 76 16.255 -0.272 2.681 1.00 0.00 O ATOM 1758 CB GLU B 76 19.158 -1.683 1.840 1.00 0.00 C ATOM 1759 CG GLU B 76 19.277 -3.115 2.345 1.00 0.00 C ATOM 1760 CD GLU B 76 20.623 -3.429 2.957 1.00 0.00 C ATOM 1761 OE1 GLU B 76 21.592 -3.643 2.199 1.00 0.00 O ATOM 1762 OE2 GLU B 76 20.711 -3.499 4.200 1.00 0.00 O1- ATOM 0 H GLU B 76 18.222 0.668 1.034 1.00 0.00 H new ATOM 0 HA GLU B 76 17.563 -2.165 0.492 1.00 0.00 H new ATOM 0 HB2 GLU B 76 19.941 -1.497 1.105 1.00 0.00 H new ATOM 0 HB3 GLU B 76 19.330 -0.997 2.669 1.00 0.00 H new ATOM 0 HG2 GLU B 76 18.499 -3.296 3.086 1.00 0.00 H new ATOM 0 HG3 GLU B 76 19.095 -3.800 1.517 1.00 0.00 H new ATOM 1769 N ARG B 77 16.304 -2.530 2.733 1.00 0.00 N ATOM 1770 CA ARG B 77 15.276 -2.674 3.753 1.00 0.00 C ATOM 1771 C ARG B 77 15.622 -1.881 5.010 1.00 0.00 C ATOM 1772 O ARG B 77 16.588 -2.193 5.707 1.00 0.00 O ATOM 1773 CB ARG B 77 15.113 -4.156 4.104 1.00 0.00 C ATOM 1774 CG ARG B 77 14.137 -4.418 5.238 1.00 0.00 C ATOM 1775 CD ARG B 77 14.037 -5.901 5.552 1.00 0.00 C ATOM 1776 NE ARG B 77 13.059 -6.169 6.604 1.00 0.00 N ATOM 1777 CZ ARG B 77 12.636 -7.388 6.938 1.00 0.00 C ATOM 1778 NH1 ARG B 77 13.123 -8.463 6.324 1.00 0.00 N1+ ATOM 1779 NH2 ARG B 77 11.724 -7.532 7.892 1.00 0.00 N ATOM 0 H ARG B 77 16.681 -3.417 2.399 1.00 0.00 H new ATOM 0 HA ARG B 77 14.341 -2.279 3.355 1.00 0.00 H new ATOM 0 HB2 ARG B 77 14.777 -4.694 3.218 1.00 0.00 H new ATOM 0 HB3 ARG B 77 16.087 -4.564 4.375 1.00 0.00 H new ATOM 0 HG2 ARG B 77 14.458 -3.877 6.128 1.00 0.00 H new ATOM 0 HG3 ARG B 77 13.153 -4.034 4.969 1.00 0.00 H new ATOM 0 HD2 ARG B 77 13.758 -6.445 4.650 1.00 0.00 H new ATOM 0 HD3 ARG B 77 15.014 -6.274 5.860 1.00 0.00 H new ATOM 0 HE ARG B 77 12.676 -5.373 7.115 1.00 0.00 H new ATOM 0 HH11 ARG B 77 13.825 -8.358 5.592 1.00 0.00 H new ATOM 0 HH12 ARG B 77 12.794 -9.392 6.585 1.00 0.00 H new ATOM 0 HH21 ARG B 77 11.349 -6.711 8.367 1.00 0.00 H new ATOM 0 HH22 ARG B 77 11.398 -8.464 8.150 1.00 0.00 H new ATOM 1793 N GLY B 78 14.834 -0.852 5.286 1.00 0.00 N ATOM 1794 CA GLY B 78 15.005 -0.086 6.505 1.00 0.00 C ATOM 1795 C GLY B 78 15.813 1.182 6.313 1.00 0.00 C ATOM 1796 O GLY B 78 15.496 2.216 6.900 1.00 0.00 O ATOM 0 H GLY B 78 14.075 -0.532 4.684 1.00 0.00 H new ATOM 0 HA2 GLY B 78 14.024 0.174 6.902 1.00 0.00 H new ATOM 0 HA3 GLY B 78 15.495 -0.711 7.252 1.00 0.00 H new ATOM 1800 N ASP B 79 16.847 1.112 5.490 1.00 0.00 N ATOM 1801 CA ASP B 79 17.769 2.231 5.324 1.00 0.00 C ATOM 1802 C ASP B 79 17.336 3.164 4.197 1.00 0.00 C ATOM 1803 O ASP B 79 17.340 2.777 3.025 1.00 0.00 O ATOM 1804 CB ASP B 79 19.184 1.714 5.051 1.00 0.00 C ATOM 1805 CG ASP B 79 20.188 2.836 4.877 1.00 0.00 C ATOM 1806 OD1 ASP B 79 20.748 3.301 5.889 1.00 0.00 O ATOM 1807 OD2 ASP B 79 20.428 3.259 3.729 1.00 0.00 O1- ATOM 0 H ASP B 79 17.071 0.293 4.925 1.00 0.00 H new ATOM 0 HA ASP B 79 17.759 2.801 6.253 1.00 0.00 H new ATOM 0 HB2 ASP B 79 19.499 1.074 5.875 1.00 0.00 H new ATOM 0 HB3 ASP B 79 19.175 1.096 4.153 1.00 0.00 H new ATOM 1812 N VAL B 80 16.961 4.391 4.559 1.00 0.00 N ATOM 1813 CA VAL B 80 16.647 5.428 3.582 1.00 0.00 C ATOM 1814 C VAL B 80 16.346 6.779 4.260 1.00 0.00 C ATOM 1815 O VAL B 80 17.056 7.757 4.021 1.00 0.00 O ATOM 1816 CB VAL B 80 15.490 5.011 2.635 1.00 0.00 C ATOM 1817 CG1 VAL B 80 14.242 4.613 3.401 1.00 0.00 C ATOM 1818 CG2 VAL B 80 15.181 6.120 1.646 1.00 0.00 C ATOM 0 H VAL B 80 16.868 4.690 5.530 1.00 0.00 H new ATOM 0 HA VAL B 80 17.539 5.554 2.968 1.00 0.00 H new ATOM 0 HB VAL B 80 15.824 4.133 2.083 1.00 0.00 H new ATOM 0 HG11 VAL B 80 13.459 4.329 2.698 1.00 0.00 H new ATOM 0 HG12 VAL B 80 14.469 3.769 4.052 1.00 0.00 H new ATOM 0 HG13 VAL B 80 13.901 5.455 4.003 1.00 0.00 H new ATOM 0 HG21 VAL B 80 14.367 5.808 0.992 1.00 0.00 H new ATOM 0 HG22 VAL B 80 14.886 7.019 2.188 1.00 0.00 H new ATOM 0 HG23 VAL B 80 16.067 6.331 1.048 1.00 0.00 H new ATOM 1828 N ILE B 81 15.305 6.847 5.096 1.00 0.00 N ATOM 1829 CA ILE B 81 14.956 8.100 5.772 1.00 0.00 C ATOM 1830 C ILE B 81 14.966 7.940 7.289 1.00 0.00 C ATOM 1831 O ILE B 81 15.613 8.707 8.002 1.00 0.00 O ATOM 1832 CB ILE B 81 13.559 8.616 5.348 1.00 0.00 C ATOM 1833 CG1 ILE B 81 13.508 8.887 3.846 1.00 0.00 C ATOM 1834 CG2 ILE B 81 13.187 9.874 6.122 1.00 0.00 C ATOM 1835 CD1 ILE B 81 14.530 9.898 3.368 1.00 0.00 C ATOM 0 H ILE B 81 14.696 6.060 5.319 1.00 0.00 H new ATOM 0 HA ILE B 81 15.715 8.823 5.473 1.00 0.00 H new ATOM 0 HB ILE B 81 12.833 7.837 5.582 1.00 0.00 H new ATOM 0 HG12 ILE B 81 13.663 7.949 3.312 1.00 0.00 H new ATOM 0 HG13 ILE B 81 12.511 9.242 3.585 1.00 0.00 H new ATOM 0 HG21 ILE B 81 12.202 10.217 5.807 1.00 0.00 H new ATOM 0 HG22 ILE B 81 13.170 9.653 7.189 1.00 0.00 H new ATOM 0 HG23 ILE B 81 13.923 10.653 5.925 1.00 0.00 H new ATOM 0 HD11 ILE B 81 14.430 10.036 2.291 1.00 0.00 H new ATOM 0 HD12 ILE B 81 14.364 10.850 3.872 1.00 0.00 H new ATOM 0 HD13 ILE B 81 15.533 9.537 3.596 1.00 0.00 H new ATOM 1847 N SER B 82 14.252 6.935 7.771 1.00 0.00 N ATOM 1848 CA SER B 82 14.129 6.698 9.198 1.00 0.00 C ATOM 1849 C SER B 82 13.738 5.251 9.443 1.00 0.00 C ATOM 1850 O SER B 82 12.707 4.782 8.952 1.00 0.00 O ATOM 1851 CB SER B 82 13.084 7.641 9.802 1.00 0.00 C ATOM 1852 OG SER B 82 13.075 7.568 11.218 1.00 0.00 O ATOM 0 H SER B 82 13.746 6.267 7.189 1.00 0.00 H new ATOM 0 HA SER B 82 15.088 6.893 9.677 1.00 0.00 H new ATOM 0 HB2 SER B 82 13.293 8.665 9.491 1.00 0.00 H new ATOM 0 HB3 SER B 82 12.097 7.386 9.417 1.00 0.00 H new ATOM 0 HG SER B 82 12.399 8.182 11.573 1.00 0.00 H new ATOM 1858 N ASP B 83 14.569 4.545 10.192 1.00 0.00 N ATOM 1859 CA ASP B 83 14.356 3.127 10.426 1.00 0.00 C ATOM 1860 C ASP B 83 13.853 2.870 11.837 1.00 0.00 C ATOM 1861 O ASP B 83 14.358 3.427 12.812 1.00 0.00 O ATOM 1862 CB ASP B 83 15.637 2.326 10.155 1.00 0.00 C ATOM 1863 CG ASP B 83 16.782 2.677 11.086 1.00 0.00 C ATOM 1864 OD1 ASP B 83 17.320 3.801 10.983 1.00 0.00 O ATOM 1865 OD2 ASP B 83 17.176 1.816 11.905 1.00 0.00 O1- ATOM 0 H ASP B 83 15.396 4.930 10.648 1.00 0.00 H new ATOM 0 HA ASP B 83 13.589 2.791 9.729 1.00 0.00 H new ATOM 0 HB2 ASP B 83 15.417 1.263 10.248 1.00 0.00 H new ATOM 0 HB3 ASP B 83 15.951 2.497 9.125 1.00 0.00 H new ATOM 1870 N GLY B 84 12.839 2.026 11.923 1.00 0.00 N ATOM 1871 CA GLY B 84 12.247 1.676 13.193 1.00 0.00 C ATOM 1872 C GLY B 84 11.156 0.647 13.012 1.00 0.00 C ATOM 1873 O GLY B 84 11.232 -0.128 12.035 1.00 0.00 O ATOM 1874 OXT GLY B 84 10.220 0.601 13.834 1.00 0.00 O ATOM 0 H GLY B 84 12.409 1.570 11.118 1.00 0.00 H new ATOM 0 HA2 GLY B 84 13.014 1.285 13.861 1.00 0.00 H new ATOM 0 HA3 GLY B 84 11.837 2.568 13.666 1.00 0.00 H new