USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 24:sc= 0.973 USER MOD Single : A 42 SER OG : rot -87:sc= 0.0483 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00882 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 : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -120:sc= -1.18 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 9:sc= 0.4 USER MOD Single : B 35 SER OG : rot 19:sc= 0.0302 USER MOD Single : B 38 LYS NZ :NH3+ -173:sc= 0.789 (180deg=0.676) USER MOD Single : B 40 THR OG1 : rot -34:sc= 1.24 USER MOD Single : B 41 LYS NZ :NH3+ 147:sc= 1.22 (180deg=0.734) USER MOD Single : B 43 LYS NZ :NH3+ 143:sc= 0.253 (180deg=-3.67!) USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 57 TYR OH : rot -142:sc= 1.27 USER MOD Single : B 60 MET CE :methyl 173:sc= -0.768 (180deg=-0.891) USER MOD Single : B 63 LYS NZ :NH3+ 154:sc= 2.05 (180deg=1.35) USER MOD Single : B 66 GLN : amide:sc= 0.388 X(o=0.39,f=-0.0048) USER MOD Single : B 68 ASN : amide:sc= -0.0611 K(o=-0.061,f=-9.7!) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N LYS A 34 -5.906 -13.154 2.724 1.00 0.00 N ATOM 106 CA LYS A 34 -4.935 -12.283 3.362 1.00 0.00 C ATOM 107 C LYS A 34 -5.663 -11.150 4.079 1.00 0.00 C ATOM 108 O LYS A 34 -6.856 -10.934 3.853 1.00 0.00 O ATOM 109 CB LYS A 34 -3.987 -11.693 2.320 1.00 0.00 C ATOM 110 CG LYS A 34 -3.388 -12.709 1.355 1.00 0.00 C ATOM 111 CD LYS A 34 -2.366 -13.612 2.026 1.00 0.00 C ATOM 112 CE LYS A 34 -1.691 -14.522 1.012 1.00 0.00 C ATOM 113 NZ LYS A 34 -0.636 -15.366 1.630 1.00 0.00 N1+ ATOM 0 HA LYS A 34 -4.357 -12.865 4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.525 -10.940 1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.175 -11.180 2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.186 -13.319 0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.915 -12.183 0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.615 -13.004 2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.855 -14.215 2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.440 -15.163 0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.252 -13.917 0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.204 -15.970 0.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.093 -14.756 2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.058 -15.964 2.369 1.00 0.00 H new ATOM 127 N LYS A 35 -4.954 -10.420 4.927 1.00 0.00 N ATOM 128 CA LYS A 35 -5.552 -9.296 5.633 1.00 0.00 C ATOM 129 C LYS A 35 -4.931 -7.980 5.188 1.00 0.00 C ATOM 130 O LYS A 35 -3.823 -7.632 5.588 1.00 0.00 O ATOM 131 CB LYS A 35 -5.404 -9.453 7.147 1.00 0.00 C ATOM 132 CG LYS A 35 -6.210 -10.601 7.723 1.00 0.00 C ATOM 133 CD LYS A 35 -6.092 -10.653 9.236 1.00 0.00 C ATOM 134 CE LYS A 35 -7.002 -11.716 9.825 1.00 0.00 C ATOM 135 NZ LYS A 35 -6.940 -11.740 11.309 1.00 0.00 N1+ ATOM 0 H LYS A 35 -3.971 -10.584 5.142 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.614 -9.285 5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.351 -9.604 7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.711 -8.526 7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.257 -10.490 7.441 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.863 -11.542 7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.059 -10.860 9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.347 -9.680 9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.028 -11.531 9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.719 -12.693 9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.576 -12.479 11.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.966 -11.942 11.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.235 -10.816 11.684 1.00 0.00 H new ATOM 149 N PHE A 36 -5.650 -7.253 4.355 1.00 0.00 N ATOM 150 CA PHE A 36 -5.196 -5.957 3.887 1.00 0.00 C ATOM 151 C PHE A 36 -6.251 -4.908 4.197 1.00 0.00 C ATOM 152 O PHE A 36 -7.391 -5.032 3.764 1.00 0.00 O ATOM 153 CB PHE A 36 -4.909 -5.995 2.383 1.00 0.00 C ATOM 154 CG PHE A 36 -3.905 -7.042 1.987 1.00 0.00 C ATOM 155 CD1 PHE A 36 -2.634 -7.045 2.535 1.00 0.00 C ATOM 156 CD2 PHE A 36 -4.234 -8.027 1.069 1.00 0.00 C ATOM 157 CE1 PHE A 36 -1.711 -8.003 2.178 1.00 0.00 C ATOM 158 CE2 PHE A 36 -3.313 -8.988 0.704 1.00 0.00 C ATOM 159 CZ PHE A 36 -2.046 -8.976 1.261 1.00 0.00 C ATOM 0 H PHE A 36 -6.557 -7.540 3.986 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.270 -5.700 4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.841 -6.177 1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.546 -5.017 2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.362 -6.285 3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.223 -8.043 0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.724 -7.992 2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.581 -9.748 -0.015 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.322 -9.726 0.978 1.00 0.00 H new ATOM 169 N TRP A 37 -5.881 -3.895 4.962 1.00 0.00 N ATOM 170 CA TRP A 37 -6.828 -2.869 5.369 1.00 0.00 C ATOM 171 C TRP A 37 -6.720 -1.627 4.498 1.00 0.00 C ATOM 172 O TRP A 37 -5.635 -1.257 4.054 1.00 0.00 O ATOM 173 CB TRP A 37 -6.600 -2.479 6.828 1.00 0.00 C ATOM 174 CG TRP A 37 -6.992 -3.539 7.808 1.00 0.00 C ATOM 175 CD1 TRP A 37 -6.213 -4.559 8.276 1.00 0.00 C ATOM 176 CD2 TRP A 37 -8.263 -3.674 8.449 1.00 0.00 C ATOM 177 NE1 TRP A 37 -6.927 -5.319 9.172 1.00 0.00 N ATOM 178 CE2 TRP A 37 -8.187 -4.796 9.294 1.00 0.00 C ATOM 179 CE3 TRP A 37 -9.459 -2.954 8.390 1.00 0.00 C ATOM 180 CZ2 TRP A 37 -9.261 -5.212 10.075 1.00 0.00 C ATOM 181 CZ3 TRP A 37 -10.524 -3.368 9.166 1.00 0.00 C ATOM 182 CH2 TRP A 37 -10.418 -4.487 9.998 1.00 0.00 C ATOM 0 H TRP A 37 -4.933 -3.760 5.314 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.827 -3.289 5.251 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.546 -2.240 6.969 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -7.165 -1.572 7.044 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -5.189 -4.741 7.985 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.575 -6.139 9.666 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -9.549 -2.089 7.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.184 -6.076 10.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -11.453 -2.819 9.130 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -11.269 -4.785 10.593 1.00 0.00 H new ATOM 193 N ALA A 38 -7.857 -1.001 4.257 1.00 0.00 N ATOM 194 CA ALA A 38 -7.916 0.279 3.573 1.00 0.00 C ATOM 195 C ALA A 38 -8.883 1.194 4.310 1.00 0.00 C ATOM 196 O ALA A 38 -10.016 0.803 4.592 1.00 0.00 O ATOM 197 CB ALA A 38 -8.365 0.095 2.132 1.00 0.00 C ATOM 0 H ALA A 38 -8.769 -1.367 4.531 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.922 0.727 3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.403 1.065 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.659 -0.552 1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.355 -0.360 2.115 1.00 0.00 H new ATOM 203 N THR A 39 -8.442 2.390 4.656 1.00 0.00 N ATOM 204 CA THR A 39 -9.330 3.337 5.294 1.00 0.00 C ATOM 205 C THR A 39 -9.901 4.289 4.248 1.00 0.00 C ATOM 206 O THR A 39 -9.166 4.952 3.505 1.00 0.00 O ATOM 207 CB THR A 39 -8.654 4.107 6.462 1.00 0.00 C ATOM 208 OG1 THR A 39 -9.631 4.886 7.167 1.00 0.00 O ATOM 209 CG2 THR A 39 -7.535 5.017 5.983 1.00 0.00 C ATOM 0 H THR A 39 -7.489 2.723 4.508 1.00 0.00 H new ATOM 0 HA THR A 39 -10.146 2.774 5.748 1.00 0.00 H new ATOM 0 HB THR A 39 -8.216 3.362 7.126 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.521 4.499 7.027 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.095 5.533 6.837 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.770 4.422 5.485 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.937 5.750 5.284 1.00 0.00 H new ATOM 217 N VAL A 40 -11.220 4.306 4.166 1.00 0.00 N ATOM 218 CA VAL A 40 -11.920 5.061 3.149 1.00 0.00 C ATOM 219 C VAL A 40 -12.589 6.273 3.771 1.00 0.00 C ATOM 220 O VAL A 40 -13.105 6.202 4.890 1.00 0.00 O ATOM 221 CB VAL A 40 -12.994 4.201 2.449 1.00 0.00 C ATOM 222 CG1 VAL A 40 -13.280 4.724 1.053 1.00 0.00 C ATOM 223 CG2 VAL A 40 -12.581 2.737 2.412 1.00 0.00 C ATOM 0 H VAL A 40 -11.833 3.797 4.803 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.186 5.376 2.408 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.914 4.273 3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -14.040 4.102 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.640 5.751 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.366 4.695 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -13.355 2.153 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.643 2.637 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.449 2.370 3.430 1.00 0.00 H new ATOM 233 N GLU A 41 -12.580 7.374 3.051 1.00 0.00 N ATOM 234 CA GLU A 41 -13.185 8.597 3.525 1.00 0.00 C ATOM 235 C GLU A 41 -14.398 8.939 2.677 1.00 0.00 C ATOM 236 O GLU A 41 -14.379 8.805 1.452 1.00 0.00 O ATOM 237 CB GLU A 41 -12.172 9.742 3.483 1.00 0.00 C ATOM 238 CG GLU A 41 -12.678 11.024 4.123 1.00 0.00 C ATOM 239 CD GLU A 41 -11.634 12.119 4.132 1.00 0.00 C ATOM 240 OE1 GLU A 41 -11.571 12.896 3.154 1.00 0.00 O ATOM 241 OE2 GLU A 41 -10.875 12.212 5.121 1.00 0.00 O1- ATOM 0 H GLU A 41 -12.156 7.445 2.126 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.504 8.453 4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.260 9.428 3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.907 9.944 2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.560 11.372 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.991 10.816 5.146 1.00 0.00 H new ATOM 248 N SER A 42 -15.458 9.344 3.343 1.00 0.00 N ATOM 249 CA SER A 42 -16.658 9.797 2.680 1.00 0.00 C ATOM 250 C SER A 42 -16.744 11.314 2.785 1.00 0.00 C ATOM 251 O SER A 42 -15.737 11.973 3.048 1.00 0.00 O ATOM 252 CB SER A 42 -17.880 9.145 3.322 1.00 0.00 C ATOM 253 OG SER A 42 -17.785 7.731 3.272 1.00 0.00 O ATOM 0 H SER A 42 -15.510 9.368 4.361 1.00 0.00 H new ATOM 0 HA SER A 42 -16.629 9.514 1.628 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.969 9.471 4.358 1.00 0.00 H new ATOM 0 HB3 SER A 42 -18.784 9.471 2.807 1.00 0.00 H new ATOM 0 HG SER A 42 -18.147 7.409 2.420 1.00 0.00 H new ATOM 259 N SER A 43 -17.929 11.863 2.583 1.00 0.00 N ATOM 260 CA SER A 43 -18.127 13.299 2.667 1.00 0.00 C ATOM 261 C SER A 43 -17.774 13.835 4.057 1.00 0.00 C ATOM 262 O SER A 43 -17.113 14.866 4.185 1.00 0.00 O ATOM 263 CB SER A 43 -19.579 13.630 2.319 1.00 0.00 C ATOM 264 OG SER A 43 -20.473 12.777 3.015 1.00 0.00 O ATOM 0 H SER A 43 -18.772 11.334 2.359 1.00 0.00 H new ATOM 0 HA SER A 43 -17.460 13.783 1.954 1.00 0.00 H new ATOM 0 HB2 SER A 43 -19.790 14.669 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 43 -19.733 13.526 1.245 1.00 0.00 H new ATOM 0 HG SER A 43 -21.396 13.008 2.779 1.00 0.00 H new ATOM 270 N GLU A 44 -18.185 13.114 5.096 1.00 0.00 N ATOM 271 CA GLU A 44 -17.993 13.580 6.464 1.00 0.00 C ATOM 272 C GLU A 44 -17.294 12.542 7.340 1.00 0.00 C ATOM 273 O GLU A 44 -16.557 12.896 8.257 1.00 0.00 O ATOM 274 CB GLU A 44 -19.343 13.940 7.080 1.00 0.00 C ATOM 275 CG GLU A 44 -20.059 15.067 6.360 1.00 0.00 C ATOM 276 CD GLU A 44 -21.476 15.247 6.850 1.00 0.00 C ATOM 277 OE1 GLU A 44 -21.665 15.805 7.951 1.00 0.00 O ATOM 278 OE2 GLU A 44 -22.412 14.823 6.137 1.00 0.00 O1- ATOM 0 H GLU A 44 -18.651 12.210 5.017 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.350 14.459 6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.981 13.056 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.193 14.223 8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.506 15.996 6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -20.070 14.863 5.289 1.00 0.00 H new ATOM 285 N HIS A 45 -17.525 11.266 7.065 1.00 0.00 N ATOM 286 CA HIS A 45 -17.020 10.204 7.930 1.00 0.00 C ATOM 287 C HIS A 45 -15.936 9.390 7.237 1.00 0.00 C ATOM 288 O HIS A 45 -15.859 9.358 6.010 1.00 0.00 O ATOM 289 CB HIS A 45 -18.161 9.277 8.362 1.00 0.00 C ATOM 290 CG HIS A 45 -19.238 9.963 9.144 1.00 0.00 C ATOM 291 ND1 HIS A 45 -20.502 10.195 8.644 1.00 0.00 N ATOM 292 CD2 HIS A 45 -19.241 10.454 10.405 1.00 0.00 C ATOM 293 CE1 HIS A 45 -21.231 10.800 9.561 1.00 0.00 C ATOM 294 NE2 HIS A 45 -20.491 10.970 10.639 1.00 0.00 N ATOM 0 H HIS A 45 -18.055 10.940 6.256 1.00 0.00 H new ATOM 0 HA HIS A 45 -16.585 10.678 8.810 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -18.603 8.823 7.475 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -17.749 8.466 8.963 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -18.413 10.442 11.099 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -22.261 11.105 9.448 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -20.798 11.413 11.505 1.00 0.00 H new ATOM 303 N SER A 46 -15.107 8.735 8.035 1.00 0.00 N ATOM 304 CA SER A 46 -14.046 7.880 7.523 1.00 0.00 C ATOM 305 C SER A 46 -14.051 6.541 8.258 1.00 0.00 C ATOM 306 O SER A 46 -14.272 6.500 9.468 1.00 0.00 O ATOM 307 CB SER A 46 -12.695 8.577 7.688 1.00 0.00 C ATOM 308 OG SER A 46 -12.543 9.082 9.007 1.00 0.00 O ATOM 0 H SER A 46 -15.150 8.780 9.053 1.00 0.00 H new ATOM 0 HA SER A 46 -14.217 7.692 6.463 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.890 7.876 7.468 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.612 9.393 6.970 1.00 0.00 H new ATOM 0 HG SER A 46 -11.671 9.522 9.090 1.00 0.00 H new ATOM 314 N PHE A 47 -13.812 5.454 7.536 1.00 0.00 N ATOM 315 CA PHE A 47 -13.867 4.122 8.126 1.00 0.00 C ATOM 316 C PHE A 47 -12.739 3.242 7.601 1.00 0.00 C ATOM 317 O PHE A 47 -12.083 3.583 6.620 1.00 0.00 O ATOM 318 CB PHE A 47 -15.226 3.467 7.839 1.00 0.00 C ATOM 319 CG PHE A 47 -15.635 3.488 6.388 1.00 0.00 C ATOM 320 CD1 PHE A 47 -15.215 2.496 5.514 1.00 0.00 C ATOM 321 CD2 PHE A 47 -16.456 4.495 5.905 1.00 0.00 C ATOM 322 CE1 PHE A 47 -15.605 2.511 4.188 1.00 0.00 C ATOM 323 CE2 PHE A 47 -16.846 4.516 4.580 1.00 0.00 C ATOM 324 CZ PHE A 47 -16.420 3.524 3.721 1.00 0.00 C ATOM 0 H PHE A 47 -13.579 5.468 6.543 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.744 4.226 9.204 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.196 2.432 8.180 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.991 3.974 8.427 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.576 1.703 5.874 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -16.795 5.273 6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -15.273 1.732 3.518 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -17.484 5.308 4.217 1.00 0.00 H new ATOM 0 HZ PHE A 47 -16.723 3.539 2.685 1.00 0.00 H new ATOM 334 N GLU A 48 -12.510 2.118 8.266 1.00 0.00 N ATOM 335 CA GLU A 48 -11.512 1.154 7.823 1.00 0.00 C ATOM 336 C GLU A 48 -12.188 -0.146 7.411 1.00 0.00 C ATOM 337 O GLU A 48 -13.090 -0.636 8.098 1.00 0.00 O ATOM 338 CB GLU A 48 -10.476 0.896 8.923 1.00 0.00 C ATOM 339 CG GLU A 48 -11.079 0.465 10.251 1.00 0.00 C ATOM 340 CD GLU A 48 -10.027 0.140 11.287 1.00 0.00 C ATOM 341 OE1 GLU A 48 -9.471 1.080 11.892 1.00 0.00 O ATOM 342 OE2 GLU A 48 -9.748 -1.058 11.502 1.00 0.00 O1- ATOM 0 H GLU A 48 -13.004 1.851 9.117 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.991 1.568 6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.784 0.126 8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.892 1.803 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.723 1.259 10.629 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.711 -0.409 10.093 1.00 0.00 H new ATOM 349 N VAL A 49 -11.769 -0.694 6.283 1.00 0.00 N ATOM 350 CA VAL A 49 -12.368 -1.907 5.759 1.00 0.00 C ATOM 351 C VAL A 49 -11.298 -2.795 5.113 1.00 0.00 C ATOM 352 O VAL A 49 -10.396 -2.295 4.437 1.00 0.00 O ATOM 353 CB VAL A 49 -13.485 -1.563 4.739 1.00 0.00 C ATOM 354 CG1 VAL A 49 -12.919 -0.889 3.496 1.00 0.00 C ATOM 355 CG2 VAL A 49 -14.285 -2.801 4.366 1.00 0.00 C ATOM 0 H VAL A 49 -11.014 -0.316 5.712 1.00 0.00 H new ATOM 0 HA VAL A 49 -12.818 -2.458 6.585 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.160 -0.855 5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.730 -0.663 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.416 0.035 3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.206 -1.557 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -15.061 -2.531 3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.622 -3.542 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -14.747 -3.219 5.261 1.00 0.00 H new ATOM 365 N PRO A 50 -11.338 -4.116 5.367 1.00 0.00 N ATOM 366 CA PRO A 50 -10.416 -5.066 4.739 1.00 0.00 C ATOM 367 C PRO A 50 -10.703 -5.247 3.252 1.00 0.00 C ATOM 368 O PRO A 50 -11.855 -5.201 2.816 1.00 0.00 O ATOM 369 CB PRO A 50 -10.664 -6.382 5.492 1.00 0.00 C ATOM 370 CG PRO A 50 -11.478 -6.014 6.686 1.00 0.00 C ATOM 371 CD PRO A 50 -12.253 -4.790 6.298 1.00 0.00 C ATOM 0 HA PRO A 50 -9.384 -4.721 4.798 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.192 -7.099 4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.724 -6.848 5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.148 -6.827 6.967 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.840 -5.815 7.547 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.201 -5.043 5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.486 -4.166 7.161 1.00 0.00 H new ATOM 379 N ILE A 51 -9.650 -5.472 2.484 1.00 0.00 N ATOM 380 CA ILE A 51 -9.765 -5.642 1.045 1.00 0.00 C ATOM 381 C ILE A 51 -9.593 -7.109 0.687 1.00 0.00 C ATOM 382 O ILE A 51 -8.636 -7.754 1.117 1.00 0.00 O ATOM 383 CB ILE A 51 -8.701 -4.813 0.293 1.00 0.00 C ATOM 384 CG1 ILE A 51 -8.765 -3.344 0.721 1.00 0.00 C ATOM 385 CG2 ILE A 51 -8.884 -4.939 -1.214 1.00 0.00 C ATOM 386 CD1 ILE A 51 -10.093 -2.679 0.431 1.00 0.00 C ATOM 0 H ILE A 51 -8.696 -5.542 2.838 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.753 -5.293 0.745 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.717 -5.206 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.562 -3.278 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.975 -2.792 0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.124 -4.347 -1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.786 -5.985 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.873 -4.576 -1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.060 -1.641 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.290 -2.712 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.887 -3.205 0.962 1.00 0.00 H new ATOM 398 N TYR A 52 -10.521 -7.640 -0.089 1.00 0.00 N ATOM 399 CA TYR A 52 -10.497 -9.053 -0.420 1.00 0.00 C ATOM 400 C TYR A 52 -9.823 -9.267 -1.765 1.00 0.00 C ATOM 401 O TYR A 52 -10.375 -8.913 -2.806 1.00 0.00 O ATOM 402 CB TYR A 52 -11.919 -9.619 -0.472 1.00 0.00 C ATOM 403 CG TYR A 52 -12.664 -9.642 0.853 1.00 0.00 C ATOM 404 CD1 TYR A 52 -12.514 -8.629 1.794 1.00 0.00 C ATOM 405 CD2 TYR A 52 -13.538 -10.682 1.149 1.00 0.00 C ATOM 406 CE1 TYR A 52 -13.206 -8.653 2.988 1.00 0.00 C ATOM 407 CE2 TYR A 52 -14.233 -10.712 2.342 1.00 0.00 C ATOM 408 CZ TYR A 52 -14.063 -9.695 3.257 1.00 0.00 C ATOM 409 OH TYR A 52 -14.755 -9.720 4.447 1.00 0.00 O ATOM 0 H TYR A 52 -11.296 -7.118 -0.499 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.934 -9.573 0.355 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -12.499 -9.032 -1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.872 -10.636 -0.860 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -11.843 -7.808 1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -13.676 -11.480 0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -13.075 -7.858 3.707 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -14.907 -11.528 2.557 1.00 0.00 H new ATOM 0 HH TYR A 52 -15.318 -10.521 4.481 1.00 0.00 H new ATOM 419 N ALA A 53 -8.645 -9.868 -1.737 1.00 0.00 N ATOM 420 CA ALA A 53 -7.903 -10.159 -2.950 1.00 0.00 C ATOM 421 C ALA A 53 -6.969 -11.335 -2.735 1.00 0.00 C ATOM 422 O ALA A 53 -6.579 -11.618 -1.600 1.00 0.00 O ATOM 423 CB ALA A 53 -7.119 -8.944 -3.407 1.00 0.00 C ATOM 0 H ALA A 53 -8.180 -10.166 -0.879 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.619 -10.420 -3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.571 -9.186 -4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.806 -8.121 -3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.416 -8.650 -2.628 1.00 0.00 H new ATOM 429 N GLU A 54 -6.615 -12.014 -3.811 1.00 0.00 N ATOM 430 CA GLU A 54 -5.693 -13.139 -3.734 1.00 0.00 C ATOM 431 C GLU A 54 -4.303 -12.669 -3.321 1.00 0.00 C ATOM 432 O GLU A 54 -3.729 -13.164 -2.348 1.00 0.00 O ATOM 433 CB GLU A 54 -5.614 -13.853 -5.083 1.00 0.00 C ATOM 434 CG GLU A 54 -6.936 -14.440 -5.544 1.00 0.00 C ATOM 435 CD GLU A 54 -6.830 -15.114 -6.893 1.00 0.00 C ATOM 436 OE1 GLU A 54 -6.494 -16.315 -6.935 1.00 0.00 O ATOM 437 OE2 GLU A 54 -7.082 -14.450 -7.920 1.00 0.00 O1- ATOM 0 H GLU A 54 -6.951 -11.808 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.067 -13.833 -2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.257 -13.150 -5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.875 -14.652 -5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.286 -15.163 -4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.684 -13.648 -5.594 1.00 0.00 H new ATOM 444 N THR A 55 -3.781 -11.697 -4.053 1.00 0.00 N ATOM 445 CA THR A 55 -2.427 -11.220 -3.835 1.00 0.00 C ATOM 446 C THR A 55 -2.434 -9.765 -3.370 1.00 0.00 C ATOM 447 O THR A 55 -3.404 -9.042 -3.612 1.00 0.00 O ATOM 448 CB THR A 55 -1.597 -11.357 -5.129 1.00 0.00 C ATOM 449 OG1 THR A 55 -1.850 -12.637 -5.728 1.00 0.00 O ATOM 450 CG2 THR A 55 -0.109 -11.222 -4.847 1.00 0.00 C ATOM 0 H THR A 55 -4.278 -11.222 -4.806 1.00 0.00 H new ATOM 0 HA THR A 55 -1.972 -11.830 -3.055 1.00 0.00 H new ATOM 0 HB THR A 55 -1.893 -10.558 -5.808 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.324 -12.723 -6.550 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.448 -11.323 -5.778 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.091 -10.244 -4.409 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.202 -12.002 -4.152 1.00 0.00 H new ATOM 458 N LEU A 56 -1.365 -9.338 -2.703 1.00 0.00 N ATOM 459 CA LEU A 56 -1.272 -7.976 -2.189 1.00 0.00 C ATOM 460 C LEU A 56 -1.381 -6.967 -3.330 1.00 0.00 C ATOM 461 O LEU A 56 -2.109 -5.985 -3.225 1.00 0.00 O ATOM 462 CB LEU A 56 0.046 -7.795 -1.429 1.00 0.00 C ATOM 463 CG LEU A 56 0.033 -6.736 -0.321 1.00 0.00 C ATOM 464 CD1 LEU A 56 1.259 -6.884 0.564 1.00 0.00 C ATOM 465 CD2 LEU A 56 -0.030 -5.336 -0.902 1.00 0.00 C ATOM 0 H LEU A 56 -0.549 -9.918 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.099 -7.800 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.325 -8.752 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.825 -7.535 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.861 -6.891 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.237 -6.125 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.262 -7.875 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.159 -6.758 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.038 -4.606 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.840 -5.166 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.938 -5.229 -1.496 1.00 0.00 H new ATOM 477 N ASP A 57 -0.675 -7.243 -4.424 1.00 0.00 N ATOM 478 CA ASP A 57 -0.698 -6.387 -5.615 1.00 0.00 C ATOM 479 C ASP A 57 -2.126 -6.111 -6.072 1.00 0.00 C ATOM 480 O ASP A 57 -2.456 -5.002 -6.489 1.00 0.00 O ATOM 481 CB ASP A 57 0.089 -7.055 -6.749 1.00 0.00 C ATOM 482 CG ASP A 57 0.059 -6.257 -8.037 1.00 0.00 C ATOM 483 OD1 ASP A 57 0.869 -5.321 -8.180 1.00 0.00 O ATOM 484 OD2 ASP A 57 -0.759 -6.577 -8.925 1.00 0.00 O1- ATOM 0 H ASP A 57 -0.073 -8.061 -4.513 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.235 -5.435 -5.357 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.124 -7.190 -6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.321 -8.048 -6.933 1.00 0.00 H new ATOM 489 N GLU A 58 -2.971 -7.127 -5.970 1.00 0.00 N ATOM 490 CA GLU A 58 -4.364 -7.007 -6.368 1.00 0.00 C ATOM 491 C GLU A 58 -5.130 -6.127 -5.379 1.00 0.00 C ATOM 492 O GLU A 58 -5.868 -5.228 -5.777 1.00 0.00 O ATOM 493 CB GLU A 58 -5.002 -8.395 -6.437 1.00 0.00 C ATOM 494 CG GLU A 58 -6.392 -8.399 -7.048 1.00 0.00 C ATOM 495 CD GLU A 58 -6.367 -8.205 -8.548 1.00 0.00 C ATOM 496 OE1 GLU A 58 -6.334 -7.047 -9.010 1.00 0.00 O ATOM 497 OE2 GLU A 58 -6.377 -9.222 -9.274 1.00 0.00 O1- ATOM 0 H GLU A 58 -2.713 -8.047 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.409 -6.541 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.357 -9.053 -7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.056 -8.811 -5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.885 -9.343 -6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.988 -7.608 -6.593 1.00 0.00 H new ATOM 504 N ALA A 59 -4.932 -6.384 -4.086 1.00 0.00 N ATOM 505 CA ALA A 59 -5.601 -5.619 -3.035 1.00 0.00 C ATOM 506 C ALA A 59 -5.187 -4.156 -3.089 1.00 0.00 C ATOM 507 O ALA A 59 -5.999 -3.257 -2.868 1.00 0.00 O ATOM 508 CB ALA A 59 -5.281 -6.202 -1.667 1.00 0.00 C ATOM 0 H ALA A 59 -4.313 -7.117 -3.741 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.676 -5.682 -3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.787 -5.621 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.622 -7.236 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.205 -6.167 -1.499 1.00 0.00 H new ATOM 514 N LEU A 60 -3.913 -3.943 -3.386 1.00 0.00 N ATOM 515 CA LEU A 60 -3.351 -2.614 -3.573 1.00 0.00 C ATOM 516 C LEU A 60 -4.169 -1.826 -4.588 1.00 0.00 C ATOM 517 O LEU A 60 -4.478 -0.649 -4.388 1.00 0.00 O ATOM 518 CB LEU A 60 -1.911 -2.753 -4.065 1.00 0.00 C ATOM 519 CG LEU A 60 -1.224 -1.458 -4.486 1.00 0.00 C ATOM 520 CD1 LEU A 60 -0.874 -0.613 -3.273 1.00 0.00 C ATOM 521 CD2 LEU A 60 0.012 -1.773 -5.311 1.00 0.00 C ATOM 0 H LEU A 60 -3.234 -4.695 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.372 -2.077 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.320 -3.215 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.901 -3.439 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.912 -0.878 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.385 0.305 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.784 -0.366 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.201 -1.172 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.498 -0.844 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.704 -2.370 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.277 -2.332 -6.201 1.00 0.00 H new ATOM 533 N GLU A 61 -4.513 -2.492 -5.674 1.00 0.00 N ATOM 534 CA GLU A 61 -5.327 -1.896 -6.712 1.00 0.00 C ATOM 535 C GLU A 61 -6.770 -1.759 -6.250 1.00 0.00 C ATOM 536 O GLU A 61 -7.311 -0.654 -6.223 1.00 0.00 O ATOM 537 CB GLU A 61 -5.267 -2.747 -7.977 1.00 0.00 C ATOM 538 CG GLU A 61 -3.877 -2.833 -8.582 1.00 0.00 C ATOM 539 CD GLU A 61 -3.391 -1.502 -9.112 1.00 0.00 C ATOM 540 OE1 GLU A 61 -3.707 -1.177 -10.277 1.00 0.00 O ATOM 541 OE2 GLU A 61 -2.689 -0.774 -8.377 1.00 0.00 O1- ATOM 0 H GLU A 61 -4.237 -3.456 -5.859 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.935 -0.902 -6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.617 -3.753 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.952 -2.333 -8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.179 -3.197 -7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.881 -3.563 -9.392 1.00 0.00 H new ATOM 548 N LEU A 62 -7.366 -2.884 -5.857 1.00 0.00 N ATOM 549 CA LEU A 62 -8.787 -2.951 -5.515 1.00 0.00 C ATOM 550 C LEU A 62 -9.176 -1.968 -4.417 1.00 0.00 C ATOM 551 O LEU A 62 -10.236 -1.365 -4.494 1.00 0.00 O ATOM 552 CB LEU A 62 -9.177 -4.370 -5.093 1.00 0.00 C ATOM 553 CG LEU A 62 -9.012 -5.444 -6.170 1.00 0.00 C ATOM 554 CD1 LEU A 62 -9.503 -6.789 -5.658 1.00 0.00 C ATOM 555 CD2 LEU A 62 -9.753 -5.053 -7.441 1.00 0.00 C ATOM 0 H LEU A 62 -6.878 -3.775 -5.767 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.332 -2.672 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.576 -4.652 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.218 -4.361 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.952 -5.530 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.379 -7.542 -6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.926 -7.077 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.557 -6.714 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.622 -5.831 -8.193 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.814 -4.935 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.354 -4.112 -7.820 1.00 0.00 H new ATOM 567 N ALA A 63 -8.326 -1.799 -3.409 1.00 0.00 N ATOM 568 CA ALA A 63 -8.634 -0.897 -2.296 1.00 0.00 C ATOM 569 C ALA A 63 -9.156 0.445 -2.802 1.00 0.00 C ATOM 570 O ALA A 63 -10.199 0.929 -2.368 1.00 0.00 O ATOM 571 CB ALA A 63 -7.410 -0.694 -1.421 1.00 0.00 C ATOM 0 H ALA A 63 -7.424 -2.269 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.419 -1.359 -1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.657 -0.021 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.087 -1.654 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.606 -0.260 -2.015 1.00 0.00 H new ATOM 577 N GLU A 64 -8.421 1.030 -3.729 1.00 0.00 N ATOM 578 CA GLU A 64 -8.849 2.249 -4.395 1.00 0.00 C ATOM 579 C GLU A 64 -9.820 1.935 -5.531 1.00 0.00 C ATOM 580 O GLU A 64 -10.962 2.392 -5.537 1.00 0.00 O ATOM 581 CB GLU A 64 -7.630 2.977 -4.952 1.00 0.00 C ATOM 582 CG GLU A 64 -7.968 4.183 -5.806 1.00 0.00 C ATOM 583 CD GLU A 64 -6.867 4.500 -6.782 1.00 0.00 C ATOM 584 OE1 GLU A 64 -6.873 3.917 -7.889 1.00 0.00 O1- ATOM 585 OE2 GLU A 64 -5.976 5.294 -6.438 1.00 0.00 O ATOM 0 H GLU A 64 -7.516 0.678 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.360 2.881 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.001 3.298 -4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.042 2.277 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.894 3.996 -6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.145 5.046 -5.164 1.00 0.00 H new ATOM 592 N TRP A 65 -9.351 1.111 -6.464 1.00 0.00 N ATOM 593 CA TRP A 65 -10.019 0.888 -7.743 1.00 0.00 C ATOM 594 C TRP A 65 -11.441 0.347 -7.584 1.00 0.00 C ATOM 595 O TRP A 65 -12.277 0.526 -8.467 1.00 0.00 O ATOM 596 CB TRP A 65 -9.195 -0.078 -8.592 1.00 0.00 C ATOM 597 CG TRP A 65 -8.834 0.475 -9.934 1.00 0.00 C ATOM 598 CD1 TRP A 65 -7.768 1.274 -10.233 1.00 0.00 C ATOM 599 CD2 TRP A 65 -9.543 0.276 -11.160 1.00 0.00 C ATOM 600 NE1 TRP A 65 -7.770 1.580 -11.572 1.00 0.00 N ATOM 601 CE2 TRP A 65 -8.848 0.977 -12.164 1.00 0.00 C ATOM 602 CE3 TRP A 65 -10.698 -0.431 -11.506 1.00 0.00 C ATOM 603 CZ2 TRP A 65 -9.271 0.990 -13.490 1.00 0.00 C ATOM 604 CZ3 TRP A 65 -11.115 -0.416 -12.822 1.00 0.00 C ATOM 605 CH2 TRP A 65 -10.403 0.290 -13.801 1.00 0.00 C ATOM 0 H TRP A 65 -8.490 0.575 -6.353 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.097 1.857 -8.236 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -8.282 -0.335 -8.055 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.757 -1.002 -8.727 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.031 1.615 -9.521 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.081 2.162 -12.048 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -11.253 -0.978 -10.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -8.724 1.534 -14.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -12.006 -0.958 -13.102 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.756 0.281 -14.822 1.00 0.00 H new ATOM 616 N GLN A 66 -11.701 -0.331 -6.478 1.00 0.00 N ATOM 617 CA GLN A 66 -13.020 -0.890 -6.214 1.00 0.00 C ATOM 618 C GLN A 66 -13.952 0.152 -5.598 1.00 0.00 C ATOM 619 O GLN A 66 -15.127 0.239 -5.956 1.00 0.00 O ATOM 620 CB GLN A 66 -12.904 -2.098 -5.277 1.00 0.00 C ATOM 621 CG GLN A 66 -14.240 -2.613 -4.768 1.00 0.00 C ATOM 622 CD GLN A 66 -14.091 -3.698 -3.720 1.00 0.00 C ATOM 623 OE1 GLN A 66 -13.121 -4.455 -3.723 1.00 0.00 O ATOM 624 NE2 GLN A 66 -15.057 -3.783 -2.820 1.00 0.00 N ATOM 0 H GLN A 66 -11.014 -0.509 -5.745 1.00 0.00 H new ATOM 0 HA GLN A 66 -13.444 -1.208 -7.166 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.391 -2.904 -5.801 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.282 -1.826 -4.424 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.807 -1.783 -4.347 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.818 -3.001 -5.607 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -15.844 -3.135 -2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -15.015 -4.497 -2.092 1.00 0.00 H new ATOM 633 N TYR A 67 -13.424 0.955 -4.685 1.00 0.00 N ATOM 634 CA TYR A 67 -14.259 1.850 -3.891 1.00 0.00 C ATOM 635 C TYR A 67 -14.440 3.222 -4.534 1.00 0.00 C ATOM 636 O TYR A 67 -15.448 3.889 -4.291 1.00 0.00 O ATOM 637 CB TYR A 67 -13.688 1.988 -2.479 1.00 0.00 C ATOM 638 CG TYR A 67 -13.935 0.763 -1.627 1.00 0.00 C ATOM 639 CD1 TYR A 67 -15.211 0.476 -1.161 1.00 0.00 C ATOM 640 CD2 TYR A 67 -12.907 -0.114 -1.303 1.00 0.00 C ATOM 641 CE1 TYR A 67 -15.457 -0.646 -0.393 1.00 0.00 C ATOM 642 CE2 TYR A 67 -13.146 -1.241 -0.538 1.00 0.00 C ATOM 643 CZ TYR A 67 -14.423 -1.502 -0.086 1.00 0.00 C ATOM 644 OH TYR A 67 -14.670 -2.627 0.671 1.00 0.00 O ATOM 0 H TYR A 67 -12.427 1.006 -4.475 1.00 0.00 H new ATOM 0 HA TYR A 67 -15.250 1.399 -3.840 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.615 2.172 -2.542 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -14.133 2.858 -1.995 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -16.026 1.142 -1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.906 0.088 -1.654 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.455 -0.851 -0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -12.337 -1.914 -0.296 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.836 -3.126 0.797 1.00 0.00 H new ATOM 654 N VAL A 68 -13.498 3.645 -5.365 1.00 0.00 N ATOM 655 CA VAL A 68 -13.604 4.960 -5.990 1.00 0.00 C ATOM 656 C VAL A 68 -14.785 5.074 -6.983 1.00 0.00 C ATOM 657 O VAL A 68 -15.416 6.127 -7.036 1.00 0.00 O ATOM 658 CB VAL A 68 -12.281 5.440 -6.645 1.00 0.00 C ATOM 659 CG1 VAL A 68 -11.200 5.607 -5.586 1.00 0.00 C ATOM 660 CG2 VAL A 68 -11.805 4.504 -7.742 1.00 0.00 C ATOM 0 H VAL A 68 -12.667 3.111 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.815 5.636 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.483 6.404 -7.112 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.277 5.944 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.522 6.345 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -11.026 4.652 -5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.877 4.885 -8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.633 3.512 -7.325 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.564 4.443 -8.522 1.00 0.00 H new ATOM 670 N PRO A 69 -15.153 4.017 -7.764 1.00 0.00 N ATOM 671 CA PRO A 69 -16.315 4.090 -8.660 1.00 0.00 C ATOM 672 C PRO A 69 -17.631 4.023 -7.890 1.00 0.00 C ATOM 673 O PRO A 69 -18.714 4.145 -8.465 1.00 0.00 O ATOM 674 CB PRO A 69 -16.173 2.861 -9.570 1.00 0.00 C ATOM 675 CG PRO A 69 -14.822 2.303 -9.282 1.00 0.00 C ATOM 676 CD PRO A 69 -14.503 2.704 -7.875 1.00 0.00 C ATOM 0 HA PRO A 69 -16.337 5.031 -9.209 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.952 2.128 -9.363 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -16.267 3.138 -10.620 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.816 1.218 -9.390 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.081 2.696 -9.978 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.899 1.992 -7.150 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.428 2.767 -7.705 1.00 0.00 H new ATOM 684 N ALA A 70 -17.531 3.818 -6.586 1.00 0.00 N ATOM 685 CA ALA A 70 -18.700 3.783 -5.727 1.00 0.00 C ATOM 686 C ALA A 70 -18.911 5.142 -5.069 1.00 0.00 C ATOM 687 O ALA A 70 -19.820 5.320 -4.262 1.00 0.00 O ATOM 688 CB ALA A 70 -18.558 2.689 -4.679 1.00 0.00 C ATOM 0 H ALA A 70 -16.647 3.673 -6.099 1.00 0.00 H new ATOM 0 HA ALA A 70 -19.576 3.557 -6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -19.443 2.677 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -18.453 1.723 -5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -17.676 2.882 -4.069 1.00 0.00 H new ATOM 694 N GLY A 71 -18.063 6.100 -5.424 1.00 0.00 N ATOM 695 CA GLY A 71 -18.191 7.440 -4.883 1.00 0.00 C ATOM 696 C GLY A 71 -17.463 7.602 -3.564 1.00 0.00 C ATOM 697 O GLY A 71 -17.820 8.455 -2.751 1.00 0.00 O ATOM 0 H GLY A 71 -17.289 5.973 -6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.798 8.158 -5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -19.247 7.673 -4.743 1.00 0.00 H new ATOM 701 N PHE A 72 -16.448 6.779 -3.352 1.00 0.00 N ATOM 702 CA PHE A 72 -15.650 6.842 -2.136 1.00 0.00 C ATOM 703 C PHE A 72 -14.208 7.199 -2.469 1.00 0.00 C ATOM 704 O PHE A 72 -13.734 6.937 -3.575 1.00 0.00 O ATOM 705 CB PHE A 72 -15.690 5.502 -1.392 1.00 0.00 C ATOM 706 CG PHE A 72 -17.027 5.175 -0.791 1.00 0.00 C ATOM 707 CD1 PHE A 72 -18.018 4.583 -1.554 1.00 0.00 C ATOM 708 CD2 PHE A 72 -17.288 5.458 0.539 1.00 0.00 C ATOM 709 CE1 PHE A 72 -19.248 4.281 -1.003 1.00 0.00 C ATOM 710 CE2 PHE A 72 -18.516 5.158 1.095 1.00 0.00 C ATOM 711 CZ PHE A 72 -19.497 4.569 0.322 1.00 0.00 C ATOM 0 H PHE A 72 -16.156 6.056 -4.009 1.00 0.00 H new ATOM 0 HA PHE A 72 -16.072 7.614 -1.493 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -15.410 4.707 -2.082 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -14.941 5.516 -0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -17.828 4.354 -2.592 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -16.524 5.918 1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -20.014 3.820 -1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -18.709 5.384 2.133 1.00 0.00 H new ATOM 0 HZ PHE A 72 -20.458 4.334 0.755 1.00 0.00 H new ATOM 721 N GLU A 73 -13.518 7.810 -1.520 1.00 0.00 N ATOM 722 CA GLU A 73 -12.108 8.105 -1.687 1.00 0.00 C ATOM 723 C GLU A 73 -11.305 7.472 -0.565 1.00 0.00 C ATOM 724 O GLU A 73 -11.614 7.653 0.608 1.00 0.00 O ATOM 725 CB GLU A 73 -11.858 9.614 -1.710 1.00 0.00 C ATOM 726 CG GLU A 73 -10.384 9.962 -1.857 1.00 0.00 C ATOM 727 CD GLU A 73 -10.121 11.449 -1.885 1.00 0.00 C ATOM 728 OE1 GLU A 73 -9.993 12.056 -0.802 1.00 0.00 O ATOM 729 OE2 GLU A 73 -10.014 12.012 -2.995 1.00 0.00 O1- ATOM 0 H GLU A 73 -13.912 8.110 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.789 7.688 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.416 10.058 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.242 10.056 -0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.829 9.517 -1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.002 9.515 -2.775 1.00 0.00 H new ATOM 736 N VAL A 74 -10.288 6.713 -0.930 1.00 0.00 N ATOM 737 CA VAL A 74 -9.393 6.125 0.051 1.00 0.00 C ATOM 738 C VAL A 74 -8.535 7.214 0.682 1.00 0.00 C ATOM 739 O VAL A 74 -8.305 8.256 0.073 1.00 0.00 O ATOM 740 CB VAL A 74 -8.479 5.058 -0.589 1.00 0.00 C ATOM 741 CG1 VAL A 74 -9.310 3.969 -1.242 1.00 0.00 C ATOM 742 CG2 VAL A 74 -7.536 5.684 -1.602 1.00 0.00 C ATOM 0 H VAL A 74 -10.061 6.489 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.002 5.641 0.814 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.877 4.611 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.650 3.225 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.939 3.492 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.939 4.407 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.904 4.910 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.116 6.165 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.911 6.427 -1.107 1.00 0.00 H new ATOM 752 N THR A 75 -8.097 6.994 1.908 1.00 0.00 N ATOM 753 CA THR A 75 -7.212 7.935 2.576 1.00 0.00 C ATOM 754 C THR A 75 -5.849 7.301 2.815 1.00 0.00 C ATOM 755 O THR A 75 -4.813 7.914 2.556 1.00 0.00 O ATOM 756 CB THR A 75 -7.803 8.403 3.919 1.00 0.00 C ATOM 757 OG1 THR A 75 -9.156 8.832 3.729 1.00 0.00 O ATOM 758 CG2 THR A 75 -6.987 9.545 4.506 1.00 0.00 C ATOM 0 H THR A 75 -8.339 6.173 2.463 1.00 0.00 H new ATOM 0 HA THR A 75 -7.101 8.803 1.925 1.00 0.00 H new ATOM 0 HB THR A 75 -7.775 7.564 4.615 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.241 9.773 3.991 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.426 9.856 5.454 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.963 9.212 4.673 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.987 10.386 3.813 1.00 0.00 H new ATOM 766 N ARG A 76 -5.862 6.062 3.282 1.00 0.00 N ATOM 767 CA ARG A 76 -4.639 5.339 3.591 1.00 0.00 C ATOM 768 C ARG A 76 -4.933 3.850 3.684 1.00 0.00 C ATOM 769 O ARG A 76 -6.096 3.449 3.706 1.00 0.00 O ATOM 770 CB ARG A 76 -4.043 5.848 4.904 1.00 0.00 C ATOM 771 CG ARG A 76 -2.714 6.559 4.723 1.00 0.00 C ATOM 772 CD ARG A 76 -2.224 7.187 6.017 1.00 0.00 C ATOM 773 NE ARG A 76 -2.031 6.195 7.070 1.00 0.00 N ATOM 774 CZ ARG A 76 -1.704 6.492 8.325 1.00 0.00 C ATOM 775 NH1 ARG A 76 -1.525 7.756 8.692 1.00 0.00 N1+ ATOM 776 NH2 ARG A 76 -1.559 5.524 9.217 1.00 0.00 N ATOM 0 H ARG A 76 -6.716 5.532 3.457 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.913 5.507 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.751 6.529 5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.908 5.007 5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.970 5.850 4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.817 7.332 3.961 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.284 7.708 5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.943 7.935 6.351 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.155 5.212 6.828 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.638 8.506 8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.274 7.977 9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.698 4.552 8.942 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.308 5.751 10.179 1.00 0.00 H new ATOM 790 N VAL A 77 -3.892 3.034 3.720 1.00 0.00 N ATOM 791 CA VAL A 77 -4.064 1.591 3.797 1.00 0.00 C ATOM 792 C VAL A 77 -3.095 0.975 4.795 1.00 0.00 C ATOM 793 O VAL A 77 -2.056 1.554 5.111 1.00 0.00 O ATOM 794 CB VAL A 77 -3.858 0.907 2.429 1.00 0.00 C ATOM 795 CG1 VAL A 77 -4.946 1.305 1.445 1.00 0.00 C ATOM 796 CG2 VAL A 77 -2.488 1.244 1.872 1.00 0.00 C ATOM 0 H VAL A 77 -2.921 3.345 3.697 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.090 1.425 4.124 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.921 -0.171 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.773 0.807 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.918 1.009 1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.927 2.385 1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.357 0.755 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.402 2.323 1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.719 0.897 2.562 1.00 0.00 H new ATOM 806 N ARG A 78 -3.445 -0.201 5.281 1.00 0.00 N ATOM 807 CA ARG A 78 -2.592 -0.943 6.189 1.00 0.00 C ATOM 808 C ARG A 78 -2.584 -2.415 5.785 1.00 0.00 C ATOM 809 O ARG A 78 -3.328 -3.227 6.336 1.00 0.00 O ATOM 810 CB ARG A 78 -3.089 -0.779 7.631 1.00 0.00 C ATOM 811 CG ARG A 78 -2.148 -1.335 8.693 1.00 0.00 C ATOM 812 CD ARG A 78 -0.814 -0.603 8.703 1.00 0.00 C ATOM 813 NE ARG A 78 0.160 -1.204 7.792 1.00 0.00 N ATOM 814 CZ ARG A 78 0.812 -0.541 6.835 1.00 0.00 C ATOM 815 NH1 ARG A 78 0.577 0.749 6.622 1.00 0.00 N1+ ATOM 816 NH2 ARG A 78 1.702 -1.178 6.088 1.00 0.00 N ATOM 0 H ARG A 78 -4.325 -0.667 5.059 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.575 -0.555 6.134 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.252 0.281 7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.056 -1.273 7.727 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.616 -1.251 9.674 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.979 -2.396 8.510 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.973 0.439 8.425 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.410 -0.605 9.715 1.00 0.00 H new ATOM 0 HE ARG A 78 0.354 -2.200 7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.108 1.244 7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.082 1.245 5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.885 -2.169 6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.204 -0.677 5.355 1.00 0.00 H new ATOM 830 N PRO A 79 -1.768 -2.772 4.783 1.00 0.00 N ATOM 831 CA PRO A 79 -1.659 -4.146 4.307 1.00 0.00 C ATOM 832 C PRO A 79 -0.819 -5.007 5.242 1.00 0.00 C ATOM 833 O PRO A 79 0.300 -4.637 5.597 1.00 0.00 O ATOM 834 CB PRO A 79 -0.963 -4.017 2.942 1.00 0.00 C ATOM 835 CG PRO A 79 -0.827 -2.550 2.682 1.00 0.00 C ATOM 836 CD PRO A 79 -0.896 -1.875 4.021 1.00 0.00 C ATOM 0 HA PRO A 79 -2.634 -4.630 4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.013 -4.503 2.955 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -1.549 -4.499 2.159 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.117 -2.330 2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.623 -2.196 2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.089 -1.780 4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.312 -0.870 3.948 1.00 0.00 H new ATOM 844 N CYS A 80 -1.357 -6.147 5.641 1.00 0.00 N ATOM 845 CA CYS A 80 -0.622 -7.067 6.485 1.00 0.00 C ATOM 846 C CYS A 80 -0.215 -8.292 5.679 1.00 0.00 C ATOM 847 O CYS A 80 -1.064 -9.078 5.250 1.00 0.00 O ATOM 848 CB CYS A 80 -1.459 -7.475 7.700 1.00 0.00 C ATOM 849 SG CYS A 80 -0.550 -8.433 8.934 1.00 0.00 S ATOM 0 H CYS A 80 -2.297 -6.455 5.394 1.00 0.00 H new ATOM 0 HA CYS A 80 0.276 -6.568 6.849 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.855 -6.577 8.173 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.314 -8.059 7.359 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.341 -8.728 9.923 1.00 0.00 H new ATOM 943 N ILE B 26 10.349 6.385 7.977 1.00 0.00 N ATOM 944 CA ILE B 26 10.550 6.726 6.577 1.00 0.00 C ATOM 945 C ILE B 26 11.578 5.772 5.971 1.00 0.00 C ATOM 946 O ILE B 26 12.744 6.129 5.778 1.00 0.00 O ATOM 947 CB ILE B 26 11.031 8.185 6.412 1.00 0.00 C ATOM 948 CG1 ILE B 26 10.296 9.122 7.383 1.00 0.00 C ATOM 949 CG2 ILE B 26 10.813 8.649 4.979 1.00 0.00 C ATOM 950 CD1 ILE B 26 8.793 9.152 7.198 1.00 0.00 C ATOM 0 HA ILE B 26 9.596 6.630 6.059 1.00 0.00 H new ATOM 0 HB ILE B 26 12.096 8.219 6.643 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.519 8.816 8.405 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.686 10.132 7.261 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.155 9.678 4.874 1.00 0.00 H new ATOM 0 HG22 ILE B 26 11.375 8.008 4.300 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.752 8.593 4.736 1.00 0.00 H new ATOM 0 HD11 ILE B 26 8.351 9.837 7.922 1.00 0.00 H new ATOM 0 HD12 ILE B 26 8.557 9.489 6.189 1.00 0.00 H new ATOM 0 HD13 ILE B 26 8.388 8.152 7.351 1.00 0.00 H new ATOM 962 N LEU B 27 11.141 4.550 5.693 1.00 0.00 N ATOM 963 CA LEU B 27 12.045 3.500 5.258 1.00 0.00 C ATOM 964 C LEU B 27 11.367 2.546 4.279 1.00 0.00 C ATOM 965 O LEU B 27 10.156 2.606 4.068 1.00 0.00 O ATOM 966 CB LEU B 27 12.564 2.732 6.484 1.00 0.00 C ATOM 967 CG LEU B 27 11.492 2.128 7.411 1.00 0.00 C ATOM 968 CD1 LEU B 27 10.946 0.815 6.866 1.00 0.00 C ATOM 969 CD2 LEU B 27 12.052 1.924 8.809 1.00 0.00 C ATOM 0 H LEU B 27 10.164 4.264 5.762 1.00 0.00 H new ATOM 0 HA LEU B 27 12.882 3.962 4.735 1.00 0.00 H new ATOM 0 HB2 LEU B 27 13.209 1.926 6.135 1.00 0.00 H new ATOM 0 HB3 LEU B 27 13.186 3.406 7.073 1.00 0.00 H new ATOM 0 HG LEU B 27 10.665 2.836 7.458 1.00 0.00 H new ATOM 0 HD11 LEU B 27 10.193 0.422 7.549 1.00 0.00 H new ATOM 0 HD12 LEU B 27 10.495 0.986 5.889 1.00 0.00 H new ATOM 0 HD13 LEU B 27 11.759 0.095 6.769 1.00 0.00 H new ATOM 0 HD21 LEU B 27 11.282 1.497 9.451 1.00 0.00 H new ATOM 0 HD22 LEU B 27 12.904 1.246 8.764 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.372 2.883 9.216 1.00 0.00 H new ATOM 981 N ALA B 28 12.170 1.689 3.665 1.00 0.00 N ATOM 982 CA ALA B 28 11.661 0.628 2.811 1.00 0.00 C ATOM 983 C ALA B 28 11.652 -0.693 3.574 1.00 0.00 C ATOM 984 O ALA B 28 12.600 -1.004 4.290 1.00 0.00 O ATOM 985 CB ALA B 28 12.510 0.515 1.555 1.00 0.00 C ATOM 0 H ALA B 28 13.187 1.710 3.745 1.00 0.00 H new ATOM 0 HA ALA B 28 10.639 0.866 2.515 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.120 -0.283 0.923 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.480 1.458 1.009 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.540 0.288 1.831 1.00 0.00 H new ATOM 991 N GLU B 29 10.575 -1.459 3.419 1.00 0.00 N ATOM 992 CA GLU B 29 10.425 -2.736 4.120 1.00 0.00 C ATOM 993 C GLU B 29 11.339 -3.802 3.514 1.00 0.00 C ATOM 994 O GLU B 29 11.581 -4.848 4.114 1.00 0.00 O ATOM 995 CB GLU B 29 8.967 -3.197 4.056 1.00 0.00 C ATOM 996 CG GLU B 29 8.672 -4.447 4.872 1.00 0.00 C ATOM 997 CD GLU B 29 8.913 -4.254 6.357 1.00 0.00 C ATOM 998 OE1 GLU B 29 8.010 -3.732 7.045 1.00 0.00 O1- ATOM 999 OE2 GLU B 29 10.000 -4.632 6.848 1.00 0.00 O ATOM 0 H GLU B 29 9.790 -1.219 2.813 1.00 0.00 H new ATOM 0 HA GLU B 29 10.712 -2.593 5.162 1.00 0.00 H new ATOM 0 HB2 GLU B 29 8.326 -2.388 4.407 1.00 0.00 H new ATOM 0 HB3 GLU B 29 8.702 -3.385 3.015 1.00 0.00 H new ATOM 0 HG2 GLU B 29 7.635 -4.742 4.713 1.00 0.00 H new ATOM 0 HG3 GLU B 29 9.295 -5.265 4.511 1.00 0.00 H new ATOM 1006 N ILE B 30 11.838 -3.523 2.322 1.00 0.00 N ATOM 1007 CA ILE B 30 12.735 -4.431 1.618 1.00 0.00 C ATOM 1008 C ILE B 30 13.741 -3.629 0.813 1.00 0.00 C ATOM 1009 O ILE B 30 13.486 -2.472 0.472 1.00 0.00 O ATOM 1010 CB ILE B 30 11.965 -5.369 0.660 1.00 0.00 C ATOM 1011 CG1 ILE B 30 10.913 -4.579 -0.123 1.00 0.00 C ATOM 1012 CG2 ILE B 30 11.326 -6.522 1.422 1.00 0.00 C ATOM 1013 CD1 ILE B 30 10.157 -5.406 -1.136 1.00 0.00 C ATOM 0 H ILE B 30 11.635 -2.663 1.813 1.00 0.00 H new ATOM 0 HA ILE B 30 13.240 -5.042 2.366 1.00 0.00 H new ATOM 0 HB ILE B 30 12.675 -5.795 -0.049 1.00 0.00 H new ATOM 0 HG12 ILE B 30 10.202 -4.144 0.579 1.00 0.00 H new ATOM 0 HG13 ILE B 30 11.402 -3.751 -0.636 1.00 0.00 H new ATOM 0 HG21 ILE B 30 10.791 -7.167 0.725 1.00 0.00 H new ATOM 0 HG22 ILE B 30 12.101 -7.098 1.927 1.00 0.00 H new ATOM 0 HG23 ILE B 30 10.628 -6.128 2.160 1.00 0.00 H new ATOM 0 HD11 ILE B 30 9.430 -4.777 -1.650 1.00 0.00 H new ATOM 0 HD12 ILE B 30 10.856 -5.820 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE B 30 9.638 -6.219 -0.628 1.00 0.00 H new ATOM 1025 N SER B 31 14.884 -4.226 0.522 1.00 0.00 N ATOM 1026 CA SER B 31 15.869 -3.568 -0.307 1.00 0.00 C ATOM 1027 C SER B 31 15.589 -3.858 -1.767 1.00 0.00 C ATOM 1028 O SER B 31 15.256 -4.984 -2.152 1.00 0.00 O ATOM 1029 CB SER B 31 17.285 -4.017 0.036 1.00 0.00 C ATOM 1030 OG SER B 31 18.255 -3.227 -0.633 1.00 0.00 O ATOM 0 H SER B 31 15.148 -5.157 0.846 1.00 0.00 H new ATOM 0 HA SER B 31 15.798 -2.497 -0.119 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.439 -3.950 1.113 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.413 -5.064 -0.240 1.00 0.00 H new ATOM 0 HG SER B 31 17.816 -2.463 -1.061 1.00 0.00 H new ATOM 1036 N GLY B 32 15.731 -2.834 -2.566 1.00 0.00 N ATOM 1037 CA GLY B 32 15.501 -2.949 -3.980 1.00 0.00 C ATOM 1038 C GLY B 32 15.232 -1.611 -4.612 1.00 0.00 C ATOM 1039 O GLY B 32 15.670 -0.580 -4.102 1.00 0.00 O ATOM 0 H GLY B 32 16.008 -1.902 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY B 32 16.369 -3.407 -4.454 1.00 0.00 H new ATOM 0 HA3 GLY B 32 14.654 -3.612 -4.158 1.00 0.00 H new ATOM 1043 N ILE B 33 14.518 -1.625 -5.718 1.00 0.00 N ATOM 1044 CA ILE B 33 14.182 -0.407 -6.427 1.00 0.00 C ATOM 1045 C ILE B 33 12.751 0.008 -6.107 1.00 0.00 C ATOM 1046 O ILE B 33 11.797 -0.643 -6.532 1.00 0.00 O ATOM 1047 CB ILE B 33 14.334 -0.600 -7.949 1.00 0.00 C ATOM 1048 CG1 ILE B 33 15.755 -1.063 -8.289 1.00 0.00 C ATOM 1049 CG2 ILE B 33 13.994 0.684 -8.689 1.00 0.00 C ATOM 1050 CD1 ILE B 33 16.828 -0.021 -8.031 1.00 0.00 C ATOM 0 H ILE B 33 14.156 -2.475 -6.149 1.00 0.00 H new ATOM 0 HA ILE B 33 14.868 0.375 -6.102 1.00 0.00 H new ATOM 0 HB ILE B 33 13.635 -1.372 -8.271 1.00 0.00 H new ATOM 0 HG12 ILE B 33 15.983 -1.955 -7.706 1.00 0.00 H new ATOM 0 HG13 ILE B 33 15.789 -1.351 -9.340 1.00 0.00 H new ATOM 0 HG21 ILE B 33 14.108 0.527 -9.762 1.00 0.00 H new ATOM 0 HG22 ILE B 33 12.965 0.968 -8.471 1.00 0.00 H new ATOM 0 HG23 ILE B 33 14.666 1.479 -8.366 1.00 0.00 H new ATOM 0 HD11 ILE B 33 17.803 -0.429 -8.298 1.00 0.00 H new ATOM 0 HD12 ILE B 33 16.628 0.864 -8.634 1.00 0.00 H new ATOM 0 HD13 ILE B 33 16.825 0.251 -6.975 1.00 0.00 H new ATOM 1062 N VAL B 34 12.603 1.075 -5.342 1.00 0.00 N ATOM 1063 CA VAL B 34 11.283 1.570 -4.994 1.00 0.00 C ATOM 1064 C VAL B 34 10.704 2.380 -6.143 1.00 0.00 C ATOM 1065 O VAL B 34 11.368 3.245 -6.701 1.00 0.00 O ATOM 1066 CB VAL B 34 11.299 2.420 -3.701 1.00 0.00 C ATOM 1067 CG1 VAL B 34 12.318 3.543 -3.797 1.00 0.00 C ATOM 1068 CG2 VAL B 34 9.912 2.982 -3.408 1.00 0.00 C ATOM 0 H VAL B 34 13.376 1.613 -4.951 1.00 0.00 H new ATOM 0 HA VAL B 34 10.652 0.701 -4.807 1.00 0.00 H new ATOM 0 HB VAL B 34 11.590 1.769 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL B 34 12.307 4.124 -2.875 1.00 0.00 H new ATOM 0 HG12 VAL B 34 13.311 3.121 -3.949 1.00 0.00 H new ATOM 0 HG13 VAL B 34 12.067 4.191 -4.637 1.00 0.00 H new ATOM 0 HG21 VAL B 34 9.946 3.576 -2.495 1.00 0.00 H new ATOM 0 HG22 VAL B 34 9.591 3.611 -4.239 1.00 0.00 H new ATOM 0 HG23 VAL B 34 9.206 2.161 -3.281 1.00 0.00 H new ATOM 1078 N SER B 35 9.479 2.068 -6.517 1.00 0.00 N ATOM 1079 CA SER B 35 8.805 2.778 -7.584 1.00 0.00 C ATOM 1080 C SER B 35 7.400 3.168 -7.152 1.00 0.00 C ATOM 1081 O SER B 35 6.939 2.761 -6.083 1.00 0.00 O ATOM 1082 CB SER B 35 8.774 1.918 -8.848 1.00 0.00 C ATOM 1083 OG SER B 35 8.706 0.533 -8.531 1.00 0.00 O ATOM 0 H SER B 35 8.927 1.322 -6.094 1.00 0.00 H new ATOM 0 HA SER B 35 9.355 3.692 -7.807 1.00 0.00 H new ATOM 0 HB2 SER B 35 7.915 2.196 -9.458 1.00 0.00 H new ATOM 0 HB3 SER B 35 9.665 2.113 -9.445 1.00 0.00 H new ATOM 0 HG SER B 35 8.390 0.423 -7.610 1.00 0.00 H new ATOM 1089 N PHE B 36 6.727 3.957 -7.971 1.00 0.00 N ATOM 1090 CA PHE B 36 5.392 4.423 -7.644 1.00 0.00 C ATOM 1091 C PHE B 36 4.447 4.175 -8.810 1.00 0.00 C ATOM 1092 O PHE B 36 4.846 4.261 -9.970 1.00 0.00 O ATOM 1093 CB PHE B 36 5.407 5.914 -7.293 1.00 0.00 C ATOM 1094 CG PHE B 36 6.306 6.271 -6.139 1.00 0.00 C ATOM 1095 CD1 PHE B 36 6.192 5.622 -4.919 1.00 0.00 C ATOM 1096 CD2 PHE B 36 7.264 7.259 -6.276 1.00 0.00 C ATOM 1097 CE1 PHE B 36 7.016 5.954 -3.862 1.00 0.00 C ATOM 1098 CE2 PHE B 36 8.090 7.596 -5.222 1.00 0.00 C ATOM 1099 CZ PHE B 36 7.965 6.943 -4.014 1.00 0.00 C ATOM 0 H PHE B 36 7.084 4.288 -8.867 1.00 0.00 H new ATOM 0 HA PHE B 36 5.041 3.866 -6.775 1.00 0.00 H new ATOM 0 HB2 PHE B 36 5.721 6.479 -8.171 1.00 0.00 H new ATOM 0 HB3 PHE B 36 4.391 6.230 -7.058 1.00 0.00 H new ATOM 0 HD1 PHE B 36 5.450 4.847 -4.794 1.00 0.00 H new ATOM 0 HD2 PHE B 36 7.367 7.774 -7.220 1.00 0.00 H new ATOM 0 HE1 PHE B 36 6.917 5.440 -2.917 1.00 0.00 H new ATOM 0 HE2 PHE B 36 8.833 8.370 -5.344 1.00 0.00 H new ATOM 0 HZ PHE B 36 8.609 7.206 -3.188 1.00 0.00 H new ATOM 1109 N GLY B 37 3.201 3.865 -8.495 1.00 0.00 N ATOM 1110 CA GLY B 37 2.213 3.620 -9.525 1.00 0.00 C ATOM 1111 C GLY B 37 1.028 4.551 -9.411 1.00 0.00 C ATOM 1112 O GLY B 37 1.101 5.567 -8.707 1.00 0.00 O ATOM 0 H GLY B 37 2.853 3.778 -7.540 1.00 0.00 H new ATOM 0 HA2 GLY B 37 2.675 3.740 -10.505 1.00 0.00 H new ATOM 0 HA3 GLY B 37 1.870 2.588 -9.459 1.00 0.00 H new ATOM 1116 N LYS B 38 -0.070 4.183 -10.074 1.00 0.00 N ATOM 1117 CA LYS B 38 -1.265 5.022 -10.144 1.00 0.00 C ATOM 1118 C LYS B 38 -1.760 5.412 -8.753 1.00 0.00 C ATOM 1119 O LYS B 38 -1.681 4.627 -7.804 1.00 0.00 O ATOM 1120 CB LYS B 38 -2.376 4.311 -10.949 1.00 0.00 C ATOM 1121 CG LYS B 38 -2.855 2.982 -10.377 1.00 0.00 C ATOM 1122 CD LYS B 38 -3.821 3.163 -9.219 1.00 0.00 C ATOM 1123 CE LYS B 38 -4.257 1.832 -8.643 1.00 0.00 C ATOM 1124 NZ LYS B 38 -5.122 2.007 -7.453 1.00 0.00 N1+ ATOM 0 H LYS B 38 -0.155 3.299 -10.575 1.00 0.00 H new ATOM 0 HA LYS B 38 -0.998 5.943 -10.662 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -3.231 4.983 -11.025 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -2.013 4.140 -11.963 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -3.340 2.405 -11.164 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -1.995 2.403 -10.041 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -3.348 3.760 -8.439 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -4.696 3.718 -9.558 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -4.794 1.265 -9.403 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -3.378 1.248 -8.371 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -5.303 1.081 -7.016 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -4.646 2.626 -6.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -6.024 2.437 -7.740 1.00 0.00 H new ATOM 1138 N GLU B 39 -2.230 6.641 -8.632 1.00 0.00 N ATOM 1139 CA GLU B 39 -2.752 7.135 -7.373 1.00 0.00 C ATOM 1140 C GLU B 39 -4.119 7.787 -7.552 1.00 0.00 C ATOM 1141 O GLU B 39 -4.507 8.127 -8.670 1.00 0.00 O ATOM 1142 CB GLU B 39 -1.751 8.098 -6.729 1.00 0.00 C ATOM 1143 CG GLU B 39 -0.719 8.678 -7.693 1.00 0.00 C ATOM 1144 CD GLU B 39 -1.138 10.000 -8.303 1.00 0.00 C ATOM 1145 OE1 GLU B 39 -1.978 10.001 -9.224 1.00 0.00 O ATOM 1146 OE2 GLU B 39 -0.605 11.050 -7.874 1.00 0.00 O1- ATOM 0 H GLU B 39 -2.260 7.317 -9.395 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.891 6.287 -6.703 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.301 8.919 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.228 7.576 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU B 39 0.224 8.814 -7.164 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.536 7.960 -8.492 1.00 0.00 H new ATOM 1153 N THR B 40 -4.856 7.927 -6.460 1.00 0.00 N ATOM 1154 CA THR B 40 -6.190 8.506 -6.503 1.00 0.00 C ATOM 1155 C THR B 40 -6.129 9.986 -6.881 1.00 0.00 C ATOM 1156 O THR B 40 -6.384 10.360 -8.029 1.00 0.00 O ATOM 1157 CB THR B 40 -6.887 8.344 -5.144 1.00 0.00 C ATOM 1158 OG1 THR B 40 -6.513 7.088 -4.563 1.00 0.00 O ATOM 1159 CG2 THR B 40 -8.400 8.406 -5.293 1.00 0.00 C ATOM 0 H THR B 40 -4.550 7.646 -5.528 1.00 0.00 H new ATOM 0 HA THR B 40 -6.763 7.976 -7.264 1.00 0.00 H new ATOM 0 HB THR B 40 -6.573 9.163 -4.496 1.00 0.00 H new ATOM 0 HG1 THR B 40 -6.399 6.421 -5.272 1.00 0.00 H new ATOM 0 HG21 THR B 40 -8.867 8.288 -4.315 1.00 0.00 H new ATOM 0 HG22 THR B 40 -8.685 9.369 -5.718 1.00 0.00 H new ATOM 0 HG23 THR B 40 -8.734 7.605 -5.953 1.00 0.00 H new ATOM 1167 N LYS B 41 -5.791 10.820 -5.905 1.00 0.00 N ATOM 1168 CA LYS B 41 -5.562 12.240 -6.137 1.00 0.00 C ATOM 1169 C LYS B 41 -4.342 12.666 -5.339 1.00 0.00 C ATOM 1170 O LYS B 41 -3.295 12.987 -5.893 1.00 0.00 O ATOM 1171 CB LYS B 41 -6.771 13.087 -5.711 1.00 0.00 C ATOM 1172 CG LYS B 41 -8.099 12.614 -6.278 1.00 0.00 C ATOM 1173 CD LYS B 41 -9.241 13.516 -5.838 1.00 0.00 C ATOM 1174 CE LYS B 41 -10.595 12.926 -6.203 1.00 0.00 C ATOM 1175 NZ LYS B 41 -10.830 11.622 -5.525 1.00 0.00 N1+ ATOM 0 H LYS B 41 -5.668 10.532 -4.934 1.00 0.00 H new ATOM 0 HA LYS B 41 -5.406 12.398 -7.204 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -6.834 13.087 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.604 14.119 -6.021 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -8.046 12.596 -7.367 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -8.293 11.592 -5.951 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -9.189 13.669 -4.760 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -9.133 14.495 -6.305 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -11.383 13.627 -5.927 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -10.653 12.790 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -11.843 11.517 -5.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -10.523 10.847 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -10.288 11.589 -4.638 1.00 0.00 H new ATOM 1189 N GLY B 42 -4.479 12.619 -4.024 1.00 0.00 N ATOM 1190 CA GLY B 42 -3.378 12.953 -3.152 1.00 0.00 C ATOM 1191 C GLY B 42 -2.684 11.719 -2.620 1.00 0.00 C ATOM 1192 O GLY B 42 -2.319 11.655 -1.450 1.00 0.00 O ATOM 0 H GLY B 42 -5.339 12.354 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY B 42 -2.660 13.568 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY B 42 -3.744 13.551 -2.318 1.00 0.00 H new ATOM 1196 N LYS B 43 -2.506 10.724 -3.470 1.00 0.00 N ATOM 1197 CA LYS B 43 -1.867 9.481 -3.059 1.00 0.00 C ATOM 1198 C LYS B 43 -0.641 9.201 -3.912 1.00 0.00 C ATOM 1199 O LYS B 43 -0.295 9.994 -4.788 1.00 0.00 O ATOM 1200 CB LYS B 43 -2.847 8.303 -3.149 1.00 0.00 C ATOM 1201 CG LYS B 43 -3.645 8.028 -1.878 1.00 0.00 C ATOM 1202 CD LYS B 43 -4.414 9.245 -1.389 1.00 0.00 C ATOM 1203 CE LYS B 43 -5.479 8.854 -0.393 1.00 0.00 C ATOM 1204 NZ LYS B 43 -6.285 10.025 0.045 1.00 0.00 N1+ ATOM 0 H LYS B 43 -2.793 10.749 -4.448 1.00 0.00 H new ATOM 0 HA LYS B 43 -1.556 9.594 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -3.545 8.493 -3.964 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -2.288 7.404 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -4.344 7.213 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -2.966 7.694 -1.094 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -3.725 9.953 -0.929 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -4.874 9.753 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -6.136 8.107 -0.838 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -5.011 8.390 0.475 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -7.277 9.737 0.169 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -5.913 10.384 0.947 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -6.229 10.774 -0.675 1.00 0.00 H new ATOM 1218 N ARG B 44 0.025 8.094 -3.623 1.00 0.00 N ATOM 1219 CA ARG B 44 1.154 7.637 -4.412 1.00 0.00 C ATOM 1220 C ARG B 44 1.376 6.142 -4.170 1.00 0.00 C ATOM 1221 O ARG B 44 1.690 5.724 -3.056 1.00 0.00 O ATOM 1222 CB ARG B 44 2.392 8.458 -4.053 1.00 0.00 C ATOM 1223 CG ARG B 44 3.619 8.115 -4.872 1.00 0.00 C ATOM 1224 CD ARG B 44 4.652 9.221 -4.785 1.00 0.00 C ATOM 1225 NE ARG B 44 4.222 10.420 -5.501 1.00 0.00 N ATOM 1226 CZ ARG B 44 4.837 11.597 -5.429 1.00 0.00 C ATOM 1227 NH1 ARG B 44 5.902 11.753 -4.654 1.00 0.00 N1+ ATOM 1228 NH2 ARG B 44 4.384 12.622 -6.136 1.00 0.00 N ATOM 0 H ARG B 44 -0.203 7.488 -2.835 1.00 0.00 H new ATOM 0 HA ARG B 44 0.953 7.778 -5.474 1.00 0.00 H new ATOM 0 HB2 ARG B 44 2.164 9.516 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.620 8.310 -2.997 1.00 0.00 H new ATOM 0 HG2 ARG B 44 4.050 7.180 -4.515 1.00 0.00 H new ATOM 0 HG3 ARG B 44 3.335 7.958 -5.913 1.00 0.00 H new ATOM 0 HD2 ARG B 44 4.834 9.467 -3.739 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.597 8.869 -5.199 1.00 0.00 H new ATOM 0 HE ARG B 44 3.396 10.350 -6.095 1.00 0.00 H new ATOM 0 HH11 ARG B 44 6.255 10.967 -4.108 1.00 0.00 H new ATOM 0 HH12 ARG B 44 6.368 12.659 -4.604 1.00 0.00 H new ATOM 0 HH21 ARG B 44 3.565 12.507 -6.734 1.00 0.00 H new ATOM 0 HH22 ARG B 44 4.854 13.526 -6.083 1.00 0.00 H new ATOM 1242 N ARG B 45 1.192 5.332 -5.207 1.00 0.00 N ATOM 1243 CA ARG B 45 1.226 3.881 -5.042 1.00 0.00 C ATOM 1244 C ARG B 45 2.655 3.379 -4.841 1.00 0.00 C ATOM 1245 O ARG B 45 3.400 3.220 -5.805 1.00 0.00 O ATOM 1246 CB ARG B 45 0.601 3.198 -6.259 1.00 0.00 C ATOM 1247 CG ARG B 45 0.296 1.726 -6.041 1.00 0.00 C ATOM 1248 CD ARG B 45 -0.191 1.057 -7.318 1.00 0.00 C ATOM 1249 NE ARG B 45 0.882 0.891 -8.297 1.00 0.00 N ATOM 1250 CZ ARG B 45 0.736 0.257 -9.462 1.00 0.00 C ATOM 1251 NH1 ARG B 45 -0.426 -0.299 -9.785 1.00 0.00 N1+ ATOM 1252 NH2 ARG B 45 1.760 0.164 -10.300 1.00 0.00 N ATOM 0 H ARG B 45 1.020 5.649 -6.161 1.00 0.00 H new ATOM 0 HA ARG B 45 0.649 3.631 -4.151 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -0.321 3.716 -6.522 1.00 0.00 H new ATOM 0 HB3 ARG B 45 1.277 3.298 -7.108 1.00 0.00 H new ATOM 0 HG2 ARG B 45 1.191 1.218 -5.683 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -0.462 1.622 -5.264 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -0.615 0.082 -7.077 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -0.992 1.653 -7.756 1.00 0.00 H new ATOM 0 HE ARG B 45 1.797 1.283 -8.076 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -1.215 -0.243 -9.141 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -0.530 -0.782 -10.677 1.00 0.00 H new ATOM 0 HH21 ARG B 45 2.660 0.577 -10.054 1.00 0.00 H new ATOM 0 HH22 ARG B 45 1.648 -0.321 -11.190 1.00 0.00 H new ATOM 1266 N LEU B 46 3.024 3.125 -3.592 1.00 0.00 N ATOM 1267 CA LEU B 46 4.351 2.617 -3.265 1.00 0.00 C ATOM 1268 C LEU B 46 4.492 1.166 -3.704 1.00 0.00 C ATOM 1269 O LEU B 46 3.808 0.283 -3.184 1.00 0.00 O ATOM 1270 CB LEU B 46 4.610 2.711 -1.758 1.00 0.00 C ATOM 1271 CG LEU B 46 5.974 2.185 -1.300 1.00 0.00 C ATOM 1272 CD1 LEU B 46 7.033 3.268 -1.410 1.00 0.00 C ATOM 1273 CD2 LEU B 46 5.898 1.645 0.118 1.00 0.00 C ATOM 0 H LEU B 46 2.418 3.264 -2.783 1.00 0.00 H new ATOM 0 HA LEU B 46 5.081 3.229 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU B 46 4.519 3.754 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU B 46 3.830 2.157 -1.236 1.00 0.00 H new ATOM 0 HG LEU B 46 6.259 1.364 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU B 46 7.994 2.873 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU B 46 7.112 3.595 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU B 46 6.754 4.115 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU B 46 6.879 1.277 0.420 1.00 0.00 H new ATOM 0 HD22 LEU B 46 5.584 2.441 0.794 1.00 0.00 H new ATOM 0 HD23 LEU B 46 5.176 0.829 0.158 1.00 0.00 H new ATOM 1285 N VAL B 47 5.362 0.924 -4.667 1.00 0.00 N ATOM 1286 CA VAL B 47 5.660 -0.430 -5.101 1.00 0.00 C ATOM 1287 C VAL B 47 7.169 -0.656 -5.113 1.00 0.00 C ATOM 1288 O VAL B 47 7.885 -0.164 -5.989 1.00 0.00 O ATOM 1289 CB VAL B 47 5.044 -0.747 -6.492 1.00 0.00 C ATOM 1290 CG1 VAL B 47 3.530 -0.844 -6.391 1.00 0.00 C ATOM 1291 CG2 VAL B 47 5.425 0.298 -7.530 1.00 0.00 C ATOM 0 H VAL B 47 5.877 1.650 -5.166 1.00 0.00 H new ATOM 0 HA VAL B 47 5.202 -1.115 -4.387 1.00 0.00 H new ATOM 0 HB VAL B 47 5.449 -1.706 -6.816 1.00 0.00 H new ATOM 0 HG11 VAL B 47 3.113 -1.066 -7.373 1.00 0.00 H new ATOM 0 HG12 VAL B 47 3.262 -1.639 -5.695 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.128 0.103 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL B 47 4.975 0.040 -8.488 1.00 0.00 H new ATOM 0 HG22 VAL B 47 5.064 1.276 -7.211 1.00 0.00 H new ATOM 0 HG23 VAL B 47 6.510 0.328 -7.635 1.00 0.00 H new ATOM 1301 N ILE B 48 7.664 -1.371 -4.113 1.00 0.00 N ATOM 1302 CA ILE B 48 9.093 -1.619 -4.007 1.00 0.00 C ATOM 1303 C ILE B 48 9.454 -2.889 -4.755 1.00 0.00 C ATOM 1304 O ILE B 48 8.771 -3.908 -4.632 1.00 0.00 O ATOM 1305 CB ILE B 48 9.567 -1.734 -2.540 1.00 0.00 C ATOM 1306 CG1 ILE B 48 9.023 -0.563 -1.716 1.00 0.00 C ATOM 1307 CG2 ILE B 48 11.098 -1.765 -2.476 1.00 0.00 C ATOM 1308 CD1 ILE B 48 9.329 -0.664 -0.237 1.00 0.00 C ATOM 0 H ILE B 48 7.102 -1.786 -3.370 1.00 0.00 H new ATOM 0 HA ILE B 48 9.600 -0.762 -4.450 1.00 0.00 H new ATOM 0 HB ILE B 48 9.184 -2.664 -2.120 1.00 0.00 H new ATOM 0 HG12 ILE B 48 9.442 0.366 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE B 48 7.943 -0.506 -1.851 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.417 -1.846 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE B 48 11.468 -2.623 -3.037 1.00 0.00 H new ATOM 0 HG23 ILE B 48 11.499 -0.848 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE B 48 8.912 0.200 0.281 1.00 0.00 H new ATOM 0 HD12 ILE B 48 8.887 -1.576 0.165 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.409 -0.689 -0.090 1.00 0.00 H new ATOM 1320 N THR B 49 10.508 -2.813 -5.543 1.00 0.00 N ATOM 1321 CA THR B 49 10.978 -3.947 -6.314 1.00 0.00 C ATOM 1322 C THR B 49 12.165 -4.605 -5.611 1.00 0.00 C ATOM 1323 O THR B 49 13.297 -4.138 -5.734 1.00 0.00 O ATOM 1324 CB THR B 49 11.385 -3.501 -7.733 1.00 0.00 C ATOM 1325 OG1 THR B 49 10.302 -2.788 -8.345 1.00 0.00 O ATOM 1326 CG2 THR B 49 11.762 -4.698 -8.594 1.00 0.00 C ATOM 0 H THR B 49 11.062 -1.965 -5.667 1.00 0.00 H new ATOM 0 HA THR B 49 10.168 -4.672 -6.395 1.00 0.00 H new ATOM 0 HB THR B 49 12.255 -2.849 -7.651 1.00 0.00 H new ATOM 0 HG1 THR B 49 10.564 -2.505 -9.246 1.00 0.00 H new ATOM 0 HG21 THR B 49 12.045 -4.356 -9.589 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.602 -5.224 -8.139 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.910 -5.373 -8.671 1.00 0.00 H new ATOM 1334 N PRO B 50 11.918 -5.686 -4.843 1.00 0.00 N ATOM 1335 CA PRO B 50 12.967 -6.366 -4.075 1.00 0.00 C ATOM 1336 C PRO B 50 14.061 -6.944 -4.963 1.00 0.00 C ATOM 1337 O PRO B 50 13.785 -7.687 -5.906 1.00 0.00 O ATOM 1338 CB PRO B 50 12.229 -7.496 -3.347 1.00 0.00 C ATOM 1339 CG PRO B 50 10.955 -7.680 -4.098 1.00 0.00 C ATOM 1340 CD PRO B 50 10.605 -6.332 -4.667 1.00 0.00 C ATOM 0 HA PRO B 50 13.474 -5.673 -3.404 1.00 0.00 H new ATOM 0 HB2 PRO B 50 12.819 -8.412 -3.343 1.00 0.00 H new ATOM 0 HB3 PRO B 50 12.038 -7.235 -2.306 1.00 0.00 H new ATOM 0 HG2 PRO B 50 11.074 -8.418 -4.891 1.00 0.00 H new ATOM 0 HG3 PRO B 50 10.165 -8.042 -3.441 1.00 0.00 H new ATOM 0 HD2 PRO B 50 10.071 -6.421 -5.613 1.00 0.00 H new ATOM 0 HD3 PRO B 50 9.965 -5.764 -3.992 1.00 0.00 H new ATOM 1348 N VAL B 51 15.298 -6.589 -4.663 1.00 0.00 N ATOM 1349 CA VAL B 51 16.441 -7.145 -5.371 1.00 0.00 C ATOM 1350 C VAL B 51 17.086 -8.237 -4.530 1.00 0.00 C ATOM 1351 O VAL B 51 17.946 -8.984 -5.001 1.00 0.00 O ATOM 1352 CB VAL B 51 17.491 -6.067 -5.703 1.00 0.00 C ATOM 1353 CG1 VAL B 51 16.889 -5.001 -6.607 1.00 0.00 C ATOM 1354 CG2 VAL B 51 18.056 -5.447 -4.432 1.00 0.00 C ATOM 0 H VAL B 51 15.538 -5.918 -3.934 1.00 0.00 H new ATOM 0 HA VAL B 51 16.076 -7.560 -6.311 1.00 0.00 H new ATOM 0 HB VAL B 51 18.315 -6.543 -6.235 1.00 0.00 H new ATOM 0 HG11 VAL B 51 17.643 -4.247 -6.832 1.00 0.00 H new ATOM 0 HG12 VAL B 51 16.547 -5.461 -7.534 1.00 0.00 H new ATOM 0 HG13 VAL B 51 16.045 -4.531 -6.103 1.00 0.00 H new ATOM 0 HG21 VAL B 51 18.795 -4.689 -4.694 1.00 0.00 H new ATOM 0 HG22 VAL B 51 17.249 -4.986 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL B 51 18.529 -6.222 -3.828 1.00 0.00 H new ATOM 1364 N ASP B 52 16.654 -8.321 -3.279 1.00 0.00 N ATOM 1365 CA ASP B 52 17.187 -9.301 -2.351 1.00 0.00 C ATOM 1366 C ASP B 52 16.113 -9.754 -1.371 1.00 0.00 C ATOM 1367 O ASP B 52 15.750 -9.022 -0.450 1.00 0.00 O ATOM 1368 CB ASP B 52 18.375 -8.717 -1.585 1.00 0.00 C ATOM 1369 CG ASP B 52 19.035 -9.740 -0.686 1.00 0.00 C ATOM 1370 OD1 ASP B 52 19.841 -10.548 -1.195 1.00 0.00 O ATOM 1371 OD2 ASP B 52 18.751 -9.746 0.531 1.00 0.00 O1- ATOM 0 H ASP B 52 15.932 -7.718 -2.885 1.00 0.00 H new ATOM 0 HA ASP B 52 17.523 -10.165 -2.925 1.00 0.00 H new ATOM 0 HB2 ASP B 52 19.108 -8.332 -2.294 1.00 0.00 H new ATOM 0 HB3 ASP B 52 18.038 -7.872 -0.985 1.00 0.00 H new ATOM 1376 N GLY B 53 15.579 -10.944 -1.595 1.00 0.00 N ATOM 1377 CA GLY B 53 14.636 -11.520 -0.659 1.00 0.00 C ATOM 1378 C GLY B 53 13.420 -12.102 -1.344 1.00 0.00 C ATOM 1379 O GLY B 53 12.813 -13.046 -0.839 1.00 0.00 O ATOM 0 H GLY B 53 15.782 -11.523 -2.410 1.00 0.00 H new ATOM 0 HA2 GLY B 53 15.132 -12.301 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY B 53 14.318 -10.754 0.049 1.00 0.00 H new ATOM 1383 N SER B 54 13.069 -11.537 -2.496 1.00 0.00 N ATOM 1384 CA SER B 54 11.896 -11.962 -3.255 1.00 0.00 C ATOM 1385 C SER B 54 10.627 -11.889 -2.408 1.00 0.00 C ATOM 1386 O SER B 54 9.759 -12.761 -2.478 1.00 0.00 O ATOM 1387 CB SER B 54 12.095 -13.371 -3.808 1.00 0.00 C ATOM 1388 OG SER B 54 13.177 -13.411 -4.728 1.00 0.00 O ATOM 0 H SER B 54 13.588 -10.773 -2.929 1.00 0.00 H new ATOM 0 HA SER B 54 11.775 -11.275 -4.093 1.00 0.00 H new ATOM 0 HB2 SER B 54 12.285 -14.063 -2.988 1.00 0.00 H new ATOM 0 HB3 SER B 54 11.182 -13.704 -4.301 1.00 0.00 H new ATOM 0 HG SER B 54 13.285 -14.324 -5.066 1.00 0.00 H new ATOM 1394 N ASP B 55 10.526 -10.835 -1.614 1.00 0.00 N ATOM 1395 CA ASP B 55 9.355 -10.616 -0.774 1.00 0.00 C ATOM 1396 C ASP B 55 8.706 -9.290 -1.150 1.00 0.00 C ATOM 1397 O ASP B 55 9.010 -8.256 -0.557 1.00 0.00 O ATOM 1398 CB ASP B 55 9.748 -10.607 0.708 1.00 0.00 C ATOM 1399 CG ASP B 55 8.564 -10.853 1.629 1.00 0.00 C ATOM 1400 OD1 ASP B 55 7.830 -9.894 1.946 1.00 0.00 O ATOM 1401 OD2 ASP B 55 8.361 -12.016 2.046 1.00 0.00 O1- ATOM 0 H ASP B 55 11.243 -10.114 -1.532 1.00 0.00 H new ATOM 0 HA ASP B 55 8.646 -11.428 -0.935 1.00 0.00 H new ATOM 0 HB2 ASP B 55 10.505 -11.371 0.884 1.00 0.00 H new ATOM 0 HB3 ASP B 55 10.201 -9.647 0.954 1.00 0.00 H new ATOM 1406 N PRO B 56 7.824 -9.304 -2.162 1.00 0.00 N ATOM 1407 CA PRO B 56 7.205 -8.086 -2.702 1.00 0.00 C ATOM 1408 C PRO B 56 6.440 -7.298 -1.645 1.00 0.00 C ATOM 1409 O PRO B 56 5.651 -7.860 -0.883 1.00 0.00 O ATOM 1410 CB PRO B 56 6.242 -8.612 -3.773 1.00 0.00 C ATOM 1411 CG PRO B 56 6.751 -9.966 -4.119 1.00 0.00 C ATOM 1412 CD PRO B 56 7.349 -10.513 -2.856 1.00 0.00 C ATOM 0 HA PRO B 56 7.954 -7.393 -3.085 1.00 0.00 H new ATOM 0 HB2 PRO B 56 5.220 -8.659 -3.396 1.00 0.00 H new ATOM 0 HB3 PRO B 56 6.230 -7.960 -4.647 1.00 0.00 H new ATOM 0 HG2 PRO B 56 5.946 -10.606 -4.480 1.00 0.00 H new ATOM 0 HG3 PRO B 56 7.496 -9.913 -4.913 1.00 0.00 H new ATOM 0 HD2 PRO B 56 6.613 -11.055 -2.263 1.00 0.00 H new ATOM 0 HD3 PRO B 56 8.165 -11.206 -3.063 1.00 0.00 H new ATOM 1420 N TYR B 57 6.680 -5.997 -1.597 1.00 0.00 N ATOM 1421 CA TYR B 57 6.000 -5.135 -0.648 1.00 0.00 C ATOM 1422 C TYR B 57 5.437 -3.916 -1.359 1.00 0.00 C ATOM 1423 O TYR B 57 6.185 -3.057 -1.838 1.00 0.00 O ATOM 1424 CB TYR B 57 6.951 -4.699 0.470 1.00 0.00 C ATOM 1425 CG TYR B 57 6.271 -3.930 1.584 1.00 0.00 C ATOM 1426 CD1 TYR B 57 5.622 -4.597 2.617 1.00 0.00 C ATOM 1427 CD2 TYR B 57 6.280 -2.539 1.608 1.00 0.00 C ATOM 1428 CE1 TYR B 57 5.002 -3.903 3.638 1.00 0.00 C ATOM 1429 CE2 TYR B 57 5.663 -1.838 2.628 1.00 0.00 C ATOM 1430 CZ TYR B 57 5.026 -2.524 3.639 1.00 0.00 C ATOM 1431 OH TYR B 57 4.413 -1.829 4.657 1.00 0.00 O ATOM 0 H TYR B 57 7.342 -5.516 -2.206 1.00 0.00 H new ATOM 0 HA TYR B 57 5.180 -5.697 -0.201 1.00 0.00 H new ATOM 0 HB2 TYR B 57 7.431 -5.582 0.891 1.00 0.00 H new ATOM 0 HB3 TYR B 57 7.740 -4.080 0.043 1.00 0.00 H new ATOM 0 HD1 TYR B 57 5.602 -5.677 2.621 1.00 0.00 H new ATOM 0 HD2 TYR B 57 6.777 -1.998 0.817 1.00 0.00 H new ATOM 0 HE1 TYR B 57 4.501 -4.438 4.431 1.00 0.00 H new ATOM 0 HE2 TYR B 57 5.680 -0.758 2.632 1.00 0.00 H new ATOM 0 HH TYR B 57 3.980 -1.029 4.292 1.00 0.00 H new ATOM 1441 N GLU B 58 4.120 -3.859 -1.442 1.00 0.00 N ATOM 1442 CA GLU B 58 3.440 -2.736 -2.055 1.00 0.00 C ATOM 1443 C GLU B 58 2.473 -2.117 -1.052 1.00 0.00 C ATOM 1444 O GLU B 58 1.880 -2.826 -0.239 1.00 0.00 O ATOM 1445 CB GLU B 58 2.677 -3.176 -3.311 1.00 0.00 C ATOM 1446 CG GLU B 58 3.533 -3.844 -4.387 1.00 0.00 C ATOM 1447 CD GLU B 58 3.831 -5.307 -4.108 1.00 0.00 C ATOM 1448 OE1 GLU B 58 2.974 -6.000 -3.518 1.00 0.00 O1- ATOM 1449 OE2 GLU B 58 4.923 -5.773 -4.494 1.00 0.00 O ATOM 0 H GLU B 58 3.497 -4.585 -1.089 1.00 0.00 H new ATOM 0 HA GLU B 58 4.186 -1.998 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU B 58 1.888 -3.867 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU B 58 2.190 -2.303 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU B 58 3.023 -3.763 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.474 -3.302 -4.479 1.00 0.00 H new ATOM 1456 N GLU B 59 2.320 -0.801 -1.099 1.00 0.00 N ATOM 1457 CA GLU B 59 1.419 -0.109 -0.190 1.00 0.00 C ATOM 1458 C GLU B 59 0.926 1.194 -0.808 1.00 0.00 C ATOM 1459 O GLU B 59 1.678 1.907 -1.466 1.00 0.00 O ATOM 1460 CB GLU B 59 2.119 0.171 1.145 1.00 0.00 C ATOM 1461 CG GLU B 59 1.186 0.702 2.222 1.00 0.00 C ATOM 1462 CD GLU B 59 1.868 0.875 3.564 1.00 0.00 C ATOM 1463 OE1 GLU B 59 2.674 0.003 3.944 1.00 0.00 O1- ATOM 1464 OE2 GLU B 59 1.585 1.878 4.254 1.00 0.00 O ATOM 0 H GLU B 59 2.808 -0.192 -1.756 1.00 0.00 H new ATOM 0 HA GLU B 59 0.558 -0.752 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU B 59 2.585 -0.748 1.501 1.00 0.00 H new ATOM 0 HB3 GLU B 59 2.920 0.892 0.982 1.00 0.00 H new ATOM 0 HG2 GLU B 59 0.779 1.661 1.901 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.344 0.019 2.334 1.00 0.00 H new ATOM 1471 N MET B 60 -0.348 1.487 -0.614 1.00 0.00 N ATOM 1472 CA MET B 60 -0.928 2.730 -1.102 1.00 0.00 C ATOM 1473 C MET B 60 -0.683 3.849 -0.096 1.00 0.00 C ATOM 1474 O MET B 60 -1.477 4.080 0.818 1.00 0.00 O ATOM 1475 CB MET B 60 -2.425 2.537 -1.390 1.00 0.00 C ATOM 1476 CG MET B 60 -3.194 3.830 -1.614 1.00 0.00 C ATOM 1477 SD MET B 60 -4.571 3.631 -2.759 1.00 0.00 S ATOM 1478 CE MET B 60 -5.546 2.396 -1.909 1.00 0.00 C ATOM 0 H MET B 60 -1.004 0.881 -0.121 1.00 0.00 H new ATOM 0 HA MET B 60 -0.447 3.014 -2.038 1.00 0.00 H new ATOM 0 HB2 MET B 60 -2.534 1.906 -2.272 1.00 0.00 H new ATOM 0 HB3 MET B 60 -2.877 2.000 -0.556 1.00 0.00 H new ATOM 0 HG2 MET B 60 -3.571 4.194 -0.658 1.00 0.00 H new ATOM 0 HG3 MET B 60 -2.514 4.590 -1.998 1.00 0.00 H new ATOM 0 HE1 MET B 60 -6.493 2.257 -2.431 1.00 0.00 H new ATOM 0 HE2 MET B 60 -5.001 1.452 -1.889 1.00 0.00 H new ATOM 0 HE3 MET B 60 -5.739 2.725 -0.888 1.00 0.00 H new ATOM 1488 N ILE B 61 0.439 4.528 -0.265 1.00 0.00 N ATOM 1489 CA ILE B 61 0.843 5.583 0.646 1.00 0.00 C ATOM 1490 C ILE B 61 0.433 6.939 0.087 1.00 0.00 C ATOM 1491 O ILE B 61 0.592 7.205 -1.098 1.00 0.00 O ATOM 1492 CB ILE B 61 2.371 5.546 0.892 1.00 0.00 C ATOM 1493 CG1 ILE B 61 2.762 4.230 1.570 1.00 0.00 C ATOM 1494 CG2 ILE B 61 2.819 6.732 1.735 1.00 0.00 C ATOM 1495 CD1 ILE B 61 4.220 4.154 1.968 1.00 0.00 C ATOM 0 H ILE B 61 1.091 4.364 -1.032 1.00 0.00 H new ATOM 0 HA ILE B 61 0.341 5.424 1.600 1.00 0.00 H new ATOM 0 HB ILE B 61 2.875 5.611 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE B 61 2.146 4.093 2.458 1.00 0.00 H new ATOM 0 HG13 ILE B 61 2.536 3.404 0.895 1.00 0.00 H new ATOM 0 HG21 ILE B 61 3.896 6.680 1.892 1.00 0.00 H new ATOM 0 HG22 ILE B 61 2.572 7.660 1.219 1.00 0.00 H new ATOM 0 HG23 ILE B 61 2.310 6.706 2.699 1.00 0.00 H new ATOM 0 HD11 ILE B 61 4.418 3.192 2.442 1.00 0.00 H new ATOM 0 HD12 ILE B 61 4.845 4.257 1.081 1.00 0.00 H new ATOM 0 HD13 ILE B 61 4.448 4.957 2.668 1.00 0.00 H new ATOM 1507 N PRO B 62 -0.146 7.800 0.928 1.00 0.00 N ATOM 1508 CA PRO B 62 -0.584 9.131 0.512 1.00 0.00 C ATOM 1509 C PRO B 62 0.576 10.025 0.076 1.00 0.00 C ATOM 1510 O PRO B 62 1.701 9.899 0.557 1.00 0.00 O ATOM 1511 CB PRO B 62 -1.249 9.694 1.766 1.00 0.00 C ATOM 1512 CG PRO B 62 -0.672 8.917 2.894 1.00 0.00 C ATOM 1513 CD PRO B 62 -0.426 7.543 2.350 1.00 0.00 C ATOM 0 HA PRO B 62 -1.243 9.085 -0.355 1.00 0.00 H new ATOM 0 HB2 PRO B 62 -1.045 10.759 1.876 1.00 0.00 H new ATOM 0 HB3 PRO B 62 -2.332 9.580 1.722 1.00 0.00 H new ATOM 0 HG2 PRO B 62 0.254 9.370 3.249 1.00 0.00 H new ATOM 0 HG3 PRO B 62 -1.358 8.887 3.741 1.00 0.00 H new ATOM 0 HD2 PRO B 62 0.414 7.056 2.846 1.00 0.00 H new ATOM 0 HD3 PRO B 62 -1.293 6.895 2.481 1.00 0.00 H new ATOM 1521 N LYS B 63 0.265 10.954 -0.819 1.00 0.00 N ATOM 1522 CA LYS B 63 1.256 11.836 -1.426 1.00 0.00 C ATOM 1523 C LYS B 63 1.774 12.854 -0.412 1.00 0.00 C ATOM 1524 O LYS B 63 2.779 13.529 -0.642 1.00 0.00 O ATOM 1525 CB LYS B 63 0.614 12.555 -2.599 1.00 0.00 C ATOM 1526 CG LYS B 63 1.603 13.234 -3.519 1.00 0.00 C ATOM 1527 CD LYS B 63 1.201 13.027 -4.959 1.00 0.00 C ATOM 1528 CE LYS B 63 -0.180 13.606 -5.239 1.00 0.00 C ATOM 1529 NZ LYS B 63 -0.593 13.423 -6.655 1.00 0.00 N1+ ATOM 0 H LYS B 63 -0.687 11.118 -1.147 1.00 0.00 H new ATOM 0 HA LYS B 63 2.103 11.241 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS B 63 0.030 11.838 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -0.083 13.301 -2.217 1.00 0.00 H new ATOM 0 HG2 LYS B 63 1.646 14.300 -3.295 1.00 0.00 H new ATOM 0 HG3 LYS B 63 2.602 12.832 -3.351 1.00 0.00 H new ATOM 0 HD2 LYS B 63 1.934 13.497 -5.614 1.00 0.00 H new ATOM 0 HD3 LYS B 63 1.204 11.962 -5.190 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -0.911 13.129 -4.585 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -0.182 14.669 -4.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -1.631 13.409 -6.715 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -0.223 14.208 -7.229 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -0.214 12.524 -7.014 1.00 0.00 H new ATOM 1543 N TRP B 64 1.073 12.954 0.710 1.00 0.00 N ATOM 1544 CA TRP B 64 1.407 13.924 1.748 1.00 0.00 C ATOM 1545 C TRP B 64 2.327 13.294 2.787 1.00 0.00 C ATOM 1546 O TRP B 64 2.745 13.944 3.742 1.00 0.00 O ATOM 1547 CB TRP B 64 0.134 14.454 2.432 1.00 0.00 C ATOM 1548 CG TRP B 64 -1.141 14.009 1.771 1.00 0.00 C ATOM 1549 CD1 TRP B 64 -1.623 14.409 0.556 1.00 0.00 C ATOM 1550 CD2 TRP B 64 -2.102 13.084 2.298 1.00 0.00 C ATOM 1551 NE1 TRP B 64 -2.809 13.775 0.288 1.00 0.00 N ATOM 1552 CE2 TRP B 64 -3.124 12.954 1.339 1.00 0.00 C ATOM 1553 CE3 TRP B 64 -2.195 12.343 3.482 1.00 0.00 C ATOM 1554 CZ2 TRP B 64 -4.220 12.114 1.523 1.00 0.00 C ATOM 1555 CZ3 TRP B 64 -3.285 11.514 3.665 1.00 0.00 C ATOM 1556 CH2 TRP B 64 -4.282 11.402 2.689 1.00 0.00 C ATOM 0 H TRP B 64 0.264 12.372 0.926 1.00 0.00 H new ATOM 0 HA TRP B 64 1.922 14.760 1.275 1.00 0.00 H new ATOM 0 HB2 TRP B 64 0.127 14.125 3.471 1.00 0.00 H new ATOM 0 HB3 TRP B 64 0.165 15.543 2.443 1.00 0.00 H new ATOM 0 HD1 TRP B 64 -1.140 15.121 -0.097 1.00 0.00 H new ATOM 0 HE1 TRP B 64 -3.367 13.895 -0.557 1.00 0.00 H new ATOM 0 HE3 TRP B 64 -1.428 12.418 4.239 1.00 0.00 H new ATOM 0 HZ2 TRP B 64 -4.992 12.028 0.773 1.00 0.00 H new ATOM 0 HZ3 TRP B 64 -3.369 10.942 4.577 1.00 0.00 H new ATOM 0 HH2 TRP B 64 -5.118 10.740 2.860 1.00 0.00 H new ATOM 1567 N ARG B 65 2.637 12.021 2.588 1.00 0.00 N ATOM 1568 CA ARG B 65 3.517 11.292 3.486 1.00 0.00 C ATOM 1569 C ARG B 65 4.959 11.431 3.030 1.00 0.00 C ATOM 1570 O ARG B 65 5.247 11.389 1.833 1.00 0.00 O ATOM 1571 CB ARG B 65 3.106 9.815 3.529 1.00 0.00 C ATOM 1572 CG ARG B 65 3.983 8.936 4.409 1.00 0.00 C ATOM 1573 CD ARG B 65 4.004 9.412 5.856 1.00 0.00 C ATOM 1574 NE ARG B 65 2.660 9.597 6.402 1.00 0.00 N ATOM 1575 CZ ARG B 65 2.330 9.374 7.674 1.00 0.00 C ATOM 1576 NH1 ARG B 65 3.230 8.908 8.535 1.00 0.00 N1+ ATOM 1577 NH2 ARG B 65 1.089 9.609 8.086 1.00 0.00 N ATOM 0 H ARG B 65 2.288 11.469 1.805 1.00 0.00 H new ATOM 0 HA ARG B 65 3.431 11.709 4.489 1.00 0.00 H new ATOM 0 HB2 ARG B 65 2.077 9.748 3.883 1.00 0.00 H new ATOM 0 HB3 ARG B 65 3.120 9.418 2.514 1.00 0.00 H new ATOM 0 HG2 ARG B 65 3.620 7.909 4.371 1.00 0.00 H new ATOM 0 HG3 ARG B 65 4.999 8.929 4.015 1.00 0.00 H new ATOM 0 HD2 ARG B 65 4.544 8.688 6.466 1.00 0.00 H new ATOM 0 HD3 ARG B 65 4.551 10.353 5.918 1.00 0.00 H new ATOM 0 HE ARG B 65 1.928 9.917 5.768 1.00 0.00 H new ATOM 0 HH11 ARG B 65 4.183 8.718 8.224 1.00 0.00 H new ATOM 0 HH12 ARG B 65 2.968 8.741 9.506 1.00 0.00 H new ATOM 0 HH21 ARG B 65 0.391 9.959 7.429 1.00 0.00 H new ATOM 0 HH22 ARG B 65 0.834 9.439 9.059 1.00 0.00 H new ATOM 1591 N GLN B 66 5.857 11.619 3.987 1.00 0.00 N ATOM 1592 CA GLN B 66 7.279 11.670 3.701 1.00 0.00 C ATOM 1593 C GLN B 66 7.747 10.291 3.264 1.00 0.00 C ATOM 1594 O GLN B 66 7.822 9.362 4.067 1.00 0.00 O ATOM 1595 CB GLN B 66 8.048 12.142 4.942 1.00 0.00 C ATOM 1596 CG GLN B 66 9.566 12.073 4.816 1.00 0.00 C ATOM 1597 CD GLN B 66 10.123 12.961 3.719 1.00 0.00 C ATOM 1598 OE1 GLN B 66 10.407 14.138 3.943 1.00 0.00 O ATOM 1599 NE2 GLN B 66 10.322 12.399 2.539 1.00 0.00 N ATOM 0 H GLN B 66 5.622 11.739 4.972 1.00 0.00 H new ATOM 0 HA GLN B 66 7.470 12.380 2.897 1.00 0.00 H new ATOM 0 HB2 GLN B 66 7.762 13.171 5.160 1.00 0.00 H new ATOM 0 HB3 GLN B 66 7.740 11.537 5.795 1.00 0.00 H new ATOM 0 HG2 GLN B 66 10.015 12.359 5.767 1.00 0.00 H new ATOM 0 HG3 GLN B 66 9.860 11.042 4.622 1.00 0.00 H new ATOM 0 HE21 GLN B 66 10.074 11.421 2.392 1.00 0.00 H new ATOM 0 HE22 GLN B 66 10.724 12.944 1.776 1.00 0.00 H new ATOM 1608 N LEU B 67 8.023 10.158 1.978 1.00 0.00 N ATOM 1609 CA LEU B 67 8.401 8.880 1.410 1.00 0.00 C ATOM 1610 C LEU B 67 9.900 8.660 1.504 1.00 0.00 C ATOM 1611 O LEU B 67 10.658 9.602 1.745 1.00 0.00 O ATOM 1612 CB LEU B 67 7.934 8.787 -0.042 1.00 0.00 C ATOM 1613 CG LEU B 67 6.421 8.652 -0.219 1.00 0.00 C ATOM 1614 CD1 LEU B 67 6.028 8.907 -1.662 1.00 0.00 C ATOM 1615 CD2 LEU B 67 5.965 7.270 0.211 1.00 0.00 C ATOM 0 H LEU B 67 7.991 10.925 1.306 1.00 0.00 H new ATOM 0 HA LEU B 67 7.912 8.095 1.986 1.00 0.00 H new ATOM 0 HB2 LEU B 67 8.271 9.676 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU B 67 8.419 7.931 -0.511 1.00 0.00 H new ATOM 0 HG LEU B 67 5.932 9.397 0.409 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.948 8.806 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.328 9.915 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU B 67 6.525 8.183 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU B 67 4.886 7.186 0.080 1.00 0.00 H new ATOM 0 HD22 LEU B 67 6.464 6.516 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU B 67 6.217 7.114 1.260 1.00 0.00 H new ATOM 1627 N ASN B 68 10.317 7.421 1.318 1.00 0.00 N ATOM 1628 CA ASN B 68 11.719 7.058 1.449 1.00 0.00 C ATOM 1629 C ASN B 68 12.577 7.772 0.401 1.00 0.00 C ATOM 1630 O ASN B 68 13.573 8.414 0.741 1.00 0.00 O ATOM 1631 CB ASN B 68 11.888 5.528 1.388 1.00 0.00 C ATOM 1632 CG ASN B 68 11.033 4.852 0.325 1.00 0.00 C ATOM 1633 OD1 ASN B 68 10.753 5.413 -0.729 1.00 0.00 O ATOM 1634 ND2 ASN B 68 10.592 3.637 0.610 1.00 0.00 N ATOM 0 H ASN B 68 9.702 6.644 1.074 1.00 0.00 H new ATOM 0 HA ASN B 68 12.072 7.390 2.425 1.00 0.00 H new ATOM 0 HB2 ASN B 68 12.936 5.296 1.198 1.00 0.00 H new ATOM 0 HB3 ASN B 68 11.639 5.106 2.362 1.00 0.00 H new ATOM 0 HD21 ASN B 68 10.001 3.140 -0.056 1.00 0.00 H new ATOM 0 HD22 ASN B 68 10.843 3.198 1.496 1.00 0.00 H new ATOM 1641 N VAL B 69 12.174 7.690 -0.856 1.00 0.00 N ATOM 1642 CA VAL B 69 12.890 8.339 -1.940 1.00 0.00 C ATOM 1643 C VAL B 69 12.022 8.300 -3.203 1.00 0.00 C ATOM 1644 O VAL B 69 10.884 7.836 -3.143 1.00 0.00 O ATOM 1645 CB VAL B 69 14.267 7.659 -2.167 1.00 0.00 C ATOM 1646 CG1 VAL B 69 14.101 6.308 -2.829 1.00 0.00 C ATOM 1647 CG2 VAL B 69 15.222 8.545 -2.956 1.00 0.00 C ATOM 0 H VAL B 69 11.345 7.174 -1.152 1.00 0.00 H new ATOM 0 HA VAL B 69 13.087 9.380 -1.684 1.00 0.00 H new ATOM 0 HB VAL B 69 14.715 7.505 -1.186 1.00 0.00 H new ATOM 0 HG11 VAL B 69 15.080 5.853 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL B 69 13.493 5.664 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL B 69 13.610 6.434 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL B 69 16.172 8.027 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL B 69 14.790 8.768 -3.931 1.00 0.00 H new ATOM 0 HG23 VAL B 69 15.389 9.475 -2.412 1.00 0.00 H new ATOM 1657 N PHE B 70 12.531 8.792 -4.325 1.00 0.00 N ATOM 1658 CA PHE B 70 11.756 8.841 -5.557 1.00 0.00 C ATOM 1659 C PHE B 70 11.682 7.465 -6.217 1.00 0.00 C ATOM 1660 O PHE B 70 12.305 6.508 -5.758 1.00 0.00 O ATOM 1661 CB PHE B 70 12.365 9.860 -6.521 1.00 0.00 C ATOM 1662 CG PHE B 70 12.368 11.262 -5.979 1.00 0.00 C ATOM 1663 CD1 PHE B 70 11.260 12.080 -6.136 1.00 0.00 C ATOM 1664 CD2 PHE B 70 13.474 11.760 -5.310 1.00 0.00 C ATOM 1665 CE1 PHE B 70 11.256 13.367 -5.635 1.00 0.00 C ATOM 1666 CE2 PHE B 70 13.475 13.047 -4.806 1.00 0.00 C ATOM 1667 CZ PHE B 70 12.365 13.852 -4.969 1.00 0.00 C ATOM 0 H PHE B 70 13.478 9.163 -4.407 1.00 0.00 H new ATOM 0 HA PHE B 70 10.741 9.149 -5.308 1.00 0.00 H new ATOM 0 HB2 PHE B 70 13.389 9.565 -6.752 1.00 0.00 H new ATOM 0 HB3 PHE B 70 11.809 9.841 -7.458 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.390 11.707 -6.656 1.00 0.00 H new ATOM 0 HD2 PHE B 70 14.346 11.135 -5.181 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.386 13.994 -5.764 1.00 0.00 H new ATOM 0 HE2 PHE B 70 14.343 13.423 -4.285 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.364 14.858 -4.577 1.00 0.00 H new ATOM 1677 N GLU B 71 10.910 7.372 -7.289 1.00 0.00 N ATOM 1678 CA GLU B 71 10.673 6.098 -7.949 1.00 0.00 C ATOM 1679 C GLU B 71 11.825 5.709 -8.871 1.00 0.00 C ATOM 1680 O GLU B 71 12.456 6.560 -9.501 1.00 0.00 O ATOM 1681 CB GLU B 71 9.353 6.140 -8.717 1.00 0.00 C ATOM 1682 CG GLU B 71 9.265 7.265 -9.742 1.00 0.00 C ATOM 1683 CD GLU B 71 7.861 7.461 -10.281 1.00 0.00 C ATOM 1684 OE1 GLU B 71 7.502 6.803 -11.281 1.00 0.00 O1- ATOM 1685 OE2 GLU B 71 7.107 8.278 -9.712 1.00 0.00 O ATOM 0 H GLU B 71 10.436 8.165 -7.721 1.00 0.00 H new ATOM 0 HA GLU B 71 10.609 5.331 -7.177 1.00 0.00 H new ATOM 0 HB2 GLU B 71 9.211 5.187 -9.226 1.00 0.00 H new ATOM 0 HB3 GLU B 71 8.534 6.246 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.607 8.194 -9.285 1.00 0.00 H new ATOM 0 HG3 GLU B 71 9.940 7.049 -10.570 1.00 0.00 H new ATOM 1692 N GLY B 72 12.094 4.409 -8.928 1.00 0.00 N ATOM 1693 CA GLY B 72 13.182 3.887 -9.730 1.00 0.00 C ATOM 1694 C GLY B 72 14.507 4.036 -9.015 1.00 0.00 C ATOM 1695 O GLY B 72 15.576 3.912 -9.616 1.00 0.00 O ATOM 0 H GLY B 72 11.566 3.697 -8.423 1.00 0.00 H new ATOM 0 HA2 GLY B 72 13.002 2.835 -9.952 1.00 0.00 H new ATOM 0 HA3 GLY B 72 13.219 4.413 -10.684 1.00 0.00 H new ATOM 1699 N GLU B 73 14.426 4.284 -7.718 1.00 0.00 N ATOM 1700 CA GLU B 73 15.598 4.501 -6.896 1.00 0.00 C ATOM 1701 C GLU B 73 15.917 3.262 -6.066 1.00 0.00 C ATOM 1702 O GLU B 73 15.022 2.527 -5.647 1.00 0.00 O ATOM 1703 CB GLU B 73 15.370 5.705 -5.985 1.00 0.00 C ATOM 1704 CG GLU B 73 15.356 7.038 -6.715 1.00 0.00 C ATOM 1705 CD GLU B 73 16.656 7.323 -7.436 1.00 0.00 C ATOM 1706 OE1 GLU B 73 17.692 7.491 -6.760 1.00 0.00 O1- ATOM 1707 OE2 GLU B 73 16.649 7.369 -8.682 1.00 0.00 O ATOM 0 H GLU B 73 13.544 4.340 -7.208 1.00 0.00 H new ATOM 0 HA GLU B 73 16.450 4.698 -7.547 1.00 0.00 H new ATOM 0 HB2 GLU B 73 14.422 5.578 -5.463 1.00 0.00 H new ATOM 0 HB3 GLU B 73 16.152 5.726 -5.226 1.00 0.00 H new ATOM 0 HG2 GLU B 73 14.537 7.045 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU B 73 15.159 7.837 -6.000 1.00 0.00 H new ATOM 1714 N ARG B 74 17.200 3.043 -5.842 1.00 0.00 N ATOM 1715 CA ARG B 74 17.678 1.895 -5.086 1.00 0.00 C ATOM 1716 C ARG B 74 17.753 2.221 -3.599 1.00 0.00 C ATOM 1717 O ARG B 74 18.381 3.202 -3.199 1.00 0.00 O ATOM 1718 CB ARG B 74 19.053 1.477 -5.617 1.00 0.00 C ATOM 1719 CG ARG B 74 19.778 0.436 -4.777 1.00 0.00 C ATOM 1720 CD ARG B 74 19.174 -0.948 -4.942 1.00 0.00 C ATOM 1721 NE ARG B 74 19.984 -1.975 -4.288 1.00 0.00 N ATOM 1722 CZ ARG B 74 20.573 -2.989 -4.931 1.00 0.00 C ATOM 1723 NH1 ARG B 74 20.458 -3.107 -6.250 1.00 0.00 N1+ ATOM 1724 NH2 ARG B 74 21.286 -3.880 -4.251 1.00 0.00 N ATOM 0 H ARG B 74 17.943 3.656 -6.179 1.00 0.00 H new ATOM 0 HA ARG B 74 16.978 1.069 -5.210 1.00 0.00 H new ATOM 0 HB2 ARG B 74 18.932 1.086 -6.627 1.00 0.00 H new ATOM 0 HB3 ARG B 74 19.682 2.364 -5.691 1.00 0.00 H new ATOM 0 HG2 ARG B 74 20.830 0.409 -5.061 1.00 0.00 H new ATOM 0 HG3 ARG B 74 19.739 0.726 -3.727 1.00 0.00 H new ATOM 0 HD2 ARG B 74 18.168 -0.958 -4.524 1.00 0.00 H new ATOM 0 HD3 ARG B 74 19.080 -1.180 -6.003 1.00 0.00 H new ATOM 0 HE ARG B 74 20.108 -1.914 -3.277 1.00 0.00 H new ATOM 0 HH11 ARG B 74 19.918 -2.422 -6.778 1.00 0.00 H new ATOM 0 HH12 ARG B 74 20.910 -3.883 -6.734 1.00 0.00 H new ATOM 0 HH21 ARG B 74 21.384 -3.790 -3.240 1.00 0.00 H new ATOM 0 HH22 ARG B 74 21.736 -4.654 -4.740 1.00 0.00 H new ATOM 1738 N VAL B 75 17.094 1.402 -2.794 1.00 0.00 N ATOM 1739 CA VAL B 75 17.085 1.572 -1.345 1.00 0.00 C ATOM 1740 C VAL B 75 17.313 0.237 -0.647 1.00 0.00 C ATOM 1741 O VAL B 75 17.357 -0.811 -1.296 1.00 0.00 O ATOM 1742 CB VAL B 75 15.748 2.163 -0.847 1.00 0.00 C ATOM 1743 CG1 VAL B 75 15.564 3.585 -1.350 1.00 0.00 C ATOM 1744 CG2 VAL B 75 14.581 1.288 -1.277 1.00 0.00 C ATOM 0 H VAL B 75 16.552 0.603 -3.123 1.00 0.00 H new ATOM 0 HA VAL B 75 17.891 2.265 -1.104 1.00 0.00 H new ATOM 0 HB VAL B 75 15.774 2.189 0.242 1.00 0.00 H new ATOM 0 HG11 VAL B 75 14.615 3.980 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL B 75 16.380 4.208 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL B 75 15.564 3.588 -2.440 1.00 0.00 H new ATOM 0 HG21 VAL B 75 13.649 1.722 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL B 75 14.555 1.225 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL B 75 14.702 0.289 -0.859 1.00 0.00 H new ATOM 1754 N GLU B 76 17.445 0.279 0.671 1.00 0.00 N ATOM 1755 CA GLU B 76 17.650 -0.923 1.466 1.00 0.00 C ATOM 1756 C GLU B 76 16.620 -0.966 2.592 1.00 0.00 C ATOM 1757 O GLU B 76 15.984 0.047 2.890 1.00 0.00 O ATOM 1758 CB GLU B 76 19.075 -0.937 2.027 1.00 0.00 C ATOM 1759 CG GLU B 76 19.531 -2.307 2.502 1.00 0.00 C ATOM 1760 CD GLU B 76 20.934 -2.291 3.067 1.00 0.00 C ATOM 1761 OE1 GLU B 76 21.137 -1.725 4.161 1.00 0.00 O ATOM 1762 OE2 GLU B 76 21.847 -2.849 2.423 1.00 0.00 O1- ATOM 0 H GLU B 76 17.413 1.141 1.216 1.00 0.00 H new ATOM 0 HA GLU B 76 17.521 -1.807 0.841 1.00 0.00 H new ATOM 0 HB2 GLU B 76 19.762 -0.581 1.259 1.00 0.00 H new ATOM 0 HB3 GLU B 76 19.136 -0.235 2.859 1.00 0.00 H new ATOM 0 HG2 GLU B 76 18.841 -2.671 3.263 1.00 0.00 H new ATOM 0 HG3 GLU B 76 19.487 -3.009 1.669 1.00 0.00 H new ATOM 1769 N ARG B 77 16.441 -2.134 3.203 1.00 0.00 N ATOM 1770 CA ARG B 77 15.445 -2.301 4.254 1.00 0.00 C ATOM 1771 C ARG B 77 15.805 -1.471 5.478 1.00 0.00 C ATOM 1772 O ARG B 77 16.816 -1.717 6.133 1.00 0.00 O ATOM 1773 CB ARG B 77 15.311 -3.773 4.652 1.00 0.00 C ATOM 1774 CG ARG B 77 14.175 -4.026 5.625 1.00 0.00 C ATOM 1775 CD ARG B 77 14.073 -5.492 6.012 1.00 0.00 C ATOM 1776 NE ARG B 77 12.788 -5.787 6.644 1.00 0.00 N ATOM 1777 CZ ARG B 77 12.551 -6.841 7.420 1.00 0.00 C ATOM 1778 NH1 ARG B 77 13.517 -7.713 7.687 1.00 0.00 N1+ ATOM 1779 NH2 ARG B 77 11.338 -7.021 7.922 1.00 0.00 N ATOM 0 H ARG B 77 16.973 -2.977 2.988 1.00 0.00 H new ATOM 0 HA ARG B 77 14.490 -1.955 3.860 1.00 0.00 H new ATOM 0 HB2 ARG B 77 15.154 -4.373 3.755 1.00 0.00 H new ATOM 0 HB3 ARG B 77 16.246 -4.109 5.100 1.00 0.00 H new ATOM 0 HG2 ARG B 77 14.324 -3.424 6.521 1.00 0.00 H new ATOM 0 HG3 ARG B 77 13.235 -3.703 5.177 1.00 0.00 H new ATOM 0 HD2 ARG B 77 14.196 -6.114 5.125 1.00 0.00 H new ATOM 0 HD3 ARG B 77 14.883 -5.747 6.695 1.00 0.00 H new ATOM 0 HE ARG B 77 12.018 -5.138 6.478 1.00 0.00 H new ATOM 0 HH11 ARG B 77 14.449 -7.577 7.296 1.00 0.00 H new ATOM 0 HH12 ARG B 77 13.327 -8.518 8.283 1.00 0.00 H new ATOM 0 HH21 ARG B 77 10.595 -6.354 7.712 1.00 0.00 H new ATOM 0 HH22 ARG B 77 11.147 -7.826 8.518 1.00 0.00 H new ATOM 1793 N GLY B 78 14.983 -0.476 5.770 1.00 0.00 N ATOM 1794 CA GLY B 78 15.211 0.362 6.929 1.00 0.00 C ATOM 1795 C GLY B 78 16.133 1.525 6.630 1.00 0.00 C ATOM 1796 O GLY B 78 15.883 2.654 7.052 1.00 0.00 O ATOM 0 H GLY B 78 14.158 -0.232 5.222 1.00 0.00 H new ATOM 0 HA2 GLY B 78 14.256 0.743 7.291 1.00 0.00 H new ATOM 0 HA3 GLY B 78 15.639 -0.240 7.730 1.00 0.00 H new ATOM 1800 N ASP B 79 17.191 1.249 5.887 1.00 0.00 N ATOM 1801 CA ASP B 79 18.195 2.256 5.573 1.00 0.00 C ATOM 1802 C ASP B 79 17.787 3.095 4.373 1.00 0.00 C ATOM 1803 O ASP B 79 17.749 2.605 3.242 1.00 0.00 O ATOM 1804 CB ASP B 79 19.551 1.602 5.295 1.00 0.00 C ATOM 1805 CG ASP B 79 20.345 1.325 6.557 1.00 0.00 C ATOM 1806 OD1 ASP B 79 19.975 0.406 7.312 1.00 0.00 O ATOM 1807 OD2 ASP B 79 21.361 2.015 6.789 1.00 0.00 O1- ATOM 0 H ASP B 79 17.379 0.330 5.487 1.00 0.00 H new ATOM 0 HA ASP B 79 18.278 2.908 6.442 1.00 0.00 H new ATOM 0 HB2 ASP B 79 19.394 0.666 4.759 1.00 0.00 H new ATOM 0 HB3 ASP B 79 20.134 2.250 4.641 1.00 0.00 H new ATOM 1812 N VAL B 80 17.493 4.361 4.631 1.00 0.00 N ATOM 1813 CA VAL B 80 17.238 5.336 3.582 1.00 0.00 C ATOM 1814 C VAL B 80 17.060 6.739 4.176 1.00 0.00 C ATOM 1815 O VAL B 80 17.847 7.638 3.889 1.00 0.00 O ATOM 1816 CB VAL B 80 16.030 4.952 2.683 1.00 0.00 C ATOM 1817 CG1 VAL B 80 14.778 4.666 3.496 1.00 0.00 C ATOM 1818 CG2 VAL B 80 15.772 6.039 1.653 1.00 0.00 C ATOM 0 H VAL B 80 17.425 4.741 5.575 1.00 0.00 H new ATOM 0 HA VAL B 80 18.115 5.339 2.935 1.00 0.00 H new ATOM 0 HB VAL B 80 16.288 4.029 2.164 1.00 0.00 H new ATOM 0 HG11 VAL B 80 13.961 4.402 2.825 1.00 0.00 H new ATOM 0 HG12 VAL B 80 14.969 3.838 4.179 1.00 0.00 H new ATOM 0 HG13 VAL B 80 14.505 5.553 4.068 1.00 0.00 H new ATOM 0 HG21 VAL B 80 14.923 5.756 1.030 1.00 0.00 H new ATOM 0 HG22 VAL B 80 15.552 6.978 2.162 1.00 0.00 H new ATOM 0 HG23 VAL B 80 16.655 6.164 1.027 1.00 0.00 H new ATOM 1828 N ILE B 81 16.047 6.921 5.016 1.00 0.00 N ATOM 1829 CA ILE B 81 15.823 8.207 5.667 1.00 0.00 C ATOM 1830 C ILE B 81 15.869 8.052 7.183 1.00 0.00 C ATOM 1831 O ILE B 81 16.569 8.793 7.873 1.00 0.00 O ATOM 1832 CB ILE B 81 14.471 8.839 5.258 1.00 0.00 C ATOM 1833 CG1 ILE B 81 14.459 9.186 3.766 1.00 0.00 C ATOM 1834 CG2 ILE B 81 14.174 10.081 6.091 1.00 0.00 C ATOM 1835 CD1 ILE B 81 15.526 10.182 3.358 1.00 0.00 C ATOM 0 H ILE B 81 15.371 6.198 5.262 1.00 0.00 H new ATOM 0 HA ILE B 81 16.622 8.872 5.339 1.00 0.00 H new ATOM 0 HB ILE B 81 13.690 8.103 5.448 1.00 0.00 H new ATOM 0 HG12 ILE B 81 14.591 8.271 3.189 1.00 0.00 H new ATOM 0 HG13 ILE B 81 13.481 9.589 3.505 1.00 0.00 H new ATOM 0 HG21 ILE B 81 13.218 10.506 5.783 1.00 0.00 H new ATOM 0 HG22 ILE B 81 14.128 9.809 7.146 1.00 0.00 H new ATOM 0 HG23 ILE B 81 14.963 10.817 5.940 1.00 0.00 H new ATOM 0 HD11 ILE B 81 15.452 10.376 2.288 1.00 0.00 H new ATOM 0 HD12 ILE B 81 15.383 11.113 3.906 1.00 0.00 H new ATOM 0 HD13 ILE B 81 16.511 9.774 3.586 1.00 0.00 H new ATOM 1847 N SER B 82 15.125 7.080 7.695 1.00 0.00 N ATOM 1848 CA SER B 82 15.074 6.840 9.125 1.00 0.00 C ATOM 1849 C SER B 82 14.498 5.469 9.415 1.00 0.00 C ATOM 1850 O SER B 82 13.453 5.096 8.878 1.00 0.00 O ATOM 1851 CB SER B 82 14.235 7.917 9.814 1.00 0.00 C ATOM 1852 OG SER B 82 14.303 7.797 11.226 1.00 0.00 O ATOM 0 H SER B 82 14.550 6.447 7.139 1.00 0.00 H new ATOM 0 HA SER B 82 16.091 6.880 9.516 1.00 0.00 H new ATOM 0 HB2 SER B 82 14.587 8.904 9.513 1.00 0.00 H new ATOM 0 HB3 SER B 82 13.198 7.836 9.489 1.00 0.00 H new ATOM 0 HG SER B 82 13.759 8.499 11.641 1.00 0.00 H new ATOM 1858 N ASP B 83 15.188 4.726 10.259 1.00 0.00 N ATOM 1859 CA ASP B 83 14.709 3.431 10.693 1.00 0.00 C ATOM 1860 C ASP B 83 13.842 3.593 11.933 1.00 0.00 C ATOM 1861 O ASP B 83 14.079 4.474 12.760 1.00 0.00 O ATOM 1862 CB ASP B 83 15.880 2.481 10.978 1.00 0.00 C ATOM 1863 CG ASP B 83 16.706 2.904 12.177 1.00 0.00 C ATOM 1864 OD1 ASP B 83 17.406 3.936 12.092 1.00 0.00 O1- ATOM 1865 OD2 ASP B 83 16.657 2.205 13.212 1.00 0.00 O ATOM 0 H ASP B 83 16.086 5.000 10.658 1.00 0.00 H new ATOM 0 HA ASP B 83 14.111 2.995 9.893 1.00 0.00 H new ATOM 0 HB2 ASP B 83 15.493 1.476 11.146 1.00 0.00 H new ATOM 0 HB3 ASP B 83 16.523 2.432 10.099 1.00 0.00 H new ATOM 1870 N GLY B 84 12.822 2.769 12.037 1.00 0.00 N ATOM 1871 CA GLY B 84 11.923 2.827 13.166 1.00 0.00 C ATOM 1872 C GLY B 84 10.567 2.287 12.791 1.00 0.00 C ATOM 1873 O GLY B 84 9.553 2.723 13.369 1.00 0.00 O ATOM 1874 OXT GLY B 84 10.514 1.441 11.879 1.00 0.00 O ATOM 0 H GLY B 84 12.595 2.049 11.351 1.00 0.00 H new ATOM 0 HA2 GLY B 84 12.334 2.251 13.995 1.00 0.00 H new ATOM 0 HA3 GLY B 84 11.828 3.857 13.510 1.00 0.00 H new