USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 490 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.79 K(o=0.79,f=-4.2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 30:sc= -0.0224 USER MOD Single : A 38 SER OG : rot -2:sc= 1.07 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 169:sc= -1.1 (180deg=-1.31) USER MOD Single : A 53 HIS : no HE2:sc= -7.17! C(o=-7.2!,f=-12!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 140:sc= -1.21 USER MOD Single : A 70 ASN : amide:sc= -1.1! C(o=-1.1!,f=-0.92!) USER MOD ----------------------------------------------------------------- ATOM 94 N LYS A 10 0.066 12.779 8.457 1.00 0.00 N ATOM 95 CA LYS A 10 0.640 12.731 7.118 1.00 0.00 C ATOM 96 C LYS A 10 1.642 11.588 6.996 1.00 0.00 C ATOM 97 O LYS A 10 1.367 10.572 6.357 1.00 0.00 O ATOM 98 CB LYS A 10 1.323 14.060 6.786 1.00 0.00 C ATOM 99 CG LYS A 10 0.421 15.269 6.963 1.00 0.00 C ATOM 100 CD LYS A 10 -0.750 15.237 5.994 1.00 0.00 C ATOM 101 CE LYS A 10 -1.883 16.139 6.460 1.00 0.00 C ATOM 102 NZ LYS A 10 -1.496 17.577 6.430 1.00 0.00 N ATOM 0 HA LYS A 10 -0.169 12.558 6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.201 14.176 7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.677 14.029 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.047 15.299 7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.998 16.181 6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.415 15.553 5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.114 14.214 5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.755 15.984 5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.174 15.862 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.295 18.158 6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.680 17.730 7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.243 17.848 5.458 1.00 0.00 H new ATOM 116 N LYS A 11 2.806 11.759 7.614 1.00 0.00 N ATOM 117 CA LYS A 11 3.849 10.741 7.578 1.00 0.00 C ATOM 118 C LYS A 11 3.348 9.428 8.171 1.00 0.00 C ATOM 119 O LYS A 11 2.436 9.400 8.996 1.00 0.00 O ATOM 120 CB LYS A 11 5.085 11.220 8.344 1.00 0.00 C ATOM 121 CG LYS A 11 5.856 12.317 7.629 1.00 0.00 C ATOM 122 CD LYS A 11 6.553 13.240 8.614 1.00 0.00 C ATOM 123 CE LYS A 11 7.248 14.391 7.903 1.00 0.00 C ATOM 124 NZ LYS A 11 6.290 15.465 7.520 1.00 0.00 N ATOM 0 H LYS A 11 3.051 12.594 8.146 1.00 0.00 H new ATOM 0 HA LYS A 11 4.119 10.570 6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.776 11.584 9.324 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.749 10.372 8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.594 11.870 6.963 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.174 12.896 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.825 13.635 9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.284 12.673 9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.019 14.806 8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.750 14.017 7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.802 16.231 7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.569 15.075 6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.829 15.840 8.374 1.00 0.00 H new ATOM 138 N PRO A 12 3.959 8.313 7.742 1.00 0.00 N ATOM 139 CA PRO A 12 3.592 6.976 8.219 1.00 0.00 C ATOM 140 C PRO A 12 3.989 6.751 9.674 1.00 0.00 C ATOM 141 O PRO A 12 5.168 6.649 10.012 1.00 0.00 O ATOM 142 CB PRO A 12 4.382 6.042 7.298 1.00 0.00 C ATOM 143 CG PRO A 12 5.546 6.854 6.844 1.00 0.00 C ATOM 144 CD PRO A 12 5.054 8.272 6.759 1.00 0.00 C ATOM 0 HA PRO A 12 2.514 6.814 8.190 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.707 5.146 7.827 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.776 5.712 6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.377 6.771 7.545 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.909 6.508 5.876 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.841 8.986 7.004 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.703 8.516 5.756 1.00 0.00 H new ATOM 152 N PRO A 13 2.982 6.671 10.557 1.00 0.00 N ATOM 153 CA PRO A 13 3.202 6.456 11.990 1.00 0.00 C ATOM 154 C PRO A 13 3.710 5.051 12.294 1.00 0.00 C ATOM 155 O PRO A 13 3.785 4.202 11.407 1.00 0.00 O ATOM 156 CB PRO A 13 1.812 6.665 12.597 1.00 0.00 C ATOM 157 CG PRO A 13 0.865 6.355 11.490 1.00 0.00 C ATOM 158 CD PRO A 13 1.552 6.784 10.224 1.00 0.00 C ATOM 0 HA PRO A 13 3.963 7.126 12.391 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.650 6.008 13.452 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.685 7.688 12.952 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.629 5.291 11.465 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.077 6.887 11.622 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.283 6.144 9.384 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.283 7.803 9.946 1.00 0.00 H new ATOM 166 N ASN A 14 4.059 4.813 13.555 1.00 0.00 N ATOM 167 CA ASN A 14 4.560 3.510 13.975 1.00 0.00 C ATOM 168 C ASN A 14 3.583 2.401 13.594 1.00 0.00 C ATOM 169 O ASN A 14 2.565 2.202 14.256 1.00 0.00 O ATOM 170 CB ASN A 14 4.799 3.496 15.486 1.00 0.00 C ATOM 171 CG ASN A 14 3.732 4.257 16.248 1.00 0.00 C ATOM 172 OD1 ASN A 14 3.569 5.465 16.071 1.00 0.00 O ATOM 173 ND2 ASN A 14 2.997 3.552 17.101 1.00 0.00 N ATOM 0 H ASN A 14 4.004 5.505 14.302 1.00 0.00 H new ATOM 0 HA ASN A 14 5.504 3.330 13.462 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.826 2.464 15.837 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.775 3.931 15.701 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.263 4.010 17.641 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.167 2.553 17.216 1.00 0.00 H new ATOM 180 N ARG A 15 3.901 1.683 12.522 1.00 0.00 N ATOM 181 CA ARG A 15 3.052 0.596 12.051 1.00 0.00 C ATOM 182 C ARG A 15 3.892 -0.606 11.628 1.00 0.00 C ATOM 183 O ARG A 15 4.526 -0.611 10.573 1.00 0.00 O ATOM 184 CB ARG A 15 2.188 1.065 10.879 1.00 0.00 C ATOM 185 CG ARG A 15 0.885 1.721 11.308 1.00 0.00 C ATOM 186 CD ARG A 15 -0.208 1.519 10.270 1.00 0.00 C ATOM 187 NE ARG A 15 -0.711 0.148 10.264 1.00 0.00 N ATOM 188 CZ ARG A 15 -1.612 -0.307 11.128 1.00 0.00 C ATOM 189 NH1 ARG A 15 -2.106 0.495 12.060 1.00 0.00 N ATOM 190 NH2 ARG A 15 -2.020 -1.568 11.059 1.00 0.00 N ATOM 0 H ARG A 15 4.741 1.835 11.963 1.00 0.00 H new ATOM 0 HA ARG A 15 2.403 0.294 12.873 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.760 1.771 10.277 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.962 0.211 10.240 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.563 1.304 12.262 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.047 2.787 11.464 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.030 2.206 10.471 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.180 1.767 9.282 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.351 -0.495 9.559 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.795 1.465 12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.798 0.143 12.722 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.642 -2.188 10.343 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.712 -1.917 11.722 1.00 0.00 H new ATOM 204 N PRO A 16 3.898 -1.650 12.470 1.00 0.00 N ATOM 205 CA PRO A 16 4.655 -2.877 12.205 1.00 0.00 C ATOM 206 C PRO A 16 4.067 -3.684 11.053 1.00 0.00 C ATOM 207 O PRO A 16 3.352 -4.662 11.269 1.00 0.00 O ATOM 208 CB PRO A 16 4.539 -3.656 13.518 1.00 0.00 C ATOM 209 CG PRO A 16 3.282 -3.159 14.143 1.00 0.00 C ATOM 210 CD PRO A 16 3.164 -1.714 13.746 1.00 0.00 C ATOM 0 HA PRO A 16 5.682 -2.666 11.908 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.494 -4.730 13.338 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.400 -3.476 14.162 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.421 -3.730 13.796 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.318 -3.264 15.227 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.123 -1.414 13.626 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.602 -1.054 14.495 1.00 0.00 H new ATOM 218 N GLY A 17 4.373 -3.268 9.828 1.00 0.00 N ATOM 219 CA GLY A 17 3.866 -3.964 8.660 1.00 0.00 C ATOM 220 C GLY A 17 3.741 -3.056 7.452 1.00 0.00 C ATOM 221 O GLY A 17 4.502 -3.181 6.492 1.00 0.00 O ATOM 0 H GLY A 17 4.963 -2.461 9.624 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.530 -4.794 8.419 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.891 -4.392 8.891 1.00 0.00 H new ATOM 225 N ILE A 18 2.779 -2.141 7.499 1.00 0.00 N ATOM 226 CA ILE A 18 2.557 -1.209 6.400 1.00 0.00 C ATOM 227 C ILE A 18 3.537 -0.042 6.463 1.00 0.00 C ATOM 228 O ILE A 18 3.868 0.449 7.543 1.00 0.00 O ATOM 229 CB ILE A 18 1.119 -0.658 6.411 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.117 -1.793 6.630 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.823 0.073 5.110 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.318 -1.323 6.724 1.00 0.00 C ATOM 0 H ILE A 18 2.141 -2.025 8.286 1.00 0.00 H new ATOM 0 HA ILE A 18 2.717 -1.766 5.477 1.00 0.00 H new ATOM 0 HB ILE A 18 1.023 0.050 7.234 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.204 -2.507 5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.377 -2.325 7.545 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.197 0.457 5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.520 0.902 4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.933 -0.616 4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.972 -2.181 6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.421 -0.632 7.561 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.596 -0.817 5.800 1.00 0.00 H new ATOM 244 N THR A 19 3.998 0.400 5.297 1.00 0.00 N ATOM 245 CA THR A 19 4.939 1.510 5.218 1.00 0.00 C ATOM 246 C THR A 19 4.678 2.365 3.984 1.00 0.00 C ATOM 247 O THR A 19 4.994 1.967 2.862 1.00 0.00 O ATOM 248 CB THR A 19 6.395 1.010 5.185 1.00 0.00 C ATOM 249 OG1 THR A 19 6.708 0.330 6.405 1.00 0.00 O ATOM 250 CG2 THR A 19 7.361 2.169 4.982 1.00 0.00 C ATOM 0 H THR A 19 3.735 0.006 4.394 1.00 0.00 H new ATOM 0 HA THR A 19 4.791 2.115 6.113 1.00 0.00 H new ATOM 0 HB THR A 19 6.499 0.319 4.348 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.635 0.014 6.375 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.383 1.791 4.962 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.139 2.666 4.038 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.253 2.880 5.801 1.00 0.00 H new ATOM 258 N PHE A 20 4.101 3.543 4.197 1.00 0.00 N ATOM 259 CA PHE A 20 3.798 4.456 3.100 1.00 0.00 C ATOM 260 C PHE A 20 5.079 4.981 2.460 1.00 0.00 C ATOM 261 O PHE A 20 5.752 5.849 3.016 1.00 0.00 O ATOM 262 CB PHE A 20 2.948 5.625 3.602 1.00 0.00 C ATOM 263 CG PHE A 20 1.853 5.210 4.542 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.114 4.062 4.303 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.561 5.967 5.665 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.105 3.678 5.166 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.554 5.588 6.532 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.175 4.442 6.282 1.00 0.00 C ATOM 0 H PHE A 20 3.834 3.888 5.119 1.00 0.00 H new ATOM 0 HA PHE A 20 3.236 3.905 2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.595 6.344 4.105 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.507 6.137 2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.329 3.460 3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.127 6.864 5.865 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.464 2.782 4.968 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.337 6.187 7.404 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.963 4.144 6.958 1.00 0.00 H new ATOM 278 N GLU A 21 5.410 4.448 1.288 1.00 0.00 N ATOM 279 CA GLU A 21 6.612 4.863 0.573 1.00 0.00 C ATOM 280 C GLU A 21 6.393 4.806 -0.936 1.00 0.00 C ATOM 281 O GLU A 21 5.326 4.408 -1.405 1.00 0.00 O ATOM 282 CB GLU A 21 7.795 3.975 0.962 1.00 0.00 C ATOM 283 CG GLU A 21 8.582 4.496 2.153 1.00 0.00 C ATOM 284 CD GLU A 21 10.029 4.045 2.139 1.00 0.00 C ATOM 285 OE1 GLU A 21 10.721 4.300 1.131 1.00 0.00 O ATOM 286 OE2 GLU A 21 10.471 3.437 3.137 1.00 0.00 O ATOM 0 H GLU A 21 4.864 3.729 0.814 1.00 0.00 H new ATOM 0 HA GLU A 21 6.833 5.893 0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.428 2.974 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.465 3.882 0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.545 5.585 2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.108 4.155 3.074 1.00 0.00 H new ATOM 293 N ILE A 22 7.411 5.207 -1.691 1.00 0.00 N ATOM 294 CA ILE A 22 7.331 5.201 -3.146 1.00 0.00 C ATOM 295 C ILE A 22 7.712 3.838 -3.712 1.00 0.00 C ATOM 296 O ILE A 22 8.869 3.427 -3.643 1.00 0.00 O ATOM 297 CB ILE A 22 8.245 6.275 -3.764 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.779 7.673 -3.352 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.267 6.144 -5.280 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.308 7.919 -3.606 1.00 0.00 C ATOM 0 H ILE A 22 8.300 5.540 -1.319 1.00 0.00 H new ATOM 0 HA ILE A 22 6.296 5.423 -3.406 1.00 0.00 H new ATOM 0 HB ILE A 22 9.258 6.126 -3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.986 7.818 -2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.362 8.416 -3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.917 6.910 -5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.642 5.158 -5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.257 6.270 -5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.048 8.929 -3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.099 7.806 -4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.716 7.199 -3.041 1.00 0.00 H new ATOM 312 N GLY A 23 6.729 3.141 -4.275 1.00 0.00 N ATOM 313 CA GLY A 23 6.981 1.831 -4.847 1.00 0.00 C ATOM 314 C GLY A 23 6.663 0.706 -3.882 1.00 0.00 C ATOM 315 O GLY A 23 6.739 -0.468 -4.242 1.00 0.00 O ATOM 0 H GLY A 23 5.763 3.460 -4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.382 1.711 -5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.027 1.764 -5.147 1.00 0.00 H new ATOM 319 N ALA A 24 6.308 1.065 -2.653 1.00 0.00 N ATOM 320 CA ALA A 24 5.977 0.077 -1.634 1.00 0.00 C ATOM 321 C ALA A 24 4.780 -0.767 -2.056 1.00 0.00 C ATOM 322 O ALA A 24 3.781 -0.242 -2.548 1.00 0.00 O ATOM 323 CB ALA A 24 5.700 0.762 -0.304 1.00 0.00 C ATOM 0 H ALA A 24 6.242 2.033 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 24 6.833 -0.587 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.454 0.012 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.585 1.315 0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.863 1.450 -0.417 1.00 0.00 H new ATOM 329 N ARG A 25 4.887 -2.077 -1.862 1.00 0.00 N ATOM 330 CA ARG A 25 3.813 -2.994 -2.224 1.00 0.00 C ATOM 331 C ARG A 25 2.966 -3.349 -1.005 1.00 0.00 C ATOM 332 O ARG A 25 3.478 -3.860 -0.008 1.00 0.00 O ATOM 333 CB ARG A 25 4.389 -4.268 -2.846 1.00 0.00 C ATOM 334 CG ARG A 25 5.472 -4.005 -3.880 1.00 0.00 C ATOM 335 CD ARG A 25 6.068 -5.301 -4.405 1.00 0.00 C ATOM 336 NE ARG A 25 5.048 -6.188 -4.959 1.00 0.00 N ATOM 337 CZ ARG A 25 5.227 -7.492 -5.138 1.00 0.00 C ATOM 338 NH1 ARG A 25 6.379 -8.058 -4.808 1.00 0.00 N ATOM 339 NH2 ARG A 25 4.251 -8.232 -5.648 1.00 0.00 N ATOM 0 H ARG A 25 5.707 -2.528 -1.456 1.00 0.00 H new ATOM 0 HA ARG A 25 3.176 -2.496 -2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.799 -4.895 -2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.581 -4.831 -3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.054 -3.434 -4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.259 -3.395 -3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.808 -5.075 -5.173 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.593 -5.812 -3.598 1.00 0.00 H new ATOM 0 HE ARG A 25 4.149 -5.784 -5.223 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.131 -7.492 -4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.513 -9.060 -4.947 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.363 -7.800 -5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.389 -9.233 -5.785 1.00 0.00 H new ATOM 353 N LEU A 26 1.670 -3.074 -1.092 1.00 0.00 N ATOM 354 CA LEU A 26 0.751 -3.364 0.004 1.00 0.00 C ATOM 355 C LEU A 26 -0.626 -3.749 -0.527 1.00 0.00 C ATOM 356 O LEU A 26 -0.856 -3.752 -1.736 1.00 0.00 O ATOM 357 CB LEU A 26 0.633 -2.152 0.929 1.00 0.00 C ATOM 358 CG LEU A 26 0.365 -0.810 0.247 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.601 -0.335 -0.500 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.822 -0.920 -0.699 1.00 0.00 C ATOM 0 H LEU A 26 1.231 -2.651 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 26 1.151 -4.207 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.170 -2.341 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.556 -2.067 1.503 1.00 0.00 H new ATOM 0 HG LEU A 26 0.125 -0.075 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.391 0.621 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.427 -0.216 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.872 -1.069 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.998 0.044 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.611 -1.669 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.709 -1.215 -0.138 1.00 0.00 H new ATOM 372 N GLU A 27 -1.537 -4.072 0.385 1.00 0.00 N ATOM 373 CA GLU A 27 -2.892 -4.457 0.007 1.00 0.00 C ATOM 374 C GLU A 27 -3.862 -3.295 0.199 1.00 0.00 C ATOM 375 O GLU A 27 -3.670 -2.451 1.074 1.00 0.00 O ATOM 376 CB GLU A 27 -3.352 -5.661 0.832 1.00 0.00 C ATOM 377 CG GLU A 27 -2.693 -6.967 0.422 1.00 0.00 C ATOM 378 CD GLU A 27 -3.459 -8.184 0.903 1.00 0.00 C ATOM 379 OE1 GLU A 27 -4.554 -8.448 0.362 1.00 0.00 O ATOM 380 OE2 GLU A 27 -2.964 -8.872 1.820 1.00 0.00 O ATOM 0 H GLU A 27 -1.362 -4.075 1.390 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.884 -4.730 -1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.141 -5.472 1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.433 -5.764 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.609 -7.002 -0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.679 -6.999 0.822 1.00 0.00 H new ATOM 387 N ALA A 28 -4.904 -3.259 -0.625 1.00 0.00 N ATOM 388 CA ALA A 28 -5.904 -2.202 -0.546 1.00 0.00 C ATOM 389 C ALA A 28 -7.312 -2.784 -0.475 1.00 0.00 C ATOM 390 O ALA A 28 -7.580 -3.857 -1.017 1.00 0.00 O ATOM 391 CB ALA A 28 -5.778 -1.265 -1.737 1.00 0.00 C ATOM 0 H ALA A 28 -5.077 -3.950 -1.355 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.726 -1.635 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.531 -0.481 -1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.785 -0.815 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.927 -1.827 -2.659 1.00 0.00 H new ATOM 397 N LEU A 29 -8.209 -2.070 0.197 1.00 0.00 N ATOM 398 CA LEU A 29 -9.591 -2.516 0.339 1.00 0.00 C ATOM 399 C LEU A 29 -10.490 -1.839 -0.691 1.00 0.00 C ATOM 400 O LEU A 29 -10.743 -0.636 -0.614 1.00 0.00 O ATOM 401 CB LEU A 29 -10.100 -2.219 1.751 1.00 0.00 C ATOM 402 CG LEU A 29 -11.405 -2.908 2.152 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.134 -4.320 2.646 1.00 0.00 C ATOM 404 CD2 LEU A 29 -12.130 -2.098 3.217 1.00 0.00 C ATOM 0 H LEU A 29 -8.004 -1.180 0.652 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.620 -3.592 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.326 -2.507 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.236 -1.142 1.848 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.046 -2.970 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.075 -4.794 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.659 -4.898 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.474 -4.282 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.056 -2.603 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.495 -2.004 4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.359 -1.106 2.827 1.00 0.00 H new ATOM 416 N ASP A 30 -10.972 -2.619 -1.652 1.00 0.00 N ATOM 417 CA ASP A 30 -11.846 -2.097 -2.695 1.00 0.00 C ATOM 418 C ASP A 30 -13.226 -1.770 -2.134 1.00 0.00 C ATOM 419 O ASP A 30 -13.599 -2.243 -1.060 1.00 0.00 O ATOM 420 CB ASP A 30 -11.972 -3.106 -3.838 1.00 0.00 C ATOM 421 CG ASP A 30 -12.373 -2.452 -5.146 1.00 0.00 C ATOM 422 OD1 ASP A 30 -11.498 -1.846 -5.799 1.00 0.00 O ATOM 423 OD2 ASP A 30 -13.561 -2.548 -5.516 1.00 0.00 O ATOM 0 H ASP A 30 -10.772 -3.616 -1.730 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.403 -1.178 -3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.021 -3.622 -3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.711 -3.862 -3.572 1.00 0.00 H new ATOM 428 N TYR A 31 -13.980 -0.957 -2.867 1.00 0.00 N ATOM 429 CA TYR A 31 -15.318 -0.564 -2.441 1.00 0.00 C ATOM 430 C TYR A 31 -16.154 -1.786 -2.076 1.00 0.00 C ATOM 431 O TYR A 31 -17.042 -1.714 -1.225 1.00 0.00 O ATOM 432 CB TYR A 31 -16.014 0.233 -3.546 1.00 0.00 C ATOM 433 CG TYR A 31 -15.891 -0.396 -4.915 1.00 0.00 C ATOM 434 CD1 TYR A 31 -14.770 -0.175 -5.705 1.00 0.00 C ATOM 435 CD2 TYR A 31 -16.897 -1.211 -5.419 1.00 0.00 C ATOM 436 CE1 TYR A 31 -14.654 -0.747 -6.957 1.00 0.00 C ATOM 437 CE2 TYR A 31 -16.789 -1.789 -6.670 1.00 0.00 C ATOM 438 CZ TYR A 31 -15.666 -1.553 -7.435 1.00 0.00 C ATOM 439 OH TYR A 31 -15.555 -2.125 -8.681 1.00 0.00 O ATOM 0 H TYR A 31 -13.687 -0.558 -3.759 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.220 0.064 -1.556 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -17.070 0.338 -3.297 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.593 1.238 -3.578 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.975 0.455 -5.334 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -17.779 -1.396 -4.823 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.776 -0.564 -7.558 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.579 -2.422 -7.046 1.00 0.00 H new ATOM 0 HH TYR A 31 -16.352 -2.664 -8.866 1.00 0.00 H new ATOM 449 N LEU A 32 -15.864 -2.909 -2.724 1.00 0.00 N ATOM 450 CA LEU A 32 -16.588 -4.149 -2.469 1.00 0.00 C ATOM 451 C LEU A 32 -16.015 -4.874 -1.256 1.00 0.00 C ATOM 452 O LEU A 32 -16.218 -6.076 -1.086 1.00 0.00 O ATOM 453 CB LEU A 32 -16.529 -5.059 -3.696 1.00 0.00 C ATOM 454 CG LEU A 32 -17.291 -4.573 -4.930 1.00 0.00 C ATOM 455 CD1 LEU A 32 -16.887 -5.375 -6.157 1.00 0.00 C ATOM 456 CD2 LEU A 32 -18.793 -4.667 -4.700 1.00 0.00 C ATOM 0 H LEU A 32 -15.132 -2.986 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.628 -3.897 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.483 -5.198 -3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.917 -6.038 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.034 -3.528 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.439 -5.015 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.818 -5.257 -6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.114 -6.429 -5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -19.320 -4.317 -5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -19.066 -5.703 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -19.070 -4.048 -3.847 1.00 0.00 H new ATOM 468 N GLN A 33 -15.300 -4.135 -0.414 1.00 0.00 N ATOM 469 CA GLN A 33 -14.698 -4.708 0.784 1.00 0.00 C ATOM 470 C GLN A 33 -13.816 -5.902 0.433 1.00 0.00 C ATOM 471 O GLN A 33 -13.755 -6.882 1.175 1.00 0.00 O ATOM 472 CB GLN A 33 -15.786 -5.136 1.772 1.00 0.00 C ATOM 473 CG GLN A 33 -16.646 -3.984 2.265 1.00 0.00 C ATOM 474 CD GLN A 33 -17.282 -4.265 3.612 1.00 0.00 C ATOM 475 OE1 GLN A 33 -16.720 -4.987 4.438 1.00 0.00 O ATOM 476 NE2 GLN A 33 -18.459 -3.696 3.843 1.00 0.00 N ATOM 0 H GLN A 33 -15.123 -3.138 -0.539 1.00 0.00 H new ATOM 0 HA GLN A 33 -14.075 -3.943 1.248 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.426 -5.879 1.296 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.317 -5.621 2.628 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -16.035 -3.084 2.337 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.428 -3.781 1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.888 -3.105 3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.934 -3.849 4.733 1.00 0.00 H new ATOM 485 N LYS A 34 -13.133 -5.812 -0.703 1.00 0.00 N ATOM 486 CA LYS A 34 -12.253 -6.884 -1.154 1.00 0.00 C ATOM 487 C LYS A 34 -10.789 -6.497 -0.973 1.00 0.00 C ATOM 488 O LYS A 34 -10.419 -5.335 -1.141 1.00 0.00 O ATOM 489 CB LYS A 34 -12.527 -7.213 -2.623 1.00 0.00 C ATOM 490 CG LYS A 34 -13.966 -7.612 -2.899 1.00 0.00 C ATOM 491 CD LYS A 34 -14.258 -9.020 -2.407 1.00 0.00 C ATOM 492 CE LYS A 34 -13.977 -10.057 -3.484 1.00 0.00 C ATOM 493 NZ LYS A 34 -14.185 -11.445 -2.986 1.00 0.00 N ATOM 0 H LYS A 34 -13.172 -5.007 -1.329 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.455 -7.766 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.276 -6.346 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.868 -8.024 -2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.640 -6.908 -2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.163 -7.551 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.649 -9.233 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.301 -9.089 -2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.628 -9.877 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.951 -9.947 -3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.983 -12.122 -3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.546 -11.626 -2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.171 -11.558 -2.675 1.00 0.00 H new ATOM 507 N TRP A 35 -9.961 -7.478 -0.630 1.00 0.00 N ATOM 508 CA TRP A 35 -8.536 -7.239 -0.428 1.00 0.00 C ATOM 509 C TRP A 35 -7.738 -7.633 -1.665 1.00 0.00 C ATOM 510 O TRP A 35 -8.005 -8.662 -2.286 1.00 0.00 O ATOM 511 CB TRP A 35 -8.035 -8.020 0.788 1.00 0.00 C ATOM 512 CG TRP A 35 -8.657 -7.576 2.077 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.546 -8.275 2.843 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.438 -6.331 2.750 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.892 -7.540 3.951 1.00 0.00 N ATOM 516 CE2 TRP A 35 -9.226 -6.344 3.918 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.652 -5.207 2.481 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -9.249 -5.277 4.812 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.676 -4.149 3.368 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.469 -4.190 4.523 1.00 0.00 C ATOM 0 H TRP A 35 -10.251 -8.445 -0.486 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.393 -6.173 -0.251 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.241 -9.080 0.640 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.953 -7.912 0.859 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.922 -9.261 2.612 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.540 -7.837 4.680 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.036 -5.167 1.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.860 -5.306 5.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.074 -3.275 3.168 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.464 -3.347 5.198 1.00 0.00 H new ATOM 531 N TYR A 36 -6.757 -6.809 -2.018 1.00 0.00 N ATOM 532 CA TYR A 36 -5.921 -7.072 -3.183 1.00 0.00 C ATOM 533 C TYR A 36 -4.600 -6.313 -3.088 1.00 0.00 C ATOM 534 O TYR A 36 -4.494 -5.281 -2.425 1.00 0.00 O ATOM 535 CB TYR A 36 -6.657 -6.677 -4.464 1.00 0.00 C ATOM 536 CG TYR A 36 -7.854 -7.549 -4.767 1.00 0.00 C ATOM 537 CD1 TYR A 36 -7.699 -8.896 -5.073 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.142 -7.027 -4.746 1.00 0.00 C ATOM 539 CE1 TYR A 36 -8.790 -9.696 -5.351 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.239 -7.820 -5.022 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.058 -9.153 -5.324 1.00 0.00 C ATOM 542 OH TYR A 36 -11.148 -9.947 -5.599 1.00 0.00 O ATOM 0 H TYR A 36 -6.522 -5.954 -1.514 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.705 -8.140 -3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.985 -5.641 -4.380 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -5.962 -6.725 -5.302 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.708 -9.325 -5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.288 -5.983 -4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.651 -10.740 -5.588 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.233 -7.398 -5.001 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.958 -10.869 -5.327 1.00 0.00 H new ATOM 552 N PRO A 37 -3.569 -6.835 -3.767 1.00 0.00 N ATOM 553 CA PRO A 37 -2.236 -6.224 -3.777 1.00 0.00 C ATOM 554 C PRO A 37 -2.207 -4.910 -4.550 1.00 0.00 C ATOM 555 O PRO A 37 -3.008 -4.696 -5.461 1.00 0.00 O ATOM 556 CB PRO A 37 -1.369 -7.274 -4.475 1.00 0.00 C ATOM 557 CG PRO A 37 -2.318 -8.045 -5.326 1.00 0.00 C ATOM 558 CD PRO A 37 -3.623 -8.063 -4.578 1.00 0.00 C ATOM 0 HA PRO A 37 -1.896 -5.971 -2.773 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.589 -6.807 -5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.871 -7.920 -3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.435 -7.577 -6.303 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.953 -9.057 -5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.475 -8.059 -5.257 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.717 -8.952 -3.955 1.00 0.00 H new ATOM 566 N SER A 38 -1.279 -4.032 -4.182 1.00 0.00 N ATOM 567 CA SER A 38 -1.148 -2.737 -4.840 1.00 0.00 C ATOM 568 C SER A 38 0.215 -2.116 -4.550 1.00 0.00 C ATOM 569 O SER A 38 0.996 -2.647 -3.760 1.00 0.00 O ATOM 570 CB SER A 38 -2.260 -1.793 -4.379 1.00 0.00 C ATOM 571 OG SER A 38 -3.520 -2.205 -4.881 1.00 0.00 O ATOM 0 H SER A 38 -0.607 -4.194 -3.432 1.00 0.00 H new ATOM 0 HA SER A 38 -1.235 -2.892 -5.915 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.290 -1.766 -3.290 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.044 -0.779 -4.717 1.00 0.00 H new ATOM 0 HG SER A 38 -3.403 -2.991 -5.454 1.00 0.00 H new ATOM 577 N ARG A 39 0.493 -0.988 -5.194 1.00 0.00 N ATOM 578 CA ARG A 39 1.761 -0.294 -5.007 1.00 0.00 C ATOM 579 C ARG A 39 1.546 1.213 -4.899 1.00 0.00 C ATOM 580 O ARG A 39 0.483 1.725 -5.250 1.00 0.00 O ATOM 581 CB ARG A 39 2.711 -0.602 -6.166 1.00 0.00 C ATOM 582 CG ARG A 39 3.589 -1.820 -5.927 1.00 0.00 C ATOM 583 CD ARG A 39 4.110 -2.396 -7.234 1.00 0.00 C ATOM 584 NE ARG A 39 4.307 -3.841 -7.156 1.00 0.00 N ATOM 585 CZ ARG A 39 4.465 -4.620 -8.220 1.00 0.00 C ATOM 586 NH1 ARG A 39 4.451 -4.095 -9.438 1.00 0.00 N ATOM 587 NH2 ARG A 39 4.639 -5.926 -8.068 1.00 0.00 N ATOM 0 H ARG A 39 -0.143 -0.535 -5.850 1.00 0.00 H new ATOM 0 HA ARG A 39 2.206 -0.648 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.126 -0.759 -7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.347 0.265 -6.343 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.429 -1.545 -5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.020 -2.581 -5.394 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.407 -2.169 -8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.054 -1.915 -7.491 1.00 0.00 H new ATOM 0 HE ARG A 39 4.324 -4.276 -6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.319 -3.091 -9.559 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.573 -4.695 -10.254 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.652 -6.333 -7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.760 -6.523 -8.886 1.00 0.00 H new ATOM 601 N ILE A 40 2.562 1.917 -4.411 1.00 0.00 N ATOM 602 CA ILE A 40 2.483 3.364 -4.257 1.00 0.00 C ATOM 603 C ILE A 40 3.265 4.077 -5.355 1.00 0.00 C ATOM 604 O ILE A 40 4.493 4.012 -5.399 1.00 0.00 O ATOM 605 CB ILE A 40 3.021 3.815 -2.886 1.00 0.00 C ATOM 606 CG1 ILE A 40 2.030 3.446 -1.779 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.288 5.312 -2.887 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.627 3.500 -0.391 1.00 0.00 C ATOM 0 H ILE A 40 3.449 1.509 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 40 1.429 3.632 -4.331 1.00 0.00 H new ATOM 0 HB ILE A 40 3.962 3.299 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.177 4.123 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.650 2.441 -1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.668 5.615 -1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.026 5.549 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.362 5.847 -3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.868 3.227 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.462 2.802 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.982 4.510 -0.187 1.00 0.00 H new ATOM 620 N GLU A 41 2.544 4.758 -6.240 1.00 0.00 N ATOM 621 CA GLU A 41 3.171 5.484 -7.339 1.00 0.00 C ATOM 622 C GLU A 41 3.705 6.832 -6.865 1.00 0.00 C ATOM 623 O GLU A 41 4.815 7.233 -7.218 1.00 0.00 O ATOM 624 CB GLU A 41 2.171 5.692 -8.478 1.00 0.00 C ATOM 625 CG GLU A 41 1.894 4.432 -9.282 1.00 0.00 C ATOM 626 CD GLU A 41 3.060 4.035 -10.166 1.00 0.00 C ATOM 627 OE1 GLU A 41 3.473 4.861 -11.008 1.00 0.00 O ATOM 628 OE2 GLU A 41 3.559 2.901 -10.017 1.00 0.00 O ATOM 0 H GLU A 41 1.526 4.822 -6.218 1.00 0.00 H new ATOM 0 HA GLU A 41 4.008 4.888 -7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.233 6.062 -8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.551 6.464 -9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.665 3.613 -8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.010 4.588 -9.901 1.00 0.00 H new ATOM 635 N LYS A 42 2.908 7.529 -6.062 1.00 0.00 N ATOM 636 CA LYS A 42 3.299 8.833 -5.538 1.00 0.00 C ATOM 637 C LYS A 42 2.710 9.059 -4.149 1.00 0.00 C ATOM 638 O LYS A 42 1.723 8.426 -3.772 1.00 0.00 O ATOM 639 CB LYS A 42 2.841 9.944 -6.485 1.00 0.00 C ATOM 640 CG LYS A 42 3.679 10.051 -7.747 1.00 0.00 C ATOM 641 CD LYS A 42 2.954 10.827 -8.834 1.00 0.00 C ATOM 642 CE LYS A 42 3.873 11.138 -10.005 1.00 0.00 C ATOM 643 NZ LYS A 42 4.272 9.906 -10.739 1.00 0.00 N ATOM 0 H LYS A 42 1.987 7.213 -5.760 1.00 0.00 H new ATOM 0 HA LYS A 42 4.386 8.855 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.802 9.768 -6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.872 10.897 -5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.624 10.543 -7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.920 9.052 -8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.098 10.250 -9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.563 11.757 -8.420 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.371 11.822 -10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.765 11.649 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.898 10.160 -11.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.774 9.264 -10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.423 9.432 -11.108 1.00 0.00 H new ATOM 657 N ILE A 43 3.321 9.965 -3.393 1.00 0.00 N ATOM 658 CA ILE A 43 2.856 10.276 -2.047 1.00 0.00 C ATOM 659 C ILE A 43 2.783 11.783 -1.825 1.00 0.00 C ATOM 660 O ILE A 43 3.803 12.438 -1.609 1.00 0.00 O ATOM 661 CB ILE A 43 3.771 9.654 -0.977 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.805 8.131 -1.125 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.300 10.045 0.416 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.898 7.469 -0.316 1.00 0.00 C ATOM 0 H ILE A 43 4.139 10.497 -3.690 1.00 0.00 H new ATOM 0 HA ILE A 43 1.858 9.849 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 43 4.782 10.037 -1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.841 7.723 -0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.940 7.879 -2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.957 9.597 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.323 11.130 0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.282 9.688 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.862 6.390 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.868 7.849 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.753 7.690 0.741 1.00 0.00 H new ATOM 676 N ASP A 44 1.572 12.325 -1.878 1.00 0.00 N ATOM 677 CA ASP A 44 1.366 13.755 -1.679 1.00 0.00 C ATOM 678 C ASP A 44 1.353 14.101 -0.193 1.00 0.00 C ATOM 679 O ASP A 44 0.486 13.647 0.553 1.00 0.00 O ATOM 680 CB ASP A 44 0.054 14.198 -2.330 1.00 0.00 C ATOM 681 CG ASP A 44 0.096 15.641 -2.794 1.00 0.00 C ATOM 682 OD1 ASP A 44 1.210 16.164 -3.005 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.985 16.246 -2.946 1.00 0.00 O ATOM 0 H ASP A 44 0.718 11.796 -2.057 1.00 0.00 H new ATOM 0 HA ASP A 44 2.194 14.285 -2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.162 13.552 -3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.762 14.072 -1.618 1.00 0.00 H new ATOM 688 N TYR A 45 2.320 14.907 0.229 1.00 0.00 N ATOM 689 CA TYR A 45 2.423 15.311 1.626 1.00 0.00 C ATOM 690 C TYR A 45 1.785 16.680 1.846 1.00 0.00 C ATOM 691 O TYR A 45 1.411 17.029 2.965 1.00 0.00 O ATOM 692 CB TYR A 45 3.888 15.344 2.064 1.00 0.00 C ATOM 693 CG TYR A 45 4.561 13.990 2.026 1.00 0.00 C ATOM 694 CD1 TYR A 45 4.878 13.383 0.817 1.00 0.00 C ATOM 695 CD2 TYR A 45 4.882 13.319 3.199 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.492 12.147 0.778 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.497 12.083 3.170 1.00 0.00 C ATOM 698 CZ TYR A 45 5.800 11.500 1.957 1.00 0.00 C ATOM 699 OH TYR A 45 6.413 10.269 1.922 1.00 0.00 O ATOM 0 H TYR A 45 3.044 15.294 -0.376 1.00 0.00 H new ATOM 0 HA TYR A 45 1.887 14.578 2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.436 16.031 1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.947 15.742 3.077 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.640 13.887 -0.108 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.646 13.772 4.151 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.730 11.689 -0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.739 11.575 4.092 1.00 0.00 H new ATOM 0 HH TYR A 45 6.562 9.951 2.837 1.00 0.00 H new ATOM 709 N GLU A 46 1.664 17.449 0.768 1.00 0.00 N ATOM 710 CA GLU A 46 1.071 18.779 0.843 1.00 0.00 C ATOM 711 C GLU A 46 -0.437 18.692 1.055 1.00 0.00 C ATOM 712 O GLU A 46 -1.042 19.579 1.656 1.00 0.00 O ATOM 713 CB GLU A 46 1.373 19.568 -0.433 1.00 0.00 C ATOM 714 CG GLU A 46 2.694 20.318 -0.387 1.00 0.00 C ATOM 715 CD GLU A 46 3.886 19.391 -0.253 1.00 0.00 C ATOM 716 OE1 GLU A 46 4.205 18.688 -1.234 1.00 0.00 O ATOM 717 OE2 GLU A 46 4.501 19.370 0.834 1.00 0.00 O ATOM 0 H GLU A 46 1.968 17.174 -0.166 1.00 0.00 H new ATOM 0 HA GLU A 46 1.510 19.297 1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.384 18.882 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.567 20.280 -0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.801 20.913 -1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.683 21.014 0.452 1.00 0.00 H new ATOM 724 N GLU A 47 -1.038 17.616 0.555 1.00 0.00 N ATOM 725 CA GLU A 47 -2.476 17.413 0.689 1.00 0.00 C ATOM 726 C GLU A 47 -2.778 16.308 1.696 1.00 0.00 C ATOM 727 O GLU A 47 -3.669 16.443 2.534 1.00 0.00 O ATOM 728 CB GLU A 47 -3.092 17.065 -0.668 1.00 0.00 C ATOM 729 CG GLU A 47 -3.376 18.279 -1.537 1.00 0.00 C ATOM 730 CD GLU A 47 -4.016 19.414 -0.762 1.00 0.00 C ATOM 731 OE1 GLU A 47 -4.856 19.132 0.118 1.00 0.00 O ATOM 732 OE2 GLU A 47 -3.677 20.585 -1.036 1.00 0.00 O ATOM 0 H GLU A 47 -0.552 16.872 0.054 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.916 18.341 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.418 16.396 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.021 16.519 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.445 18.628 -1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.032 17.989 -2.357 1.00 0.00 H new ATOM 739 N GLY A 48 -2.029 15.213 1.607 1.00 0.00 N ATOM 740 CA GLY A 48 -2.232 14.099 2.515 1.00 0.00 C ATOM 741 C GLY A 48 -2.793 12.876 1.817 1.00 0.00 C ATOM 742 O GLY A 48 -3.465 12.051 2.436 1.00 0.00 O ATOM 0 H GLY A 48 -1.285 15.078 0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.284 13.841 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.912 14.403 3.311 1.00 0.00 H new ATOM 746 N LYS A 49 -2.517 12.758 0.522 1.00 0.00 N ATOM 747 CA LYS A 49 -2.998 11.627 -0.263 1.00 0.00 C ATOM 748 C LYS A 49 -1.858 10.983 -1.045 1.00 0.00 C ATOM 749 O LYS A 49 -0.894 11.651 -1.417 1.00 0.00 O ATOM 750 CB LYS A 49 -4.099 12.080 -1.225 1.00 0.00 C ATOM 751 CG LYS A 49 -3.751 13.340 -1.998 1.00 0.00 C ATOM 752 CD LYS A 49 -4.559 13.448 -3.281 1.00 0.00 C ATOM 753 CE LYS A 49 -3.792 14.196 -4.361 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.556 14.262 -5.638 1.00 0.00 N ATOM 0 H LYS A 49 -1.963 13.432 -0.006 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.406 10.886 0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.306 11.276 -1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.015 12.252 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.938 14.214 -1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.687 13.340 -2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.812 12.450 -3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.499 13.962 -3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.572 15.206 -4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.835 13.703 -4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.000 14.779 -6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.744 13.298 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.458 14.755 -5.478 1.00 0.00 H new ATOM 768 N MET A 50 -1.976 9.683 -1.291 1.00 0.00 N ATOM 769 CA MET A 50 -0.956 8.950 -2.032 1.00 0.00 C ATOM 770 C MET A 50 -1.569 8.212 -3.217 1.00 0.00 C ATOM 771 O MET A 50 -2.671 7.670 -3.122 1.00 0.00 O ATOM 772 CB MET A 50 -0.242 7.958 -1.112 1.00 0.00 C ATOM 773 CG MET A 50 -1.132 7.398 -0.014 1.00 0.00 C ATOM 774 SD MET A 50 -0.411 5.959 0.798 1.00 0.00 S ATOM 775 CE MET A 50 -1.671 4.726 0.485 1.00 0.00 C ATOM 0 H MET A 50 -2.767 9.115 -0.988 1.00 0.00 H new ATOM 0 HA MET A 50 -0.231 9.670 -2.412 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.145 7.133 -1.711 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.617 8.451 -0.656 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.318 8.174 0.728 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.098 7.125 -0.439 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.289 3.740 0.751 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.554 4.947 1.085 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.938 4.739 -0.572 1.00 0.00 H new ATOM 785 N LEU A 51 -0.849 8.194 -4.334 1.00 0.00 N ATOM 786 CA LEU A 51 -1.323 7.523 -5.539 1.00 0.00 C ATOM 787 C LEU A 51 -1.060 6.022 -5.465 1.00 0.00 C ATOM 788 O LEU A 51 0.085 5.577 -5.546 1.00 0.00 O ATOM 789 CB LEU A 51 -0.642 8.111 -6.776 1.00 0.00 C ATOM 790 CG LEU A 51 -1.457 8.080 -8.069 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.606 8.526 -9.248 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.019 6.686 -8.312 1.00 0.00 C ATOM 0 H LEU A 51 0.065 8.636 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.399 7.682 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.376 9.146 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.290 7.571 -6.944 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.291 8.774 -7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.203 8.497 -10.159 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.253 9.543 -9.078 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.249 7.858 -9.353 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.596 6.683 -9.237 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.199 5.972 -8.393 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.664 6.404 -7.480 1.00 0.00 H new ATOM 804 N VAL A 52 -2.128 5.246 -5.313 1.00 0.00 N ATOM 805 CA VAL A 52 -2.014 3.794 -5.232 1.00 0.00 C ATOM 806 C VAL A 52 -2.627 3.125 -6.456 1.00 0.00 C ATOM 807 O VAL A 52 -3.727 3.478 -6.884 1.00 0.00 O ATOM 808 CB VAL A 52 -2.698 3.247 -3.964 1.00 0.00 C ATOM 809 CG1 VAL A 52 -4.177 3.600 -3.962 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.499 1.743 -3.860 1.00 0.00 C ATOM 0 H VAL A 52 -3.083 5.598 -5.243 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.950 3.562 -5.190 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.237 3.712 -3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.644 3.206 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.292 4.684 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.656 3.164 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.988 1.373 -2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.933 1.257 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.433 1.519 -3.812 1.00 0.00 H new ATOM 820 N HIS A 53 -1.909 2.157 -7.017 1.00 0.00 N ATOM 821 CA HIS A 53 -2.384 1.436 -8.193 1.00 0.00 C ATOM 822 C HIS A 53 -2.870 0.040 -7.815 1.00 0.00 C ATOM 823 O HIS A 53 -2.180 -0.700 -7.113 1.00 0.00 O ATOM 824 CB HIS A 53 -1.273 1.337 -9.238 1.00 0.00 C ATOM 825 CG HIS A 53 -0.479 0.070 -9.150 1.00 0.00 C ATOM 826 ND1 HIS A 53 -1.041 -1.182 -9.289 1.00 0.00 N ATOM 827 CD2 HIS A 53 0.842 -0.134 -8.937 1.00 0.00 C ATOM 828 CE1 HIS A 53 -0.101 -2.101 -9.164 1.00 0.00 C ATOM 829 NE2 HIS A 53 1.051 -1.491 -8.950 1.00 0.00 N ATOM 0 H HIS A 53 -0.997 1.854 -6.676 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.222 1.990 -8.616 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.713 1.412 -10.232 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.600 2.187 -9.122 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -2.029 -1.369 -9.461 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.592 0.628 -8.785 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.249 -3.169 -9.226 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.312 5.128 -8.453 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.272 5.945 -7.721 1.00 0.00 C ATOM 1007 C GLU A 63 -5.673 6.444 -6.409 1.00 0.00 C ATOM 1008 O GLU A 63 -5.162 5.659 -5.610 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.547 5.147 -7.442 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.500 5.839 -6.482 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.424 4.867 -5.774 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -10.181 4.155 -6.468 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -9.389 4.817 -4.527 1.00 0.00 O ATOM 0 HA GLU A 63 -6.521 6.808 -8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.064 4.963 -8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.275 4.174 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.924 6.393 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.097 6.568 -7.031 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.740 7.753 -6.195 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.205 8.357 -4.980 1.00 0.00 C ATOM 1022 C TRP A 64 -6.049 7.983 -3.767 1.00 0.00 C ATOM 1023 O TRP A 64 -7.274 8.113 -3.789 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.145 9.878 -5.126 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.115 10.341 -6.111 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.260 10.438 -7.465 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.780 10.768 -5.817 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.096 10.899 -8.031 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.173 11.110 -7.042 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.039 10.897 -4.639 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -0.862 11.571 -7.119 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.737 11.354 -4.718 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.159 11.687 -5.951 1.00 0.00 C ATOM 0 H TRP A 64 -6.159 8.416 -6.847 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.196 7.973 -4.828 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.124 10.245 -5.435 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.932 10.321 -4.153 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.158 10.189 -8.011 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -2.944 11.058 -9.027 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.476 10.644 -3.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.415 11.828 -8.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.155 11.456 -3.814 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.861 12.042 -5.979 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.389 7.518 -2.712 1.00 0.00 N ATOM 1045 CA ILE A 65 -6.081 7.126 -1.490 1.00 0.00 C ATOM 1046 C ILE A 65 -5.368 7.669 -0.257 1.00 0.00 C ATOM 1047 O ILE A 65 -4.213 7.331 0.005 1.00 0.00 O ATOM 1048 CB ILE A 65 -6.192 5.595 -1.373 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.950 5.023 -2.573 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.883 5.212 -0.072 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -7.112 3.520 -2.524 1.00 0.00 C ATOM 0 H ILE A 65 -4.376 7.403 -2.679 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.083 7.551 -1.544 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.187 5.172 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.936 5.485 -2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.423 5.294 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.954 4.126 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.307 5.592 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.884 5.643 -0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.658 3.184 -3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.129 3.049 -2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.665 3.243 -1.627 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.064 8.512 0.499 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.497 9.103 1.705 1.00 0.00 C ATOM 1065 C TYR A 66 -4.706 8.068 2.499 1.00 0.00 C ATOM 1066 O TYR A 66 -5.243 7.037 2.904 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.606 9.692 2.579 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.298 10.884 1.956 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.568 11.885 1.327 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.681 11.010 1.999 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -7.195 12.976 0.757 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.317 12.097 1.431 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.570 13.077 0.811 1.00 0.00 C ATOM 1074 OH TYR A 66 -9.199 14.162 0.245 1.00 0.00 O ATOM 0 H TYR A 66 -7.021 8.801 0.298 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.818 9.900 1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.346 8.918 2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.182 9.989 3.538 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.492 11.809 1.283 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.269 10.245 2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.612 13.745 0.272 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.393 12.179 1.472 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.168 14.080 0.369 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.427 8.351 2.717 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.560 7.445 3.463 1.00 0.00 C ATOM 1086 C TRP A 67 -3.094 7.219 4.873 1.00 0.00 C ATOM 1087 O TRP A 67 -2.601 6.358 5.602 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.138 8.005 3.526 1.00 0.00 C ATOM 1089 CG TRP A 67 -1.090 9.477 3.803 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -2.147 10.289 4.102 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.073 10.312 3.804 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.710 11.579 4.289 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.352 11.619 4.113 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.432 10.082 3.576 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.534 12.689 4.197 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.311 11.146 3.660 1.00 0.00 C ATOM 1097 CH2 TRP A 67 1.859 12.436 3.970 1.00 0.00 C ATOM 0 H TRP A 67 -2.967 9.200 2.388 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.543 6.487 2.944 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.582 7.478 4.302 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.634 7.804 2.581 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.174 9.965 4.180 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.301 12.377 4.521 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.790 9.091 3.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.188 13.684 4.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.364 10.980 3.484 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.571 13.246 4.031 1.00 0.00 H new ATOM 1108 N ASP A 68 -4.103 7.996 5.251 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.705 7.878 6.574 1.00 0.00 C ATOM 1110 C ASP A 68 -6.117 7.310 6.480 1.00 0.00 C ATOM 1111 O ASP A 68 -6.932 7.494 7.384 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.735 9.241 7.267 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.418 9.189 8.619 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -4.789 8.707 9.584 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -6.583 9.630 8.712 1.00 0.00 O ATOM 0 H ASP A 68 -4.521 8.714 4.660 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.096 7.193 7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.715 9.604 7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.252 9.958 6.629 1.00 0.00 H new ATOM 1120 N SER A 69 -6.400 6.620 5.380 1.00 0.00 N ATOM 1121 CA SER A 69 -7.716 6.029 5.166 1.00 0.00 C ATOM 1122 C SER A 69 -7.895 4.776 6.018 1.00 0.00 C ATOM 1123 O SER A 69 -8.987 4.497 6.509 1.00 0.00 O ATOM 1124 CB SER A 69 -7.910 5.687 3.687 1.00 0.00 C ATOM 1125 OG SER A 69 -9.285 5.670 3.344 1.00 0.00 O ATOM 0 H SER A 69 -5.736 6.456 4.623 1.00 0.00 H new ATOM 0 HA SER A 69 -8.468 6.759 5.464 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.387 6.418 3.070 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.467 4.714 3.474 1.00 0.00 H new ATOM 0 HG SER A 69 -9.407 6.078 2.462 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.811 4.025 6.188 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.847 2.801 6.980 1.00 0.00 C ATOM 1133 C ASN A 70 -7.543 1.679 6.215 1.00 0.00 C ATOM 1134 O ASN A 70 -8.188 0.816 6.811 1.00 0.00 O ATOM 1135 CB ASN A 70 -7.564 3.049 8.308 1.00 0.00 C ATOM 1136 CG ASN A 70 -7.224 4.401 8.905 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -6.057 4.708 9.150 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -8.245 5.217 9.142 1.00 0.00 N ATOM 0 H ASN A 70 -5.898 4.243 5.788 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.820 2.497 7.181 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.641 2.983 8.154 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.295 2.264 9.015 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.078 6.140 9.543 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.196 4.921 8.923 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.407 1.698 4.894 1.00 0.00 N ATOM 1146 CA ARG A 71 -8.023 0.682 4.048 1.00 0.00 C ATOM 1147 C ARG A 71 -6.961 -0.175 3.366 1.00 0.00 C ATOM 1148 O ARG A 71 -7.228 -0.826 2.355 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.917 1.339 2.994 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.891 2.354 3.570 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.492 3.229 2.481 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.118 2.436 1.425 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.058 2.906 0.612 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.478 4.158 0.733 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -12.579 2.124 -0.324 1.00 0.00 N ATOM 0 H ARG A 71 -6.876 2.405 4.386 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.633 0.038 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.288 1.831 2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.479 0.564 2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.688 1.834 4.102 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.377 2.980 4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.233 3.897 2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.713 3.857 2.049 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.817 1.469 1.306 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.079 4.762 1.451 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.200 4.517 0.108 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.258 1.161 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.301 2.486 -0.947 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.755 -0.169 3.924 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.652 -0.946 3.370 1.00 0.00 C ATOM 1171 C LEU A 72 -4.068 -1.887 4.419 1.00 0.00 C ATOM 1172 O LEU A 72 -4.182 -1.642 5.620 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.561 -0.013 2.842 1.00 0.00 C ATOM 1174 CG LEU A 72 -4.039 1.318 2.261 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.997 2.403 2.485 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.350 1.172 0.779 1.00 0.00 C ATOM 0 H LEU A 72 -5.516 0.365 4.759 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.040 -1.546 2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.866 0.197 3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.000 -0.542 2.072 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.954 1.610 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.355 3.343 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.824 2.526 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.065 2.119 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.689 2.129 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.452 0.857 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.133 0.426 0.643 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.441 -2.964 3.956 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.838 -3.941 4.854 1.00 0.00 C ATOM 1190 C ARG A 73 -1.390 -4.221 4.460 1.00 0.00 C ATOM 1191 O ARG A 73 -0.990 -4.050 3.309 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.642 -5.243 4.840 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.122 -5.041 4.557 1.00 0.00 C ATOM 1194 CD ARG A 73 -5.810 -6.356 4.225 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.174 -7.489 4.890 1.00 0.00 N ATOM 1196 CZ ARG A 73 -5.384 -7.806 6.163 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -6.208 -7.078 6.904 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -4.768 -8.853 6.698 1.00 0.00 N ATOM 0 H ARG A 73 -3.338 -3.182 2.965 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.849 -3.526 5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.224 -5.910 4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.529 -5.740 5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.601 -4.587 5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.243 -4.346 3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.857 -6.302 4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.792 -6.512 3.146 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.534 -8.069 4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.683 -6.272 6.497 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.367 -7.324 7.881 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.133 -9.415 6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.930 -9.095 7.675 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.585 -4.662 5.439 1.00 0.00 N ATOM 1213 CA PRO A 74 0.830 -4.975 5.219 1.00 0.00 C ATOM 1214 C PRO A 74 1.021 -6.223 4.365 1.00 0.00 C ATOM 1215 O PRO A 74 1.044 -7.342 4.879 1.00 0.00 O ATOM 1216 CB PRO A 74 1.366 -5.207 6.634 1.00 0.00 C ATOM 1217 CG PRO A 74 0.175 -5.626 7.426 1.00 0.00 C ATOM 1218 CD PRO A 74 -0.995 -4.889 6.835 1.00 0.00 C ATOM 0 HA PRO A 74 1.345 -4.180 4.679 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.138 -5.976 6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.814 -4.300 7.041 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.027 -6.704 7.367 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.300 -5.378 8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.911 -5.476 6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.184 -3.950 7.356 1.00 0.00 H new ATOM 1226 N LEU A 75 1.160 -6.025 3.058 1.00 0.00 N ATOM 1227 CA LEU A 75 1.351 -7.136 2.132 1.00 0.00 C ATOM 1228 C LEU A 75 2.582 -7.954 2.509 1.00 0.00 C ATOM 1229 O LEU A 75 3.646 -7.400 2.783 1.00 0.00 O ATOM 1230 CB LEU A 75 1.489 -6.614 0.701 1.00 0.00 C ATOM 1231 CG LEU A 75 1.789 -7.664 -0.370 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.503 -8.323 -0.846 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.533 -7.035 -1.539 1.00 0.00 C ATOM 0 H LEU A 75 1.144 -5.106 2.616 1.00 0.00 H new ATOM 0 HA LEU A 75 0.476 -7.783 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.565 -6.103 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.283 -5.868 0.683 1.00 0.00 H new ATOM 0 HG LEU A 75 2.426 -8.432 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.736 -9.067 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.009 -8.808 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.159 -7.567 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.738 -7.796 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.921 -6.247 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.473 -6.611 -1.186 1.00 0.00 H new