USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 TYR OH : rot -129:sc= 1.06 USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= 1.13 USER MOD Set 2.1: A 18 THR OG1 : rot 66:sc= 1.6 USER MOD Set 2.2: A 21 SER OG : rot 62:sc= -0.346 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -40:sc= 0.946 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.375 USER MOD Single : A 33 THR OG1 : rot -60:sc= -1.47 USER MOD Single : A 37 TYR OH : rot -57:sc= 0.358 USER MOD Single : A 40 THR OG1 : rot 180:sc= -2.58! USER MOD Single : A 57 SER OG : rot 60:sc= -0.453 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 160:sc= -2.96! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 42:sc= -2.98! USER MOD Single : A 76 SER OG : rot 180:sc= -0.702 USER MOD Single : A 79 THR OG1 : rot 49:sc= 0.0225 USER MOD Single : A 82 ASN : amide:sc= -0.852 K(o=-0.85,f=-2.7!) USER MOD Single : B 208 SER OG : rot 180:sc= 0 USER MOD Single : B 210 THR OG1 : rot -4:sc= 0.308 USER MOD Single : B 213 ASN : amide:sc= -1.04 K(o=-1,f=-3.1!) USER MOD Single : B 215 LYS NZ :NH3+ -121:sc= -0.286 (180deg=-1.33) USER MOD Single : B 217 THR OG1 : rot 180:sc= 0 USER MOD Single : B 219 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 114 N ASP A 11 0.829 -0.258 -8.371 1.00 0.00 N ATOM 115 CA ASP A 11 0.295 -0.538 -9.704 1.00 0.00 C ATOM 116 C ASP A 11 0.670 -1.953 -10.137 1.00 0.00 C ATOM 117 O ASP A 11 1.557 -2.574 -9.554 1.00 0.00 O ATOM 118 CB ASP A 11 0.859 0.466 -10.709 1.00 0.00 C ATOM 119 CG ASP A 11 0.256 1.841 -10.454 1.00 0.00 C ATOM 120 OD1 ASP A 11 -0.723 1.911 -9.731 1.00 0.00 O ATOM 121 OD2 ASP A 11 0.784 2.804 -10.984 1.00 0.00 O ATOM 0 HA ASP A 11 -0.791 -0.451 -9.671 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.944 0.512 -10.621 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.635 0.143 -11.726 1.00 0.00 H new ATOM 126 N LEU A 12 -0.016 -2.456 -11.159 1.00 0.00 N ATOM 127 CA LEU A 12 0.256 -3.801 -11.659 1.00 0.00 C ATOM 128 C LEU A 12 1.645 -3.871 -12.276 1.00 0.00 C ATOM 129 O LEU A 12 2.064 -2.962 -12.993 1.00 0.00 O ATOM 130 CB LEU A 12 -0.789 -4.192 -12.713 1.00 0.00 C ATOM 131 CG LEU A 12 -0.554 -5.634 -13.190 1.00 0.00 C ATOM 132 CD1 LEU A 12 -0.712 -6.612 -12.016 1.00 0.00 C ATOM 133 CD2 LEU A 12 -1.578 -5.968 -14.281 1.00 0.00 C ATOM 0 H LEU A 12 -0.757 -1.959 -11.653 1.00 0.00 H new ATOM 0 HA LEU A 12 0.205 -4.495 -10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.791 -4.100 -12.293 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.734 -3.508 -13.560 1.00 0.00 H new ATOM 0 HG LEU A 12 0.457 -5.726 -13.587 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.543 -7.631 -12.366 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.014 -6.370 -11.240 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.719 -6.531 -11.608 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.421 -6.989 -14.627 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.585 -5.873 -13.876 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.457 -5.279 -15.117 1.00 0.00 H new ATOM 145 N SER A 13 2.355 -4.966 -11.996 1.00 0.00 N ATOM 146 CA SER A 13 3.701 -5.160 -12.535 1.00 0.00 C ATOM 147 C SER A 13 3.898 -6.607 -12.960 1.00 0.00 C ATOM 148 O SER A 13 3.261 -7.517 -12.431 1.00 0.00 O ATOM 149 CB SER A 13 4.753 -4.796 -11.492 1.00 0.00 C ATOM 150 OG SER A 13 4.927 -5.892 -10.605 1.00 0.00 O ATOM 0 H SER A 13 2.023 -5.727 -11.403 1.00 0.00 H new ATOM 0 HA SER A 13 3.814 -4.509 -13.402 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.697 -4.553 -11.979 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.443 -3.910 -10.938 1.00 0.00 H new ATOM 0 HG SER A 13 5.603 -5.665 -9.933 1.00 0.00 H new ATOM 156 N PHE A 14 4.785 -6.810 -13.928 1.00 0.00 N ATOM 157 CA PHE A 14 5.067 -8.146 -14.445 1.00 0.00 C ATOM 158 C PHE A 14 6.476 -8.589 -14.064 1.00 0.00 C ATOM 159 O PHE A 14 7.402 -7.780 -14.032 1.00 0.00 O ATOM 160 CB PHE A 14 4.941 -8.112 -15.960 1.00 0.00 C ATOM 161 CG PHE A 14 3.593 -7.549 -16.322 1.00 0.00 C ATOM 162 CD1 PHE A 14 3.371 -6.171 -16.227 1.00 0.00 C ATOM 163 CD2 PHE A 14 2.575 -8.396 -16.767 1.00 0.00 C ATOM 164 CE1 PHE A 14 2.126 -5.639 -16.581 1.00 0.00 C ATOM 165 CE2 PHE A 14 1.331 -7.866 -17.127 1.00 0.00 C ATOM 166 CZ PHE A 14 1.106 -6.487 -17.034 1.00 0.00 C ATOM 0 H PHE A 14 5.323 -6.065 -14.372 1.00 0.00 H new ATOM 0 HA PHE A 14 4.358 -8.854 -14.016 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.734 -7.500 -16.391 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.054 -9.115 -16.371 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.159 -5.519 -15.881 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.748 -9.460 -16.833 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.951 -4.576 -16.505 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.545 -8.520 -17.476 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.146 -6.077 -17.311 1.00 0.00 H new ATOM 176 N VAL A 15 6.630 -9.881 -13.785 1.00 0.00 N ATOM 177 CA VAL A 15 7.934 -10.433 -13.416 1.00 0.00 C ATOM 178 C VAL A 15 8.102 -11.831 -13.995 1.00 0.00 C ATOM 179 O VAL A 15 7.131 -12.463 -14.411 1.00 0.00 O ATOM 180 CB VAL A 15 8.063 -10.485 -11.896 1.00 0.00 C ATOM 181 CG1 VAL A 15 8.039 -9.060 -11.337 1.00 0.00 C ATOM 182 CG2 VAL A 15 6.892 -11.283 -11.312 1.00 0.00 C ATOM 0 H VAL A 15 5.873 -10.564 -13.807 1.00 0.00 H new ATOM 0 HA VAL A 15 8.714 -9.789 -13.823 1.00 0.00 H new ATOM 0 HB VAL A 15 9.002 -10.968 -11.625 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.131 -9.093 -10.251 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.870 -8.491 -11.754 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.099 -8.579 -11.607 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.983 -11.321 -10.226 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.953 -10.800 -11.581 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.907 -12.296 -11.713 1.00 0.00 H new ATOM 192 N ASP A 16 9.338 -12.314 -14.015 1.00 0.00 N ATOM 193 CA ASP A 16 9.619 -13.641 -14.541 1.00 0.00 C ATOM 194 C ASP A 16 8.993 -13.825 -15.919 1.00 0.00 C ATOM 195 O ASP A 16 8.628 -14.938 -16.298 1.00 0.00 O ATOM 196 CB ASP A 16 9.088 -14.709 -13.580 1.00 0.00 C ATOM 197 CG ASP A 16 9.966 -14.783 -12.333 1.00 0.00 C ATOM 198 OD1 ASP A 16 11.078 -14.282 -12.381 1.00 0.00 O ATOM 199 OD2 ASP A 16 9.511 -15.340 -11.348 1.00 0.00 O ATOM 0 H ASP A 16 10.156 -11.809 -13.675 1.00 0.00 H new ATOM 0 HA ASP A 16 10.699 -13.748 -14.638 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.062 -14.475 -13.297 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.069 -15.679 -14.078 1.00 0.00 H new ATOM 204 N ILE A 17 8.881 -12.732 -16.669 1.00 0.00 N ATOM 205 CA ILE A 17 8.308 -12.793 -18.006 1.00 0.00 C ATOM 206 C ILE A 17 9.064 -13.807 -18.857 1.00 0.00 C ATOM 207 O ILE A 17 10.290 -13.893 -18.798 1.00 0.00 O ATOM 208 CB ILE A 17 8.393 -11.416 -18.660 1.00 0.00 C ATOM 209 CG1 ILE A 17 7.497 -10.439 -17.894 1.00 0.00 C ATOM 210 CG2 ILE A 17 7.933 -11.497 -20.119 1.00 0.00 C ATOM 211 CD1 ILE A 17 7.773 -9.002 -18.352 1.00 0.00 C ATOM 0 H ILE A 17 9.177 -11.801 -16.375 1.00 0.00 H new ATOM 0 HA ILE A 17 7.265 -13.100 -17.931 1.00 0.00 H new ATOM 0 HB ILE A 17 9.426 -11.069 -18.634 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.449 -10.687 -18.061 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.679 -10.529 -16.823 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.997 -10.510 -20.576 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.572 -12.192 -20.664 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.902 -11.847 -20.156 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.131 -8.315 -17.801 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.817 -8.754 -18.162 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.568 -8.914 -19.419 1.00 0.00 H new ATOM 223 N THR A 18 8.319 -14.585 -19.636 1.00 0.00 N ATOM 224 CA THR A 18 8.915 -15.609 -20.496 1.00 0.00 C ATOM 225 C THR A 18 8.270 -15.569 -21.883 1.00 0.00 C ATOM 226 O THR A 18 7.554 -14.626 -22.221 1.00 0.00 O ATOM 227 CB THR A 18 8.751 -17.008 -19.857 1.00 0.00 C ATOM 228 OG1 THR A 18 8.512 -16.857 -18.465 1.00 0.00 O ATOM 229 CG2 THR A 18 10.022 -17.850 -20.060 1.00 0.00 C ATOM 0 H THR A 18 7.302 -14.528 -19.691 1.00 0.00 H new ATOM 0 HA THR A 18 9.980 -15.405 -20.603 1.00 0.00 H new ATOM 0 HB THR A 18 7.913 -17.516 -20.334 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.651 -16.410 -18.328 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.886 -18.830 -19.603 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.212 -17.970 -21.127 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.870 -17.347 -19.594 1.00 0.00 H new ATOM 237 N ASP A 19 8.519 -16.611 -22.669 1.00 0.00 N ATOM 238 CA ASP A 19 7.957 -16.706 -24.014 1.00 0.00 C ATOM 239 C ASP A 19 6.548 -17.299 -23.974 1.00 0.00 C ATOM 240 O ASP A 19 5.627 -16.778 -24.605 1.00 0.00 O ATOM 241 CB ASP A 19 8.860 -17.582 -24.890 1.00 0.00 C ATOM 242 CG ASP A 19 9.106 -18.924 -24.209 1.00 0.00 C ATOM 243 OD1 ASP A 19 8.768 -19.044 -23.043 1.00 0.00 O ATOM 244 OD2 ASP A 19 9.631 -19.812 -24.862 1.00 0.00 O ATOM 0 H ASP A 19 9.105 -17.401 -22.400 1.00 0.00 H new ATOM 0 HA ASP A 19 7.898 -15.702 -24.435 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.395 -17.739 -25.863 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.809 -17.076 -25.068 1.00 0.00 H new ATOM 249 N SER A 20 6.387 -18.391 -23.223 1.00 0.00 N ATOM 250 CA SER A 20 5.089 -19.062 -23.095 1.00 0.00 C ATOM 251 C SER A 20 4.638 -19.101 -21.634 1.00 0.00 C ATOM 252 O SER A 20 3.698 -19.817 -21.287 1.00 0.00 O ATOM 253 CB SER A 20 5.188 -20.487 -23.636 1.00 0.00 C ATOM 254 OG SER A 20 5.308 -20.448 -25.051 1.00 0.00 O ATOM 0 H SER A 20 7.140 -18.831 -22.693 1.00 0.00 H new ATOM 0 HA SER A 20 4.354 -18.500 -23.671 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.049 -20.994 -23.201 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.305 -21.058 -23.351 1.00 0.00 H new ATOM 0 HG SER A 20 4.717 -19.754 -25.410 1.00 0.00 H new ATOM 260 N SER A 21 5.313 -18.331 -20.784 1.00 0.00 N ATOM 261 CA SER A 21 4.978 -18.282 -19.359 1.00 0.00 C ATOM 262 C SER A 21 5.321 -16.911 -18.780 1.00 0.00 C ATOM 263 O SER A 21 6.315 -16.293 -19.159 1.00 0.00 O ATOM 264 CB SER A 21 5.755 -19.362 -18.607 1.00 0.00 C ATOM 265 OG SER A 21 7.140 -19.035 -18.616 1.00 0.00 O ATOM 0 H SER A 21 6.094 -17.733 -21.054 1.00 0.00 H new ATOM 0 HA SER A 21 3.908 -18.457 -19.246 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.394 -19.439 -17.581 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.596 -20.334 -19.075 1.00 0.00 H new ATOM 0 HG SER A 21 7.277 -18.181 -18.156 1.00 0.00 H new ATOM 271 N ILE A 22 4.487 -16.441 -17.858 1.00 0.00 N ATOM 272 CA ILE A 22 4.696 -15.138 -17.219 1.00 0.00 C ATOM 273 C ILE A 22 4.354 -15.218 -15.734 1.00 0.00 C ATOM 274 O ILE A 22 3.436 -15.940 -15.338 1.00 0.00 O ATOM 275 CB ILE A 22 3.822 -14.086 -17.905 1.00 0.00 C ATOM 276 CG1 ILE A 22 2.349 -14.505 -17.844 1.00 0.00 C ATOM 277 CG2 ILE A 22 4.254 -13.958 -19.363 1.00 0.00 C ATOM 278 CD1 ILE A 22 1.476 -13.381 -18.410 1.00 0.00 C ATOM 0 H ILE A 22 3.659 -16.940 -17.534 1.00 0.00 H new ATOM 0 HA ILE A 22 5.744 -14.855 -17.318 1.00 0.00 H new ATOM 0 HB ILE A 22 3.938 -13.130 -17.395 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.196 -15.421 -18.414 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.063 -14.719 -16.814 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.637 -13.210 -19.861 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.300 -13.653 -19.407 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.135 -14.919 -19.864 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.428 -13.678 -18.367 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.621 -12.476 -17.821 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.757 -13.189 -19.446 1.00 0.00 H new ATOM 290 N GLY A 23 5.096 -14.478 -14.911 1.00 0.00 N ATOM 291 CA GLY A 23 4.857 -14.480 -13.469 1.00 0.00 C ATOM 292 C GLY A 23 3.979 -13.305 -13.063 1.00 0.00 C ATOM 293 O GLY A 23 4.477 -12.247 -12.677 1.00 0.00 O ATOM 0 H GLY A 23 5.861 -13.875 -15.214 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.379 -15.415 -13.177 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.808 -14.429 -12.939 1.00 0.00 H new ATOM 297 N LEU A 24 2.669 -13.497 -13.151 1.00 0.00 N ATOM 298 CA LEU A 24 1.733 -12.440 -12.793 1.00 0.00 C ATOM 299 C LEU A 24 1.889 -12.080 -11.315 1.00 0.00 C ATOM 300 O LEU A 24 1.734 -12.929 -10.438 1.00 0.00 O ATOM 301 CB LEU A 24 0.303 -12.910 -13.064 1.00 0.00 C ATOM 302 CG LEU A 24 0.130 -13.242 -14.550 1.00 0.00 C ATOM 303 CD1 LEU A 24 -1.274 -13.811 -14.769 1.00 0.00 C ATOM 304 CD2 LEU A 24 0.317 -11.975 -15.403 1.00 0.00 C ATOM 0 H LEU A 24 2.234 -14.365 -13.464 1.00 0.00 H new ATOM 0 HA LEU A 24 1.944 -11.556 -13.395 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.080 -13.789 -12.459 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.405 -12.134 -12.772 1.00 0.00 H new ATOM 0 HG LEU A 24 0.879 -13.975 -14.849 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.409 -14.051 -15.824 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.397 -14.715 -14.172 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.017 -13.073 -14.467 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.192 -12.224 -16.457 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.425 -11.230 -15.115 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.317 -11.572 -15.242 1.00 0.00 H new ATOM 316 N ARG A 25 2.207 -10.812 -11.047 1.00 0.00 N ATOM 317 CA ARG A 25 2.396 -10.344 -9.674 1.00 0.00 C ATOM 318 C ARG A 25 1.751 -8.983 -9.491 1.00 0.00 C ATOM 319 O ARG A 25 1.896 -8.093 -10.328 1.00 0.00 O ATOM 320 CB ARG A 25 3.898 -10.260 -9.365 1.00 0.00 C ATOM 321 CG ARG A 25 4.136 -9.671 -7.967 1.00 0.00 C ATOM 322 CD ARG A 25 3.454 -10.539 -6.910 1.00 0.00 C ATOM 323 NE ARG A 25 4.074 -10.330 -5.605 1.00 0.00 N ATOM 324 CZ ARG A 25 3.692 -9.339 -4.804 1.00 0.00 C ATOM 325 NH1 ARG A 25 2.747 -8.523 -5.180 1.00 0.00 N ATOM 326 NH2 ARG A 25 4.268 -9.188 -3.644 1.00 0.00 N ATOM 0 H ARG A 25 2.338 -10.094 -11.760 1.00 0.00 H new ATOM 0 HA ARG A 25 1.924 -11.047 -8.988 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.342 -11.253 -9.426 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.394 -9.642 -10.114 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.206 -9.612 -7.766 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.746 -8.654 -7.921 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.393 -10.295 -6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.527 -11.590 -7.191 1.00 0.00 H new ATOM 0 HE ARG A 25 4.817 -10.958 -5.300 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.300 -8.644 -6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.455 -7.763 -4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.008 -9.828 -3.355 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.979 -8.430 -3.026 1.00 0.00 H new ATOM 340 N TRP A 26 1.038 -8.833 -8.386 1.00 0.00 N ATOM 341 CA TRP A 26 0.364 -7.579 -8.076 1.00 0.00 C ATOM 342 C TRP A 26 0.335 -7.374 -6.568 1.00 0.00 C ATOM 343 O TRP A 26 0.396 -8.335 -5.804 1.00 0.00 O ATOM 344 CB TRP A 26 -1.063 -7.607 -8.624 1.00 0.00 C ATOM 345 CG TRP A 26 -1.835 -8.704 -7.967 1.00 0.00 C ATOM 346 CD1 TRP A 26 -2.619 -8.563 -6.873 1.00 0.00 C ATOM 347 CD2 TRP A 26 -1.914 -10.106 -8.350 1.00 0.00 C ATOM 348 NE1 TRP A 26 -3.177 -9.790 -6.564 1.00 0.00 N ATOM 349 CE2 TRP A 26 -2.771 -10.772 -7.443 1.00 0.00 C ATOM 350 CE3 TRP A 26 -1.328 -10.856 -9.386 1.00 0.00 C ATOM 351 CZ2 TRP A 26 -3.040 -12.136 -7.563 1.00 0.00 C ATOM 352 CZ3 TRP A 26 -1.596 -12.228 -9.509 1.00 0.00 C ATOM 353 CH2 TRP A 26 -2.451 -12.866 -8.599 1.00 0.00 C ATOM 0 H TRP A 26 0.910 -9.565 -7.687 1.00 0.00 H new ATOM 0 HA TRP A 26 0.906 -6.755 -8.540 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -1.550 -6.649 -8.444 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.045 -7.758 -9.703 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.782 -7.643 -6.330 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -3.811 -9.949 -5.781 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.668 -10.373 -10.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -3.699 -12.624 -6.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -1.142 -12.795 -10.308 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -2.654 -13.922 -8.699 1.00 0.00 H new ATOM 364 N THR A 27 0.232 -6.118 -6.142 1.00 0.00 N ATOM 365 CA THR A 27 0.187 -5.796 -4.715 1.00 0.00 C ATOM 366 C THR A 27 -1.201 -5.275 -4.337 1.00 0.00 C ATOM 367 O THR A 27 -1.489 -4.097 -4.538 1.00 0.00 O ATOM 368 CB THR A 27 1.209 -4.709 -4.394 1.00 0.00 C ATOM 369 OG1 THR A 27 2.444 -4.990 -5.043 1.00 0.00 O ATOM 370 CG2 THR A 27 1.422 -4.638 -2.882 1.00 0.00 C ATOM 0 H THR A 27 0.178 -5.308 -6.760 1.00 0.00 H new ATOM 0 HA THR A 27 0.412 -6.702 -4.152 1.00 0.00 H new ATOM 0 HB THR A 27 0.834 -3.750 -4.752 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.092 -4.286 -4.832 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.152 -3.862 -2.653 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.477 -4.403 -2.392 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.789 -5.599 -2.521 1.00 0.00 H new ATOM 378 N PRO A 28 -2.060 -6.099 -3.800 1.00 0.00 N ATOM 379 CA PRO A 28 -3.431 -5.654 -3.406 1.00 0.00 C ATOM 380 C PRO A 28 -3.428 -4.444 -2.465 1.00 0.00 C ATOM 381 O PRO A 28 -2.540 -4.296 -1.622 1.00 0.00 O ATOM 382 CB PRO A 28 -4.043 -6.886 -2.716 1.00 0.00 C ATOM 383 CG PRO A 28 -3.254 -8.057 -3.215 1.00 0.00 C ATOM 384 CD PRO A 28 -1.848 -7.535 -3.528 1.00 0.00 C ATOM 0 HA PRO A 28 -3.998 -5.318 -4.274 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.977 -6.802 -1.631 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -5.099 -6.990 -2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.216 -8.847 -2.465 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.716 -8.485 -4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.168 -7.688 -2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.414 -8.045 -4.388 1.00 0.00 H new ATOM 392 N LEU A 29 -4.432 -3.578 -2.638 1.00 0.00 N ATOM 393 CA LEU A 29 -4.556 -2.373 -1.822 1.00 0.00 C ATOM 394 C LEU A 29 -5.140 -2.703 -0.474 1.00 0.00 C ATOM 395 O LEU A 29 -6.079 -3.483 -0.353 1.00 0.00 O ATOM 396 CB LEU A 29 -5.462 -1.345 -2.518 1.00 0.00 C ATOM 397 CG LEU A 29 -4.969 -1.115 -3.943 1.00 0.00 C ATOM 398 CD1 LEU A 29 -5.905 -0.132 -4.655 1.00 0.00 C ATOM 399 CD2 LEU A 29 -3.544 -0.551 -3.901 1.00 0.00 C ATOM 0 H LEU A 29 -5.168 -3.692 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.558 -1.953 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.492 -1.702 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.457 -0.406 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.964 -2.058 -4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.553 0.033 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.914 -0.544 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.915 0.816 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.188 -0.385 -4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.543 0.394 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.887 -1.260 -3.398 1.00 0.00 H new ATOM 411 N ASN A 30 -4.574 -2.088 0.538 1.00 0.00 N ATOM 412 CA ASN A 30 -5.029 -2.293 1.891 1.00 0.00 C ATOM 413 C ASN A 30 -6.541 -2.109 1.969 1.00 0.00 C ATOM 414 O ASN A 30 -7.225 -2.794 2.730 1.00 0.00 O ATOM 415 CB ASN A 30 -4.328 -1.291 2.792 1.00 0.00 C ATOM 416 CG ASN A 30 -4.836 -1.445 4.215 1.00 0.00 C ATOM 417 OD1 ASN A 30 -4.957 -2.565 4.706 1.00 0.00 O ATOM 418 ND2 ASN A 30 -5.145 -0.387 4.912 1.00 0.00 N ATOM 0 H ASN A 30 -3.793 -1.438 0.448 1.00 0.00 H new ATOM 0 HA ASN A 30 -4.793 -3.307 2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.250 -1.450 2.760 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.511 -0.277 2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.488 -0.488 5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.044 0.541 4.502 1.00 0.00 H new ATOM 425 N SER A 31 -7.050 -1.192 1.157 1.00 0.00 N ATOM 426 CA SER A 31 -8.483 -0.929 1.117 1.00 0.00 C ATOM 427 C SER A 31 -9.196 -1.986 0.272 1.00 0.00 C ATOM 428 O SER A 31 -10.340 -2.344 0.549 1.00 0.00 O ATOM 429 CB SER A 31 -8.746 0.459 0.534 1.00 0.00 C ATOM 430 OG SER A 31 -8.325 1.445 1.467 1.00 0.00 O ATOM 0 H SER A 31 -6.495 -0.620 0.520 1.00 0.00 H new ATOM 0 HA SER A 31 -8.870 -0.970 2.135 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.209 0.579 -0.407 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.807 0.579 0.314 1.00 0.00 H new ATOM 0 HG SER A 31 -8.490 2.337 1.097 1.00 0.00 H new ATOM 436 N SER A 32 -8.509 -2.484 -0.757 1.00 0.00 N ATOM 437 CA SER A 32 -9.095 -3.500 -1.633 1.00 0.00 C ATOM 438 C SER A 32 -9.458 -4.749 -0.825 1.00 0.00 C ATOM 439 O SER A 32 -8.695 -5.183 0.039 1.00 0.00 O ATOM 440 CB SER A 32 -8.106 -3.862 -2.752 1.00 0.00 C ATOM 441 OG SER A 32 -8.148 -2.855 -3.755 1.00 0.00 O ATOM 0 H SER A 32 -7.559 -2.205 -1.003 1.00 0.00 H new ATOM 0 HA SER A 32 -10.004 -3.098 -2.081 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.097 -3.949 -2.348 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.362 -4.831 -3.181 1.00 0.00 H new ATOM 0 HG SER A 32 -7.518 -3.080 -4.471 1.00 0.00 H new ATOM 447 N THR A 33 -10.629 -5.313 -1.112 1.00 0.00 N ATOM 448 CA THR A 33 -11.088 -6.502 -0.405 1.00 0.00 C ATOM 449 C THR A 33 -10.206 -7.693 -0.751 1.00 0.00 C ATOM 450 O THR A 33 -9.755 -7.831 -1.888 1.00 0.00 O ATOM 451 CB THR A 33 -12.541 -6.815 -0.772 1.00 0.00 C ATOM 452 OG1 THR A 33 -13.304 -5.623 -0.686 1.00 0.00 O ATOM 453 CG2 THR A 33 -13.120 -7.865 0.191 1.00 0.00 C ATOM 0 H THR A 33 -11.272 -4.967 -1.824 1.00 0.00 H new ATOM 0 HA THR A 33 -11.027 -6.309 0.666 1.00 0.00 H new ATOM 0 HB THR A 33 -12.579 -7.212 -1.787 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.263 -5.274 0.229 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.154 -8.078 -0.082 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.532 -8.781 0.127 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.085 -7.482 1.211 1.00 0.00 H new ATOM 461 N ILE A 34 -9.957 -8.548 0.236 1.00 0.00 N ATOM 462 CA ILE A 34 -9.116 -9.722 0.024 1.00 0.00 C ATOM 463 C ILE A 34 -9.979 -10.932 -0.323 1.00 0.00 C ATOM 464 O ILE A 34 -10.475 -11.632 0.561 1.00 0.00 O ATOM 465 CB ILE A 34 -8.320 -10.016 1.297 1.00 0.00 C ATOM 466 CG1 ILE A 34 -7.622 -8.736 1.778 1.00 0.00 C ATOM 467 CG2 ILE A 34 -7.277 -11.105 1.021 1.00 0.00 C ATOM 468 CD1 ILE A 34 -6.794 -8.120 0.646 1.00 0.00 C ATOM 0 H ILE A 34 -10.322 -8.452 1.184 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.432 -9.523 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.002 -10.366 2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.365 -8.018 2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.977 -8.963 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.714 -11.309 1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.779 -12.015 0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.595 -10.766 0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.306 -7.213 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.038 -8.834 0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.448 -7.874 -0.191 1.00 0.00 H new ATOM 480 N ILE A 35 -10.154 -11.172 -1.623 1.00 0.00 N ATOM 481 CA ILE A 35 -10.959 -12.299 -2.099 1.00 0.00 C ATOM 482 C ILE A 35 -10.346 -12.895 -3.357 1.00 0.00 C ATOM 483 O ILE A 35 -9.998 -12.175 -4.293 1.00 0.00 O ATOM 484 CB ILE A 35 -12.391 -11.833 -2.378 1.00 0.00 C ATOM 485 CG1 ILE A 35 -12.368 -10.658 -3.365 1.00 0.00 C ATOM 486 CG2 ILE A 35 -13.041 -11.388 -1.071 1.00 0.00 C ATOM 487 CD1 ILE A 35 -13.778 -10.071 -3.520 1.00 0.00 C ATOM 0 H ILE A 35 -9.749 -10.602 -2.366 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.979 -13.068 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.963 -12.655 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.682 -9.888 -3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.997 -10.994 -4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.061 -11.056 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.059 -12.223 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -12.468 -10.567 -0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.750 -9.238 -4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.453 -10.840 -3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.133 -9.718 -2.552 1.00 0.00 H new ATOM 499 N GLY A 36 -10.205 -14.216 -3.370 1.00 0.00 N ATOM 500 CA GLY A 36 -9.623 -14.900 -4.515 1.00 0.00 C ATOM 501 C GLY A 36 -10.136 -14.322 -5.823 1.00 0.00 C ATOM 502 O GLY A 36 -11.331 -14.367 -6.112 1.00 0.00 O ATOM 0 H GLY A 36 -10.484 -14.830 -2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.537 -14.815 -4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.861 -15.963 -4.466 1.00 0.00 H new ATOM 506 N TYR A 37 -9.214 -13.783 -6.612 1.00 0.00 N ATOM 507 CA TYR A 37 -9.560 -13.203 -7.903 1.00 0.00 C ATOM 508 C TYR A 37 -9.596 -14.285 -8.969 1.00 0.00 C ATOM 509 O TYR A 37 -9.334 -15.457 -8.690 1.00 0.00 O ATOM 510 CB TYR A 37 -8.535 -12.141 -8.297 1.00 0.00 C ATOM 511 CG TYR A 37 -8.647 -10.962 -7.366 1.00 0.00 C ATOM 512 CD1 TYR A 37 -7.904 -10.933 -6.181 1.00 0.00 C ATOM 513 CD2 TYR A 37 -9.497 -9.899 -7.686 1.00 0.00 C ATOM 514 CE1 TYR A 37 -8.011 -9.840 -5.314 1.00 0.00 C ATOM 515 CE2 TYR A 37 -9.605 -8.804 -6.821 1.00 0.00 C ATOM 516 CZ TYR A 37 -8.863 -8.774 -5.634 1.00 0.00 C ATOM 517 OH TYR A 37 -8.970 -7.696 -4.780 1.00 0.00 O ATOM 0 H TYR A 37 -8.222 -13.736 -6.380 1.00 0.00 H new ATOM 0 HA TYR A 37 -10.544 -12.741 -7.821 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.529 -12.558 -8.253 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.703 -11.822 -9.326 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.248 -11.755 -5.935 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -10.070 -9.923 -8.601 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.438 -9.818 -4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.261 -7.982 -7.069 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.242 -8.008 -3.892 1.00 0.00 H new ATOM 527 N ARG A 38 -9.924 -13.885 -10.192 1.00 0.00 N ATOM 528 CA ARG A 38 -9.994 -14.826 -11.311 1.00 0.00 C ATOM 529 C ARG A 38 -9.259 -14.277 -12.522 1.00 0.00 C ATOM 530 O ARG A 38 -9.525 -13.163 -12.975 1.00 0.00 O ATOM 531 CB ARG A 38 -11.461 -15.090 -11.667 1.00 0.00 C ATOM 532 CG ARG A 38 -11.563 -15.933 -12.955 1.00 0.00 C ATOM 533 CD ARG A 38 -11.487 -15.040 -14.214 1.00 0.00 C ATOM 534 NE ARG A 38 -12.523 -15.436 -15.169 1.00 0.00 N ATOM 535 CZ ARG A 38 -13.758 -14.944 -15.096 1.00 0.00 C ATOM 536 NH1 ARG A 38 -14.061 -14.099 -14.154 1.00 0.00 N ATOM 537 NH2 ARG A 38 -14.662 -15.315 -15.963 1.00 0.00 N ATOM 0 H ARG A 38 -10.145 -12.920 -10.437 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.516 -15.760 -11.014 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.952 -15.611 -10.845 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.984 -14.143 -11.803 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.757 -16.667 -12.977 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.501 -16.489 -12.956 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.616 -13.994 -13.937 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.503 -15.128 -14.674 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.294 -16.103 -15.906 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.354 -13.816 -13.476 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.006 -13.719 -14.094 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.422 -15.982 -16.696 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.608 -14.938 -15.907 1.00 0.00 H new ATOM 551 N ILE A 39 -8.327 -15.073 -13.040 1.00 0.00 N ATOM 552 CA ILE A 39 -7.543 -14.679 -14.209 1.00 0.00 C ATOM 553 C ILE A 39 -8.106 -15.344 -15.465 1.00 0.00 C ATOM 554 O ILE A 39 -8.244 -16.566 -15.524 1.00 0.00 O ATOM 555 CB ILE A 39 -6.077 -15.088 -14.007 1.00 0.00 C ATOM 556 CG1 ILE A 39 -5.949 -16.612 -14.174 1.00 0.00 C ATOM 557 CG2 ILE A 39 -5.619 -14.669 -12.604 1.00 0.00 C ATOM 558 CD1 ILE A 39 -4.644 -17.109 -13.558 1.00 0.00 C ATOM 0 H ILE A 39 -8.096 -15.995 -12.669 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.599 -13.597 -14.331 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.448 -14.593 -14.747 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.795 -17.108 -13.698 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.981 -16.872 -15.232 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.578 -14.959 -12.459 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.713 -13.588 -12.498 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.240 -15.162 -11.856 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.570 -18.189 -13.685 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.801 -16.627 -14.053 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.628 -16.867 -12.495 1.00 0.00 H new ATOM 570 N THR A 40 -8.454 -14.529 -16.453 1.00 0.00 N ATOM 571 CA THR A 40 -9.025 -15.038 -17.702 1.00 0.00 C ATOM 572 C THR A 40 -8.027 -14.895 -18.846 1.00 0.00 C ATOM 573 O THR A 40 -7.417 -13.840 -19.022 1.00 0.00 O ATOM 574 CB THR A 40 -10.302 -14.262 -18.045 1.00 0.00 C ATOM 575 OG1 THR A 40 -11.180 -14.270 -16.926 1.00 0.00 O ATOM 576 CG2 THR A 40 -10.994 -14.924 -19.237 1.00 0.00 C ATOM 0 H THR A 40 -8.353 -13.515 -16.418 1.00 0.00 H new ATOM 0 HA THR A 40 -9.261 -16.094 -17.567 1.00 0.00 H new ATOM 0 HB THR A 40 -10.044 -13.233 -18.296 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.995 -13.772 -17.146 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.902 -14.373 -19.482 1.00 0.00 H new ATOM 0 HG22 THR A 40 -10.323 -14.919 -20.096 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.251 -15.953 -18.984 1.00 0.00 H new ATOM 584 N VAL A 41 -7.866 -15.967 -19.623 1.00 0.00 N ATOM 585 CA VAL A 41 -6.942 -15.968 -20.760 1.00 0.00 C ATOM 586 C VAL A 41 -7.640 -16.497 -22.008 1.00 0.00 C ATOM 587 O VAL A 41 -8.394 -17.469 -21.946 1.00 0.00 O ATOM 588 CB VAL A 41 -5.716 -16.826 -20.429 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.172 -18.153 -19.818 1.00 0.00 C ATOM 590 CG2 VAL A 41 -4.910 -17.098 -21.708 1.00 0.00 C ATOM 0 H VAL A 41 -8.364 -16.847 -19.486 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.617 -14.946 -20.956 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.086 -16.294 -19.716 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.300 -18.764 -19.582 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.736 -17.959 -18.906 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.805 -18.683 -20.530 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.040 -17.708 -21.467 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.536 -17.627 -22.427 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.582 -16.152 -22.139 1.00 0.00 H new ATOM 600 N VAL A 42 -7.386 -15.851 -23.152 1.00 0.00 N ATOM 601 CA VAL A 42 -7.996 -16.266 -24.412 1.00 0.00 C ATOM 602 C VAL A 42 -6.934 -16.355 -25.493 1.00 0.00 C ATOM 603 O VAL A 42 -6.139 -15.435 -25.677 1.00 0.00 O ATOM 604 CB VAL A 42 -9.076 -15.250 -24.821 1.00 0.00 C ATOM 605 CG1 VAL A 42 -9.468 -15.445 -26.292 1.00 0.00 C ATOM 606 CG2 VAL A 42 -10.313 -15.445 -23.938 1.00 0.00 C ATOM 0 H VAL A 42 -6.766 -15.045 -23.227 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.455 -17.246 -24.285 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.679 -14.243 -24.693 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.233 -14.718 -26.564 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.591 -15.303 -26.924 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.858 -16.453 -26.434 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.081 -14.727 -24.224 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.696 -16.457 -24.067 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.043 -15.290 -22.894 1.00 0.00 H new ATOM 616 N ALA A 43 -6.930 -17.472 -26.206 1.00 0.00 N ATOM 617 CA ALA A 43 -5.973 -17.688 -27.277 1.00 0.00 C ATOM 618 C ALA A 43 -6.614 -17.317 -28.608 1.00 0.00 C ATOM 619 O ALA A 43 -7.764 -17.671 -28.866 1.00 0.00 O ATOM 620 CB ALA A 43 -5.570 -19.158 -27.292 1.00 0.00 C ATOM 0 H ALA A 43 -7.581 -18.243 -26.060 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.090 -17.069 -27.119 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.851 -19.330 -28.093 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.117 -19.421 -26.336 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.453 -19.776 -27.458 1.00 0.00 H new ATOM 626 N ALA A 44 -5.875 -16.601 -29.453 1.00 0.00 N ATOM 627 CA ALA A 44 -6.408 -16.200 -30.756 1.00 0.00 C ATOM 628 C ALA A 44 -6.045 -17.225 -31.831 1.00 0.00 C ATOM 629 O ALA A 44 -6.897 -17.644 -32.615 1.00 0.00 O ATOM 630 CB ALA A 44 -5.866 -14.821 -31.139 1.00 0.00 C ATOM 0 H ALA A 44 -4.922 -16.290 -29.265 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.495 -16.151 -30.684 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.267 -14.529 -32.110 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.166 -14.091 -30.388 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.778 -14.860 -31.193 1.00 0.00 H new ATOM 636 N GLY A 45 -4.774 -17.624 -31.855 1.00 0.00 N ATOM 637 CA GLY A 45 -4.297 -18.602 -32.835 1.00 0.00 C ATOM 638 C GLY A 45 -5.010 -19.936 -32.662 1.00 0.00 C ATOM 639 O GLY A 45 -5.180 -20.695 -33.617 1.00 0.00 O ATOM 0 H GLY A 45 -4.058 -17.288 -31.211 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.464 -18.224 -33.843 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.222 -18.742 -32.721 1.00 0.00 H new ATOM 643 N GLU A 46 -5.411 -20.221 -31.429 1.00 0.00 N ATOM 644 CA GLU A 46 -6.096 -21.468 -31.125 1.00 0.00 C ATOM 645 C GLU A 46 -7.597 -21.240 -31.149 1.00 0.00 C ATOM 646 O GLU A 46 -8.109 -20.293 -30.553 1.00 0.00 O ATOM 647 CB GLU A 46 -5.675 -21.984 -29.747 1.00 0.00 C ATOM 648 CG GLU A 46 -4.154 -22.145 -29.703 1.00 0.00 C ATOM 649 CD GLU A 46 -3.731 -22.729 -28.359 1.00 0.00 C ATOM 650 OE1 GLU A 46 -4.604 -22.989 -27.548 1.00 0.00 O ATOM 651 OE2 GLU A 46 -2.540 -22.907 -28.161 1.00 0.00 O ATOM 0 H GLU A 46 -5.273 -19.606 -30.627 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.827 -22.212 -31.875 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.000 -21.289 -28.972 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.158 -22.939 -29.542 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.825 -22.797 -30.512 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.673 -21.179 -29.857 1.00 0.00 H new ATOM 658 N GLY A 47 -8.289 -22.107 -31.867 1.00 0.00 N ATOM 659 CA GLY A 47 -9.731 -21.993 -31.995 1.00 0.00 C ATOM 660 C GLY A 47 -10.404 -22.037 -30.624 1.00 0.00 C ATOM 661 O GLY A 47 -11.536 -21.572 -30.468 1.00 0.00 O ATOM 0 H GLY A 47 -7.878 -22.894 -32.368 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.983 -21.060 -32.499 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.110 -22.804 -32.617 1.00 0.00 H new ATOM 665 N ILE A 48 -9.700 -22.592 -29.623 1.00 0.00 N ATOM 666 CA ILE A 48 -10.244 -22.683 -28.258 1.00 0.00 C ATOM 667 C ILE A 48 -9.355 -21.909 -27.270 1.00 0.00 C ATOM 668 O ILE A 48 -8.130 -22.030 -27.312 1.00 0.00 O ATOM 669 CB ILE A 48 -10.377 -24.179 -27.828 1.00 0.00 C ATOM 670 CG1 ILE A 48 -11.850 -24.592 -27.892 1.00 0.00 C ATOM 671 CG2 ILE A 48 -9.884 -24.414 -26.386 1.00 0.00 C ATOM 672 CD1 ILE A 48 -11.969 -26.114 -27.768 1.00 0.00 C ATOM 0 H ILE A 48 -8.763 -22.980 -29.731 1.00 0.00 H new ATOM 0 HA ILE A 48 -11.236 -22.231 -28.247 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.763 -24.769 -28.509 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -12.408 -24.108 -27.090 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -12.290 -24.259 -28.832 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.995 -25.468 -26.131 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.834 -24.131 -26.310 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.474 -23.809 -25.697 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -13.019 -26.402 -27.814 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -11.426 -26.589 -28.585 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -11.546 -26.436 -26.816 1.00 0.00 H new ATOM 684 N PRO A 49 -9.945 -21.146 -26.368 1.00 0.00 N ATOM 685 CA PRO A 49 -9.179 -20.388 -25.339 1.00 0.00 C ATOM 686 C PRO A 49 -8.722 -21.298 -24.201 1.00 0.00 C ATOM 687 O PRO A 49 -9.190 -22.431 -24.083 1.00 0.00 O ATOM 688 CB PRO A 49 -10.186 -19.349 -24.832 1.00 0.00 C ATOM 689 CG PRO A 49 -11.520 -20.003 -24.999 1.00 0.00 C ATOM 690 CD PRO A 49 -11.399 -20.913 -26.228 1.00 0.00 C ATOM 0 HA PRO A 49 -8.269 -19.942 -25.741 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.999 -19.091 -23.790 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.124 -18.424 -25.405 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.785 -20.579 -24.112 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.303 -19.259 -25.141 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.940 -21.848 -26.085 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.813 -20.438 -27.117 1.00 0.00 H new ATOM 698 N ILE A 50 -7.819 -20.795 -23.361 1.00 0.00 N ATOM 699 CA ILE A 50 -7.323 -21.569 -22.222 1.00 0.00 C ATOM 700 C ILE A 50 -8.250 -21.395 -21.021 1.00 0.00 C ATOM 701 O ILE A 50 -8.762 -20.303 -20.772 1.00 0.00 O ATOM 702 CB ILE A 50 -5.899 -21.130 -21.848 1.00 0.00 C ATOM 703 CG1 ILE A 50 -4.918 -21.551 -22.947 1.00 0.00 C ATOM 704 CG2 ILE A 50 -5.485 -21.767 -20.513 1.00 0.00 C ATOM 705 CD1 ILE A 50 -3.549 -20.916 -22.686 1.00 0.00 C ATOM 0 H ILE A 50 -7.417 -19.861 -23.446 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.301 -22.621 -22.507 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.880 -20.045 -21.746 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.828 -22.637 -22.971 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.294 -21.241 -23.922 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.474 -21.450 -20.256 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.174 -21.451 -19.730 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.512 -22.853 -20.604 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.853 -21.217 -23.469 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.646 -19.830 -22.684 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.172 -21.248 -21.719 1.00 0.00 H new ATOM 717 N PHE A 51 -8.457 -22.478 -20.277 1.00 0.00 N ATOM 718 CA PHE A 51 -9.322 -22.433 -19.106 1.00 0.00 C ATOM 719 C PHE A 51 -8.786 -21.441 -18.080 1.00 0.00 C ATOM 720 O PHE A 51 -7.580 -21.371 -17.839 1.00 0.00 O ATOM 721 CB PHE A 51 -9.409 -23.818 -18.464 1.00 0.00 C ATOM 722 CG PHE A 51 -10.024 -24.795 -19.441 1.00 0.00 C ATOM 723 CD1 PHE A 51 -11.378 -24.690 -19.776 1.00 0.00 C ATOM 724 CD2 PHE A 51 -9.239 -25.806 -20.010 1.00 0.00 C ATOM 725 CE1 PHE A 51 -11.950 -25.595 -20.680 1.00 0.00 C ATOM 726 CE2 PHE A 51 -9.809 -26.711 -20.913 1.00 0.00 C ATOM 727 CZ PHE A 51 -11.165 -26.606 -21.250 1.00 0.00 C ATOM 0 H PHE A 51 -8.040 -23.390 -20.463 1.00 0.00 H new ATOM 0 HA PHE A 51 -10.313 -22.114 -19.428 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.415 -24.157 -18.172 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.009 -23.771 -17.555 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -11.983 -23.910 -19.337 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -8.193 -25.887 -19.752 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -12.996 -25.513 -20.937 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.203 -27.491 -21.350 1.00 0.00 H new ATOM 0 HZ PHE A 51 -11.604 -27.303 -21.948 1.00 0.00 H new ATOM 737 N GLU A 52 -9.698 -20.685 -17.480 1.00 0.00 N ATOM 738 CA GLU A 52 -9.337 -19.694 -16.473 1.00 0.00 C ATOM 739 C GLU A 52 -8.864 -20.377 -15.202 1.00 0.00 C ATOM 740 O GLU A 52 -8.816 -21.604 -15.119 1.00 0.00 O ATOM 741 CB GLU A 52 -10.549 -18.790 -16.176 1.00 0.00 C ATOM 742 CG GLU A 52 -11.479 -19.457 -15.144 1.00 0.00 C ATOM 743 CD GLU A 52 -12.897 -18.900 -15.258 1.00 0.00 C ATOM 744 OE1 GLU A 52 -13.031 -17.735 -15.595 1.00 0.00 O ATOM 745 OE2 GLU A 52 -13.828 -19.645 -15.005 1.00 0.00 O ATOM 0 H GLU A 52 -10.698 -20.740 -17.675 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.521 -19.081 -16.856 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.208 -17.827 -15.798 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.099 -18.594 -17.097 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.492 -20.535 -15.302 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.096 -19.287 -14.138 1.00 0.00 H new ATOM 752 N ASP A 53 -8.535 -19.569 -14.203 1.00 0.00 N ATOM 753 CA ASP A 53 -8.082 -20.105 -12.934 1.00 0.00 C ATOM 754 C ASP A 53 -8.386 -19.133 -11.797 1.00 0.00 C ATOM 755 O ASP A 53 -8.397 -17.918 -11.992 1.00 0.00 O ATOM 756 CB ASP A 53 -6.578 -20.387 -13.004 1.00 0.00 C ATOM 757 CG ASP A 53 -6.204 -21.491 -12.017 1.00 0.00 C ATOM 758 OD1 ASP A 53 -6.257 -21.235 -10.827 1.00 0.00 O ATOM 759 OD2 ASP A 53 -5.875 -22.577 -12.469 1.00 0.00 O ATOM 0 H ASP A 53 -8.574 -18.551 -14.249 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.614 -21.035 -12.735 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.303 -20.685 -14.016 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.019 -19.480 -12.775 1.00 0.00 H new ATOM 764 N PHE A 54 -8.638 -19.680 -10.607 1.00 0.00 N ATOM 765 CA PHE A 54 -8.946 -18.864 -9.431 1.00 0.00 C ATOM 766 C PHE A 54 -7.861 -19.036 -8.374 1.00 0.00 C ATOM 767 O PHE A 54 -7.557 -20.155 -7.963 1.00 0.00 O ATOM 768 CB PHE A 54 -10.295 -19.290 -8.844 1.00 0.00 C ATOM 769 CG PHE A 54 -11.369 -19.137 -9.892 1.00 0.00 C ATOM 770 CD1 PHE A 54 -11.514 -20.115 -10.882 1.00 0.00 C ATOM 771 CD2 PHE A 54 -12.213 -18.022 -9.883 1.00 0.00 C ATOM 772 CE1 PHE A 54 -12.502 -19.978 -11.862 1.00 0.00 C ATOM 773 CE2 PHE A 54 -13.203 -17.884 -10.865 1.00 0.00 C ATOM 774 CZ PHE A 54 -13.348 -18.863 -11.854 1.00 0.00 C ATOM 0 H PHE A 54 -8.635 -20.685 -10.432 1.00 0.00 H new ATOM 0 HA PHE A 54 -8.992 -17.818 -9.733 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.246 -20.325 -8.506 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.533 -18.681 -7.972 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -10.862 -20.976 -10.889 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.102 -17.267 -9.119 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.612 -20.733 -12.626 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.854 -17.022 -10.858 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.112 -18.758 -12.610 1.00 0.00 H new ATOM 784 N VAL A 55 -7.278 -17.922 -7.935 1.00 0.00 N ATOM 785 CA VAL A 55 -6.221 -17.956 -6.920 1.00 0.00 C ATOM 786 C VAL A 55 -6.584 -17.049 -5.752 1.00 0.00 C ATOM 787 O VAL A 55 -7.028 -15.919 -5.947 1.00 0.00 O ATOM 788 CB VAL A 55 -4.895 -17.497 -7.537 1.00 0.00 C ATOM 789 CG1 VAL A 55 -4.953 -15.997 -7.839 1.00 0.00 C ATOM 790 CG2 VAL A 55 -3.749 -17.766 -6.556 1.00 0.00 C ATOM 0 H VAL A 55 -7.517 -16.986 -8.264 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.116 -18.978 -6.555 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.725 -18.049 -8.462 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.008 -15.677 -8.277 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.764 -15.798 -8.540 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.129 -15.446 -6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.808 -17.439 -6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.926 -17.218 -5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.697 -18.833 -6.341 1.00 0.00 H new ATOM 800 N ASP A 56 -6.399 -17.553 -4.538 1.00 0.00 N ATOM 801 CA ASP A 56 -6.719 -16.778 -3.349 1.00 0.00 C ATOM 802 C ASP A 56 -6.017 -15.421 -3.395 1.00 0.00 C ATOM 803 O ASP A 56 -4.866 -15.320 -3.817 1.00 0.00 O ATOM 804 CB ASP A 56 -6.277 -17.544 -2.102 1.00 0.00 C ATOM 805 CG ASP A 56 -7.190 -18.747 -1.875 1.00 0.00 C ATOM 806 OD1 ASP A 56 -8.250 -18.784 -2.478 1.00 0.00 O ATOM 807 OD2 ASP A 56 -6.815 -19.612 -1.099 1.00 0.00 O ATOM 0 H ASP A 56 -6.032 -18.487 -4.353 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.796 -16.616 -3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.245 -17.877 -2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.305 -16.887 -1.233 1.00 0.00 H new ATOM 812 N SER A 57 -6.726 -14.383 -2.962 1.00 0.00 N ATOM 813 CA SER A 57 -6.174 -13.031 -2.958 1.00 0.00 C ATOM 814 C SER A 57 -4.931 -12.962 -2.076 1.00 0.00 C ATOM 815 O SER A 57 -3.992 -12.221 -2.362 1.00 0.00 O ATOM 816 CB SER A 57 -7.217 -12.037 -2.446 1.00 0.00 C ATOM 817 OG SER A 57 -6.571 -10.818 -2.107 1.00 0.00 O ATOM 0 H SER A 57 -7.681 -14.451 -2.610 1.00 0.00 H new ATOM 0 HA SER A 57 -5.898 -12.772 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.975 -11.861 -3.209 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.730 -12.445 -1.575 1.00 0.00 H new ATOM 0 HG SER A 57 -6.127 -10.452 -2.900 1.00 0.00 H new ATOM 823 N SER A 58 -4.935 -13.740 -1.000 1.00 0.00 N ATOM 824 CA SER A 58 -3.810 -13.761 -0.075 1.00 0.00 C ATOM 825 C SER A 58 -2.514 -14.080 -0.815 1.00 0.00 C ATOM 826 O SER A 58 -1.448 -13.577 -0.464 1.00 0.00 O ATOM 827 CB SER A 58 -4.050 -14.809 1.014 1.00 0.00 C ATOM 828 OG SER A 58 -5.269 -14.518 1.684 1.00 0.00 O ATOM 0 H SER A 58 -5.703 -14.363 -0.748 1.00 0.00 H new ATOM 0 HA SER A 58 -3.720 -12.776 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.092 -15.805 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.223 -14.809 1.724 1.00 0.00 H new ATOM 0 HG SER A 58 -5.427 -15.188 2.381 1.00 0.00 H new ATOM 834 N VAL A 59 -2.615 -14.921 -1.839 1.00 0.00 N ATOM 835 CA VAL A 59 -1.441 -15.299 -2.616 1.00 0.00 C ATOM 836 C VAL A 59 -0.833 -14.077 -3.298 1.00 0.00 C ATOM 837 O VAL A 59 0.379 -13.869 -3.249 1.00 0.00 O ATOM 838 CB VAL A 59 -1.820 -16.347 -3.668 1.00 0.00 C ATOM 839 CG1 VAL A 59 -0.590 -16.712 -4.505 1.00 0.00 C ATOM 840 CG2 VAL A 59 -2.351 -17.603 -2.969 1.00 0.00 C ATOM 0 H VAL A 59 -3.488 -15.350 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.702 -15.724 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.591 -15.937 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.866 -17.457 -5.251 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.213 -15.820 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.185 -17.119 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.621 -18.349 -3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.580 -18.008 -2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.231 -17.346 -2.379 1.00 0.00 H new ATOM 850 N GLY A 60 -1.677 -13.262 -3.926 1.00 0.00 N ATOM 851 CA GLY A 60 -1.199 -12.060 -4.604 1.00 0.00 C ATOM 852 C GLY A 60 -0.227 -12.426 -5.723 1.00 0.00 C ATOM 853 O GLY A 60 0.635 -11.630 -6.095 1.00 0.00 O ATOM 0 H GLY A 60 -2.685 -13.409 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.044 -11.507 -5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.706 -11.403 -3.887 1.00 0.00 H new ATOM 857 N TYR A 61 -0.378 -13.633 -6.256 1.00 0.00 N ATOM 858 CA TYR A 61 0.501 -14.096 -7.326 1.00 0.00 C ATOM 859 C TYR A 61 -0.049 -15.363 -7.980 1.00 0.00 C ATOM 860 O TYR A 61 -0.742 -16.157 -7.345 1.00 0.00 O ATOM 861 CB TYR A 61 1.899 -14.369 -6.757 1.00 0.00 C ATOM 862 CG TYR A 61 2.741 -15.102 -7.778 1.00 0.00 C ATOM 863 CD1 TYR A 61 3.448 -14.390 -8.755 1.00 0.00 C ATOM 864 CD2 TYR A 61 2.809 -16.500 -7.745 1.00 0.00 C ATOM 865 CE1 TYR A 61 4.222 -15.078 -9.699 1.00 0.00 C ATOM 866 CE2 TYR A 61 3.582 -17.187 -8.686 1.00 0.00 C ATOM 867 CZ TYR A 61 4.288 -16.477 -9.663 1.00 0.00 C ATOM 868 OH TYR A 61 5.050 -17.157 -10.591 1.00 0.00 O ATOM 0 H TYR A 61 -1.092 -14.303 -5.970 1.00 0.00 H new ATOM 0 HA TYR A 61 0.558 -13.318 -8.088 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.379 -13.429 -6.485 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.820 -14.962 -5.846 1.00 0.00 H new ATOM 0 HD1 TYR A 61 3.397 -13.312 -8.781 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.263 -17.049 -6.991 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.767 -14.530 -10.454 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.634 -18.265 -8.659 1.00 0.00 H new ATOM 0 HH TYR A 61 4.510 -17.863 -11.003 1.00 0.00 H new ATOM 878 N TYR A 62 0.289 -15.549 -9.254 1.00 0.00 N ATOM 879 CA TYR A 62 -0.148 -16.733 -9.984 1.00 0.00 C ATOM 880 C TYR A 62 0.746 -16.965 -11.200 1.00 0.00 C ATOM 881 O TYR A 62 1.456 -16.062 -11.647 1.00 0.00 O ATOM 882 CB TYR A 62 -1.603 -16.581 -10.436 1.00 0.00 C ATOM 883 CG TYR A 62 -2.153 -17.941 -10.805 1.00 0.00 C ATOM 884 CD1 TYR A 62 -2.507 -18.850 -9.800 1.00 0.00 C ATOM 885 CD2 TYR A 62 -2.293 -18.296 -12.146 1.00 0.00 C ATOM 886 CE1 TYR A 62 -3.002 -20.113 -10.140 1.00 0.00 C ATOM 887 CE2 TYR A 62 -2.783 -19.562 -12.490 1.00 0.00 C ATOM 888 CZ TYR A 62 -3.140 -20.470 -11.487 1.00 0.00 C ATOM 889 OH TYR A 62 -3.617 -21.719 -11.825 1.00 0.00 O ATOM 0 H TYR A 62 0.859 -14.900 -9.797 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.074 -17.591 -9.316 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.200 -16.138 -9.639 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.663 -15.907 -11.291 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.398 -18.575 -8.761 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.023 -17.594 -12.921 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.278 -20.812 -9.364 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.885 -19.837 -13.529 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.958 -21.701 -12.743 1.00 0.00 H new ATOM 899 N THR A 63 0.706 -18.185 -11.738 1.00 0.00 N ATOM 900 CA THR A 63 1.510 -18.540 -12.908 1.00 0.00 C ATOM 901 C THR A 63 0.628 -19.144 -13.991 1.00 0.00 C ATOM 902 O THR A 63 -0.202 -20.012 -13.721 1.00 0.00 O ATOM 903 CB THR A 63 2.596 -19.543 -12.515 1.00 0.00 C ATOM 904 OG1 THR A 63 3.454 -18.954 -11.549 1.00 0.00 O ATOM 905 CG2 THR A 63 3.406 -19.929 -13.759 1.00 0.00 C ATOM 0 H THR A 63 0.125 -18.944 -11.382 1.00 0.00 H new ATOM 0 HA THR A 63 1.979 -17.634 -13.293 1.00 0.00 H new ATOM 0 HB THR A 63 2.135 -20.436 -12.092 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.150 -19.596 -11.295 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.181 -20.644 -13.481 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.744 -20.380 -14.499 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.869 -19.038 -14.182 1.00 0.00 H new ATOM 913 N VAL A 64 0.831 -18.695 -15.229 1.00 0.00 N ATOM 914 CA VAL A 64 0.073 -19.204 -16.370 1.00 0.00 C ATOM 915 C VAL A 64 1.039 -19.578 -17.501 1.00 0.00 C ATOM 916 O VAL A 64 1.699 -18.710 -18.079 1.00 0.00 O ATOM 917 CB VAL A 64 -0.931 -18.135 -16.852 1.00 0.00 C ATOM 918 CG1 VAL A 64 -2.295 -18.345 -16.177 1.00 0.00 C ATOM 919 CG2 VAL A 64 -0.406 -16.741 -16.492 1.00 0.00 C ATOM 0 H VAL A 64 1.516 -17.978 -15.467 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.482 -20.093 -16.070 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.046 -18.223 -17.932 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.994 -17.585 -16.525 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.678 -19.334 -16.430 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.182 -18.266 -15.096 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.115 -15.986 -16.832 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.286 -16.665 -15.411 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.557 -16.579 -16.976 1.00 0.00 H new ATOM 929 N THR A 65 1.117 -20.874 -17.812 1.00 0.00 N ATOM 930 CA THR A 65 2.009 -21.362 -18.870 1.00 0.00 C ATOM 931 C THR A 65 1.218 -22.123 -19.921 1.00 0.00 C ATOM 932 O THR A 65 0.123 -22.615 -19.654 1.00 0.00 O ATOM 933 CB THR A 65 3.067 -22.302 -18.279 1.00 0.00 C ATOM 934 OG1 THR A 65 2.536 -23.618 -18.202 1.00 0.00 O ATOM 935 CG2 THR A 65 3.458 -21.833 -16.879 1.00 0.00 C ATOM 0 H THR A 65 0.576 -21.604 -17.349 1.00 0.00 H new ATOM 0 HA THR A 65 2.493 -20.500 -19.328 1.00 0.00 H new ATOM 0 HB THR A 65 3.949 -22.295 -18.919 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.211 -24.221 -17.826 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.210 -22.506 -16.467 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.866 -20.824 -16.934 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.578 -21.834 -16.236 1.00 0.00 H new ATOM 943 N GLY A 66 1.780 -22.209 -21.123 1.00 0.00 N ATOM 944 CA GLY A 66 1.124 -22.906 -22.221 1.00 0.00 C ATOM 945 C GLY A 66 0.603 -21.913 -23.252 1.00 0.00 C ATOM 946 O GLY A 66 -0.497 -22.070 -23.781 1.00 0.00 O ATOM 0 H GLY A 66 2.686 -21.805 -21.360 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.826 -23.594 -22.693 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.299 -23.506 -21.837 1.00 0.00 H new ATOM 950 N LEU A 67 1.400 -20.880 -23.532 1.00 0.00 N ATOM 951 CA LEU A 67 1.014 -19.854 -24.504 1.00 0.00 C ATOM 952 C LEU A 67 1.993 -19.868 -25.676 1.00 0.00 C ATOM 953 O LEU A 67 3.160 -19.516 -25.520 1.00 0.00 O ATOM 954 CB LEU A 67 1.026 -18.465 -23.840 1.00 0.00 C ATOM 955 CG LEU A 67 0.748 -18.583 -22.338 1.00 0.00 C ATOM 956 CD1 LEU A 67 0.963 -17.217 -21.686 1.00 0.00 C ATOM 957 CD2 LEU A 67 -0.694 -19.046 -22.094 1.00 0.00 C ATOM 0 H LEU A 67 2.313 -20.731 -23.102 1.00 0.00 H new ATOM 0 HA LEU A 67 0.008 -20.067 -24.865 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.993 -17.988 -24.000 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.275 -17.827 -24.305 1.00 0.00 H new ATOM 0 HG LEU A 67 1.427 -19.317 -21.904 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.768 -17.290 -20.616 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.992 -16.895 -21.846 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.283 -16.491 -22.130 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.874 -19.125 -21.022 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.386 -18.324 -22.527 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.847 -20.019 -22.560 1.00 0.00 H new ATOM 969 N GLU A 68 1.523 -20.295 -26.835 1.00 0.00 N ATOM 970 CA GLU A 68 2.388 -20.378 -28.010 1.00 0.00 C ATOM 971 C GLU A 68 3.177 -19.077 -28.213 1.00 0.00 C ATOM 972 O GLU A 68 2.640 -17.986 -28.005 1.00 0.00 O ATOM 973 CB GLU A 68 1.550 -20.668 -29.260 1.00 0.00 C ATOM 974 CG GLU A 68 0.862 -22.029 -29.132 1.00 0.00 C ATOM 975 CD GLU A 68 1.861 -23.144 -29.401 1.00 0.00 C ATOM 976 OE1 GLU A 68 2.281 -23.267 -30.540 1.00 0.00 O ATOM 977 OE2 GLU A 68 2.197 -23.854 -28.469 1.00 0.00 O ATOM 0 H GLU A 68 0.559 -20.588 -26.992 1.00 0.00 H new ATOM 0 HA GLU A 68 3.097 -21.190 -27.847 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.803 -19.886 -29.395 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.187 -20.656 -30.144 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.441 -22.140 -28.133 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.033 -22.094 -29.837 1.00 0.00 H new ATOM 984 N PRO A 69 4.432 -19.162 -28.619 1.00 0.00 N ATOM 985 CA PRO A 69 5.280 -17.959 -28.856 1.00 0.00 C ATOM 986 C PRO A 69 4.918 -17.235 -30.141 1.00 0.00 C ATOM 987 O PRO A 69 4.338 -17.814 -31.060 1.00 0.00 O ATOM 988 CB PRO A 69 6.701 -18.521 -28.911 1.00 0.00 C ATOM 989 CG PRO A 69 6.528 -19.894 -29.467 1.00 0.00 C ATOM 990 CD PRO A 69 5.190 -20.400 -28.903 1.00 0.00 C ATOM 0 HA PRO A 69 5.148 -17.208 -28.077 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.346 -17.913 -29.545 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.158 -18.546 -27.922 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.513 -19.877 -30.557 1.00 0.00 H new ATOM 0 HG3 PRO A 69 7.350 -20.544 -29.169 1.00 0.00 H new ATOM 0 HD2 PRO A 69 4.668 -21.032 -29.621 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.336 -20.995 -28.001 1.00 0.00 H new ATOM 998 N GLY A 70 5.293 -15.966 -30.189 1.00 0.00 N ATOM 999 CA GLY A 70 5.035 -15.140 -31.354 1.00 0.00 C ATOM 1000 C GLY A 70 3.580 -15.264 -31.808 1.00 0.00 C ATOM 1001 O GLY A 70 3.272 -15.095 -32.989 1.00 0.00 O ATOM 0 H GLY A 70 5.778 -15.486 -29.431 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.259 -14.099 -31.122 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.699 -15.435 -32.167 1.00 0.00 H new ATOM 1005 N ILE A 71 2.691 -15.571 -30.860 1.00 0.00 N ATOM 1006 CA ILE A 71 1.261 -15.731 -31.154 1.00 0.00 C ATOM 1007 C ILE A 71 0.467 -14.629 -30.460 1.00 0.00 C ATOM 1008 O ILE A 71 0.983 -13.921 -29.595 1.00 0.00 O ATOM 1009 CB ILE A 71 0.805 -17.149 -30.697 1.00 0.00 C ATOM 1010 CG1 ILE A 71 0.169 -17.933 -31.857 1.00 0.00 C ATOM 1011 CG2 ILE A 71 -0.233 -17.069 -29.581 1.00 0.00 C ATOM 1012 CD1 ILE A 71 1.248 -18.437 -32.810 1.00 0.00 C ATOM 0 H ILE A 71 2.935 -15.714 -29.880 1.00 0.00 H new ATOM 0 HA ILE A 71 1.080 -15.642 -32.225 1.00 0.00 H new ATOM 0 HB ILE A 71 1.702 -17.656 -30.343 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.402 -18.775 -31.466 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.532 -17.295 -32.395 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.529 -18.076 -29.286 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.195 -16.551 -28.723 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.107 -16.523 -29.936 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.783 -18.990 -33.626 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.801 -17.589 -33.215 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.932 -19.092 -32.271 1.00 0.00 H new ATOM 1024 N ASP A 72 -0.790 -14.486 -30.864 1.00 0.00 N ATOM 1025 CA ASP A 72 -1.655 -13.465 -30.316 1.00 0.00 C ATOM 1026 C ASP A 72 -2.607 -14.041 -29.283 1.00 0.00 C ATOM 1027 O ASP A 72 -3.621 -14.634 -29.631 1.00 0.00 O ATOM 1028 CB ASP A 72 -2.448 -12.838 -31.464 1.00 0.00 C ATOM 1029 CG ASP A 72 -3.511 -11.885 -30.925 1.00 0.00 C ATOM 1030 OD1 ASP A 72 -4.376 -12.346 -30.200 1.00 0.00 O ATOM 1031 OD2 ASP A 72 -3.443 -10.708 -31.244 1.00 0.00 O ATOM 0 H ASP A 72 -1.229 -15.072 -31.574 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.045 -12.712 -29.816 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.772 -12.299 -32.128 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.921 -13.621 -32.057 1.00 0.00 H new ATOM 1036 N TYR A 73 -2.279 -13.861 -28.010 1.00 0.00 N ATOM 1037 CA TYR A 73 -3.124 -14.353 -26.918 1.00 0.00 C ATOM 1038 C TYR A 73 -3.763 -13.190 -26.180 1.00 0.00 C ATOM 1039 O TYR A 73 -3.089 -12.281 -25.724 1.00 0.00 O ATOM 1040 CB TYR A 73 -2.275 -15.197 -25.940 1.00 0.00 C ATOM 1041 CG TYR A 73 -2.341 -16.683 -26.275 1.00 0.00 C ATOM 1042 CD1 TYR A 73 -2.504 -17.123 -27.598 1.00 0.00 C ATOM 1043 CD2 TYR A 73 -2.229 -17.624 -25.243 1.00 0.00 C ATOM 1044 CE1 TYR A 73 -2.552 -18.491 -27.882 1.00 0.00 C ATOM 1045 CE2 TYR A 73 -2.283 -18.991 -25.533 1.00 0.00 C ATOM 1046 CZ TYR A 73 -2.442 -19.427 -26.849 1.00 0.00 C ATOM 1047 OH TYR A 73 -2.483 -20.781 -27.126 1.00 0.00 O ATOM 0 H TYR A 73 -1.434 -13.378 -27.703 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.914 -14.976 -27.337 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.238 -14.862 -25.975 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.627 -15.038 -24.921 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.593 -16.403 -28.398 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.101 -17.293 -24.223 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.674 -18.826 -28.902 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.201 -19.713 -24.734 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.950 -20.967 -27.927 1.00 0.00 H new ATOM 1057 N ASP A 74 -5.084 -13.237 -26.103 1.00 0.00 N ATOM 1058 CA ASP A 74 -5.860 -12.207 -25.435 1.00 0.00 C ATOM 1059 C ASP A 74 -6.015 -12.563 -23.960 1.00 0.00 C ATOM 1060 O ASP A 74 -6.619 -13.577 -23.620 1.00 0.00 O ATOM 1061 CB ASP A 74 -7.232 -12.098 -26.113 1.00 0.00 C ATOM 1062 CG ASP A 74 -7.151 -11.174 -27.329 1.00 0.00 C ATOM 1063 OD1 ASP A 74 -6.043 -10.846 -27.723 1.00 0.00 O ATOM 1064 OD2 ASP A 74 -8.194 -10.801 -27.838 1.00 0.00 O ATOM 0 H ASP A 74 -5.646 -13.989 -26.501 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.351 -11.246 -25.507 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.573 -13.087 -26.421 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.966 -11.714 -25.404 1.00 0.00 H new ATOM 1069 N ILE A 75 -5.452 -11.728 -23.089 1.00 0.00 N ATOM 1070 CA ILE A 75 -5.520 -11.968 -21.647 1.00 0.00 C ATOM 1071 C ILE A 75 -6.305 -10.854 -20.968 1.00 0.00 C ATOM 1072 O ILE A 75 -6.487 -9.772 -21.524 1.00 0.00 O ATOM 1073 CB ILE A 75 -4.099 -12.080 -21.049 1.00 0.00 C ATOM 1074 CG1 ILE A 75 -3.108 -11.283 -21.913 1.00 0.00 C ATOM 1075 CG2 ILE A 75 -3.661 -13.555 -20.983 1.00 0.00 C ATOM 1076 CD1 ILE A 75 -2.603 -12.139 -23.079 1.00 0.00 C ATOM 0 H ILE A 75 -4.946 -10.883 -23.354 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.036 -12.912 -21.472 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.110 -11.671 -20.039 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.592 -10.385 -22.297 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.266 -10.956 -21.303 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.658 -13.618 -20.560 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.356 -14.113 -20.355 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.658 -13.979 -21.987 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.903 -11.559 -23.680 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.100 -13.024 -22.689 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.446 -12.444 -23.698 1.00 0.00 H new ATOM 1088 N SER A 76 -6.750 -11.136 -19.750 1.00 0.00 N ATOM 1089 CA SER A 76 -7.507 -10.160 -18.978 1.00 0.00 C ATOM 1090 C SER A 76 -7.356 -10.418 -17.487 1.00 0.00 C ATOM 1091 O SER A 76 -7.188 -11.558 -17.055 1.00 0.00 O ATOM 1092 CB SER A 76 -8.983 -10.222 -19.373 1.00 0.00 C ATOM 1093 OG SER A 76 -9.082 -10.349 -20.787 1.00 0.00 O ATOM 0 H SER A 76 -6.601 -12.028 -19.278 1.00 0.00 H new ATOM 0 HA SER A 76 -7.116 -9.166 -19.195 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.468 -11.067 -18.885 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.500 -9.322 -19.039 1.00 0.00 H new ATOM 0 HG SER A 76 -10.026 -10.391 -21.046 1.00 0.00 H new ATOM 1099 N VAL A 77 -7.450 -9.348 -16.701 1.00 0.00 N ATOM 1100 CA VAL A 77 -7.358 -9.456 -15.244 1.00 0.00 C ATOM 1101 C VAL A 77 -8.490 -8.657 -14.604 1.00 0.00 C ATOM 1102 O VAL A 77 -8.425 -7.430 -14.511 1.00 0.00 O ATOM 1103 CB VAL A 77 -5.998 -8.948 -14.744 1.00 0.00 C ATOM 1104 CG1 VAL A 77 -5.716 -7.536 -15.270 1.00 0.00 C ATOM 1105 CG2 VAL A 77 -5.995 -8.932 -13.213 1.00 0.00 C ATOM 0 H VAL A 77 -7.589 -8.398 -17.046 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.450 -10.505 -14.961 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.220 -9.616 -15.112 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.747 -7.198 -14.903 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.706 -7.549 -16.360 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.494 -6.856 -14.922 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.031 -8.572 -12.855 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.785 -8.272 -12.854 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.167 -9.941 -12.838 1.00 0.00 H new ATOM 1115 N ILE A 78 -9.535 -9.363 -14.176 1.00 0.00 N ATOM 1116 CA ILE A 78 -10.686 -8.711 -13.555 1.00 0.00 C ATOM 1117 C ILE A 78 -10.418 -8.451 -12.081 1.00 0.00 C ATOM 1118 O ILE A 78 -10.044 -9.359 -11.339 1.00 0.00 O ATOM 1119 CB ILE A 78 -11.938 -9.587 -13.700 1.00 0.00 C ATOM 1120 CG1 ILE A 78 -12.286 -9.739 -15.183 1.00 0.00 C ATOM 1121 CG2 ILE A 78 -13.111 -8.922 -12.972 1.00 0.00 C ATOM 1122 CD1 ILE A 78 -13.326 -10.849 -15.351 1.00 0.00 C ATOM 0 H ILE A 78 -9.609 -10.378 -14.247 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.853 -7.760 -14.061 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.746 -10.569 -13.267 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.675 -8.799 -15.575 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.389 -9.976 -15.756 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -14.001 -9.543 -13.074 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.867 -8.809 -11.916 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.301 -7.941 -13.408 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.575 -10.958 -16.407 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.920 -11.788 -14.975 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -14.225 -10.593 -14.791 1.00 0.00 H new ATOM 1134 N THR A 79 -10.616 -7.204 -11.660 1.00 0.00 N ATOM 1135 CA THR A 79 -10.404 -6.832 -10.260 1.00 0.00 C ATOM 1136 C THR A 79 -11.748 -6.579 -9.586 1.00 0.00 C ATOM 1137 O THR A 79 -12.393 -5.557 -9.820 1.00 0.00 O ATOM 1138 CB THR A 79 -9.539 -5.568 -10.182 1.00 0.00 C ATOM 1139 OG1 THR A 79 -9.957 -4.648 -11.182 1.00 0.00 O ATOM 1140 CG2 THR A 79 -8.067 -5.929 -10.401 1.00 0.00 C ATOM 0 H THR A 79 -10.920 -6.438 -12.261 1.00 0.00 H new ATOM 0 HA THR A 79 -9.892 -7.647 -9.747 1.00 0.00 H new ATOM 0 HB THR A 79 -9.652 -5.115 -9.197 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.931 -4.547 -11.147 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.459 -5.026 -10.344 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.746 -6.632 -9.632 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.947 -6.386 -11.383 1.00 0.00 H new ATOM 1148 N LEU A 80 -12.162 -7.522 -8.746 1.00 0.00 N ATOM 1149 CA LEU A 80 -13.434 -7.410 -8.033 1.00 0.00 C ATOM 1150 C LEU A 80 -13.204 -7.462 -6.527 1.00 0.00 C ATOM 1151 O LEU A 80 -12.516 -8.349 -6.024 1.00 0.00 O ATOM 1152 CB LEU A 80 -14.376 -8.554 -8.452 1.00 0.00 C ATOM 1153 CG LEU A 80 -15.809 -8.260 -7.968 1.00 0.00 C ATOM 1154 CD1 LEU A 80 -16.554 -7.408 -9.003 1.00 0.00 C ATOM 1155 CD2 LEU A 80 -16.569 -9.574 -7.770 1.00 0.00 C ATOM 0 H LEU A 80 -11.637 -8.372 -8.541 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.892 -6.454 -8.289 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.365 -8.666 -9.536 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -14.027 -9.497 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 80 -15.752 -7.718 -7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -17.565 -7.207 -8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.026 -6.465 -9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -16.601 -7.945 -9.950 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -17.582 -9.361 -7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -16.612 -10.115 -8.715 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.055 -10.183 -7.026 1.00 0.00 H new ATOM 1167 N ILE A 81 -13.791 -6.506 -5.812 1.00 0.00 N ATOM 1168 CA ILE A 81 -13.670 -6.446 -4.356 1.00 0.00 C ATOM 1169 C ILE A 81 -15.053 -6.261 -3.725 1.00 0.00 C ATOM 1170 O ILE A 81 -16.027 -5.982 -4.423 1.00 0.00 O ATOM 1171 CB ILE A 81 -12.732 -5.301 -3.938 1.00 0.00 C ATOM 1172 CG1 ILE A 81 -12.965 -4.058 -4.804 1.00 0.00 C ATOM 1173 CG2 ILE A 81 -11.278 -5.739 -4.104 1.00 0.00 C ATOM 1174 CD1 ILE A 81 -14.402 -3.556 -4.655 1.00 0.00 C ATOM 0 H ILE A 81 -14.357 -5.760 -6.217 1.00 0.00 H new ATOM 0 HA ILE A 81 -13.242 -7.384 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.941 -5.058 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.268 -3.271 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -12.764 -4.294 -5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -10.617 -4.925 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -11.086 -6.610 -3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -11.092 -5.995 -5.147 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -14.545 -2.673 -5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -15.095 -4.337 -4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -14.591 -3.299 -3.613 1.00 0.00 H new ATOM 1186 N ASN A 82 -15.135 -6.427 -2.408 1.00 0.00 N ATOM 1187 CA ASN A 82 -16.407 -6.274 -1.705 1.00 0.00 C ATOM 1188 C ASN A 82 -16.907 -4.836 -1.805 1.00 0.00 C ATOM 1189 O ASN A 82 -18.091 -4.595 -2.041 1.00 0.00 O ATOM 1190 CB ASN A 82 -16.221 -6.650 -0.235 1.00 0.00 C ATOM 1191 CG ASN A 82 -17.476 -6.322 0.566 1.00 0.00 C ATOM 1192 OD1 ASN A 82 -17.803 -5.151 0.761 1.00 0.00 O ATOM 1193 ND2 ASN A 82 -18.200 -7.293 1.047 1.00 0.00 N ATOM 0 H ASN A 82 -14.344 -6.665 -1.810 1.00 0.00 H new ATOM 0 HA ASN A 82 -17.145 -6.931 -2.166 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.998 -7.714 -0.152 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.368 -6.112 0.179 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -19.040 -7.084 1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -17.927 -8.262 0.884 1.00 0.00 H new ATOM 1457 N GLY B 207 2.129 -1.214 -19.956 1.00 0.00 N ATOM 1458 CA GLY B 207 0.959 -0.531 -20.511 1.00 0.00 C ATOM 1459 C GLY B 207 0.425 0.510 -19.538 1.00 0.00 C ATOM 1460 O GLY B 207 1.183 1.313 -18.992 1.00 0.00 O ATOM 0 HA2 GLY B 207 1.226 -0.051 -21.453 1.00 0.00 H new ATOM 0 HA3 GLY B 207 0.180 -1.260 -20.734 1.00 0.00 H new ATOM 1464 N SER B 208 -0.885 0.485 -19.320 1.00 0.00 N ATOM 1465 CA SER B 208 -1.515 1.425 -18.404 1.00 0.00 C ATOM 1466 C SER B 208 -2.920 0.956 -18.029 1.00 0.00 C ATOM 1467 O SER B 208 -3.454 0.022 -18.628 1.00 0.00 O ATOM 1468 CB SER B 208 -1.578 2.807 -19.043 1.00 0.00 C ATOM 1469 OG SER B 208 -2.413 2.756 -20.192 1.00 0.00 O ATOM 0 H SER B 208 -1.527 -0.172 -19.763 1.00 0.00 H new ATOM 0 HA SER B 208 -0.917 1.477 -17.494 1.00 0.00 H new ATOM 0 HB2 SER B 208 -1.967 3.533 -18.329 1.00 0.00 H new ATOM 0 HB3 SER B 208 -0.577 3.138 -19.321 1.00 0.00 H new ATOM 0 HG SER B 208 -2.457 3.644 -20.604 1.00 0.00 H new ATOM 1475 N TRP B 209 -3.514 1.620 -17.044 1.00 0.00 N ATOM 1476 CA TRP B 209 -4.862 1.274 -16.600 1.00 0.00 C ATOM 1477 C TRP B 209 -5.903 1.930 -17.500 1.00 0.00 C ATOM 1478 O TRP B 209 -5.702 3.042 -17.990 1.00 0.00 O ATOM 1479 CB TRP B 209 -5.075 1.728 -15.156 1.00 0.00 C ATOM 1480 CG TRP B 209 -4.305 0.837 -14.237 1.00 0.00 C ATOM 1481 CD1 TRP B 209 -2.988 0.956 -13.970 1.00 0.00 C ATOM 1482 CD2 TRP B 209 -4.781 -0.303 -13.466 1.00 0.00 C ATOM 1483 NE1 TRP B 209 -2.621 -0.038 -13.081 1.00 0.00 N ATOM 1484 CE2 TRP B 209 -3.693 -0.841 -12.740 1.00 0.00 C ATOM 1485 CE3 TRP B 209 -6.040 -0.916 -13.328 1.00 0.00 C ATOM 1486 CZ2 TRP B 209 -3.846 -1.947 -11.905 1.00 0.00 C ATOM 1487 CZ3 TRP B 209 -6.199 -2.032 -12.489 1.00 0.00 C ATOM 1488 CH2 TRP B 209 -5.104 -2.545 -11.779 1.00 0.00 C ATOM 0 H TRP B 209 -3.088 2.397 -16.539 1.00 0.00 H new ATOM 0 HA TRP B 209 -4.975 0.191 -16.657 1.00 0.00 H new ATOM 0 HB2 TRP B 209 -4.749 2.761 -15.036 1.00 0.00 H new ATOM 0 HB3 TRP B 209 -6.136 1.697 -14.906 1.00 0.00 H new ATOM 0 HD1 TRP B 209 -2.328 1.705 -14.383 1.00 0.00 H new ATOM 0 HE1 TRP B 209 -1.675 -0.163 -12.721 1.00 0.00 H new ATOM 0 HE3 TRP B 209 -6.889 -0.527 -13.870 1.00 0.00 H new ATOM 0 HZ2 TRP B 209 -3.000 -2.339 -11.360 1.00 0.00 H new ATOM 0 HZ3 TRP B 209 -7.169 -2.497 -12.391 1.00 0.00 H new ATOM 0 HH2 TRP B 209 -5.232 -3.402 -11.135 1.00 0.00 H new ATOM 1499 N THR B 210 -7.021 1.236 -17.716 1.00 0.00 N ATOM 1500 CA THR B 210 -8.097 1.760 -18.562 1.00 0.00 C ATOM 1501 C THR B 210 -9.431 1.719 -17.820 1.00 0.00 C ATOM 1502 O THR B 210 -9.801 0.695 -17.246 1.00 0.00 O ATOM 1503 CB THR B 210 -8.198 0.928 -19.843 1.00 0.00 C ATOM 1504 OG1 THR B 210 -8.333 -0.446 -19.506 1.00 0.00 O ATOM 1505 CG2 THR B 210 -6.936 1.127 -20.683 1.00 0.00 C ATOM 0 H THR B 210 -7.206 0.314 -17.320 1.00 0.00 H new ATOM 0 HA THR B 210 -7.868 2.795 -18.815 1.00 0.00 H new ATOM 0 HB THR B 210 -9.068 1.248 -20.416 1.00 0.00 H new ATOM 0 HG1 THR B 210 -8.260 -0.553 -18.535 1.00 0.00 H new ATOM 0 HG21 THR B 210 -7.009 0.534 -21.595 1.00 0.00 H new ATOM 0 HG22 THR B 210 -6.834 2.181 -20.942 1.00 0.00 H new ATOM 0 HG23 THR B 210 -6.064 0.808 -20.111 1.00 0.00 H new ATOM 1513 N TRP B 211 -10.153 2.839 -17.846 1.00 0.00 N ATOM 1514 CA TRP B 211 -11.456 2.925 -17.179 1.00 0.00 C ATOM 1515 C TRP B 211 -12.570 2.551 -18.160 1.00 0.00 C ATOM 1516 O TRP B 211 -12.773 3.224 -19.171 1.00 0.00 O ATOM 1517 CB TRP B 211 -11.672 4.350 -16.646 1.00 0.00 C ATOM 1518 CG TRP B 211 -13.115 4.546 -16.300 1.00 0.00 C ATOM 1519 CD1 TRP B 211 -13.955 5.396 -16.932 1.00 0.00 C ATOM 1520 CD2 TRP B 211 -13.902 3.884 -15.270 1.00 0.00 C ATOM 1521 NE1 TRP B 211 -15.208 5.297 -16.358 1.00 0.00 N ATOM 1522 CE2 TRP B 211 -15.226 4.376 -15.329 1.00 0.00 C ATOM 1523 CE3 TRP B 211 -13.597 2.910 -14.301 1.00 0.00 C ATOM 1524 CZ2 TRP B 211 -16.215 3.921 -14.458 1.00 0.00 C ATOM 1525 CZ3 TRP B 211 -14.591 2.448 -13.421 1.00 0.00 C ATOM 1526 CH2 TRP B 211 -15.897 2.952 -13.500 1.00 0.00 C ATOM 0 H TRP B 211 -9.862 3.695 -18.318 1.00 0.00 H new ATOM 0 HA TRP B 211 -11.479 2.227 -16.342 1.00 0.00 H new ATOM 0 HB2 TRP B 211 -11.051 4.517 -15.766 1.00 0.00 H new ATOM 0 HB3 TRP B 211 -11.366 5.079 -17.396 1.00 0.00 H new ATOM 0 HD1 TRP B 211 -13.690 6.047 -17.752 1.00 0.00 H new ATOM 0 HE1 TRP B 211 -16.020 5.837 -16.657 1.00 0.00 H new ATOM 0 HE3 TRP B 211 -12.594 2.515 -14.233 1.00 0.00 H new ATOM 0 HZ2 TRP B 211 -17.219 4.314 -14.522 1.00 0.00 H new ATOM 0 HZ3 TRP B 211 -14.347 1.701 -12.680 1.00 0.00 H new ATOM 0 HH2 TRP B 211 -16.657 2.593 -12.822 1.00 0.00 H new ATOM 1537 N GLU B 212 -13.305 1.491 -17.840 1.00 0.00 N ATOM 1538 CA GLU B 212 -14.409 1.062 -18.694 1.00 0.00 C ATOM 1539 C GLU B 212 -15.306 0.069 -17.965 1.00 0.00 C ATOM 1540 O GLU B 212 -14.960 -0.421 -16.897 1.00 0.00 O ATOM 1541 CB GLU B 212 -13.845 0.440 -19.998 1.00 0.00 C ATOM 1542 CG GLU B 212 -13.853 -1.097 -19.943 1.00 0.00 C ATOM 1543 CD GLU B 212 -12.945 -1.660 -21.037 1.00 0.00 C ATOM 1544 OE1 GLU B 212 -12.900 -1.068 -22.104 1.00 0.00 O ATOM 1545 OE2 GLU B 212 -12.304 -2.668 -20.792 1.00 0.00 O ATOM 0 H GLU B 212 -13.160 0.919 -17.008 1.00 0.00 H new ATOM 0 HA GLU B 212 -15.017 1.930 -18.949 1.00 0.00 H new ATOM 0 HB2 GLU B 212 -14.438 0.777 -20.848 1.00 0.00 H new ATOM 0 HB3 GLU B 212 -12.827 0.793 -20.159 1.00 0.00 H new ATOM 0 HG2 GLU B 212 -13.513 -1.437 -18.965 1.00 0.00 H new ATOM 0 HG3 GLU B 212 -14.869 -1.469 -20.074 1.00 0.00 H new ATOM 1552 N ASN B 213 -16.434 -0.259 -18.575 1.00 0.00 N ATOM 1553 CA ASN B 213 -17.319 -1.252 -17.995 1.00 0.00 C ATOM 1554 C ASN B 213 -17.578 -0.991 -16.507 1.00 0.00 C ATOM 1555 O ASN B 213 -17.656 -1.934 -15.719 1.00 0.00 O ATOM 1556 CB ASN B 213 -16.666 -2.619 -18.179 1.00 0.00 C ATOM 1557 CG ASN B 213 -16.799 -3.071 -19.630 1.00 0.00 C ATOM 1558 OD1 ASN B 213 -17.618 -2.536 -20.375 1.00 0.00 O ATOM 1559 ND2 ASN B 213 -16.033 -4.025 -20.076 1.00 0.00 N ATOM 0 H ASN B 213 -16.753 0.141 -19.457 1.00 0.00 H new ATOM 0 HA ASN B 213 -18.286 -1.206 -18.496 1.00 0.00 H new ATOM 0 HB2 ASN B 213 -15.613 -2.569 -17.900 1.00 0.00 H new ATOM 0 HB3 ASN B 213 -17.136 -3.347 -17.518 1.00 0.00 H new ATOM 0 HD21 ASN B 213 -16.111 -4.331 -21.046 1.00 0.00 H new ATOM 0 HD22 ASN B 213 -15.355 -4.467 -19.455 1.00 0.00 H new ATOM 1566 N GLY B 214 -17.708 0.275 -16.126 1.00 0.00 N ATOM 1567 CA GLY B 214 -17.965 0.619 -14.725 1.00 0.00 C ATOM 1568 C GLY B 214 -16.962 -0.056 -13.788 1.00 0.00 C ATOM 1569 O GLY B 214 -17.158 -0.075 -12.570 1.00 0.00 O ATOM 0 H GLY B 214 -17.641 1.074 -16.756 1.00 0.00 H new ATOM 0 HA2 GLY B 214 -17.911 1.700 -14.599 1.00 0.00 H new ATOM 0 HA3 GLY B 214 -18.977 0.317 -14.455 1.00 0.00 H new ATOM 1573 N LYS B 215 -15.894 -0.613 -14.353 1.00 0.00 N ATOM 1574 CA LYS B 215 -14.874 -1.289 -13.555 1.00 0.00 C ATOM 1575 C LYS B 215 -13.483 -1.058 -14.138 1.00 0.00 C ATOM 1576 O LYS B 215 -13.327 -0.880 -15.342 1.00 0.00 O ATOM 1577 CB LYS B 215 -15.156 -2.791 -13.519 1.00 0.00 C ATOM 1578 CG LYS B 215 -16.496 -3.033 -12.827 1.00 0.00 C ATOM 1579 CD LYS B 215 -16.620 -4.513 -12.448 1.00 0.00 C ATOM 1580 CE LYS B 215 -16.640 -5.384 -13.713 1.00 0.00 C ATOM 1581 NZ LYS B 215 -15.249 -5.827 -14.027 1.00 0.00 N ATOM 0 H LYS B 215 -15.712 -0.610 -15.357 1.00 0.00 H new ATOM 0 HA LYS B 215 -14.906 -0.878 -12.546 1.00 0.00 H new ATOM 0 HB2 LYS B 215 -15.178 -3.194 -14.532 1.00 0.00 H new ATOM 0 HB3 LYS B 215 -14.359 -3.310 -12.987 1.00 0.00 H new ATOM 0 HG2 LYS B 215 -16.573 -2.411 -11.935 1.00 0.00 H new ATOM 0 HG3 LYS B 215 -17.315 -2.747 -13.487 1.00 0.00 H new ATOM 0 HD2 LYS B 215 -15.785 -4.804 -11.810 1.00 0.00 H new ATOM 0 HD3 LYS B 215 -17.532 -4.674 -11.873 1.00 0.00 H new ATOM 0 HE2 LYS B 215 -17.285 -6.250 -13.562 1.00 0.00 H new ATOM 0 HE3 LYS B 215 -17.053 -4.821 -14.550 1.00 0.00 H new ATOM 0 HZ1 LYS B 215 -14.985 -5.496 -14.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 215 -14.591 -5.429 -13.326 1.00 0.00 H new ATOM 0 HZ3 LYS B 215 -15.200 -6.865 -13.997 1.00 0.00 H new ATOM 1595 N TRP B 216 -12.471 -1.080 -13.276 1.00 0.00 N ATOM 1596 CA TRP B 216 -11.097 -0.886 -13.728 1.00 0.00 C ATOM 1597 C TRP B 216 -10.490 -2.216 -14.156 1.00 0.00 C ATOM 1598 O TRP B 216 -10.476 -3.181 -13.389 1.00 0.00 O ATOM 1599 CB TRP B 216 -10.268 -0.281 -12.598 1.00 0.00 C ATOM 1600 CG TRP B 216 -10.819 1.062 -12.255 1.00 0.00 C ATOM 1601 CD1 TRP B 216 -11.998 1.276 -11.632 1.00 0.00 C ATOM 1602 CD2 TRP B 216 -10.242 2.375 -12.505 1.00 0.00 C ATOM 1603 NE1 TRP B 216 -12.182 2.638 -11.479 1.00 0.00 N ATOM 1604 CE2 TRP B 216 -11.127 3.358 -12.000 1.00 0.00 C ATOM 1605 CE3 TRP B 216 -9.047 2.807 -13.111 1.00 0.00 C ATOM 1606 CZ2 TRP B 216 -10.838 4.720 -12.094 1.00 0.00 C ATOM 1607 CZ3 TRP B 216 -8.754 4.177 -13.207 1.00 0.00 C ATOM 1608 CH2 TRP B 216 -9.647 5.131 -12.700 1.00 0.00 C ATOM 0 H TRP B 216 -12.574 -1.228 -12.272 1.00 0.00 H new ATOM 0 HA TRP B 216 -11.097 -0.209 -14.582 1.00 0.00 H new ATOM 0 HB2 TRP B 216 -10.292 -0.932 -11.724 1.00 0.00 H new ATOM 0 HB3 TRP B 216 -9.225 -0.193 -12.902 1.00 0.00 H new ATOM 0 HD1 TRP B 216 -12.685 0.509 -11.306 1.00 0.00 H new ATOM 0 HE1 TRP B 216 -12.998 3.059 -11.035 1.00 0.00 H new ATOM 0 HE3 TRP B 216 -8.351 2.080 -13.504 1.00 0.00 H new ATOM 0 HZ2 TRP B 216 -11.529 5.451 -11.702 1.00 0.00 H new ATOM 0 HZ3 TRP B 216 -7.835 4.498 -13.674 1.00 0.00 H new ATOM 0 HH2 TRP B 216 -9.415 6.183 -12.777 1.00 0.00 H new ATOM 1619 N THR B 217 -9.991 -2.266 -15.389 1.00 0.00 N ATOM 1620 CA THR B 217 -9.384 -3.487 -15.921 1.00 0.00 C ATOM 1621 C THR B 217 -8.125 -3.152 -16.710 1.00 0.00 C ATOM 1622 O THR B 217 -8.026 -2.089 -17.330 1.00 0.00 O ATOM 1623 CB THR B 217 -10.384 -4.223 -16.825 1.00 0.00 C ATOM 1624 OG1 THR B 217 -11.666 -4.222 -16.213 1.00 0.00 O ATOM 1625 CG2 THR B 217 -9.927 -5.672 -17.034 1.00 0.00 C ATOM 0 H THR B 217 -9.994 -1.479 -16.038 1.00 0.00 H new ATOM 0 HA THR B 217 -9.115 -4.133 -15.086 1.00 0.00 H new ATOM 0 HB THR B 217 -10.435 -3.716 -17.788 1.00 0.00 H new ATOM 0 HG1 THR B 217 -12.305 -4.690 -16.790 1.00 0.00 H new ATOM 0 HG21 THR B 217 -10.640 -6.189 -17.676 1.00 0.00 H new ATOM 0 HG22 THR B 217 -8.944 -5.679 -17.504 1.00 0.00 H new ATOM 0 HG23 THR B 217 -9.872 -6.179 -16.071 1.00 0.00 H new ATOM 1633 N TRP B 218 -7.160 -4.070 -16.683 1.00 0.00 N ATOM 1634 CA TRP B 218 -5.897 -3.890 -17.396 1.00 0.00 C ATOM 1635 C TRP B 218 -5.869 -4.765 -18.644 1.00 0.00 C ATOM 1636 O TRP B 218 -6.004 -5.987 -18.563 1.00 0.00 O ATOM 1637 CB TRP B 218 -4.731 -4.265 -16.487 1.00 0.00 C ATOM 1638 CG TRP B 218 -3.449 -4.065 -17.224 1.00 0.00 C ATOM 1639 CD1 TRP B 218 -2.979 -4.877 -18.198 1.00 0.00 C ATOM 1640 CD2 TRP B 218 -2.467 -3.003 -17.067 1.00 0.00 C ATOM 1641 NE1 TRP B 218 -1.774 -4.377 -18.653 1.00 0.00 N ATOM 1642 CE2 TRP B 218 -1.414 -3.225 -17.985 1.00 0.00 C ATOM 1643 CE3 TRP B 218 -2.386 -1.878 -16.226 1.00 0.00 C ATOM 1644 CZ2 TRP B 218 -0.323 -2.364 -18.067 1.00 0.00 C ATOM 1645 CZ3 TRP B 218 -1.287 -1.008 -16.305 1.00 0.00 C ATOM 1646 CH2 TRP B 218 -0.257 -1.251 -17.225 1.00 0.00 C ATOM 0 H TRP B 218 -7.230 -4.950 -16.172 1.00 0.00 H new ATOM 0 HA TRP B 218 -5.807 -2.844 -17.690 1.00 0.00 H new ATOM 0 HB2 TRP B 218 -4.745 -3.652 -15.586 1.00 0.00 H new ATOM 0 HB3 TRP B 218 -4.823 -5.303 -16.168 1.00 0.00 H new ATOM 0 HD1 TRP B 218 -3.466 -5.770 -18.561 1.00 0.00 H new ATOM 0 HE1 TRP B 218 -1.219 -4.807 -19.392 1.00 0.00 H new ATOM 0 HE3 TRP B 218 -3.175 -1.682 -15.515 1.00 0.00 H new ATOM 0 HZ2 TRP B 218 0.468 -2.555 -18.777 1.00 0.00 H new ATOM 0 HZ3 TRP B 218 -1.235 -0.148 -15.654 1.00 0.00 H new ATOM 0 HH2 TRP B 218 0.586 -0.579 -17.283 1.00 0.00 H new ATOM 1657 N LYS B 219 -5.698 -4.132 -19.800 1.00 0.00 N ATOM 1658 CA LYS B 219 -5.652 -4.851 -21.074 1.00 0.00 C ATOM 1659 C LYS B 219 -4.714 -4.161 -22.053 1.00 0.00 C ATOM 1660 O LYS B 219 -4.246 -3.052 -21.804 1.00 0.00 O ATOM 1661 CB LYS B 219 -7.053 -4.919 -21.692 1.00 0.00 C ATOM 1662 CG LYS B 219 -7.920 -5.909 -20.920 1.00 0.00 C ATOM 1663 CD LYS B 219 -9.302 -5.966 -21.569 1.00 0.00 C ATOM 1664 CE LYS B 219 -10.141 -7.030 -20.869 1.00 0.00 C ATOM 1665 NZ LYS B 219 -11.502 -7.083 -21.475 1.00 0.00 N ATOM 0 H LYS B 219 -5.589 -3.121 -19.884 1.00 0.00 H new ATOM 0 HA LYS B 219 -5.284 -5.858 -20.877 1.00 0.00 H new ATOM 0 HB2 LYS B 219 -7.514 -3.931 -21.677 1.00 0.00 H new ATOM 0 HB3 LYS B 219 -6.984 -5.222 -22.737 1.00 0.00 H new ATOM 0 HG2 LYS B 219 -7.460 -6.897 -20.925 1.00 0.00 H new ATOM 0 HG3 LYS B 219 -8.005 -5.603 -19.877 1.00 0.00 H new ATOM 0 HD2 LYS B 219 -9.791 -4.995 -21.497 1.00 0.00 H new ATOM 0 HD3 LYS B 219 -9.209 -6.198 -22.630 1.00 0.00 H new ATOM 0 HE2 LYS B 219 -9.657 -8.003 -20.956 1.00 0.00 H new ATOM 0 HE3 LYS B 219 -10.216 -6.805 -19.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 219 -12.068 -7.810 -20.993 1.00 0.00 H new ATOM 0 HZ2 LYS B 219 -11.965 -6.158 -21.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 219 -11.423 -7.318 -22.485 1.00 0.00 H new ATOM 1679 N GLY B 220 -4.433 -4.843 -23.155 1.00 0.00 N ATOM 1680 CA GLY B 220 -3.548 -4.294 -24.166 1.00 0.00 C ATOM 1681 C GLY B 220 -3.480 -5.200 -25.387 1.00 0.00 C ATOM 1682 O GLY B 220 -4.357 -6.036 -25.601 1.00 0.00 O ATOM 0 H GLY B 220 -4.803 -5.769 -23.368 1.00 0.00 H new ATOM 0 HA2 GLY B 220 -3.899 -3.305 -24.462 1.00 0.00 H new ATOM 0 HA3 GLY B 220 -2.549 -4.166 -23.748 1.00 0.00 H new ATOM 1686 N ILE B 221 -2.452 -5.004 -26.201 1.00 0.00 N ATOM 1687 CA ILE B 221 -2.304 -5.777 -27.420 1.00 0.00 C ATOM 1688 C ILE B 221 -2.438 -7.276 -27.138 1.00 0.00 C ATOM 1689 O ILE B 221 -3.434 -7.895 -27.510 1.00 0.00 O ATOM 1690 CB ILE B 221 -0.970 -5.416 -28.093 1.00 0.00 C ATOM 1691 CG1 ILE B 221 -0.914 -6.121 -29.445 1.00 0.00 C ATOM 1692 CG2 ILE B 221 0.234 -5.786 -27.215 1.00 0.00 C ATOM 1693 CD1 ILE B 221 0.392 -5.789 -30.173 1.00 0.00 C ATOM 0 H ILE B 221 -1.713 -4.320 -26.038 1.00 0.00 H new ATOM 0 HA ILE B 221 -3.107 -5.527 -28.114 1.00 0.00 H new ATOM 0 HB ILE B 221 -0.916 -4.337 -28.235 1.00 0.00 H new ATOM 0 HG12 ILE B 221 -0.993 -7.199 -29.303 1.00 0.00 H new ATOM 0 HG13 ILE B 221 -1.764 -5.817 -30.055 1.00 0.00 H new ATOM 0 HG21 ILE B 221 1.156 -5.514 -27.729 1.00 0.00 H new ATOM 0 HG22 ILE B 221 0.173 -5.248 -26.269 1.00 0.00 H new ATOM 0 HG23 ILE B 221 0.229 -6.859 -27.023 1.00 0.00 H new ATOM 0 HD11 ILE B 221 0.413 -6.301 -31.135 1.00 0.00 H new ATOM 0 HD12 ILE B 221 0.456 -4.713 -30.334 1.00 0.00 H new ATOM 0 HD13 ILE B 221 1.238 -6.116 -29.569 1.00 0.00 H new ATOM 1705 N ILE B 222 -1.460 -7.840 -26.460 1.00 0.00 N ATOM 1706 CA ILE B 222 -1.481 -9.252 -26.095 1.00 0.00 C ATOM 1707 C ILE B 222 -0.527 -9.486 -24.932 1.00 0.00 C ATOM 1708 O ILE B 222 -0.080 -8.540 -24.287 1.00 0.00 O ATOM 1709 CB ILE B 222 -1.064 -10.132 -27.266 1.00 0.00 C ATOM 1710 CG1 ILE B 222 0.270 -9.613 -27.808 1.00 0.00 C ATOM 1711 CG2 ILE B 222 -2.144 -10.081 -28.358 1.00 0.00 C ATOM 1712 CD1 ILE B 222 0.997 -10.733 -28.539 1.00 0.00 C ATOM 0 H ILE B 222 -0.629 -7.340 -26.145 1.00 0.00 H new ATOM 0 HA ILE B 222 -2.500 -9.515 -25.811 1.00 0.00 H new ATOM 0 HB ILE B 222 -0.950 -11.167 -26.944 1.00 0.00 H new ATOM 0 HG12 ILE B 222 0.098 -8.776 -28.484 1.00 0.00 H new ATOM 0 HG13 ILE B 222 0.886 -9.240 -26.990 1.00 0.00 H new ATOM 0 HG21 ILE B 222 -1.845 -10.711 -29.196 1.00 0.00 H new ATOM 0 HG22 ILE B 222 -3.089 -10.442 -27.952 1.00 0.00 H new ATOM 0 HG23 ILE B 222 -2.265 -9.054 -28.702 1.00 0.00 H new ATOM 0 HD11 ILE B 222 1.946 -10.360 -28.924 1.00 0.00 H new ATOM 0 HD12 ILE B 222 1.183 -11.557 -27.850 1.00 0.00 H new ATOM 0 HD13 ILE B 222 0.383 -11.085 -29.368 1.00 0.00 H new ATOM 1724 N ARG B 223 -0.204 -10.746 -24.683 1.00 0.00 N ATOM 1725 CA ARG B 223 0.719 -11.101 -23.618 1.00 0.00 C ATOM 1726 C ARG B 223 1.931 -10.187 -23.620 1.00 0.00 C ATOM 1727 O ARG B 223 2.099 -9.344 -24.503 1.00 0.00 O ATOM 1728 CB ARG B 223 1.168 -12.538 -23.774 1.00 0.00 C ATOM 1729 CG ARG B 223 1.553 -12.794 -25.223 1.00 0.00 C ATOM 1730 CD ARG B 223 2.008 -14.237 -25.347 1.00 0.00 C ATOM 1731 NE ARG B 223 2.411 -14.516 -26.718 1.00 0.00 N ATOM 1732 CZ ARG B 223 3.643 -14.246 -27.137 1.00 0.00 C ATOM 1733 NH1 ARG B 223 4.518 -13.733 -26.313 1.00 0.00 N ATOM 1734 NH2 ARG B 223 3.978 -14.489 -28.372 1.00 0.00 N ATOM 0 H ARG B 223 -0.569 -11.542 -25.206 1.00 0.00 H new ATOM 0 HA ARG B 223 0.197 -10.984 -22.668 1.00 0.00 H new ATOM 0 HB2 ARG B 223 2.017 -12.738 -23.120 1.00 0.00 H new ATOM 0 HB3 ARG B 223 0.368 -13.215 -23.474 1.00 0.00 H new ATOM 0 HG2 ARG B 223 0.704 -12.606 -25.880 1.00 0.00 H new ATOM 0 HG3 ARG B 223 2.350 -12.117 -25.530 1.00 0.00 H new ATOM 0 HD2 ARG B 223 2.841 -14.424 -24.669 1.00 0.00 H new ATOM 0 HD3 ARG B 223 1.201 -14.908 -25.053 1.00 0.00 H new ATOM 0 HE ARG B 223 1.738 -14.925 -27.366 1.00 0.00 H new ATOM 0 HH11 ARG B 223 4.256 -13.539 -25.346 1.00 0.00 H new ATOM 0 HH12 ARG B 223 5.463 -13.526 -26.636 1.00 0.00 H new ATOM 0 HH21 ARG B 223 3.295 -14.886 -29.017 1.00 0.00 H new ATOM 0 HH22 ARG B 223 4.923 -14.282 -28.694 1.00 0.00 H new ATOM 1748 N LEU B 224 2.770 -10.372 -22.623 1.00 0.00 N ATOM 1749 CA LEU B 224 3.966 -9.568 -22.495 1.00 0.00 C ATOM 1750 C LEU B 224 4.855 -9.739 -23.723 1.00 0.00 C ATOM 1751 O LEU B 224 5.190 -10.857 -24.116 1.00 0.00 O ATOM 1752 CB LEU B 224 4.732 -9.980 -21.233 1.00 0.00 C ATOM 1753 CG LEU B 224 3.975 -9.541 -19.965 1.00 0.00 C ATOM 1754 CD1 LEU B 224 3.856 -8.011 -19.924 1.00 0.00 C ATOM 1755 CD2 LEU B 224 2.571 -10.164 -19.936 1.00 0.00 C ATOM 0 H LEU B 224 2.646 -11.071 -21.891 1.00 0.00 H new ATOM 0 HA LEU B 224 3.680 -8.519 -22.417 1.00 0.00 H new ATOM 0 HB2 LEU B 224 4.871 -11.061 -21.223 1.00 0.00 H new ATOM 0 HB3 LEU B 224 5.725 -9.531 -21.242 1.00 0.00 H new ATOM 0 HG LEU B 224 4.535 -9.884 -19.095 1.00 0.00 H new ATOM 0 HD11 LEU B 224 3.319 -7.712 -19.024 1.00 0.00 H new ATOM 0 HD12 LEU B 224 4.852 -7.569 -19.916 1.00 0.00 H new ATOM 0 HD13 LEU B 224 3.312 -7.665 -20.803 1.00 0.00 H new ATOM 0 HD21 LEU B 224 2.049 -9.844 -19.034 1.00 0.00 H new ATOM 0 HD22 LEU B 224 2.011 -9.840 -20.813 1.00 0.00 H new ATOM 0 HD23 LEU B 224 2.655 -11.251 -19.940 1.00 0.00 H new ATOM 1767 N GLU B 225 5.232 -8.617 -24.322 1.00 0.00 N ATOM 1768 CA GLU B 225 6.081 -8.632 -25.506 1.00 0.00 C ATOM 1769 C GLU B 225 7.541 -8.757 -25.102 1.00 0.00 C ATOM 1770 O GLU B 225 7.939 -8.313 -24.025 1.00 0.00 O ATOM 1771 CB GLU B 225 5.871 -7.346 -26.309 1.00 0.00 C ATOM 1772 CG GLU B 225 6.424 -7.527 -27.723 1.00 0.00 C ATOM 1773 CD GLU B 225 5.521 -8.469 -28.511 1.00 0.00 C ATOM 1774 OE1 GLU B 225 4.469 -8.816 -27.998 1.00 0.00 O ATOM 1775 OE2 GLU B 225 5.893 -8.830 -29.616 1.00 0.00 O ATOM 0 H GLU B 225 4.963 -7.685 -24.007 1.00 0.00 H new ATOM 0 HA GLU B 225 5.813 -9.489 -26.124 1.00 0.00 H new ATOM 0 HB2 GLU B 225 4.810 -7.101 -26.351 1.00 0.00 H new ATOM 0 HB3 GLU B 225 6.371 -6.512 -25.816 1.00 0.00 H new ATOM 0 HG2 GLU B 225 6.486 -6.562 -28.226 1.00 0.00 H new ATOM 0 HG3 GLU B 225 7.436 -7.930 -27.679 1.00 0.00 H new