USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 593 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 12 LYS NZ :NH3+ -166:sc= 1.24 (180deg=1.23) USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= -0.0109 (180deg=-0.115) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.836 X(o=-0.84,f=-0.68) USER MOD Single : A 53 GLN : amide:sc= -0.0149 K(o=-0.015,f=-1.7) USER MOD Single : A 58 CYS SG : rot 83:sc= 0.989 USER MOD Single : A 61 SER OG : rot 62:sc= 0.443 USER MOD Single : A 63 MET CE :methyl 145:sc= -0.129 (180deg=-0.478) USER MOD Single : A 73 THR OG1 : rot 79:sc= 0.613 USER MOD Single : A 79 SER OG : rot -79:sc= 0.86 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 83 HIS : no HD1:sc= -0.0396 X(o=-0.04,f=0) USER MOD Single : A 84 CYS SG : rot -83:sc= 0.07 USER MOD Single : A 86 MET CE :methyl -161:sc= -0.113 (180deg=-0.635) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 10 -9.965 9.823 8.160 1.00 0.00 N ATOM 149 CA ASP A 10 -9.527 8.476 8.501 1.00 0.00 C ATOM 150 C ASP A 10 -10.509 7.439 7.985 1.00 0.00 C ATOM 151 O ASP A 10 -11.723 7.590 8.126 1.00 0.00 O ATOM 152 CB ASP A 10 -9.365 8.323 10.017 1.00 0.00 C ATOM 153 CG ASP A 10 -9.065 6.891 10.426 1.00 0.00 C ATOM 154 OD1 ASP A 10 -7.909 6.444 10.252 1.00 0.00 O ATOM 155 OD2 ASP A 10 -9.985 6.206 10.922 1.00 0.00 O ATOM 0 HA ASP A 10 -8.561 8.313 8.024 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.560 8.972 10.361 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.277 8.656 10.513 1.00 0.00 H new ATOM 160 N VAL A 11 -9.973 6.388 7.385 1.00 0.00 N ATOM 161 CA VAL A 11 -10.779 5.273 6.917 1.00 0.00 C ATOM 162 C VAL A 11 -10.020 3.964 7.126 1.00 0.00 C ATOM 163 O VAL A 11 -8.831 3.860 6.802 1.00 0.00 O ATOM 164 CB VAL A 11 -11.187 5.438 5.429 1.00 0.00 C ATOM 165 CG1 VAL A 11 -9.967 5.580 4.529 1.00 0.00 C ATOM 166 CG2 VAL A 11 -12.060 4.277 4.971 1.00 0.00 C ATOM 0 H VAL A 11 -8.974 6.284 7.210 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.699 5.254 7.501 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.769 6.356 5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.290 5.694 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.394 6.457 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.343 4.691 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.332 4.417 3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.510 3.343 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.964 4.239 5.579 1.00 0.00 H new ATOM 176 N LYS A 12 -10.695 2.978 7.697 1.00 0.00 N ATOM 177 CA LYS A 12 -10.060 1.707 8.003 1.00 0.00 C ATOM 178 C LYS A 12 -10.367 0.680 6.924 1.00 0.00 C ATOM 179 O LYS A 12 -11.245 0.888 6.084 1.00 0.00 O ATOM 180 CB LYS A 12 -10.520 1.183 9.366 1.00 0.00 C ATOM 181 CG LYS A 12 -10.326 2.166 10.511 1.00 0.00 C ATOM 182 CD LYS A 12 -8.896 2.677 10.591 1.00 0.00 C ATOM 183 CE LYS A 12 -8.689 3.520 11.838 1.00 0.00 C ATOM 184 NZ LYS A 12 -7.413 4.279 11.798 1.00 0.00 N ATOM 0 H LYS A 12 -11.680 3.034 7.957 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.983 1.871 8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.576 0.919 9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.975 0.266 9.593 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.005 3.009 10.383 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.591 1.683 11.452 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.205 1.834 10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.667 3.269 9.705 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.521 4.216 11.946 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.698 2.875 12.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.198 4.646 12.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.645 3.651 11.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.502 5.073 11.132 1.00 0.00 H new ATOM 198 N TRP A 13 -9.643 -0.429 6.953 1.00 0.00 N ATOM 199 CA TRP A 13 -9.834 -1.489 5.982 1.00 0.00 C ATOM 200 C TRP A 13 -10.657 -2.623 6.563 1.00 0.00 C ATOM 201 O TRP A 13 -10.454 -3.033 7.707 1.00 0.00 O ATOM 202 CB TRP A 13 -8.494 -2.022 5.484 1.00 0.00 C ATOM 203 CG TRP A 13 -8.190 -1.584 4.089 1.00 0.00 C ATOM 204 CD1 TRP A 13 -9.046 -1.609 3.029 1.00 0.00 C ATOM 205 CD2 TRP A 13 -6.950 -1.066 3.595 1.00 0.00 C ATOM 206 NE1 TRP A 13 -8.425 -1.127 1.909 1.00 0.00 N ATOM 207 CE2 TRP A 13 -7.134 -0.789 2.227 1.00 0.00 C ATOM 208 CE3 TRP A 13 -5.706 -0.805 4.175 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -6.118 -0.266 1.433 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -4.699 -0.287 3.383 1.00 0.00 C ATOM 211 CH2 TRP A 13 -4.911 -0.022 2.025 1.00 0.00 C ATOM 0 H TRP A 13 -8.915 -0.616 7.643 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.377 -1.064 5.138 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.701 -1.682 6.150 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.501 -3.111 5.527 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.067 -1.959 3.067 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.852 -1.034 0.988 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.535 -1.004 5.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.278 -0.060 0.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.732 -0.083 3.819 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.104 0.384 1.433 1.00 0.00 H new ATOM 222 N GLU A 14 -11.578 -3.130 5.758 1.00 0.00 N ATOM 223 CA GLU A 14 -12.455 -4.214 6.182 1.00 0.00 C ATOM 224 C GLU A 14 -11.692 -5.532 6.193 1.00 0.00 C ATOM 225 O GLU A 14 -11.952 -6.416 7.006 1.00 0.00 O ATOM 226 CB GLU A 14 -13.664 -4.309 5.250 1.00 0.00 C ATOM 227 CG GLU A 14 -14.429 -3.001 5.119 1.00 0.00 C ATOM 228 CD GLU A 14 -14.907 -2.468 6.454 1.00 0.00 C ATOM 229 OE1 GLU A 14 -15.963 -2.928 6.940 1.00 0.00 O ATOM 230 OE2 GLU A 14 -14.237 -1.583 7.024 1.00 0.00 O ATOM 0 H GLU A 14 -11.739 -2.808 4.804 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.808 -4.006 7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.328 -4.626 4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.339 -5.081 5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.790 -2.257 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.287 -3.151 4.464 1.00 0.00 H new ATOM 237 N LYS A 15 -10.744 -5.649 5.276 1.00 0.00 N ATOM 238 CA LYS A 15 -9.858 -6.798 5.221 1.00 0.00 C ATOM 239 C LYS A 15 -8.413 -6.316 5.247 1.00 0.00 C ATOM 240 O LYS A 15 -7.910 -5.796 4.248 1.00 0.00 O ATOM 241 CB LYS A 15 -10.130 -7.634 3.965 1.00 0.00 C ATOM 242 CG LYS A 15 -11.495 -8.309 3.972 1.00 0.00 C ATOM 243 CD LYS A 15 -11.812 -8.980 2.643 1.00 0.00 C ATOM 244 CE LYS A 15 -10.873 -10.138 2.335 1.00 0.00 C ATOM 245 NZ LYS A 15 -10.986 -11.244 3.326 1.00 0.00 N ATOM 0 H LYS A 15 -10.569 -4.952 4.552 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.040 -7.435 6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.055 -6.992 3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.356 -8.396 3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.527 -9.052 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.263 -7.569 4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.839 -9.344 2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.748 -8.242 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.091 -10.523 1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.846 -9.774 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.458 -12.072 2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.592 -10.935 4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.987 -11.498 3.450 1.00 0.00 H new ATOM 259 N PRO A 16 -7.747 -6.464 6.406 1.00 0.00 N ATOM 260 CA PRO A 16 -6.384 -5.960 6.633 1.00 0.00 C ATOM 261 C PRO A 16 -5.409 -6.344 5.526 1.00 0.00 C ATOM 262 O PRO A 16 -5.444 -7.462 5.004 1.00 0.00 O ATOM 263 CB PRO A 16 -5.981 -6.625 7.947 1.00 0.00 C ATOM 264 CG PRO A 16 -7.264 -6.844 8.665 1.00 0.00 C ATOM 265 CD PRO A 16 -8.283 -7.145 7.603 1.00 0.00 C ATOM 0 HA PRO A 16 -6.360 -4.870 6.654 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.459 -7.566 7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.308 -5.990 8.523 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.180 -7.670 9.372 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.546 -5.961 9.239 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.388 -8.218 7.441 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.268 -6.765 7.873 1.00 0.00 H new ATOM 273 N VAL A 17 -4.542 -5.407 5.171 1.00 0.00 N ATOM 274 CA VAL A 17 -3.574 -5.626 4.108 1.00 0.00 C ATOM 275 C VAL A 17 -2.186 -5.851 4.690 1.00 0.00 C ATOM 276 O VAL A 17 -1.629 -4.975 5.352 1.00 0.00 O ATOM 277 CB VAL A 17 -3.531 -4.437 3.125 1.00 0.00 C ATOM 278 CG1 VAL A 17 -2.555 -4.712 1.990 1.00 0.00 C ATOM 279 CG2 VAL A 17 -4.920 -4.145 2.577 1.00 0.00 C ATOM 0 H VAL A 17 -4.490 -4.486 5.605 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.889 -6.514 3.561 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.184 -3.558 3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.540 -3.861 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.556 -4.867 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.868 -5.605 1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.869 -3.304 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.296 -5.023 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.591 -3.899 3.400 1.00 0.00 H new ATOM 289 N THR A 18 -1.640 -7.031 4.449 1.00 0.00 N ATOM 290 CA THR A 18 -0.328 -7.389 4.957 1.00 0.00 C ATOM 291 C THR A 18 0.748 -7.112 3.910 1.00 0.00 C ATOM 292 O THR A 18 0.785 -7.765 2.867 1.00 0.00 O ATOM 293 CB THR A 18 -0.291 -8.881 5.340 1.00 0.00 C ATOM 294 OG1 THR A 18 -1.495 -9.237 6.035 1.00 0.00 O ATOM 295 CG2 THR A 18 0.912 -9.189 6.219 1.00 0.00 C ATOM 0 H THR A 18 -2.091 -7.763 3.900 1.00 0.00 H new ATOM 0 HA THR A 18 -0.132 -6.782 5.841 1.00 0.00 H new ATOM 0 HB THR A 18 -0.210 -9.465 4.423 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.466 -10.187 6.274 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.914 -10.249 6.475 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.828 -8.944 5.681 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.857 -8.596 7.132 1.00 0.00 H new ATOM 303 N ILE A 19 1.611 -6.138 4.171 1.00 0.00 N ATOM 304 CA ILE A 19 2.720 -5.870 3.271 1.00 0.00 C ATOM 305 C ILE A 19 3.953 -6.625 3.755 1.00 0.00 C ATOM 306 O ILE A 19 4.353 -6.509 4.916 1.00 0.00 O ATOM 307 CB ILE A 19 3.017 -4.348 3.132 1.00 0.00 C ATOM 308 CG1 ILE A 19 4.043 -4.090 2.028 1.00 0.00 C ATOM 309 CG2 ILE A 19 3.506 -3.740 4.441 1.00 0.00 C ATOM 310 CD1 ILE A 19 4.288 -2.621 1.773 1.00 0.00 C ATOM 0 H ILE A 19 1.564 -5.529 4.988 1.00 0.00 H new ATOM 0 HA ILE A 19 2.443 -6.220 2.277 1.00 0.00 H new ATOM 0 HB ILE A 19 2.076 -3.867 2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.985 -4.567 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.701 -4.560 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.701 -2.677 4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.744 -3.869 5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.424 -4.238 4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.026 -2.508 0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.355 -2.143 1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.660 -2.151 2.683 1.00 0.00 H new ATOM 322 N SER A 20 4.523 -7.440 2.886 1.00 0.00 N ATOM 323 CA SER A 20 5.661 -8.250 3.264 1.00 0.00 C ATOM 324 C SER A 20 6.954 -7.530 2.913 1.00 0.00 C ATOM 325 O SER A 20 7.370 -7.496 1.752 1.00 0.00 O ATOM 326 CB SER A 20 5.602 -9.615 2.574 1.00 0.00 C ATOM 327 OG SER A 20 6.371 -10.578 3.273 1.00 0.00 O ATOM 0 H SER A 20 4.217 -7.557 1.920 1.00 0.00 H new ATOM 0 HA SER A 20 5.632 -8.412 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.566 -9.949 2.512 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.970 -9.525 1.552 1.00 0.00 H new ATOM 0 HG SER A 20 6.314 -11.440 2.811 1.00 0.00 H new ATOM 333 N LEU A 21 7.569 -6.929 3.915 1.00 0.00 N ATOM 334 CA LEU A 21 8.821 -6.227 3.726 1.00 0.00 C ATOM 335 C LEU A 21 9.968 -7.226 3.652 1.00 0.00 C ATOM 336 O LEU A 21 9.957 -8.245 4.350 1.00 0.00 O ATOM 337 CB LEU A 21 9.034 -5.221 4.859 1.00 0.00 C ATOM 338 CG LEU A 21 7.904 -4.198 5.014 1.00 0.00 C ATOM 339 CD1 LEU A 21 8.172 -3.266 6.187 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.728 -3.403 3.728 1.00 0.00 C ATOM 0 H LEU A 21 7.218 -6.914 4.873 1.00 0.00 H new ATOM 0 HA LEU A 21 8.789 -5.675 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.146 -5.766 5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.969 -4.689 4.686 1.00 0.00 H new ATOM 0 HG LEU A 21 6.980 -4.739 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.356 -2.549 6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.245 -3.849 7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.107 -2.732 6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.922 -2.681 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.654 -2.877 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.482 -4.082 2.911 1.00 0.00 H new ATOM 352 N GLN A 22 10.953 -6.924 2.810 1.00 0.00 N ATOM 353 CA GLN A 22 12.045 -7.852 2.510 1.00 0.00 C ATOM 354 C GLN A 22 12.821 -8.250 3.764 1.00 0.00 C ATOM 355 O GLN A 22 13.393 -9.338 3.832 1.00 0.00 O ATOM 356 CB GLN A 22 12.997 -7.233 1.485 1.00 0.00 C ATOM 357 CG GLN A 22 14.123 -8.163 1.062 1.00 0.00 C ATOM 358 CD GLN A 22 15.095 -7.517 0.097 1.00 0.00 C ATOM 359 OE1 GLN A 22 14.725 -6.653 -0.695 1.00 0.00 O ATOM 360 NE2 GLN A 22 16.347 -7.942 0.156 1.00 0.00 N ATOM 0 H GLN A 22 11.019 -6.033 2.317 1.00 0.00 H new ATOM 0 HA GLN A 22 11.598 -8.756 2.096 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.428 -6.940 0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.426 -6.323 1.903 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.665 -8.494 1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.697 -9.053 0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.610 -8.661 0.829 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.049 -7.550 -0.472 1.00 0.00 H new ATOM 369 N ASN A 23 12.824 -7.378 4.765 1.00 0.00 N ATOM 370 CA ASN A 23 13.544 -7.650 6.005 1.00 0.00 C ATOM 371 C ASN A 23 12.794 -8.669 6.857 1.00 0.00 C ATOM 372 O ASN A 23 13.253 -9.055 7.929 1.00 0.00 O ATOM 373 CB ASN A 23 13.767 -6.360 6.802 1.00 0.00 C ATOM 374 CG ASN A 23 14.558 -5.323 6.027 1.00 0.00 C ATOM 375 OD1 ASN A 23 13.986 -4.459 5.366 1.00 0.00 O ATOM 376 ND2 ASN A 23 15.879 -5.412 6.087 1.00 0.00 N ATOM 0 H ASN A 23 12.339 -6.481 4.744 1.00 0.00 H new ATOM 0 HA ASN A 23 14.516 -8.067 5.740 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.801 -5.939 7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.293 -6.596 7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.459 -4.749 5.573 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.316 -6.144 6.647 1.00 0.00 H new ATOM 383 N GLY A 24 11.642 -9.109 6.367 1.00 0.00 N ATOM 384 CA GLY A 24 10.868 -10.109 7.070 1.00 0.00 C ATOM 385 C GLY A 24 9.870 -9.491 8.021 1.00 0.00 C ATOM 386 O GLY A 24 9.603 -10.033 9.092 1.00 0.00 O ATOM 0 H GLY A 24 11.230 -8.788 5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.341 -10.733 6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.540 -10.763 7.625 1.00 0.00 H new ATOM 390 N ALA A 25 9.312 -8.357 7.628 1.00 0.00 N ATOM 391 CA ALA A 25 8.357 -7.654 8.465 1.00 0.00 C ATOM 392 C ALA A 25 7.007 -7.538 7.767 1.00 0.00 C ATOM 393 O ALA A 25 6.833 -6.714 6.870 1.00 0.00 O ATOM 394 CB ALA A 25 8.887 -6.276 8.833 1.00 0.00 C ATOM 0 H ALA A 25 9.505 -7.905 6.734 1.00 0.00 H new ATOM 0 HA ALA A 25 8.218 -8.229 9.381 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.159 -5.762 9.461 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.826 -6.381 9.377 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.056 -5.697 7.925 1.00 0.00 H new ATOM 400 N PRO A 26 6.048 -8.394 8.138 1.00 0.00 N ATOM 401 CA PRO A 26 4.682 -8.324 7.634 1.00 0.00 C ATOM 402 C PRO A 26 3.894 -7.233 8.344 1.00 0.00 C ATOM 403 O PRO A 26 3.399 -7.429 9.455 1.00 0.00 O ATOM 404 CB PRO A 26 4.094 -9.710 7.952 1.00 0.00 C ATOM 405 CG PRO A 26 5.216 -10.506 8.544 1.00 0.00 C ATOM 406 CD PRO A 26 6.211 -9.512 9.068 1.00 0.00 C ATOM 0 HA PRO A 26 4.643 -8.082 6.572 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.261 -9.630 8.650 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.710 -10.187 7.051 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.854 -11.152 9.344 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.671 -11.153 7.794 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.994 -9.222 10.096 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.227 -9.907 9.056 1.00 0.00 H new ATOM 414 N ARG A 27 3.810 -6.071 7.717 1.00 0.00 N ATOM 415 CA ARG A 27 3.119 -4.942 8.318 1.00 0.00 C ATOM 416 C ARG A 27 1.646 -4.979 7.938 1.00 0.00 C ATOM 417 O ARG A 27 1.292 -4.803 6.770 1.00 0.00 O ATOM 418 CB ARG A 27 3.749 -3.620 7.875 1.00 0.00 C ATOM 419 CG ARG A 27 3.466 -2.461 8.817 1.00 0.00 C ATOM 420 CD ARG A 27 4.055 -1.163 8.287 1.00 0.00 C ATOM 421 NE ARG A 27 4.191 -0.144 9.330 1.00 0.00 N ATOM 422 CZ ARG A 27 3.598 1.051 9.299 1.00 0.00 C ATOM 423 NH1 ARG A 27 2.721 1.342 8.349 1.00 0.00 N ATOM 424 NH2 ARG A 27 3.868 1.951 10.232 1.00 0.00 N ATOM 0 H ARG A 27 4.209 -5.885 6.797 1.00 0.00 H new ATOM 0 HA ARG A 27 3.211 -5.014 9.402 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.828 -3.752 7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.380 -3.367 6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.389 -2.349 8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.884 -2.678 9.800 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.033 -1.363 7.849 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.421 -0.779 7.488 1.00 0.00 H new ATOM 0 HE ARG A 27 4.779 -0.362 10.135 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.495 0.650 7.634 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.272 2.258 8.332 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.530 1.731 10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.414 2.864 10.207 1.00 0.00 H new ATOM 438 N ILE A 28 0.798 -5.234 8.921 1.00 0.00 N ATOM 439 CA ILE A 28 -0.633 -5.345 8.691 1.00 0.00 C ATOM 440 C ILE A 28 -1.299 -3.979 8.791 1.00 0.00 C ATOM 441 O ILE A 28 -1.384 -3.395 9.874 1.00 0.00 O ATOM 442 CB ILE A 28 -1.287 -6.312 9.703 1.00 0.00 C ATOM 443 CG1 ILE A 28 -0.632 -7.694 9.612 1.00 0.00 C ATOM 444 CG2 ILE A 28 -2.785 -6.413 9.451 1.00 0.00 C ATOM 445 CD1 ILE A 28 -1.163 -8.691 10.620 1.00 0.00 C ATOM 0 H ILE A 28 1.079 -5.369 9.892 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.775 -5.742 7.686 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.135 -5.921 10.709 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.783 -8.091 8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.443 -7.586 9.754 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.230 -7.098 10.173 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.239 -5.428 9.558 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.960 -6.785 8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.651 -9.645 10.493 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.988 -8.317 11.629 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.233 -8.830 10.465 1.00 0.00 H new ATOM 457 N PHE A 29 -1.752 -3.467 7.657 1.00 0.00 N ATOM 458 CA PHE A 29 -2.428 -2.183 7.622 1.00 0.00 C ATOM 459 C PHE A 29 -3.887 -2.344 8.016 1.00 0.00 C ATOM 460 O PHE A 29 -4.647 -3.055 7.352 1.00 0.00 O ATOM 461 CB PHE A 29 -2.337 -1.553 6.230 1.00 0.00 C ATOM 462 CG PHE A 29 -0.931 -1.287 5.776 1.00 0.00 C ATOM 463 CD1 PHE A 29 -0.108 -0.436 6.493 1.00 0.00 C ATOM 464 CD2 PHE A 29 -0.434 -1.888 4.632 1.00 0.00 C ATOM 465 CE1 PHE A 29 1.183 -0.186 6.077 1.00 0.00 C ATOM 466 CE2 PHE A 29 0.857 -1.640 4.210 1.00 0.00 C ATOM 467 CZ PHE A 29 1.668 -0.789 4.935 1.00 0.00 C ATOM 0 H PHE A 29 -1.663 -3.923 6.749 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.933 -1.524 8.335 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.823 -2.212 5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.893 -0.615 6.229 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.481 0.038 7.389 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.063 -2.558 4.064 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.814 0.482 6.645 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.232 -2.111 3.314 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.679 -0.596 4.609 1.00 0.00 H new ATOM 477 N ASN A 30 -4.267 -1.687 9.100 1.00 0.00 N ATOM 478 CA ASN A 30 -5.644 -1.721 9.572 1.00 0.00 C ATOM 479 C ASN A 30 -6.430 -0.591 8.936 1.00 0.00 C ATOM 480 O ASN A 30 -7.662 -0.623 8.881 1.00 0.00 O ATOM 481 CB ASN A 30 -5.697 -1.593 11.096 1.00 0.00 C ATOM 482 CG ASN A 30 -5.127 -2.802 11.812 1.00 0.00 C ATOM 483 OD1 ASN A 30 -5.253 -3.937 11.347 1.00 0.00 O ATOM 484 ND2 ASN A 30 -4.483 -2.565 12.942 1.00 0.00 N ATOM 0 H ASN A 30 -3.640 -1.122 9.672 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.085 -2.677 9.289 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.145 -0.704 11.400 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.731 -1.448 11.407 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.068 -3.337 13.464 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.402 -1.610 13.292 1.00 0.00 H new ATOM 491 N GLY A 31 -5.710 0.408 8.447 1.00 0.00 N ATOM 492 CA GLY A 31 -6.347 1.551 7.845 1.00 0.00 C ATOM 493 C GLY A 31 -5.621 2.014 6.609 1.00 0.00 C ATOM 494 O GLY A 31 -4.419 1.785 6.465 1.00 0.00 O ATOM 0 H GLY A 31 -4.691 0.443 8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.376 1.300 7.588 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.389 2.366 8.568 1.00 0.00 H new ATOM 498 N VAL A 32 -6.344 2.678 5.722 1.00 0.00 N ATOM 499 CA VAL A 32 -5.781 3.120 4.457 1.00 0.00 C ATOM 500 C VAL A 32 -4.749 4.222 4.684 1.00 0.00 C ATOM 501 O VAL A 32 -3.777 4.344 3.937 1.00 0.00 O ATOM 502 CB VAL A 32 -6.881 3.625 3.499 1.00 0.00 C ATOM 503 CG1 VAL A 32 -6.316 3.870 2.111 1.00 0.00 C ATOM 504 CG2 VAL A 32 -8.041 2.641 3.440 1.00 0.00 C ATOM 0 H VAL A 32 -7.325 2.923 5.856 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.292 2.261 3.998 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.257 4.572 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.109 4.225 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.527 4.620 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.906 2.941 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.804 3.018 2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.681 1.676 3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.470 2.524 4.435 1.00 0.00 H new ATOM 514 N TYR A 33 -4.947 5.008 5.739 1.00 0.00 N ATOM 515 CA TYR A 33 -4.027 6.090 6.056 1.00 0.00 C ATOM 516 C TYR A 33 -2.656 5.536 6.431 1.00 0.00 C ATOM 517 O TYR A 33 -1.632 6.106 6.065 1.00 0.00 O ATOM 518 CB TYR A 33 -4.567 6.964 7.193 1.00 0.00 C ATOM 519 CG TYR A 33 -3.680 8.157 7.483 1.00 0.00 C ATOM 520 CD1 TYR A 33 -3.811 9.333 6.759 1.00 0.00 C ATOM 521 CD2 TYR A 33 -2.693 8.094 8.460 1.00 0.00 C ATOM 522 CE1 TYR A 33 -2.981 10.412 6.995 1.00 0.00 C ATOM 523 CE2 TYR A 33 -1.863 9.171 8.706 1.00 0.00 C ATOM 524 CZ TYR A 33 -2.011 10.326 7.970 1.00 0.00 C ATOM 525 OH TYR A 33 -1.174 11.396 8.194 1.00 0.00 O ATOM 0 H TYR A 33 -5.732 4.915 6.384 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.928 6.710 5.165 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.566 7.314 6.934 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.664 6.360 8.095 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.574 9.406 5.998 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.573 7.188 9.036 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.092 11.318 6.418 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.103 9.108 9.471 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.547 11.176 8.914 1.00 0.00 H new ATOM 535 N GLU A 34 -2.644 4.414 7.146 1.00 0.00 N ATOM 536 CA GLU A 34 -1.394 3.792 7.577 1.00 0.00 C ATOM 537 C GLU A 34 -0.566 3.368 6.377 1.00 0.00 C ATOM 538 O GLU A 34 0.661 3.474 6.382 1.00 0.00 O ATOM 539 CB GLU A 34 -1.667 2.574 8.452 1.00 0.00 C ATOM 540 CG GLU A 34 -2.491 2.880 9.683 1.00 0.00 C ATOM 541 CD GLU A 34 -2.651 1.671 10.573 1.00 0.00 C ATOM 542 OE1 GLU A 34 -3.587 0.879 10.340 1.00 0.00 O ATOM 543 OE2 GLU A 34 -1.844 1.515 11.514 1.00 0.00 O ATOM 0 H GLU A 34 -3.485 3.917 7.439 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.840 4.531 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.184 1.820 7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.716 2.140 8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.017 3.684 10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.474 3.240 9.380 1.00 0.00 H new ATOM 550 N ALA A 35 -1.253 2.879 5.354 1.00 0.00 N ATOM 551 CA ALA A 35 -0.607 2.478 4.118 1.00 0.00 C ATOM 552 C ALA A 35 0.004 3.692 3.428 1.00 0.00 C ATOM 553 O ALA A 35 1.169 3.674 3.033 1.00 0.00 O ATOM 554 CB ALA A 35 -1.606 1.772 3.212 1.00 0.00 C ATOM 0 H ALA A 35 -2.265 2.751 5.359 1.00 0.00 H new ATOM 0 HA ALA A 35 0.198 1.778 4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.112 1.475 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.993 0.887 3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.430 2.448 2.982 1.00 0.00 H new ATOM 560 N PHE A 36 -0.791 4.753 3.321 1.00 0.00 N ATOM 561 CA PHE A 36 -0.335 6.015 2.744 1.00 0.00 C ATOM 562 C PHE A 36 0.870 6.554 3.513 1.00 0.00 C ATOM 563 O PHE A 36 1.888 6.925 2.922 1.00 0.00 O ATOM 564 CB PHE A 36 -1.480 7.035 2.774 1.00 0.00 C ATOM 565 CG PHE A 36 -1.143 8.361 2.151 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.228 8.538 0.781 1.00 0.00 C ATOM 567 CD2 PHE A 36 -0.753 9.434 2.938 1.00 0.00 C ATOM 568 CE1 PHE A 36 -0.923 9.756 0.205 1.00 0.00 C ATOM 569 CE2 PHE A 36 -0.450 10.654 2.369 1.00 0.00 C ATOM 570 CZ PHE A 36 -0.536 10.817 1.000 1.00 0.00 C ATOM 0 H PHE A 36 -1.763 4.763 3.629 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.031 5.842 1.712 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.341 6.612 2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.778 7.199 3.810 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.536 7.714 0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.686 9.313 4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.987 9.878 -0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.146 11.481 2.994 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.301 11.772 0.553 1.00 0.00 H new ATOM 580 N ASP A 37 0.742 6.575 4.835 1.00 0.00 N ATOM 581 CA ASP A 37 1.793 7.063 5.720 1.00 0.00 C ATOM 582 C ASP A 37 3.086 6.282 5.513 1.00 0.00 C ATOM 583 O ASP A 37 4.149 6.868 5.308 1.00 0.00 O ATOM 584 CB ASP A 37 1.340 6.944 7.178 1.00 0.00 C ATOM 585 CG ASP A 37 2.354 7.497 8.159 1.00 0.00 C ATOM 586 OD1 ASP A 37 3.239 6.738 8.599 1.00 0.00 O ATOM 587 OD2 ASP A 37 2.258 8.697 8.504 1.00 0.00 O ATOM 0 H ASP A 37 -0.094 6.254 5.324 1.00 0.00 H new ATOM 0 HA ASP A 37 1.984 8.110 5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.395 7.473 7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.152 5.896 7.410 1.00 0.00 H new ATOM 592 N PHE A 38 2.979 4.959 5.543 1.00 0.00 N ATOM 593 CA PHE A 38 4.135 4.080 5.412 1.00 0.00 C ATOM 594 C PHE A 38 4.865 4.306 4.092 1.00 0.00 C ATOM 595 O PHE A 38 6.094 4.378 4.059 1.00 0.00 O ATOM 596 CB PHE A 38 3.697 2.617 5.516 1.00 0.00 C ATOM 597 CG PHE A 38 4.824 1.637 5.358 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.836 1.570 6.304 1.00 0.00 C ATOM 599 CD2 PHE A 38 4.873 0.784 4.265 1.00 0.00 C ATOM 600 CE1 PHE A 38 6.875 0.673 6.163 1.00 0.00 C ATOM 601 CE2 PHE A 38 5.910 -0.116 4.120 1.00 0.00 C ATOM 602 CZ PHE A 38 6.913 -0.170 5.068 1.00 0.00 C ATOM 0 H PHE A 38 2.093 4.467 5.658 1.00 0.00 H new ATOM 0 HA PHE A 38 4.824 4.315 6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.221 2.457 6.484 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.944 2.417 4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.811 2.227 7.161 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.092 0.824 3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.657 0.630 6.907 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.937 -0.777 3.266 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.727 -0.871 4.954 1.00 0.00 H new ATOM 612 N LEU A 39 4.100 4.434 3.015 1.00 0.00 N ATOM 613 CA LEU A 39 4.666 4.590 1.680 1.00 0.00 C ATOM 614 C LEU A 39 5.563 5.823 1.588 1.00 0.00 C ATOM 615 O LEU A 39 6.581 5.806 0.898 1.00 0.00 O ATOM 616 CB LEU A 39 3.550 4.688 0.639 1.00 0.00 C ATOM 617 CG LEU A 39 2.666 3.449 0.502 1.00 0.00 C ATOM 618 CD1 LEU A 39 1.484 3.739 -0.408 1.00 0.00 C ATOM 619 CD2 LEU A 39 3.469 2.275 -0.032 1.00 0.00 C ATOM 0 H LEU A 39 3.080 4.433 3.040 1.00 0.00 H new ATOM 0 HA LEU A 39 5.277 3.710 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.916 5.539 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.000 4.901 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 39 2.288 3.186 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.864 2.847 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.892 4.552 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.847 4.027 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.822 1.403 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.876 2.528 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.286 2.051 0.654 1.00 0.00 H new ATOM 631 N GLN A 40 5.185 6.890 2.275 1.00 0.00 N ATOM 632 CA GLN A 40 5.963 8.121 2.241 1.00 0.00 C ATOM 633 C GLN A 40 6.951 8.190 3.401 1.00 0.00 C ATOM 634 O GLN A 40 7.853 9.025 3.406 1.00 0.00 O ATOM 635 CB GLN A 40 5.046 9.346 2.234 1.00 0.00 C ATOM 636 CG GLN A 40 4.360 9.568 0.895 1.00 0.00 C ATOM 637 CD GLN A 40 3.474 10.798 0.875 1.00 0.00 C ATOM 638 OE1 GLN A 40 2.888 11.176 1.889 1.00 0.00 O ATOM 639 NE2 GLN A 40 3.382 11.444 -0.280 1.00 0.00 N ATOM 0 H GLN A 40 4.350 6.930 2.860 1.00 0.00 H new ATOM 0 HA GLN A 40 6.539 8.120 1.316 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.288 9.230 3.009 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.629 10.231 2.488 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.118 9.661 0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.759 8.691 0.652 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.883 11.099 -1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.810 12.286 -0.349 1.00 0.00 H new ATOM 648 N HIS A 41 6.790 7.303 4.373 1.00 0.00 N ATOM 649 CA HIS A 41 7.717 7.230 5.495 1.00 0.00 C ATOM 650 C HIS A 41 8.964 6.469 5.090 1.00 0.00 C ATOM 651 O HIS A 41 10.070 7.013 5.096 1.00 0.00 O ATOM 652 CB HIS A 41 7.070 6.556 6.704 1.00 0.00 C ATOM 653 CG HIS A 41 6.430 7.514 7.659 1.00 0.00 C ATOM 654 ND1 HIS A 41 6.435 7.324 9.022 1.00 0.00 N ATOM 655 CD2 HIS A 41 5.766 8.675 7.447 1.00 0.00 C ATOM 656 CE1 HIS A 41 5.805 8.323 9.606 1.00 0.00 C ATOM 657 NE2 HIS A 41 5.388 9.159 8.674 1.00 0.00 N ATOM 0 H HIS A 41 6.028 6.625 4.408 1.00 0.00 H new ATOM 0 HA HIS A 41 7.987 8.248 5.775 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.318 5.849 6.355 1.00 0.00 H new ATOM 0 HB3 HIS A 41 7.827 5.979 7.235 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.570 9.135 6.490 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.655 8.438 10.669 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.870 10.022 8.839 1.00 0.00 H new ATOM 666 N GLU A 42 8.777 5.213 4.730 1.00 0.00 N ATOM 667 CA GLU A 42 9.864 4.386 4.254 1.00 0.00 C ATOM 668 C GLU A 42 9.318 3.243 3.422 1.00 0.00 C ATOM 669 O GLU A 42 8.816 2.252 3.950 1.00 0.00 O ATOM 670 CB GLU A 42 10.712 3.842 5.406 1.00 0.00 C ATOM 671 CG GLU A 42 11.856 2.964 4.926 1.00 0.00 C ATOM 672 CD GLU A 42 12.803 2.567 6.033 1.00 0.00 C ATOM 673 OE1 GLU A 42 12.501 1.607 6.770 1.00 0.00 O ATOM 674 OE2 GLU A 42 13.865 3.212 6.169 1.00 0.00 O ATOM 0 H GLU A 42 7.873 4.742 4.760 1.00 0.00 H new ATOM 0 HA GLU A 42 10.510 5.009 3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.115 4.676 5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.077 3.268 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.447 2.064 4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.412 3.493 4.152 1.00 0.00 H new ATOM 681 N TRP A 43 9.371 3.422 2.121 1.00 0.00 N ATOM 682 CA TRP A 43 9.024 2.374 1.180 1.00 0.00 C ATOM 683 C TRP A 43 10.306 1.705 0.685 1.00 0.00 C ATOM 684 O TRP A 43 10.969 2.208 -0.218 1.00 0.00 O ATOM 685 CB TRP A 43 8.216 2.988 0.031 1.00 0.00 C ATOM 686 CG TRP A 43 7.957 2.080 -1.136 1.00 0.00 C ATOM 687 CD1 TRP A 43 8.515 2.192 -2.376 1.00 0.00 C ATOM 688 CD2 TRP A 43 7.072 0.949 -1.192 1.00 0.00 C ATOM 689 NE1 TRP A 43 8.023 1.221 -3.205 1.00 0.00 N ATOM 690 CE2 TRP A 43 7.145 0.440 -2.505 1.00 0.00 C ATOM 691 CE3 TRP A 43 6.226 0.312 -0.271 1.00 0.00 C ATOM 692 CZ2 TRP A 43 6.407 -0.663 -2.919 1.00 0.00 C ATOM 693 CZ3 TRP A 43 5.498 -0.786 -0.691 1.00 0.00 C ATOM 694 CH2 TRP A 43 5.592 -1.261 -2.001 1.00 0.00 C ATOM 0 H TRP A 43 9.656 4.298 1.683 1.00 0.00 H new ATOM 0 HA TRP A 43 8.409 1.609 1.654 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.258 3.327 0.425 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.743 3.872 -0.329 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.240 2.939 -2.662 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.271 1.099 -4.187 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.145 0.672 0.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.476 -1.034 -3.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.844 -1.286 0.008 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.007 -2.120 -2.294 1.00 0.00 H new ATOM 705 N PRO A 44 10.694 0.578 1.308 1.00 0.00 N ATOM 706 CA PRO A 44 11.963 -0.093 1.014 1.00 0.00 C ATOM 707 C PRO A 44 11.921 -0.884 -0.287 1.00 0.00 C ATOM 708 O PRO A 44 12.963 -1.224 -0.855 1.00 0.00 O ATOM 709 CB PRO A 44 12.145 -1.029 2.208 1.00 0.00 C ATOM 710 CG PRO A 44 10.759 -1.346 2.655 1.00 0.00 C ATOM 711 CD PRO A 44 9.928 -0.126 2.356 1.00 0.00 C ATOM 0 HA PRO A 44 12.779 0.617 0.879 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.686 -1.932 1.925 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.718 -0.551 3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.371 -2.219 2.130 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.738 -1.579 3.720 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.931 -0.397 2.008 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.798 0.496 3.242 1.00 0.00 H new ATOM 719 N ALA A 45 10.716 -1.167 -0.756 1.00 0.00 N ATOM 720 CA ALA A 45 10.531 -1.919 -1.984 1.00 0.00 C ATOM 721 C ALA A 45 10.556 -0.987 -3.187 1.00 0.00 C ATOM 722 O ALA A 45 10.972 0.168 -3.079 1.00 0.00 O ATOM 723 CB ALA A 45 9.228 -2.700 -1.925 1.00 0.00 C ATOM 0 H ALA A 45 9.848 -0.885 -0.301 1.00 0.00 H new ATOM 0 HA ALA A 45 11.351 -2.628 -2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.098 -3.261 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.256 -3.391 -1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.395 -2.009 -1.800 1.00 0.00 H new ATOM 729 N ARG A 46 10.119 -1.486 -4.333 1.00 0.00 N ATOM 730 CA ARG A 46 10.135 -0.704 -5.558 1.00 0.00 C ATOM 731 C ARG A 46 8.800 -0.835 -6.282 1.00 0.00 C ATOM 732 O ARG A 46 7.947 -1.623 -5.875 1.00 0.00 O ATOM 733 CB ARG A 46 11.298 -1.158 -6.447 1.00 0.00 C ATOM 734 CG ARG A 46 12.642 -1.080 -5.739 1.00 0.00 C ATOM 735 CD ARG A 46 13.775 -1.622 -6.587 1.00 0.00 C ATOM 736 NE ARG A 46 15.012 -1.749 -5.814 1.00 0.00 N ATOM 737 CZ ARG A 46 16.193 -2.082 -6.337 1.00 0.00 C ATOM 738 NH1 ARG A 46 16.328 -2.215 -7.653 1.00 0.00 N ATOM 739 NH2 ARG A 46 17.244 -2.254 -5.544 1.00 0.00 N ATOM 0 H ARG A 46 9.749 -2.430 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 46 10.281 0.349 -5.315 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.122 -2.183 -6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.328 -0.539 -7.344 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.852 -0.043 -5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.591 -1.640 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.495 -2.595 -6.990 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.943 -0.961 -7.437 1.00 0.00 H new ATOM 0 HE ARG A 46 14.968 -1.571 -4.811 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.527 -2.062 -8.266 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.233 -2.470 -8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.148 -2.131 -4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 46 18.148 -2.509 -5.943 1.00 0.00 H new ATOM 753 N GLY A 47 8.614 -0.059 -7.339 1.00 0.00 N ATOM 754 CA GLY A 47 7.354 -0.071 -8.057 1.00 0.00 C ATOM 755 C GLY A 47 7.186 1.153 -8.932 1.00 0.00 C ATOM 756 O GLY A 47 6.508 1.100 -9.963 1.00 0.00 O ATOM 0 H GLY A 47 9.314 0.581 -7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.297 -0.968 -8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.531 -0.122 -7.344 1.00 0.00 H new ATOM 760 N ASP A 48 7.774 2.265 -8.494 1.00 0.00 N ATOM 761 CA ASP A 48 7.826 3.497 -9.283 1.00 0.00 C ATOM 762 C ASP A 48 6.445 4.143 -9.351 1.00 0.00 C ATOM 763 O ASP A 48 5.990 4.743 -8.377 1.00 0.00 O ATOM 764 CB ASP A 48 8.394 3.215 -10.686 1.00 0.00 C ATOM 765 CG ASP A 48 8.566 4.458 -11.536 1.00 0.00 C ATOM 766 OD1 ASP A 48 9.591 5.147 -11.385 1.00 0.00 O ATOM 767 OD2 ASP A 48 7.684 4.726 -12.375 1.00 0.00 O ATOM 0 H ASP A 48 8.228 2.338 -7.583 1.00 0.00 H new ATOM 0 HA ASP A 48 8.497 4.203 -8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.359 2.719 -10.584 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.732 2.521 -11.203 1.00 0.00 H new ATOM 772 N ARG A 49 5.753 3.984 -10.471 1.00 0.00 N ATOM 773 CA ARG A 49 4.406 4.516 -10.600 1.00 0.00 C ATOM 774 C ARG A 49 3.412 3.636 -9.863 1.00 0.00 C ATOM 775 O ARG A 49 2.336 4.089 -9.487 1.00 0.00 O ATOM 776 CB ARG A 49 4.014 4.673 -12.068 1.00 0.00 C ATOM 777 CG ARG A 49 4.733 5.820 -12.754 1.00 0.00 C ATOM 778 CD ARG A 49 4.252 6.011 -14.181 1.00 0.00 C ATOM 779 NE ARG A 49 4.573 4.868 -15.036 1.00 0.00 N ATOM 780 CZ ARG A 49 4.066 4.693 -16.256 1.00 0.00 C ATOM 781 NH1 ARG A 49 3.167 5.549 -16.728 1.00 0.00 N ATOM 782 NH2 ARG A 49 4.441 3.656 -16.996 1.00 0.00 N ATOM 0 H ARG A 49 6.100 3.495 -11.296 1.00 0.00 H new ATOM 0 HA ARG A 49 4.388 5.506 -10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.232 3.746 -12.598 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.938 4.833 -12.136 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.573 6.739 -12.190 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.806 5.629 -12.754 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.173 6.169 -14.180 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.705 6.911 -14.597 1.00 0.00 H new ATOM 0 HE ARG A 49 5.221 4.166 -14.678 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.866 6.339 -16.157 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.778 5.417 -17.662 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.120 2.988 -16.631 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.050 3.527 -17.929 1.00 0.00 H new ATOM 796 N ALA A 50 3.784 2.380 -9.636 1.00 0.00 N ATOM 797 CA ALA A 50 2.972 1.488 -8.817 1.00 0.00 C ATOM 798 C ALA A 50 2.962 1.992 -7.380 1.00 0.00 C ATOM 799 O ALA A 50 1.965 1.877 -6.666 1.00 0.00 O ATOM 800 CB ALA A 50 3.502 0.065 -8.882 1.00 0.00 C ATOM 0 H ALA A 50 4.637 1.959 -10.005 1.00 0.00 H new ATOM 0 HA ALA A 50 1.952 1.481 -9.202 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.881 -0.583 -8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.477 -0.286 -9.914 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.528 0.042 -8.515 1.00 0.00 H new ATOM 806 N HIS A 51 4.086 2.578 -6.980 1.00 0.00 N ATOM 807 CA HIS A 51 4.206 3.214 -5.678 1.00 0.00 C ATOM 808 C HIS A 51 3.300 4.436 -5.615 1.00 0.00 C ATOM 809 O HIS A 51 2.614 4.662 -4.618 1.00 0.00 O ATOM 810 CB HIS A 51 5.667 3.611 -5.419 1.00 0.00 C ATOM 811 CG HIS A 51 5.865 4.497 -4.224 1.00 0.00 C ATOM 812 ND1 HIS A 51 5.834 4.034 -2.928 1.00 0.00 N ATOM 813 CD2 HIS A 51 6.089 5.831 -4.139 1.00 0.00 C ATOM 814 CE1 HIS A 51 6.027 5.043 -2.099 1.00 0.00 C ATOM 815 NE2 HIS A 51 6.183 6.142 -2.808 1.00 0.00 N ATOM 0 H HIS A 51 4.933 2.624 -7.547 1.00 0.00 H new ATOM 0 HA HIS A 51 3.897 2.510 -4.905 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.259 2.705 -5.287 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.055 4.120 -6.302 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.177 6.520 -4.966 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.053 4.978 -1.021 1.00 0.00 H new ATOM 0 HE2 HIS A 51 6.347 7.074 -2.428 1.00 0.00 H new ATOM 824 N GLU A 52 3.308 5.218 -6.686 1.00 0.00 N ATOM 825 CA GLU A 52 2.472 6.413 -6.761 1.00 0.00 C ATOM 826 C GLU A 52 0.989 6.054 -6.783 1.00 0.00 C ATOM 827 O GLU A 52 0.183 6.701 -6.118 1.00 0.00 O ATOM 828 CB GLU A 52 2.817 7.241 -7.992 1.00 0.00 C ATOM 829 CG GLU A 52 4.252 7.727 -8.015 1.00 0.00 C ATOM 830 CD GLU A 52 4.438 8.896 -8.950 1.00 0.00 C ATOM 831 OE1 GLU A 52 4.541 8.680 -10.173 1.00 0.00 O ATOM 832 OE2 GLU A 52 4.461 10.046 -8.465 1.00 0.00 O ATOM 0 H GLU A 52 3.881 5.049 -7.513 1.00 0.00 H new ATOM 0 HA GLU A 52 2.672 7.004 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.630 6.644 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.150 8.102 -8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.553 8.017 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.906 6.911 -8.321 1.00 0.00 H new ATOM 839 N GLN A 53 0.636 5.029 -7.554 1.00 0.00 N ATOM 840 CA GLN A 53 -0.744 4.559 -7.624 1.00 0.00 C ATOM 841 C GLN A 53 -1.266 4.199 -6.239 1.00 0.00 C ATOM 842 O GLN A 53 -2.387 4.559 -5.877 1.00 0.00 O ATOM 843 CB GLN A 53 -0.852 3.349 -8.550 1.00 0.00 C ATOM 844 CG GLN A 53 -0.681 3.689 -10.019 1.00 0.00 C ATOM 845 CD GLN A 53 -0.669 2.460 -10.902 1.00 0.00 C ATOM 846 OE1 GLN A 53 -0.224 1.387 -10.491 1.00 0.00 O ATOM 847 NE2 GLN A 53 -1.179 2.605 -12.113 1.00 0.00 N ATOM 0 H GLN A 53 1.288 4.507 -8.140 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.354 5.368 -8.026 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.097 2.616 -8.265 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.824 2.878 -8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.490 4.349 -10.332 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.250 4.239 -10.155 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.536 3.513 -12.411 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.215 1.809 -12.750 1.00 0.00 H new ATOM 856 N ALA A 54 -0.440 3.501 -5.468 1.00 0.00 N ATOM 857 CA ALA A 54 -0.796 3.130 -4.108 1.00 0.00 C ATOM 858 C ALA A 54 -1.105 4.373 -3.276 1.00 0.00 C ATOM 859 O ALA A 54 -2.146 4.449 -2.629 1.00 0.00 O ATOM 860 CB ALA A 54 0.321 2.316 -3.472 1.00 0.00 C ATOM 0 H ALA A 54 0.482 3.181 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.694 2.513 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.040 2.046 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.488 1.410 -4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.236 2.908 -3.451 1.00 0.00 H new ATOM 866 N LEU A 55 -0.203 5.351 -3.324 1.00 0.00 N ATOM 867 CA LEU A 55 -0.385 6.612 -2.604 1.00 0.00 C ATOM 868 C LEU A 55 -1.658 7.323 -3.046 1.00 0.00 C ATOM 869 O LEU A 55 -2.490 7.708 -2.220 1.00 0.00 O ATOM 870 CB LEU A 55 0.816 7.531 -2.837 1.00 0.00 C ATOM 871 CG LEU A 55 2.084 7.155 -2.077 1.00 0.00 C ATOM 872 CD1 LEU A 55 3.265 7.957 -2.593 1.00 0.00 C ATOM 873 CD2 LEU A 55 1.895 7.401 -0.590 1.00 0.00 C ATOM 0 H LEU A 55 0.665 5.295 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.469 6.378 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.042 7.543 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.534 8.547 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 55 2.285 6.096 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.163 7.678 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.411 7.749 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.070 9.021 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.806 7.129 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.677 8.455 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.066 6.795 -0.223 1.00 0.00 H new ATOM 885 N ARG A 56 -1.800 7.484 -4.355 1.00 0.00 N ATOM 886 CA ARG A 56 -2.936 8.182 -4.939 1.00 0.00 C ATOM 887 C ARG A 56 -4.255 7.566 -4.484 1.00 0.00 C ATOM 888 O ARG A 56 -5.167 8.274 -4.053 1.00 0.00 O ATOM 889 CB ARG A 56 -2.836 8.150 -6.465 1.00 0.00 C ATOM 890 CG ARG A 56 -3.947 8.907 -7.167 1.00 0.00 C ATOM 891 CD ARG A 56 -3.756 8.898 -8.674 1.00 0.00 C ATOM 892 NE ARG A 56 -4.807 9.642 -9.359 1.00 0.00 N ATOM 893 CZ ARG A 56 -4.672 10.186 -10.565 1.00 0.00 C ATOM 894 NH1 ARG A 56 -3.527 10.074 -11.231 1.00 0.00 N ATOM 895 NH2 ARG A 56 -5.689 10.843 -11.108 1.00 0.00 N ATOM 0 H ARG A 56 -1.131 7.134 -5.041 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.914 9.217 -4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.876 8.570 -6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.848 7.113 -6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.909 8.459 -6.918 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.972 9.936 -6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.786 9.330 -8.920 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.747 7.869 -9.033 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.702 9.752 -8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.744 9.568 -10.817 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.432 10.494 -12.156 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.570 10.929 -10.601 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.590 11.262 -12.033 1.00 0.00 H new ATOM 909 N LEU A 57 -4.343 6.242 -4.560 1.00 0.00 N ATOM 910 CA LEU A 57 -5.557 5.534 -4.184 1.00 0.00 C ATOM 911 C LEU A 57 -5.798 5.611 -2.681 1.00 0.00 C ATOM 912 O LEU A 57 -6.938 5.749 -2.241 1.00 0.00 O ATOM 913 CB LEU A 57 -5.491 4.078 -4.644 1.00 0.00 C ATOM 914 CG LEU A 57 -5.444 3.890 -6.162 1.00 0.00 C ATOM 915 CD1 LEU A 57 -5.313 2.420 -6.512 1.00 0.00 C ATOM 916 CD2 LEU A 57 -6.686 4.480 -6.812 1.00 0.00 C ATOM 0 H LEU A 57 -3.585 5.639 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.397 6.019 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.608 3.612 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.359 3.547 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.570 4.416 -6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.281 2.305 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.395 2.023 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.168 1.874 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.635 4.337 -7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.573 3.981 -6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.742 5.546 -6.590 1.00 0.00 H new ATOM 928 N CYS A 58 -4.728 5.542 -1.895 1.00 0.00 N ATOM 929 CA CYS A 58 -4.845 5.660 -0.446 1.00 0.00 C ATOM 930 C CYS A 58 -5.427 7.015 -0.057 1.00 0.00 C ATOM 931 O CYS A 58 -6.329 7.095 0.778 1.00 0.00 O ATOM 932 CB CYS A 58 -3.491 5.456 0.231 1.00 0.00 C ATOM 933 SG CYS A 58 -2.838 3.778 0.082 1.00 0.00 S ATOM 0 H CYS A 58 -3.776 5.406 -2.234 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.523 4.878 -0.104 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.773 6.154 -0.200 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.584 5.706 1.288 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.234 3.648 -1.062 1.00 0.00 H new ATOM 939 N ARG A 59 -4.928 8.077 -0.677 1.00 0.00 N ATOM 940 CA ARG A 59 -5.420 9.415 -0.385 1.00 0.00 C ATOM 941 C ARG A 59 -6.838 9.599 -0.924 1.00 0.00 C ATOM 942 O ARG A 59 -7.661 10.276 -0.309 1.00 0.00 O ATOM 943 CB ARG A 59 -4.479 10.482 -0.956 1.00 0.00 C ATOM 944 CG ARG A 59 -4.890 11.899 -0.592 1.00 0.00 C ATOM 945 CD ARG A 59 -3.783 12.908 -0.864 1.00 0.00 C ATOM 946 NE ARG A 59 -3.440 13.011 -2.282 1.00 0.00 N ATOM 947 CZ ARG A 59 -3.729 14.071 -3.039 1.00 0.00 C ATOM 948 NH1 ARG A 59 -4.435 15.078 -2.539 1.00 0.00 N ATOM 949 NH2 ARG A 59 -3.323 14.121 -4.303 1.00 0.00 N ATOM 0 H ARG A 59 -4.189 8.038 -1.379 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.448 9.536 0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.468 10.299 -0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.448 10.387 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.778 12.175 -1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.162 11.937 0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.093 13.887 -0.499 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.894 12.625 -0.300 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.952 12.228 -2.717 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.759 15.043 -1.572 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.654 15.886 -3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.788 13.347 -4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.546 14.933 -4.879 1.00 0.00 H new ATOM 963 N ALA A 60 -7.128 8.979 -2.061 1.00 0.00 N ATOM 964 CA ALA A 60 -8.464 9.044 -2.646 1.00 0.00 C ATOM 965 C ALA A 60 -9.473 8.281 -1.788 1.00 0.00 C ATOM 966 O ALA A 60 -10.661 8.609 -1.765 1.00 0.00 O ATOM 967 CB ALA A 60 -8.451 8.501 -4.065 1.00 0.00 C ATOM 0 H ALA A 60 -6.459 8.426 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.770 10.090 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.455 8.557 -4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.769 9.093 -4.675 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.120 7.463 -4.054 1.00 0.00 H new ATOM 973 N SER A 61 -8.994 7.264 -1.083 1.00 0.00 N ATOM 974 CA SER A 61 -9.829 6.530 -0.143 1.00 0.00 C ATOM 975 C SER A 61 -10.139 7.406 1.065 1.00 0.00 C ATOM 976 O SER A 61 -11.243 7.370 1.606 1.00 0.00 O ATOM 977 CB SER A 61 -9.129 5.245 0.300 1.00 0.00 C ATOM 978 OG SER A 61 -8.794 4.434 -0.814 1.00 0.00 O ATOM 0 H SER A 61 -8.032 6.929 -1.145 1.00 0.00 H new ATOM 0 HA SER A 61 -10.763 6.261 -0.636 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.226 5.493 0.857 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.778 4.689 0.976 1.00 0.00 H new ATOM 0 HG SER A 61 -8.165 4.915 -1.392 1.00 0.00 H new ATOM 984 N LEU A 62 -9.163 8.218 1.462 1.00 0.00 N ATOM 985 CA LEU A 62 -9.348 9.168 2.554 1.00 0.00 C ATOM 986 C LEU A 62 -10.357 10.238 2.151 1.00 0.00 C ATOM 987 O LEU A 62 -11.068 10.788 2.990 1.00 0.00 O ATOM 988 CB LEU A 62 -8.016 9.822 2.928 1.00 0.00 C ATOM 989 CG LEU A 62 -6.929 8.860 3.417 1.00 0.00 C ATOM 990 CD1 LEU A 62 -5.619 9.600 3.624 1.00 0.00 C ATOM 991 CD2 LEU A 62 -7.362 8.177 4.706 1.00 0.00 C ATOM 0 H LEU A 62 -8.234 8.237 1.042 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.727 8.628 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.638 10.360 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.200 10.563 3.706 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.778 8.095 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.858 8.902 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.300 10.045 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.758 10.385 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.578 7.497 5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.540 8.929 5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.279 7.614 4.529 1.00 0.00 H new ATOM 1003 N MET A 63 -10.409 10.517 0.853 1.00 0.00 N ATOM 1004 CA MET A 63 -11.376 11.458 0.296 1.00 0.00 C ATOM 1005 C MET A 63 -12.773 10.843 0.278 1.00 0.00 C ATOM 1006 O MET A 63 -13.768 11.540 0.081 1.00 0.00 O ATOM 1007 CB MET A 63 -10.974 11.864 -1.127 1.00 0.00 C ATOM 1008 CG MET A 63 -9.662 12.629 -1.206 1.00 0.00 C ATOM 1009 SD MET A 63 -9.130 12.929 -2.904 1.00 0.00 S ATOM 1010 CE MET A 63 -10.527 13.849 -3.545 1.00 0.00 C ATOM 0 H MET A 63 -9.787 10.101 0.161 1.00 0.00 H new ATOM 0 HA MET A 63 -11.387 12.345 0.929 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.897 10.967 -1.741 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.766 12.477 -1.556 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.771 13.583 -0.690 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.888 12.069 -0.681 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.175 14.598 -4.254 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.212 13.167 -4.048 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.045 14.343 -2.723 1.00 0.00 H new ATOM 1020 N GLY A 64 -12.830 9.531 0.474 1.00 0.00 N ATOM 1021 CA GLY A 64 -14.099 8.833 0.498 1.00 0.00 C ATOM 1022 C GLY A 64 -14.538 8.387 -0.880 1.00 0.00 C ATOM 1023 O GLY A 64 -15.689 7.997 -1.072 1.00 0.00 O ATOM 0 H GLY A 64 -12.014 8.936 0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.020 7.963 1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.861 9.484 0.926 1.00 0.00 H new ATOM 1027 N ASP A 65 -13.625 8.440 -1.840 1.00 0.00 N ATOM 1028 CA ASP A 65 -13.941 8.068 -3.215 1.00 0.00 C ATOM 1029 C ASP A 65 -13.657 6.600 -3.483 1.00 0.00 C ATOM 1030 O ASP A 65 -14.508 5.882 -4.014 1.00 0.00 O ATOM 1031 CB ASP A 65 -13.164 8.928 -4.212 1.00 0.00 C ATOM 1032 CG ASP A 65 -13.875 10.221 -4.534 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -14.884 10.175 -5.272 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -13.438 11.286 -4.054 1.00 0.00 O ATOM 0 H ASP A 65 -12.660 8.736 -1.694 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.009 8.242 -3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.178 9.151 -3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.009 8.363 -5.131 1.00 0.00 H new ATOM 1039 N VAL A 66 -12.466 6.155 -3.118 1.00 0.00 N ATOM 1040 CA VAL A 66 -12.067 4.779 -3.369 1.00 0.00 C ATOM 1041 C VAL A 66 -12.577 3.867 -2.265 1.00 0.00 C ATOM 1042 O VAL A 66 -12.388 4.143 -1.081 1.00 0.00 O ATOM 1043 CB VAL A 66 -10.533 4.644 -3.494 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -10.117 3.184 -3.636 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -10.022 5.458 -4.671 1.00 0.00 C ATOM 0 H VAL A 66 -11.761 6.723 -2.649 1.00 0.00 H new ATOM 0 HA VAL A 66 -12.511 4.479 -4.318 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.087 5.033 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.032 3.121 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.444 2.625 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.577 2.760 -4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.940 5.352 -4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.485 5.099 -5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.274 6.508 -4.524 1.00 0.00 H new ATOM 1055 N ALA A 67 -13.247 2.797 -2.665 1.00 0.00 N ATOM 1056 CA ALA A 67 -13.762 1.819 -1.726 1.00 0.00 C ATOM 1057 C ALA A 67 -12.633 0.944 -1.197 1.00 0.00 C ATOM 1058 O ALA A 67 -11.597 0.787 -1.850 1.00 0.00 O ATOM 1059 CB ALA A 67 -14.837 0.969 -2.383 1.00 0.00 C ATOM 0 H ALA A 67 -13.447 2.585 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 67 -14.209 2.347 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -15.213 0.240 -1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -15.655 1.609 -2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -14.414 0.448 -3.242 1.00 0.00 H new ATOM 1065 N GLY A 68 -12.854 0.363 -0.023 1.00 0.00 N ATOM 1066 CA GLY A 68 -11.829 -0.423 0.636 1.00 0.00 C ATOM 1067 C GLY A 68 -11.284 -1.544 -0.228 1.00 0.00 C ATOM 1068 O GLY A 68 -10.074 -1.766 -0.265 1.00 0.00 O ATOM 0 H GLY A 68 -13.735 0.424 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.009 0.233 0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.239 -0.847 1.553 1.00 0.00 H new ATOM 1072 N GLU A 69 -12.172 -2.236 -0.934 1.00 0.00 N ATOM 1073 CA GLU A 69 -11.773 -3.364 -1.768 1.00 0.00 C ATOM 1074 C GLU A 69 -10.868 -2.906 -2.903 1.00 0.00 C ATOM 1075 O GLU A 69 -9.803 -3.476 -3.123 1.00 0.00 O ATOM 1076 CB GLU A 69 -13.000 -4.061 -2.348 1.00 0.00 C ATOM 1077 CG GLU A 69 -14.019 -4.487 -1.307 1.00 0.00 C ATOM 1078 CD GLU A 69 -15.213 -5.175 -1.930 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -16.109 -4.471 -2.446 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -15.259 -6.421 -1.916 1.00 0.00 O ATOM 0 H GLU A 69 -13.172 -2.036 -0.945 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.224 -4.065 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.482 -3.392 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.676 -4.940 -2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.546 -5.159 -0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.355 -3.613 -0.750 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.296 -1.860 -3.602 1.00 0.00 N ATOM 1088 CA ILE A 70 -10.550 -1.326 -4.737 1.00 0.00 C ATOM 1089 C ILE A 70 -9.128 -0.957 -4.324 1.00 0.00 C ATOM 1090 O ILE A 70 -8.159 -1.346 -4.978 1.00 0.00 O ATOM 1091 CB ILE A 70 -11.247 -0.080 -5.331 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -12.692 -0.411 -5.719 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -10.474 0.440 -6.537 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -13.474 0.781 -6.232 1.00 0.00 C ATOM 0 H ILE A 70 -12.163 -1.361 -3.400 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.516 -2.106 -5.497 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.264 0.702 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -12.684 -1.186 -6.485 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.206 -0.825 -4.852 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.979 1.317 -6.942 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.463 0.712 -6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.426 -0.336 -7.301 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -14.487 0.469 -6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -13.514 1.550 -5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -12.984 1.183 -7.119 1.00 0.00 H new ATOM 1106 N ALA A 71 -9.017 -0.226 -3.220 1.00 0.00 N ATOM 1107 CA ALA A 71 -7.719 0.196 -2.708 1.00 0.00 C ATOM 1108 C ALA A 71 -6.856 -1.006 -2.338 1.00 0.00 C ATOM 1109 O ALA A 71 -5.658 -1.032 -2.616 1.00 0.00 O ATOM 1110 CB ALA A 71 -7.900 1.107 -1.504 1.00 0.00 C ATOM 0 H ALA A 71 -9.812 0.087 -2.662 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.207 0.748 -3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.923 1.415 -1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.471 1.988 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.435 0.572 -0.720 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.476 -2.007 -1.731 1.00 0.00 N ATOM 1117 CA ARG A 72 -6.757 -3.198 -1.305 1.00 0.00 C ATOM 1118 C ARG A 72 -6.268 -4.007 -2.504 1.00 0.00 C ATOM 1119 O ARG A 72 -5.082 -4.322 -2.599 1.00 0.00 O ATOM 1120 CB ARG A 72 -7.639 -4.065 -0.404 1.00 0.00 C ATOM 1121 CG ARG A 72 -7.100 -5.470 -0.203 1.00 0.00 C ATOM 1122 CD ARG A 72 -7.939 -6.254 0.788 1.00 0.00 C ATOM 1123 NE ARG A 72 -7.802 -7.693 0.592 1.00 0.00 N ATOM 1124 CZ ARG A 72 -7.431 -8.553 1.534 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -7.055 -8.120 2.734 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -7.422 -9.850 1.264 1.00 0.00 N ATOM 0 H ARG A 72 -8.474 -2.018 -1.523 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.885 -2.875 -0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.740 -3.581 0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.638 -4.126 -0.836 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.082 -5.993 -1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.071 -5.418 0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.639 -5.995 1.803 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.986 -5.971 0.683 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.006 -8.066 -0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.050 -7.120 2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.772 -8.788 3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.698 -10.180 0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.139 -10.518 1.981 1.00 0.00 H new ATOM 1140 N THR A 73 -7.174 -4.325 -3.422 1.00 0.00 N ATOM 1141 CA THR A 73 -6.836 -5.136 -4.586 1.00 0.00 C ATOM 1142 C THR A 73 -5.735 -4.477 -5.421 1.00 0.00 C ATOM 1143 O THR A 73 -4.830 -5.149 -5.917 1.00 0.00 O ATOM 1144 CB THR A 73 -8.077 -5.380 -5.464 1.00 0.00 C ATOM 1145 OG1 THR A 73 -9.155 -5.867 -4.652 1.00 0.00 O ATOM 1146 CG2 THR A 73 -7.775 -6.389 -6.563 1.00 0.00 C ATOM 0 H THR A 73 -8.150 -4.033 -3.382 1.00 0.00 H new ATOM 0 HA THR A 73 -6.467 -6.094 -4.219 1.00 0.00 H new ATOM 0 HB THR A 73 -8.360 -4.435 -5.928 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.571 -5.118 -4.177 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.667 -6.544 -7.170 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.969 -6.011 -7.193 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.472 -7.335 -6.115 1.00 0.00 H new ATOM 1154 N ALA A 74 -5.800 -3.159 -5.551 1.00 0.00 N ATOM 1155 CA ALA A 74 -4.792 -2.419 -6.297 1.00 0.00 C ATOM 1156 C ALA A 74 -3.455 -2.421 -5.559 1.00 0.00 C ATOM 1157 O ALA A 74 -2.391 -2.423 -6.182 1.00 0.00 O ATOM 1158 CB ALA A 74 -5.259 -0.999 -6.556 1.00 0.00 C ATOM 0 H ALA A 74 -6.539 -2.581 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.647 -2.915 -7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.493 -0.460 -7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.183 -1.020 -7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.437 -0.495 -5.606 1.00 0.00 H new ATOM 1164 N PHE A 75 -3.513 -2.436 -4.231 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.306 -2.479 -3.419 1.00 0.00 C ATOM 1166 C PHE A 75 -1.672 -3.866 -3.508 1.00 0.00 C ATOM 1167 O PHE A 75 -0.453 -4.011 -3.414 1.00 0.00 O ATOM 1168 CB PHE A 75 -2.619 -2.126 -1.961 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.396 -1.858 -1.127 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -0.853 -0.586 -1.067 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -0.793 -2.874 -0.403 1.00 0.00 C ATOM 1172 CE1 PHE A 75 0.271 -0.331 -0.305 1.00 0.00 C ATOM 1173 CE2 PHE A 75 0.333 -2.626 0.360 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.864 -1.352 0.412 1.00 0.00 C ATOM 0 H PHE A 75 -4.382 -2.419 -3.697 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.601 -1.741 -3.801 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.262 -1.246 -1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.182 -2.944 -1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.314 0.217 -1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.207 -3.871 -0.435 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.686 0.666 -0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.797 -3.428 0.915 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.740 -1.155 1.012 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.509 -4.882 -3.693 1.00 0.00 N ATOM 1185 CA VAL A 76 -2.032 -6.243 -3.908 1.00 0.00 C ATOM 1186 C VAL A 76 -1.205 -6.312 -5.190 1.00 0.00 C ATOM 1187 O VAL A 76 -0.145 -6.937 -5.230 1.00 0.00 O ATOM 1188 CB VAL A 76 -3.205 -7.250 -3.983 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -2.703 -8.652 -4.293 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -3.992 -7.248 -2.683 1.00 0.00 C ATOM 0 H VAL A 76 -3.525 -4.787 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.408 -6.516 -3.057 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.864 -6.938 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.548 -9.339 -4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.184 -8.649 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.017 -8.974 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.813 -7.962 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.336 -7.530 -1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.393 -6.251 -2.502 1.00 0.00 H new ATOM 1200 N ALA A 77 -1.686 -5.644 -6.233 1.00 0.00 N ATOM 1201 CA ALA A 77 -0.961 -5.568 -7.494 1.00 0.00 C ATOM 1202 C ALA A 77 0.336 -4.780 -7.320 1.00 0.00 C ATOM 1203 O ALA A 77 1.366 -5.120 -7.905 1.00 0.00 O ATOM 1204 CB ALA A 77 -1.833 -4.934 -8.568 1.00 0.00 C ATOM 0 H ALA A 77 -2.577 -5.147 -6.229 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.706 -6.580 -7.809 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.278 -4.884 -9.505 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.731 -5.536 -8.710 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.116 -3.928 -8.260 1.00 0.00 H new ATOM 1210 N ALA A 78 0.279 -3.737 -6.501 1.00 0.00 N ATOM 1211 CA ALA A 78 1.446 -2.909 -6.232 1.00 0.00 C ATOM 1212 C ALA A 78 2.509 -3.687 -5.457 1.00 0.00 C ATOM 1213 O ALA A 78 3.686 -3.662 -5.810 1.00 0.00 O ATOM 1214 CB ALA A 78 1.040 -1.655 -5.470 1.00 0.00 C ATOM 0 H ALA A 78 -0.566 -3.445 -6.011 1.00 0.00 H new ATOM 0 HA ALA A 78 1.879 -2.614 -7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.923 -1.046 -5.276 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.327 -1.083 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.579 -1.938 -4.524 1.00 0.00 H new ATOM 1220 N SER A 79 2.083 -4.394 -4.414 1.00 0.00 N ATOM 1221 CA SER A 79 3.000 -5.179 -3.593 1.00 0.00 C ATOM 1222 C SER A 79 3.513 -6.395 -4.363 1.00 0.00 C ATOM 1223 O SER A 79 4.579 -6.937 -4.056 1.00 0.00 O ATOM 1224 CB SER A 79 2.315 -5.603 -2.291 1.00 0.00 C ATOM 1225 OG SER A 79 1.056 -6.202 -2.543 1.00 0.00 O ATOM 0 H SER A 79 1.108 -4.439 -4.117 1.00 0.00 H new ATOM 0 HA SER A 79 3.860 -4.557 -3.342 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.953 -6.305 -1.754 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.184 -4.734 -1.647 1.00 0.00 H new ATOM 0 HG SER A 79 0.391 -5.504 -2.720 1.00 0.00 H new ATOM 1231 N ARG A 80 2.749 -6.812 -5.369 1.00 0.00 N ATOM 1232 CA ARG A 80 3.168 -7.877 -6.272 1.00 0.00 C ATOM 1233 C ARG A 80 4.434 -7.464 -7.017 1.00 0.00 C ATOM 1234 O ARG A 80 5.384 -8.241 -7.130 1.00 0.00 O ATOM 1235 CB ARG A 80 2.054 -8.192 -7.276 1.00 0.00 C ATOM 1236 CG ARG A 80 2.422 -9.264 -8.290 1.00 0.00 C ATOM 1237 CD ARG A 80 1.341 -9.423 -9.347 1.00 0.00 C ATOM 1238 NE ARG A 80 1.152 -8.199 -10.130 1.00 0.00 N ATOM 1239 CZ ARG A 80 0.135 -7.995 -10.967 1.00 0.00 C ATOM 1240 NH1 ARG A 80 -0.785 -8.933 -11.143 1.00 0.00 N ATOM 1241 NH2 ARG A 80 0.045 -6.848 -11.631 1.00 0.00 N ATOM 0 H ARG A 80 1.829 -6.424 -5.579 1.00 0.00 H new ATOM 0 HA ARG A 80 3.375 -8.771 -5.683 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.166 -8.512 -6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.789 -7.278 -7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.366 -9.005 -8.769 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.575 -10.214 -7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.605 -10.243 -10.015 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.401 -9.694 -8.866 1.00 0.00 H new ATOM 0 HE ARG A 80 1.843 -7.456 -10.028 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.717 -9.816 -10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.561 -8.772 -11.785 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.753 -6.126 -11.500 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.732 -6.689 -12.272 1.00 0.00 H new ATOM 1255 N GLN A 81 4.438 -6.231 -7.508 1.00 0.00 N ATOM 1256 CA GLN A 81 5.584 -5.697 -8.231 1.00 0.00 C ATOM 1257 C GLN A 81 6.680 -5.291 -7.250 1.00 0.00 C ATOM 1258 O GLN A 81 7.861 -5.252 -7.598 1.00 0.00 O ATOM 1259 CB GLN A 81 5.165 -4.489 -9.078 1.00 0.00 C ATOM 1260 CG GLN A 81 6.217 -4.051 -10.086 1.00 0.00 C ATOM 1261 CD GLN A 81 5.807 -2.817 -10.867 1.00 0.00 C ATOM 1262 OE1 GLN A 81 4.620 -2.565 -11.078 1.00 0.00 O ATOM 1263 NE2 GLN A 81 6.789 -2.048 -11.316 1.00 0.00 N ATOM 0 H GLN A 81 3.657 -5.581 -7.418 1.00 0.00 H new ATOM 0 HA GLN A 81 5.970 -6.472 -8.893 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.245 -4.731 -9.609 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.940 -3.653 -8.416 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.152 -3.850 -9.564 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.409 -4.868 -10.781 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.759 -2.293 -11.119 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.574 -1.211 -11.859 1.00 0.00 H new ATOM 1272 N ALA A 82 6.270 -4.992 -6.024 1.00 0.00 N ATOM 1273 CA ALA A 82 7.191 -4.579 -4.975 1.00 0.00 C ATOM 1274 C ALA A 82 8.160 -5.697 -4.614 1.00 0.00 C ATOM 1275 O ALA A 82 9.377 -5.525 -4.705 1.00 0.00 O ATOM 1276 CB ALA A 82 6.416 -4.138 -3.747 1.00 0.00 C ATOM 0 H ALA A 82 5.294 -5.029 -5.730 1.00 0.00 H new ATOM 0 HA ALA A 82 7.776 -3.740 -5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.113 -3.831 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.769 -3.300 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.808 -4.966 -3.384 1.00 0.00 H new ATOM 1282 N HIS A 83 7.620 -6.843 -4.201 1.00 0.00 N ATOM 1283 CA HIS A 83 8.446 -7.977 -3.815 1.00 0.00 C ATOM 1284 C HIS A 83 7.590 -9.208 -3.537 1.00 0.00 C ATOM 1285 O HIS A 83 7.795 -10.264 -4.135 1.00 0.00 O ATOM 1286 CB HIS A 83 9.282 -7.648 -2.574 1.00 0.00 C ATOM 1287 CG HIS A 83 10.596 -8.358 -2.558 1.00 0.00 C ATOM 1288 ND1 HIS A 83 10.989 -9.229 -1.565 1.00 0.00 N ATOM 1289 CD2 HIS A 83 11.616 -8.306 -3.436 1.00 0.00 C ATOM 1290 CE1 HIS A 83 12.200 -9.680 -1.836 1.00 0.00 C ATOM 1291 NE2 HIS A 83 12.605 -9.135 -2.968 1.00 0.00 N ATOM 0 H HIS A 83 6.616 -7.007 -4.127 1.00 0.00 H new ATOM 0 HA HIS A 83 9.115 -8.191 -4.649 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.454 -6.573 -2.532 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.718 -7.916 -1.680 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.650 -7.720 -4.342 1.00 0.00 H new ATOM 0 HE1 HIS A 83 12.764 -10.377 -1.233 1.00 0.00 H new ATOM 0 HE2 HIS A 83 13.504 -9.302 -3.420 1.00 0.00 H new ATOM 1300 N CYS A 84 6.628 -9.066 -2.637 1.00 0.00 N ATOM 1301 CA CYS A 84 5.821 -10.191 -2.206 1.00 0.00 C ATOM 1302 C CYS A 84 4.469 -9.717 -1.692 1.00 0.00 C ATOM 1303 O CYS A 84 4.349 -9.227 -0.568 1.00 0.00 O ATOM 1304 CB CYS A 84 6.543 -10.994 -1.120 1.00 0.00 C ATOM 1305 SG CYS A 84 5.680 -12.503 -0.618 1.00 0.00 S ATOM 0 H CYS A 84 6.389 -8.180 -2.192 1.00 0.00 H new ATOM 0 HA CYS A 84 5.660 -10.838 -3.068 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.537 -11.260 -1.480 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.680 -10.359 -0.245 1.00 0.00 H new ATOM 0 HG CYS A 84 4.777 -12.211 0.271 1.00 0.00 H new ATOM 1311 N LEU A 85 3.473 -9.822 -2.553 1.00 0.00 N ATOM 1312 CA LEU A 85 2.089 -9.571 -2.175 1.00 0.00 C ATOM 1313 C LEU A 85 1.638 -10.602 -1.144 1.00 0.00 C ATOM 1314 O LEU A 85 2.037 -11.766 -1.211 1.00 0.00 O ATOM 1315 CB LEU A 85 1.165 -9.623 -3.405 1.00 0.00 C ATOM 1316 CG LEU A 85 1.035 -10.988 -4.103 1.00 0.00 C ATOM 1317 CD1 LEU A 85 -0.148 -10.981 -5.056 1.00 0.00 C ATOM 1318 CD2 LEU A 85 2.304 -11.342 -4.868 1.00 0.00 C ATOM 0 H LEU A 85 3.597 -10.083 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 85 2.027 -8.573 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.170 -9.299 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.526 -8.899 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 85 0.877 -11.741 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.228 -11.953 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.063 -10.777 -4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.003 -10.208 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.180 -12.312 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.496 -10.582 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.146 -11.385 -4.177 1.00 0.00 H new ATOM 1330 N MET A 86 0.829 -10.177 -0.188 1.00 0.00 N ATOM 1331 CA MET A 86 0.354 -11.078 0.853 1.00 0.00 C ATOM 1332 C MET A 86 -1.156 -10.994 0.994 1.00 0.00 C ATOM 1333 O MET A 86 -1.798 -10.122 0.413 1.00 0.00 O ATOM 1334 CB MET A 86 1.012 -10.769 2.198 1.00 0.00 C ATOM 1335 CG MET A 86 2.495 -11.084 2.243 1.00 0.00 C ATOM 1336 SD MET A 86 2.847 -12.836 1.995 1.00 0.00 S ATOM 1337 CE MET A 86 2.001 -13.561 3.399 1.00 0.00 C ATOM 0 H MET A 86 0.488 -9.219 -0.110 1.00 0.00 H new ATOM 0 HA MET A 86 0.628 -12.090 0.555 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.868 -9.713 2.428 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.506 -11.338 2.978 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.008 -10.503 1.477 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.899 -10.770 3.205 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.391 -14.562 3.581 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.164 -12.942 4.281 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.933 -13.620 3.189 1.00 0.00 H new