USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 424 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 36 ASN : amide:sc= -0.366 K(o=-0.59,f=-18!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0958 USER MOD Single : A 20 THR OG1 : rot -113:sc= -1.3 USER MOD Single : A 23 CYS SG : rot -170:sc= -0.97 USER MOD Single : A 27 THR OG1 : rot -140:sc= -0.244 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.569 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 36:sc= 0.974 USER MOD Single : A 43 MET CE :methyl -161:sc= -1.88! (180deg=-4.32!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -2.65! C(o=-2.6!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 11 -5.456 -10.134 -6.354 1.00 0.00 N ATOM 121 CA PRO A 11 -6.602 -9.742 -5.529 1.00 0.00 C ATOM 122 C PRO A 11 -7.733 -10.764 -5.585 1.00 0.00 C ATOM 123 O PRO A 11 -7.828 -11.548 -6.529 1.00 0.00 O ATOM 124 CB PRO A 11 -7.049 -8.415 -6.149 1.00 0.00 C ATOM 125 CG PRO A 11 -6.581 -8.481 -7.562 1.00 0.00 C ATOM 126 CD PRO A 11 -5.302 -9.272 -7.538 1.00 0.00 C ATOM 0 HA PRO A 11 -6.338 -9.667 -4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.131 -8.298 -6.095 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.610 -7.566 -5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.325 -8.961 -8.198 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.415 -7.482 -7.965 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.175 -9.858 -8.448 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.430 -8.624 -7.452 1.00 0.00 H new ATOM 134 N VAL A 12 -8.589 -10.749 -4.568 1.00 0.00 N ATOM 135 CA VAL A 12 -9.714 -11.673 -4.502 1.00 0.00 C ATOM 136 C VAL A 12 -11.036 -10.946 -4.720 1.00 0.00 C ATOM 137 O VAL A 12 -12.009 -11.533 -5.193 1.00 0.00 O ATOM 138 CB VAL A 12 -9.761 -12.405 -3.148 1.00 0.00 C ATOM 139 CG1 VAL A 12 -8.560 -13.327 -2.997 1.00 0.00 C ATOM 140 CG2 VAL A 12 -9.823 -11.405 -2.004 1.00 0.00 C ATOM 0 H VAL A 12 -8.524 -10.107 -3.778 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.569 -12.404 -5.297 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.663 -13.015 -3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.610 -13.836 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.565 -14.066 -3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.642 -12.741 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.856 -11.940 -1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.940 -10.766 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.718 -10.791 -2.106 1.00 0.00 H new ATOM 150 N ALA A 13 -11.064 -9.663 -4.372 1.00 0.00 N ATOM 151 CA ALA A 13 -12.266 -8.854 -4.532 1.00 0.00 C ATOM 152 C ALA A 13 -11.916 -7.381 -4.713 1.00 0.00 C ATOM 153 O ALA A 13 -10.905 -6.903 -4.195 1.00 0.00 O ATOM 154 CB ALA A 13 -13.188 -9.037 -3.336 1.00 0.00 C ATOM 0 H ALA A 13 -10.268 -9.162 -3.978 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.784 -9.190 -5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.082 -8.427 -3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.473 -10.086 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.671 -8.729 -2.427 1.00 0.00 H new ATOM 160 N THR A 14 -12.756 -6.664 -5.452 1.00 0.00 N ATOM 161 CA THR A 14 -12.535 -5.245 -5.702 1.00 0.00 C ATOM 162 C THR A 14 -13.845 -4.467 -5.653 1.00 0.00 C ATOM 163 O THR A 14 -14.784 -4.768 -6.389 1.00 0.00 O ATOM 164 CB THR A 14 -11.864 -5.014 -7.069 1.00 0.00 C ATOM 165 OG1 THR A 14 -10.775 -5.928 -7.241 1.00 0.00 O ATOM 166 CG2 THR A 14 -11.356 -3.585 -7.188 1.00 0.00 C ATOM 0 H THR A 14 -13.596 -7.043 -5.888 1.00 0.00 H new ATOM 0 HA THR A 14 -11.873 -4.885 -4.915 1.00 0.00 H new ATOM 0 HB THR A 14 -12.608 -5.185 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.355 -5.776 -8.113 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.886 -3.446 -8.162 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.191 -2.892 -7.086 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.626 -3.392 -6.402 1.00 0.00 H new ATOM 174 N ALA A 15 -13.900 -3.465 -4.782 1.00 0.00 N ATOM 175 CA ALA A 15 -15.095 -2.642 -4.640 1.00 0.00 C ATOM 176 C ALA A 15 -14.743 -1.158 -4.642 1.00 0.00 C ATOM 177 O ALA A 15 -13.936 -0.686 -3.841 1.00 0.00 O ATOM 178 CB ALA A 15 -15.839 -3.007 -3.365 1.00 0.00 C ATOM 0 H ALA A 15 -13.132 -3.204 -4.164 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.743 -2.837 -5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.729 -2.385 -3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.132 -4.056 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.190 -2.842 -2.505 1.00 0.00 H new ATOM 184 N PRO A 16 -15.360 -0.404 -5.564 1.00 0.00 N ATOM 185 CA PRO A 16 -15.126 1.038 -5.692 1.00 0.00 C ATOM 186 C PRO A 16 -15.703 1.825 -4.520 1.00 0.00 C ATOM 187 O PRO A 16 -16.876 1.676 -4.178 1.00 0.00 O ATOM 188 CB PRO A 16 -15.854 1.401 -6.989 1.00 0.00 C ATOM 189 CG PRO A 16 -16.910 0.360 -7.135 1.00 0.00 C ATOM 190 CD PRO A 16 -16.333 -0.900 -6.551 1.00 0.00 C ATOM 0 HA PRO A 16 -14.063 1.279 -5.701 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.288 2.400 -6.933 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.173 1.396 -7.840 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.820 0.652 -6.611 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.176 0.218 -8.182 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.102 -1.515 -6.083 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.854 -1.514 -7.314 1.00 0.00 H new ATOM 198 N ILE A 17 -14.871 2.662 -3.910 1.00 0.00 N ATOM 199 CA ILE A 17 -15.299 3.473 -2.777 1.00 0.00 C ATOM 200 C ILE A 17 -16.188 4.626 -3.231 1.00 0.00 C ATOM 201 O ILE A 17 -15.914 5.300 -4.224 1.00 0.00 O ATOM 202 CB ILE A 17 -14.094 4.043 -2.005 1.00 0.00 C ATOM 203 CG1 ILE A 17 -13.199 2.908 -1.504 1.00 0.00 C ATOM 204 CG2 ILE A 17 -14.568 4.903 -0.843 1.00 0.00 C ATOM 205 CD1 ILE A 17 -12.316 3.303 -0.341 1.00 0.00 C ATOM 0 H ILE A 17 -13.897 2.796 -4.181 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.866 2.817 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.511 4.669 -2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.825 2.067 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.571 2.562 -2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.705 5.298 -0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -15.169 5.729 -1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.170 4.298 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.709 2.449 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.664 4.123 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.937 3.621 0.496 1.00 0.00 H new ATOM 217 N PRO A 18 -17.280 4.859 -2.488 1.00 0.00 N ATOM 218 CA PRO A 18 -18.231 5.932 -2.793 1.00 0.00 C ATOM 219 C PRO A 18 -17.644 7.317 -2.542 1.00 0.00 C ATOM 220 O PRO A 18 -17.189 7.618 -1.440 1.00 0.00 O ATOM 221 CB PRO A 18 -19.391 5.662 -1.832 1.00 0.00 C ATOM 222 CG PRO A 18 -18.777 4.919 -0.696 1.00 0.00 C ATOM 223 CD PRO A 18 -17.669 4.095 -1.291 1.00 0.00 C ATOM 0 HA PRO A 18 -18.521 5.932 -3.844 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.850 6.591 -1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -20.174 5.075 -2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.391 5.606 0.057 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.513 4.285 -0.201 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.835 3.982 -0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -18.008 3.091 -1.548 1.00 0.00 H new ATOM 231 N GLY A 19 -17.657 8.156 -3.573 1.00 0.00 N ATOM 232 CA GLY A 19 -17.123 9.499 -3.443 1.00 0.00 C ATOM 233 C GLY A 19 -15.693 9.605 -3.935 1.00 0.00 C ATOM 234 O GLY A 19 -15.377 10.447 -4.776 1.00 0.00 O ATOM 0 H GLY A 19 -18.028 7.930 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.750 10.192 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.168 9.805 -2.398 1.00 0.00 H new ATOM 238 N THR A 20 -14.823 8.748 -3.408 1.00 0.00 N ATOM 239 CA THR A 20 -13.418 8.750 -3.795 1.00 0.00 C ATOM 240 C THR A 20 -13.153 7.742 -4.907 1.00 0.00 C ATOM 241 O THR A 20 -13.801 6.699 -5.000 1.00 0.00 O ATOM 242 CB THR A 20 -12.504 8.429 -2.597 1.00 0.00 C ATOM 243 OG1 THR A 20 -12.270 7.018 -2.525 1.00 0.00 O ATOM 244 CG2 THR A 20 -13.127 8.913 -1.297 1.00 0.00 C ATOM 0 H THR A 20 -15.068 8.044 -2.712 1.00 0.00 H new ATOM 0 HA THR A 20 -13.191 9.753 -4.156 1.00 0.00 H new ATOM 0 HB THR A 20 -11.556 8.947 -2.741 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.692 6.657 -1.718 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.464 8.675 -0.465 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.277 9.992 -1.345 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.087 8.419 -1.148 1.00 0.00 H new ATOM 252 N PRO A 21 -12.177 8.056 -5.772 1.00 0.00 N ATOM 253 CA PRO A 21 -11.803 7.189 -6.893 1.00 0.00 C ATOM 254 C PRO A 21 -11.116 5.909 -6.431 1.00 0.00 C ATOM 255 O PRO A 21 -10.797 5.037 -7.240 1.00 0.00 O ATOM 256 CB PRO A 21 -10.834 8.054 -7.703 1.00 0.00 C ATOM 257 CG PRO A 21 -10.267 9.013 -6.715 1.00 0.00 C ATOM 258 CD PRO A 21 -11.363 9.282 -5.722 1.00 0.00 C ATOM 0 HA PRO A 21 -12.673 6.856 -7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.052 7.449 -8.162 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.348 8.575 -8.510 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.389 8.593 -6.223 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.949 9.934 -7.204 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.965 9.460 -4.723 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.945 10.162 -5.995 1.00 0.00 H new ATOM 266 N TRP A 22 -10.890 5.801 -5.126 1.00 0.00 N ATOM 267 CA TRP A 22 -10.240 4.626 -4.557 1.00 0.00 C ATOM 268 C TRP A 22 -11.169 3.418 -4.597 1.00 0.00 C ATOM 269 O TRP A 22 -12.392 3.563 -4.595 1.00 0.00 O ATOM 270 CB TRP A 22 -9.808 4.905 -3.117 1.00 0.00 C ATOM 271 CG TRP A 22 -8.649 5.850 -3.017 1.00 0.00 C ATOM 272 CD1 TRP A 22 -8.709 7.206 -2.866 1.00 0.00 C ATOM 273 CD2 TRP A 22 -7.259 5.510 -3.063 1.00 0.00 C ATOM 274 NE1 TRP A 22 -7.439 7.730 -2.815 1.00 0.00 N ATOM 275 CE2 TRP A 22 -6.532 6.710 -2.933 1.00 0.00 C ATOM 276 CE3 TRP A 22 -6.558 4.309 -3.199 1.00 0.00 C ATOM 277 CZ2 TRP A 22 -5.140 6.741 -2.937 1.00 0.00 C ATOM 278 CZ3 TRP A 22 -5.176 4.341 -3.202 1.00 0.00 C ATOM 279 CH2 TRP A 22 -4.479 5.550 -3.071 1.00 0.00 C ATOM 0 H TRP A 22 -11.147 6.513 -4.442 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.358 4.403 -5.157 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.653 5.318 -2.565 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.543 3.964 -2.636 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.620 7.782 -2.797 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.209 8.718 -2.707 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -7.086 3.373 -3.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -4.601 7.672 -2.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.624 3.419 -3.307 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.399 5.542 -3.076 1.00 0.00 H new ATOM 290 N CYS A 23 -10.582 2.227 -4.634 1.00 0.00 N ATOM 291 CA CYS A 23 -11.358 0.992 -4.675 1.00 0.00 C ATOM 292 C CYS A 23 -10.756 -0.059 -3.749 1.00 0.00 C ATOM 293 O CYS A 23 -9.639 -0.529 -3.968 1.00 0.00 O ATOM 294 CB CYS A 23 -11.422 0.453 -6.105 1.00 0.00 C ATOM 295 SG CYS A 23 -11.936 1.677 -7.333 1.00 0.00 S ATOM 0 H CYS A 23 -9.571 2.090 -4.636 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.369 1.215 -4.333 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.440 0.067 -6.381 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.115 -0.388 -6.134 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.163 1.085 -8.468 1.00 0.00 H new ATOM 301 N VAL A 24 -11.503 -0.424 -2.711 1.00 0.00 N ATOM 302 CA VAL A 24 -11.043 -1.419 -1.750 1.00 0.00 C ATOM 303 C VAL A 24 -10.864 -2.781 -2.413 1.00 0.00 C ATOM 304 O VAL A 24 -11.837 -3.421 -2.814 1.00 0.00 O ATOM 305 CB VAL A 24 -12.026 -1.559 -0.573 1.00 0.00 C ATOM 306 CG1 VAL A 24 -11.477 -2.520 0.470 1.00 0.00 C ATOM 307 CG2 VAL A 24 -12.315 -0.198 0.044 1.00 0.00 C ATOM 0 H VAL A 24 -12.429 -0.045 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.081 -1.073 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.963 -1.968 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.185 -2.606 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.326 -3.500 0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.526 -2.143 0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.011 -0.315 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.386 0.241 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.755 0.457 -0.708 1.00 0.00 H new ATOM 317 N VAL A 25 -9.614 -3.219 -2.524 1.00 0.00 N ATOM 318 CA VAL A 25 -9.307 -4.506 -3.137 1.00 0.00 C ATOM 319 C VAL A 25 -8.699 -5.467 -2.122 1.00 0.00 C ATOM 320 O VAL A 25 -7.728 -5.134 -1.442 1.00 0.00 O ATOM 321 CB VAL A 25 -8.336 -4.346 -4.322 1.00 0.00 C ATOM 322 CG1 VAL A 25 -8.151 -5.673 -5.043 1.00 0.00 C ATOM 323 CG2 VAL A 25 -8.837 -3.275 -5.279 1.00 0.00 C ATOM 0 H VAL A 25 -8.798 -2.702 -2.198 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.249 -4.916 -3.502 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.366 -4.031 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.462 -5.541 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.745 -6.410 -4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.113 -6.020 -5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.139 -3.175 -6.110 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.818 -3.558 -5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.913 -2.324 -4.753 1.00 0.00 H new ATOM 333 N TRP A 26 -9.275 -6.659 -2.025 1.00 0.00 N ATOM 334 CA TRP A 26 -8.789 -7.669 -1.092 1.00 0.00 C ATOM 335 C TRP A 26 -7.820 -8.624 -1.780 1.00 0.00 C ATOM 336 O TRP A 26 -7.744 -8.670 -3.009 1.00 0.00 O ATOM 337 CB TRP A 26 -9.961 -8.452 -0.499 1.00 0.00 C ATOM 338 CG TRP A 26 -10.819 -7.634 0.418 1.00 0.00 C ATOM 339 CD1 TRP A 26 -10.778 -7.621 1.783 1.00 0.00 C ATOM 340 CD2 TRP A 26 -11.845 -6.712 0.037 1.00 0.00 C ATOM 341 NE1 TRP A 26 -11.717 -6.747 2.273 1.00 0.00 N ATOM 342 CE2 TRP A 26 -12.384 -6.175 1.222 1.00 0.00 C ATOM 343 CE3 TRP A 26 -12.359 -6.286 -1.190 1.00 0.00 C ATOM 344 CZ2 TRP A 26 -13.412 -5.236 1.213 1.00 0.00 C ATOM 345 CZ3 TRP A 26 -13.380 -5.354 -1.198 1.00 0.00 C ATOM 346 CH2 TRP A 26 -13.897 -4.837 -0.002 1.00 0.00 C ATOM 0 H TRP A 26 -10.079 -6.950 -2.581 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.258 -7.159 -0.288 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -10.577 -8.841 -1.310 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -9.574 -9.312 0.048 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -10.106 -8.211 2.388 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -11.890 -6.555 3.260 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.966 -6.678 -2.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -13.812 -4.837 2.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -13.786 -5.019 -2.141 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.694 -4.109 -0.041 1.00 0.00 H new ATOM 357 N THR A 27 -7.080 -9.388 -0.982 1.00 0.00 N ATOM 358 CA THR A 27 -6.115 -10.341 -1.515 1.00 0.00 C ATOM 359 C THR A 27 -6.340 -11.733 -0.935 1.00 0.00 C ATOM 360 O THR A 27 -7.219 -11.933 -0.098 1.00 0.00 O ATOM 361 CB THR A 27 -4.669 -9.902 -1.218 1.00 0.00 C ATOM 362 OG1 THR A 27 -4.523 -9.604 0.175 1.00 0.00 O ATOM 363 CG2 THR A 27 -4.293 -8.682 -2.045 1.00 0.00 C ATOM 0 H THR A 27 -7.131 -9.365 0.036 1.00 0.00 H new ATOM 0 HA THR A 27 -6.263 -10.371 -2.594 1.00 0.00 H new ATOM 0 HB THR A 27 -4.002 -10.722 -1.485 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.957 -8.811 0.282 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.267 -8.391 -1.818 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.376 -8.921 -3.105 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.966 -7.859 -1.805 1.00 0.00 H new ATOM 371 N GLY A 28 -5.539 -12.694 -1.386 1.00 0.00 N ATOM 372 CA GLY A 28 -5.667 -14.055 -0.901 1.00 0.00 C ATOM 373 C GLY A 28 -5.078 -14.235 0.484 1.00 0.00 C ATOM 374 O GLY A 28 -5.419 -15.181 1.193 1.00 0.00 O ATOM 0 H GLY A 28 -4.804 -12.554 -2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.721 -14.333 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.170 -14.733 -1.595 1.00 0.00 H new ATOM 378 N ASP A 29 -4.189 -13.325 0.870 1.00 0.00 N ATOM 379 CA ASP A 29 -3.550 -13.388 2.179 1.00 0.00 C ATOM 380 C ASP A 29 -4.386 -12.660 3.227 1.00 0.00 C ATOM 381 O ASP A 29 -3.852 -11.935 4.066 1.00 0.00 O ATOM 382 CB ASP A 29 -2.148 -12.781 2.115 1.00 0.00 C ATOM 383 CG ASP A 29 -1.202 -13.400 3.126 1.00 0.00 C ATOM 384 OD1 ASP A 29 -0.674 -14.497 2.849 1.00 0.00 O ATOM 385 OD2 ASP A 29 -0.991 -12.787 4.194 1.00 0.00 O ATOM 0 H ASP A 29 -3.895 -12.536 0.295 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.471 -14.436 2.468 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.742 -12.916 1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.212 -11.707 2.291 1.00 0.00 H new ATOM 390 N GLU A 30 -5.699 -12.857 3.171 1.00 0.00 N ATOM 391 CA GLU A 30 -6.608 -12.217 4.115 1.00 0.00 C ATOM 392 C GLU A 30 -6.203 -10.767 4.363 1.00 0.00 C ATOM 393 O GLU A 30 -6.209 -10.296 5.500 1.00 0.00 O ATOM 394 CB GLU A 30 -6.629 -12.986 5.438 1.00 0.00 C ATOM 395 CG GLU A 30 -7.401 -14.293 5.370 1.00 0.00 C ATOM 396 CD GLU A 30 -7.834 -14.786 6.737 1.00 0.00 C ATOM 397 OE1 GLU A 30 -8.334 -13.965 7.534 1.00 0.00 O ATOM 398 OE2 GLU A 30 -7.673 -15.994 7.010 1.00 0.00 O ATOM 0 H GLU A 30 -6.157 -13.454 2.483 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.608 -12.227 3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.604 -13.195 5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.069 -12.354 6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.281 -14.159 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.781 -15.052 4.893 1.00 0.00 H new ATOM 405 N ARG A 31 -5.850 -10.066 3.290 1.00 0.00 N ATOM 406 CA ARG A 31 -5.440 -8.671 3.390 1.00 0.00 C ATOM 407 C ARG A 31 -6.231 -7.800 2.419 1.00 0.00 C ATOM 408 O ARG A 31 -6.871 -8.305 1.496 1.00 0.00 O ATOM 409 CB ARG A 31 -3.942 -8.536 3.109 1.00 0.00 C ATOM 410 CG ARG A 31 -3.076 -8.658 4.352 1.00 0.00 C ATOM 411 CD ARG A 31 -2.933 -7.322 5.065 1.00 0.00 C ATOM 412 NE ARG A 31 -2.542 -7.487 6.462 1.00 0.00 N ATOM 413 CZ ARG A 31 -2.741 -6.562 7.395 1.00 0.00 C ATOM 414 NH1 ARG A 31 -3.323 -5.413 7.080 1.00 0.00 N ATOM 415 NH2 ARG A 31 -2.357 -6.785 8.645 1.00 0.00 N ATOM 0 H ARG A 31 -5.840 -10.442 2.342 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.645 -8.331 4.405 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.645 -9.302 2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.755 -7.570 2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.514 -9.389 5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.090 -9.031 4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.190 -6.714 4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.878 -6.781 5.014 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.092 -8.360 6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.619 -5.238 6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.475 -4.704 7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.908 -7.667 8.891 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.510 -6.074 9.360 1.00 0.00 H new ATOM 429 N VAL A 32 -6.183 -6.489 2.633 1.00 0.00 N ATOM 430 CA VAL A 32 -6.895 -5.548 1.776 1.00 0.00 C ATOM 431 C VAL A 32 -6.081 -4.277 1.561 1.00 0.00 C ATOM 432 O VAL A 32 -5.486 -3.741 2.497 1.00 0.00 O ATOM 433 CB VAL A 32 -8.265 -5.172 2.372 1.00 0.00 C ATOM 434 CG1 VAL A 32 -8.099 -4.592 3.768 1.00 0.00 C ATOM 435 CG2 VAL A 32 -8.990 -4.192 1.462 1.00 0.00 C ATOM 0 H VAL A 32 -5.659 -6.054 3.392 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.048 -6.045 0.818 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.869 -6.076 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.077 -4.332 4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.623 -5.330 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.478 -3.698 3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.956 -3.937 1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.392 -3.288 1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.143 -4.648 0.484 1.00 0.00 H new ATOM 445 N PHE A 33 -6.058 -3.798 0.322 1.00 0.00 N ATOM 446 CA PHE A 33 -5.316 -2.590 -0.018 1.00 0.00 C ATOM 447 C PHE A 33 -6.197 -1.608 -0.785 1.00 0.00 C ATOM 448 O PHE A 33 -7.303 -1.947 -1.205 1.00 0.00 O ATOM 449 CB PHE A 33 -4.080 -2.941 -0.849 1.00 0.00 C ATOM 450 CG PHE A 33 -4.409 -3.516 -2.197 1.00 0.00 C ATOM 451 CD1 PHE A 33 -4.757 -4.850 -2.330 1.00 0.00 C ATOM 452 CD2 PHE A 33 -4.368 -2.722 -3.332 1.00 0.00 C ATOM 453 CE1 PHE A 33 -5.060 -5.382 -3.569 1.00 0.00 C ATOM 454 CE2 PHE A 33 -4.670 -3.248 -4.574 1.00 0.00 C ATOM 455 CZ PHE A 33 -5.016 -4.580 -4.693 1.00 0.00 C ATOM 0 H PHE A 33 -6.545 -4.228 -0.464 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.998 -2.116 0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.475 -2.044 -0.983 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.471 -3.656 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.792 -5.482 -1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.097 -1.680 -3.245 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.331 -6.424 -3.658 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.635 -2.618 -5.451 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.252 -4.993 -5.662 1.00 0.00 H new ATOM 465 N PHE A 34 -5.698 -0.389 -0.962 1.00 0.00 N ATOM 466 CA PHE A 34 -6.440 0.644 -1.677 1.00 0.00 C ATOM 467 C PHE A 34 -5.885 0.835 -3.085 1.00 0.00 C ATOM 468 O PHE A 34 -4.692 1.084 -3.266 1.00 0.00 O ATOM 469 CB PHE A 34 -6.382 1.966 -0.910 1.00 0.00 C ATOM 470 CG PHE A 34 -6.804 1.845 0.527 1.00 0.00 C ATOM 471 CD1 PHE A 34 -5.898 1.450 1.497 1.00 0.00 C ATOM 472 CD2 PHE A 34 -8.107 2.126 0.906 1.00 0.00 C ATOM 473 CE1 PHE A 34 -6.284 1.336 2.820 1.00 0.00 C ATOM 474 CE2 PHE A 34 -8.498 2.015 2.227 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.586 1.620 3.185 1.00 0.00 C ATOM 0 H PHE A 34 -4.784 -0.092 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.479 0.323 -1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.365 2.356 -0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.022 2.694 -1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.879 1.229 1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.825 2.435 0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.569 1.025 3.567 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.516 2.237 2.510 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.890 1.533 4.218 1.00 0.00 H new ATOM 485 N TYR A 35 -6.758 0.717 -4.080 1.00 0.00 N ATOM 486 CA TYR A 35 -6.356 0.874 -5.472 1.00 0.00 C ATOM 487 C TYR A 35 -7.057 2.069 -6.110 1.00 0.00 C ATOM 488 O TYR A 35 -8.178 2.416 -5.740 1.00 0.00 O ATOM 489 CB TYR A 35 -6.671 -0.397 -6.262 1.00 0.00 C ATOM 490 CG TYR A 35 -6.599 -0.212 -7.761 1.00 0.00 C ATOM 491 CD1 TYR A 35 -5.406 0.137 -8.382 1.00 0.00 C ATOM 492 CD2 TYR A 35 -7.725 -0.385 -8.557 1.00 0.00 C ATOM 493 CE1 TYR A 35 -5.336 0.308 -9.751 1.00 0.00 C ATOM 494 CE2 TYR A 35 -7.664 -0.218 -9.927 1.00 0.00 C ATOM 495 CZ TYR A 35 -6.467 0.129 -10.519 1.00 0.00 C ATOM 496 OH TYR A 35 -6.403 0.298 -11.883 1.00 0.00 O ATOM 0 H TYR A 35 -7.749 0.513 -3.948 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.281 1.051 -5.495 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.973 -1.180 -5.967 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.670 -0.743 -5.995 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.518 0.277 -7.784 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.664 -0.655 -8.097 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.401 0.580 -10.217 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.548 -0.358 -10.531 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.286 0.134 -12.275 1.00 0.00 H new ATOM 506 N ASN A 36 -6.387 2.695 -7.073 1.00 0.00 N ATOM 507 CA ASN A 36 -6.945 3.852 -7.764 1.00 0.00 C ATOM 508 C ASN A 36 -6.871 3.670 -9.277 1.00 0.00 C ATOM 509 O ASN A 36 -5.841 3.914 -9.907 1.00 0.00 O ATOM 510 CB ASN A 36 -6.200 5.125 -7.355 1.00 0.00 C ATOM 511 CG ASN A 36 -6.893 6.382 -7.843 1.00 0.00 C ATOM 512 OD1 ASN A 36 -7.256 6.490 -9.014 1.00 0.00 O ATOM 513 ND2 ASN A 36 -7.080 7.341 -6.943 1.00 0.00 N ATOM 0 H ASN A 36 -5.458 2.421 -7.392 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.993 3.944 -7.478 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.114 5.159 -6.269 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.186 5.094 -7.754 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.541 8.210 -7.212 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.763 7.208 -5.983 1.00 0.00 H new ATOM 520 N PRO A 37 -7.988 3.232 -9.876 1.00 0.00 N ATOM 521 CA PRO A 37 -8.076 3.009 -11.322 1.00 0.00 C ATOM 522 C PRO A 37 -8.046 4.312 -12.113 1.00 0.00 C ATOM 523 O PRO A 37 -8.066 4.304 -13.344 1.00 0.00 O ATOM 524 CB PRO A 37 -9.428 2.311 -11.491 1.00 0.00 C ATOM 525 CG PRO A 37 -10.231 2.750 -10.316 1.00 0.00 C ATOM 526 CD PRO A 37 -9.252 2.922 -9.187 1.00 0.00 C ATOM 0 HA PRO A 37 -7.232 2.430 -11.697 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.907 2.598 -12.427 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.314 1.227 -11.510 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.752 3.684 -10.526 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.991 2.010 -10.064 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.551 3.726 -8.515 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.170 2.017 -8.585 1.00 0.00 H new ATOM 534 N THR A 38 -7.998 5.432 -11.398 1.00 0.00 N ATOM 535 CA THR A 38 -7.966 6.743 -12.033 1.00 0.00 C ATOM 536 C THR A 38 -6.536 7.252 -12.171 1.00 0.00 C ATOM 537 O THR A 38 -6.192 7.912 -13.153 1.00 0.00 O ATOM 538 CB THR A 38 -8.791 7.773 -11.238 1.00 0.00 C ATOM 539 OG1 THR A 38 -10.088 7.241 -10.946 1.00 0.00 O ATOM 540 CG2 THR A 38 -8.933 9.071 -12.017 1.00 0.00 C ATOM 0 H THR A 38 -7.980 5.457 -10.378 1.00 0.00 H new ATOM 0 HA THR A 38 -8.404 6.625 -13.024 1.00 0.00 H new ATOM 0 HB THR A 38 -8.267 7.984 -10.306 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.606 7.901 -10.439 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.519 9.782 -11.435 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.945 9.488 -12.212 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.437 8.874 -12.963 1.00 0.00 H new ATOM 548 N THR A 39 -5.704 6.942 -11.181 1.00 0.00 N ATOM 549 CA THR A 39 -4.310 7.369 -11.192 1.00 0.00 C ATOM 550 C THR A 39 -3.368 6.172 -11.136 1.00 0.00 C ATOM 551 O THR A 39 -2.186 6.314 -10.821 1.00 0.00 O ATOM 552 CB THR A 39 -4.000 8.307 -10.011 1.00 0.00 C ATOM 553 OG1 THR A 39 -4.106 7.591 -8.775 1.00 0.00 O ATOM 554 CG2 THR A 39 -4.953 9.494 -9.998 1.00 0.00 C ATOM 0 H THR A 39 -5.972 6.397 -10.362 1.00 0.00 H new ATOM 0 HA THR A 39 -4.153 7.909 -12.126 1.00 0.00 H new ATOM 0 HB THR A 39 -2.982 8.679 -10.129 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.906 8.194 -8.029 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.715 10.143 -9.155 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.849 10.054 -10.927 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.978 9.136 -9.902 1.00 0.00 H new ATOM 562 N ARG A 40 -3.898 4.993 -11.445 1.00 0.00 N ATOM 563 CA ARG A 40 -3.104 3.771 -11.429 1.00 0.00 C ATOM 564 C ARG A 40 -2.245 3.696 -10.169 1.00 0.00 C ATOM 565 O ARG A 40 -1.121 3.195 -10.200 1.00 0.00 O ATOM 566 CB ARG A 40 -2.213 3.699 -12.671 1.00 0.00 C ATOM 567 CG ARG A 40 -2.991 3.643 -13.975 1.00 0.00 C ATOM 568 CD ARG A 40 -2.115 3.171 -15.126 1.00 0.00 C ATOM 569 NE ARG A 40 -1.448 4.283 -15.798 1.00 0.00 N ATOM 570 CZ ARG A 40 -0.824 4.168 -16.965 1.00 0.00 C ATOM 571 NH1 ARG A 40 -0.783 2.997 -17.586 1.00 0.00 N ATOM 572 NH2 ARG A 40 -0.241 5.226 -17.513 1.00 0.00 N ATOM 0 H ARG A 40 -4.874 4.859 -11.709 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.789 2.923 -11.432 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.555 4.568 -12.687 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.575 2.818 -12.600 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.842 2.970 -13.864 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.393 4.630 -14.203 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.367 2.474 -14.750 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.725 2.626 -15.846 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.462 5.198 -15.347 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.231 2.182 -17.168 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.303 2.911 -18.482 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.272 6.128 -17.038 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.238 5.137 -18.409 1.00 0.00 H new ATOM 586 N LEU A 41 -2.782 4.199 -9.063 1.00 0.00 N ATOM 587 CA LEU A 41 -2.066 4.191 -7.793 1.00 0.00 C ATOM 588 C LEU A 41 -2.602 3.098 -6.873 1.00 0.00 C ATOM 589 O LEU A 41 -3.811 2.972 -6.682 1.00 0.00 O ATOM 590 CB LEU A 41 -2.185 5.554 -7.108 1.00 0.00 C ATOM 591 CG LEU A 41 -1.045 5.931 -6.162 1.00 0.00 C ATOM 592 CD1 LEU A 41 -1.020 5.002 -4.958 1.00 0.00 C ATOM 593 CD2 LEU A 41 0.289 5.896 -6.893 1.00 0.00 C ATOM 0 H LEU A 41 -3.711 4.618 -9.020 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.015 3.985 -7.998 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.259 6.321 -7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.119 5.576 -6.546 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.215 6.947 -5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.202 5.286 -4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.965 5.078 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.875 3.975 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.089 6.167 -6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.467 4.892 -7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.269 6.604 -7.722 1.00 0.00 H new ATOM 605 N SER A 42 -1.693 2.313 -6.303 1.00 0.00 N ATOM 606 CA SER A 42 -2.074 1.230 -5.404 1.00 0.00 C ATOM 607 C SER A 42 -1.143 1.173 -4.197 1.00 0.00 C ATOM 608 O SER A 42 0.007 0.749 -4.307 1.00 0.00 O ATOM 609 CB SER A 42 -2.051 -0.108 -6.144 1.00 0.00 C ATOM 610 OG SER A 42 -0.743 -0.422 -6.590 1.00 0.00 O ATOM 0 H SER A 42 -0.688 2.407 -6.448 1.00 0.00 H new ATOM 0 HA SER A 42 -3.087 1.424 -5.051 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.413 -0.897 -5.486 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.729 -0.067 -6.996 1.00 0.00 H new ATOM 0 HG SER A 42 -0.089 -0.108 -5.932 1.00 0.00 H new ATOM 616 N MET A 43 -1.649 1.604 -3.046 1.00 0.00 N ATOM 617 CA MET A 43 -0.863 1.601 -1.817 1.00 0.00 C ATOM 618 C MET A 43 -1.260 0.432 -0.921 1.00 0.00 C ATOM 619 O MET A 43 -2.274 -0.226 -1.156 1.00 0.00 O ATOM 620 CB MET A 43 -1.047 2.921 -1.066 1.00 0.00 C ATOM 621 CG MET A 43 -0.973 4.146 -1.963 1.00 0.00 C ATOM 622 SD MET A 43 -0.397 5.613 -1.088 1.00 0.00 S ATOM 623 CE MET A 43 -1.155 5.371 0.517 1.00 0.00 C ATOM 0 H MET A 43 -2.599 1.960 -2.938 1.00 0.00 H new ATOM 0 HA MET A 43 0.187 1.488 -2.086 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.012 2.910 -0.559 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.282 3.000 -0.293 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.304 3.940 -2.799 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.959 4.343 -2.385 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.184 6.320 1.052 1.00 0.00 H new ATOM 0 HE2 MET A 43 -2.170 4.996 0.387 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.572 4.649 1.089 1.00 0.00 H new ATOM 633 N TRP A 44 -0.456 0.180 0.105 1.00 0.00 N ATOM 634 CA TRP A 44 -0.724 -0.910 1.036 1.00 0.00 C ATOM 635 C TRP A 44 -1.410 -0.393 2.296 1.00 0.00 C ATOM 636 O TRP A 44 -1.969 -1.169 3.072 1.00 0.00 O ATOM 637 CB TRP A 44 0.577 -1.625 1.405 1.00 0.00 C ATOM 638 CG TRP A 44 0.933 -2.735 0.463 1.00 0.00 C ATOM 639 CD1 TRP A 44 1.923 -2.725 -0.478 1.00 0.00 C ATOM 640 CD2 TRP A 44 0.301 -4.016 0.371 1.00 0.00 C ATOM 641 NE1 TRP A 44 1.944 -3.923 -1.150 1.00 0.00 N ATOM 642 CE2 TRP A 44 0.959 -4.733 -0.648 1.00 0.00 C ATOM 643 CE3 TRP A 44 -0.755 -4.629 1.050 1.00 0.00 C ATOM 644 CZ2 TRP A 44 0.594 -6.028 -1.002 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -1.117 -5.915 0.698 1.00 0.00 C ATOM 646 CH2 TRP A 44 -0.444 -6.604 -0.320 1.00 0.00 C ATOM 0 H TRP A 44 0.387 0.715 0.314 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.392 -1.618 0.545 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.390 -0.899 1.423 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.488 -2.029 2.414 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.591 -1.897 -0.666 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.588 -4.170 -1.901 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.279 -4.107 1.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.111 -6.560 -1.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.933 -6.398 1.216 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.750 -7.609 -0.571 1.00 0.00 H new ATOM 657 N ASP A 45 -1.363 0.919 2.494 1.00 0.00 N ATOM 658 CA ASP A 45 -1.982 1.539 3.660 1.00 0.00 C ATOM 659 C ASP A 45 -3.054 2.540 3.239 1.00 0.00 C ATOM 660 O ASP A 45 -3.265 2.774 2.049 1.00 0.00 O ATOM 661 CB ASP A 45 -0.923 2.237 4.515 1.00 0.00 C ATOM 662 CG ASP A 45 -0.255 1.292 5.494 1.00 0.00 C ATOM 663 OD1 ASP A 45 0.227 0.227 5.055 1.00 0.00 O ATOM 664 OD2 ASP A 45 -0.214 1.617 6.699 1.00 0.00 O ATOM 0 H ASP A 45 -0.903 1.574 1.862 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.455 0.754 4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.167 2.676 3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.386 3.057 5.064 1.00 0.00 H new ATOM 669 N ARG A 46 -3.728 3.126 4.222 1.00 0.00 N ATOM 670 CA ARG A 46 -4.780 4.100 3.954 1.00 0.00 C ATOM 671 C ARG A 46 -4.187 5.477 3.673 1.00 0.00 C ATOM 672 O ARG A 46 -3.633 6.133 4.555 1.00 0.00 O ATOM 673 CB ARG A 46 -5.745 4.180 5.138 1.00 0.00 C ATOM 674 CG ARG A 46 -7.127 4.689 4.764 1.00 0.00 C ATOM 675 CD ARG A 46 -7.217 6.202 4.895 1.00 0.00 C ATOM 676 NE ARG A 46 -8.566 6.641 5.240 1.00 0.00 N ATOM 677 CZ ARG A 46 -9.080 6.548 6.462 1.00 0.00 C ATOM 678 NH1 ARG A 46 -8.360 6.034 7.449 1.00 0.00 N ATOM 679 NH2 ARG A 46 -10.315 6.970 6.698 1.00 0.00 N ATOM 0 H ARG A 46 -3.565 2.944 5.212 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.327 3.772 3.070 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.840 3.191 5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.320 4.834 5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.359 4.397 3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.874 4.222 5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.518 6.542 5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.913 6.666 3.957 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.146 7.041 4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.410 5.709 7.271 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.756 5.963 8.386 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.872 7.367 5.941 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.708 6.898 7.636 1.00 0.00 H new ATOM 693 N PRO A 47 -4.304 5.927 2.415 1.00 0.00 N ATOM 694 CA PRO A 47 -3.786 7.230 1.988 1.00 0.00 C ATOM 695 C PRO A 47 -4.577 8.391 2.581 1.00 0.00 C ATOM 696 O PRO A 47 -5.716 8.220 3.016 1.00 0.00 O ATOM 697 CB PRO A 47 -3.946 7.195 0.467 1.00 0.00 C ATOM 698 CG PRO A 47 -5.057 6.232 0.225 1.00 0.00 C ATOM 699 CD PRO A 47 -4.952 5.198 1.311 1.00 0.00 C ATOM 0 HA PRO A 47 -2.759 7.388 2.318 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.185 8.182 0.071 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.027 6.870 -0.020 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.023 6.735 0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.969 5.774 -0.760 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.932 4.819 1.601 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.359 4.340 0.993 1.00 0.00 H new ATOM 707 N ASP A 48 -3.967 9.571 2.594 1.00 0.00 N ATOM 708 CA ASP A 48 -4.616 10.761 3.132 1.00 0.00 C ATOM 709 C ASP A 48 -5.908 11.063 2.379 1.00 0.00 C ATOM 710 O ASP A 48 -6.951 11.302 2.987 1.00 0.00 O ATOM 711 CB ASP A 48 -3.673 11.962 3.054 1.00 0.00 C ATOM 712 CG ASP A 48 -2.775 11.915 1.833 1.00 0.00 C ATOM 713 OD1 ASP A 48 -1.823 11.107 1.827 1.00 0.00 O ATOM 714 OD2 ASP A 48 -3.026 12.684 0.883 1.00 0.00 O ATOM 0 H ASP A 48 -3.024 9.729 2.238 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.862 10.570 4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.260 12.880 3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.058 11.996 3.953 1.00 0.00 H new ATOM 719 N ASP A 49 -5.830 11.051 1.053 1.00 0.00 N ATOM 720 CA ASP A 49 -6.993 11.324 0.216 1.00 0.00 C ATOM 721 C ASP A 49 -8.251 10.702 0.815 1.00 0.00 C ATOM 722 O ASP A 49 -9.363 11.178 0.582 1.00 0.00 O ATOM 723 CB ASP A 49 -6.767 10.788 -1.198 1.00 0.00 C ATOM 724 CG ASP A 49 -5.800 11.642 -1.994 1.00 0.00 C ATOM 725 OD1 ASP A 49 -5.661 12.840 -1.670 1.00 0.00 O ATOM 726 OD2 ASP A 49 -5.181 11.112 -2.940 1.00 0.00 O ATOM 0 H ASP A 49 -4.974 10.855 0.534 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.131 12.404 0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.384 9.769 -1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.722 10.741 -1.722 1.00 0.00 H new ATOM 731 N LEU A 50 -8.068 9.636 1.586 1.00 0.00 N ATOM 732 CA LEU A 50 -9.189 8.947 2.217 1.00 0.00 C ATOM 733 C LEU A 50 -9.292 9.316 3.694 1.00 0.00 C ATOM 734 O LEU A 50 -10.390 9.429 4.240 1.00 0.00 O ATOM 735 CB LEU A 50 -9.032 7.433 2.068 1.00 0.00 C ATOM 736 CG LEU A 50 -9.260 6.870 0.665 1.00 0.00 C ATOM 737 CD1 LEU A 50 -9.070 5.361 0.658 1.00 0.00 C ATOM 738 CD2 LEU A 50 -10.649 7.237 0.162 1.00 0.00 C ATOM 0 H LEU A 50 -7.155 9.230 1.789 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.105 9.262 1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.027 7.159 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.729 6.947 2.751 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.524 7.311 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.236 4.978 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.055 5.121 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.782 4.901 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.794 6.828 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.401 6.824 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.749 8.322 0.128 1.00 0.00 H new ATOM 750 N ILE A 51 -8.142 9.505 4.333 1.00 0.00 N ATOM 751 CA ILE A 51 -8.104 9.864 5.745 1.00 0.00 C ATOM 752 C ILE A 51 -9.163 10.911 6.075 1.00 0.00 C ATOM 753 O ILE A 51 -9.119 12.033 5.572 1.00 0.00 O ATOM 754 CB ILE A 51 -6.720 10.404 6.151 1.00 0.00 C ATOM 755 CG1 ILE A 51 -5.679 9.284 6.109 1.00 0.00 C ATOM 756 CG2 ILE A 51 -6.781 11.027 7.538 1.00 0.00 C ATOM 757 CD1 ILE A 51 -4.284 9.741 6.475 1.00 0.00 C ATOM 0 H ILE A 51 -7.225 9.415 3.895 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.309 8.953 6.308 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.424 11.176 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.983 8.490 6.792 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.661 8.854 5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.795 11.404 7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.497 11.849 7.536 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.095 10.274 8.261 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.599 8.895 6.424 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.959 10.513 5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.287 10.145 7.488 1.00 0.00 H new ATOM 769 N GLY A 52 -10.113 10.536 6.926 1.00 0.00 N ATOM 770 CA GLY A 52 -11.169 11.455 7.310 1.00 0.00 C ATOM 771 C GLY A 52 -12.541 10.972 6.884 1.00 0.00 C ATOM 772 O GLY A 52 -13.555 11.388 7.444 1.00 0.00 O ATOM 0 H GLY A 52 -10.170 9.613 7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.154 11.589 8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.976 12.431 6.865 1.00 0.00 H new ATOM 776 N ARG A 53 -12.574 10.091 5.888 1.00 0.00 N ATOM 777 CA ARG A 53 -13.832 9.554 5.385 1.00 0.00 C ATOM 778 C ARG A 53 -14.238 8.303 6.161 1.00 0.00 C ATOM 779 O ARG A 53 -13.393 7.488 6.529 1.00 0.00 O ATOM 780 CB ARG A 53 -13.713 9.226 3.896 1.00 0.00 C ATOM 781 CG ARG A 53 -13.322 10.420 3.039 1.00 0.00 C ATOM 782 CD ARG A 53 -13.898 10.311 1.636 1.00 0.00 C ATOM 783 NE ARG A 53 -14.158 11.622 1.048 1.00 0.00 N ATOM 784 CZ ARG A 53 -15.049 11.833 0.086 1.00 0.00 C ATOM 785 NH1 ARG A 53 -15.763 10.823 -0.393 1.00 0.00 N ATOM 786 NH2 ARG A 53 -15.229 13.055 -0.398 1.00 0.00 N ATOM 0 H ARG A 53 -11.744 9.735 5.414 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.602 10.313 5.522 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -12.973 8.437 3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.666 8.832 3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.676 11.338 3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.236 10.489 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.204 9.760 1.001 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.825 9.738 1.668 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.626 12.420 1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.628 9.882 -0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.447 10.987 -1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.683 13.834 -0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.914 13.215 -1.137 1.00 0.00 H new ATOM 800 N ALA A 54 -15.537 8.160 6.405 1.00 0.00 N ATOM 801 CA ALA A 54 -16.054 7.010 7.135 1.00 0.00 C ATOM 802 C ALA A 54 -16.366 5.855 6.189 1.00 0.00 C ATOM 803 O ALA A 54 -16.156 4.690 6.526 1.00 0.00 O ATOM 804 CB ALA A 54 -17.296 7.400 7.923 1.00 0.00 C ATOM 0 H ALA A 54 -16.250 8.826 6.108 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.285 6.677 7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.672 6.531 8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.044 8.188 8.633 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.063 7.761 7.238 1.00 0.00 H new ATOM 810 N ASP A 55 -16.870 6.186 5.005 1.00 0.00 N ATOM 811 CA ASP A 55 -17.211 5.175 4.010 1.00 0.00 C ATOM 812 C ASP A 55 -16.054 4.202 3.805 1.00 0.00 C ATOM 813 O ASP A 55 -16.224 2.988 3.915 1.00 0.00 O ATOM 814 CB ASP A 55 -17.577 5.840 2.682 1.00 0.00 C ATOM 815 CG ASP A 55 -18.190 7.213 2.872 1.00 0.00 C ATOM 816 OD1 ASP A 55 -19.394 7.285 3.197 1.00 0.00 O ATOM 817 OD2 ASP A 55 -17.468 8.216 2.694 1.00 0.00 O ATOM 0 H ASP A 55 -17.051 7.146 4.711 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.071 4.615 4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.683 5.927 2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.278 5.204 2.141 1.00 0.00 H new ATOM 822 N VAL A 56 -14.878 4.744 3.505 1.00 0.00 N ATOM 823 CA VAL A 56 -13.693 3.924 3.284 1.00 0.00 C ATOM 824 C VAL A 56 -13.585 2.821 4.330 1.00 0.00 C ATOM 825 O VAL A 56 -13.287 1.671 4.006 1.00 0.00 O ATOM 826 CB VAL A 56 -12.409 4.774 3.316 1.00 0.00 C ATOM 827 CG1 VAL A 56 -12.381 5.653 4.557 1.00 0.00 C ATOM 828 CG2 VAL A 56 -11.178 3.882 3.257 1.00 0.00 C ATOM 0 H VAL A 56 -14.721 5.747 3.409 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.798 3.475 2.296 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.402 5.423 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.467 6.246 4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.245 6.318 4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.412 5.026 5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.280 4.499 3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.177 3.207 4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.194 3.300 2.335 1.00 0.00 H new ATOM 838 N ASP A 57 -13.830 3.178 5.586 1.00 0.00 N ATOM 839 CA ASP A 57 -13.763 2.217 6.681 1.00 0.00 C ATOM 840 C ASP A 57 -14.891 1.195 6.578 1.00 0.00 C ATOM 841 O ASP A 57 -14.648 -0.011 6.539 1.00 0.00 O ATOM 842 CB ASP A 57 -13.835 2.940 8.027 1.00 0.00 C ATOM 843 CG ASP A 57 -12.486 3.471 8.472 1.00 0.00 C ATOM 844 OD1 ASP A 57 -11.567 2.652 8.686 1.00 0.00 O ATOM 845 OD2 ASP A 57 -12.349 4.704 8.605 1.00 0.00 O ATOM 0 H ASP A 57 -14.077 4.126 5.871 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.812 1.689 6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.542 3.767 7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.221 2.256 8.783 1.00 0.00 H new ATOM 850 N LYS A 58 -16.125 1.686 6.534 1.00 0.00 N ATOM 851 CA LYS A 58 -17.291 0.816 6.435 1.00 0.00 C ATOM 852 C LYS A 58 -17.018 -0.356 5.499 1.00 0.00 C ATOM 853 O LYS A 58 -17.173 -1.517 5.881 1.00 0.00 O ATOM 854 CB LYS A 58 -18.502 1.608 5.938 1.00 0.00 C ATOM 855 CG LYS A 58 -19.828 1.085 6.462 1.00 0.00 C ATOM 856 CD LYS A 58 -20.960 2.061 6.188 1.00 0.00 C ATOM 857 CE LYS A 58 -21.621 1.785 4.846 1.00 0.00 C ATOM 858 NZ LYS A 58 -22.652 0.716 4.944 1.00 0.00 N ATOM 0 H LYS A 58 -16.343 2.682 6.565 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.505 0.422 7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.390 2.651 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.518 1.586 4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -20.052 0.126 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.752 0.907 7.535 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.703 1.990 6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.574 3.080 6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.081 2.700 4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.862 1.492 4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.078 0.558 4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.209 -0.164 5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -23.390 1.006 5.617 1.00 0.00 H new ATOM 872 N ILE A 59 -16.609 -0.047 4.274 1.00 0.00 N ATOM 873 CA ILE A 59 -16.312 -1.075 3.285 1.00 0.00 C ATOM 874 C ILE A 59 -15.357 -2.122 3.850 1.00 0.00 C ATOM 875 O ILE A 59 -15.705 -3.298 3.963 1.00 0.00 O ATOM 876 CB ILE A 59 -15.695 -0.470 2.010 1.00 0.00 C ATOM 877 CG1 ILE A 59 -16.703 0.448 1.316 1.00 0.00 C ATOM 878 CG2 ILE A 59 -15.238 -1.573 1.067 1.00 0.00 C ATOM 879 CD1 ILE A 59 -16.104 1.263 0.192 1.00 0.00 C ATOM 0 H ILE A 59 -16.476 0.908 3.942 1.00 0.00 H new ATOM 0 HA ILE A 59 -17.260 -1.550 3.030 1.00 0.00 H new ATOM 0 HB ILE A 59 -14.825 0.123 2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.520 -0.156 0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.135 1.124 2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.804 -1.129 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.490 -2.190 1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.092 -2.191 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -16.876 1.890 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.306 1.893 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.698 0.594 -0.566 1.00 0.00 H new ATOM 891 N ILE A 60 -14.154 -1.686 4.206 1.00 0.00 N ATOM 892 CA ILE A 60 -13.150 -2.584 4.763 1.00 0.00 C ATOM 893 C ILE A 60 -13.733 -3.427 5.893 1.00 0.00 C ATOM 894 O ILE A 60 -13.599 -4.650 5.899 1.00 0.00 O ATOM 895 CB ILE A 60 -11.931 -1.807 5.294 1.00 0.00 C ATOM 896 CG1 ILE A 60 -11.260 -1.031 4.160 1.00 0.00 C ATOM 897 CG2 ILE A 60 -10.942 -2.758 5.952 1.00 0.00 C ATOM 898 CD1 ILE A 60 -10.567 0.232 4.619 1.00 0.00 C ATOM 0 H ILE A 60 -13.850 -0.716 4.119 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.828 -3.238 3.953 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.272 -1.093 6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.532 -1.677 3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.011 -0.773 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.086 -2.194 6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.427 -3.269 6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.604 -3.493 5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.114 0.730 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.294 0.898 5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.793 -0.021 5.343 1.00 0.00 H new ATOM 910 N GLN A 61 -14.381 -2.764 6.845 1.00 0.00 N ATOM 911 CA GLN A 61 -14.986 -3.453 7.979 1.00 0.00 C ATOM 912 C GLN A 61 -15.709 -4.717 7.525 1.00 0.00 C ATOM 913 O GLN A 61 -15.274 -5.830 7.817 1.00 0.00 O ATOM 914 CB GLN A 61 -15.962 -2.525 8.705 1.00 0.00 C ATOM 915 CG GLN A 61 -15.293 -1.317 9.341 1.00 0.00 C ATOM 916 CD GLN A 61 -16.018 -0.835 10.582 1.00 0.00 C ATOM 917 OE1 GLN A 61 -16.661 0.216 10.571 1.00 0.00 O ATOM 918 NE2 GLN A 61 -15.919 -1.602 11.661 1.00 0.00 N ATOM 0 H GLN A 61 -14.501 -1.751 6.854 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.189 -3.739 8.666 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.718 -2.182 7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.482 -3.091 9.478 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.265 -1.570 9.601 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.248 -0.507 8.614 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.376 -2.465 11.625 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -16.386 -1.329 12.526 1.00 0.00 H new ATOM 927 N GLU A 62 -16.816 -4.535 6.811 1.00 0.00 N ATOM 928 CA GLU A 62 -17.600 -5.662 6.319 1.00 0.00 C ATOM 929 C GLU A 62 -17.412 -5.839 4.815 1.00 0.00 C ATOM 930 O GLU A 62 -18.177 -5.318 4.003 1.00 0.00 O ATOM 931 CB GLU A 62 -19.082 -5.459 6.639 1.00 0.00 C ATOM 932 CG GLU A 62 -19.832 -6.755 6.897 1.00 0.00 C ATOM 933 CD GLU A 62 -20.422 -7.350 5.633 1.00 0.00 C ATOM 934 OE1 GLU A 62 -21.156 -6.629 4.924 1.00 0.00 O ATOM 935 OE2 GLU A 62 -20.150 -8.536 5.353 1.00 0.00 O ATOM 0 H GLU A 62 -17.189 -3.619 6.561 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.248 -6.564 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.171 -4.817 7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.556 -4.934 5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.155 -7.478 7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -20.631 -6.571 7.615 1.00 0.00 H new ATOM 942 N PRO A 63 -16.370 -6.593 4.433 1.00 0.00 N ATOM 943 CA PRO A 63 -16.057 -6.857 3.026 1.00 0.00 C ATOM 944 C PRO A 63 -17.084 -7.769 2.365 1.00 0.00 C ATOM 945 O PRO A 63 -17.701 -8.619 3.008 1.00 0.00 O ATOM 946 CB PRO A 63 -14.692 -7.546 3.089 1.00 0.00 C ATOM 947 CG PRO A 63 -14.643 -8.165 4.444 1.00 0.00 C ATOM 948 CD PRO A 63 -15.418 -7.246 5.347 1.00 0.00 C ATOM 0 HA PRO A 63 -16.062 -5.945 2.430 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.591 -8.298 2.306 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.881 -6.831 2.951 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.082 -9.163 4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.614 -8.273 4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -15.931 -7.796 6.136 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.768 -6.520 5.836 1.00 0.00 H new ATOM 956 N PRO A 64 -17.275 -7.592 1.049 1.00 0.00 N ATOM 957 CA PRO A 64 -18.227 -8.392 0.272 1.00 0.00 C ATOM 958 C PRO A 64 -17.773 -9.839 0.111 1.00 0.00 C ATOM 959 O PRO A 64 -18.534 -10.771 0.371 1.00 0.00 O ATOM 960 CB PRO A 64 -18.257 -7.686 -1.086 1.00 0.00 C ATOM 961 CG PRO A 64 -16.939 -6.998 -1.185 1.00 0.00 C ATOM 962 CD PRO A 64 -16.575 -6.598 0.218 1.00 0.00 C ATOM 0 HA PRO A 64 -19.201 -8.453 0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.394 -8.398 -1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.080 -6.974 -1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.184 -7.659 -1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.002 -6.126 -1.836 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.497 -6.628 0.378 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.902 -5.583 0.444 1.00 0.00 H new ATOM 970 N HIS A 65 -16.528 -10.019 -0.318 1.00 0.00 N ATOM 971 CA HIS A 65 -15.972 -11.354 -0.513 1.00 0.00 C ATOM 972 C HIS A 65 -16.347 -12.272 0.647 1.00 0.00 C ATOM 973 O HIS A 65 -16.381 -13.494 0.499 1.00 0.00 O ATOM 974 CB HIS A 65 -14.451 -11.281 -0.650 1.00 0.00 C ATOM 975 CG HIS A 65 -13.737 -11.149 0.660 1.00 0.00 C ATOM 976 ND1 HIS A 65 -13.403 -9.932 1.216 1.00 0.00 N ATOM 977 CD2 HIS A 65 -13.296 -12.091 1.527 1.00 0.00 C ATOM 978 CE1 HIS A 65 -12.784 -10.131 2.366 1.00 0.00 C ATOM 979 NE2 HIS A 65 -12.707 -11.433 2.578 1.00 0.00 N ATOM 0 H HIS A 65 -15.885 -9.258 -0.537 1.00 0.00 H new ATOM 0 HA HIS A 65 -16.392 -11.766 -1.431 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -14.097 -12.178 -1.159 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -14.192 -10.432 -1.283 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.390 -13.161 1.413 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.405 -9.361 3.021 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.279 -11.877 3.391 1.00 0.00 H new