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= -0.246 K(o=-0.39,f=-16!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0696 USER MOD Single : A 20 THR OG1 : rot -108:sc= -1.59 USER MOD Single : A 23 CYS SG : rot -170:sc= -0.587 USER MOD Single : A 27 THR OG1 : rot -49:sc= 0.29 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 32:sc= 0.843 USER MOD Single : A 43 MET CE :methyl -167:sc= -2.6! (180deg=-4.45!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.018) USER MOD Single : A 65 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 11 -5.662 -10.027 -6.371 1.00 0.00 N ATOM 121 CA PRO A 11 -6.692 -9.737 -5.368 1.00 0.00 C ATOM 122 C PRO A 11 -7.869 -10.702 -5.451 1.00 0.00 C ATOM 123 O PRO A 11 -8.124 -11.299 -6.497 1.00 0.00 O ATOM 124 CB PRO A 11 -7.139 -8.316 -5.720 1.00 0.00 C ATOM 125 CG PRO A 11 -6.832 -8.170 -7.171 1.00 0.00 C ATOM 126 CD PRO A 11 -5.598 -8.993 -7.418 1.00 0.00 C ATOM 0 HA PRO A 11 -6.312 -9.839 -4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.202 -8.176 -5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.605 -7.574 -5.126 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.663 -8.520 -7.783 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.663 -7.125 -7.431 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.600 -9.431 -8.416 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.692 -8.393 -7.335 1.00 0.00 H new ATOM 134 N VAL A 12 -8.586 -10.850 -4.341 1.00 0.00 N ATOM 135 CA VAL A 12 -9.739 -11.742 -4.289 1.00 0.00 C ATOM 136 C VAL A 12 -11.025 -10.998 -4.632 1.00 0.00 C ATOM 137 O VAL A 12 -11.929 -11.556 -5.253 1.00 0.00 O ATOM 138 CB VAL A 12 -9.887 -12.387 -2.898 1.00 0.00 C ATOM 139 CG1 VAL A 12 -8.700 -13.290 -2.599 1.00 0.00 C ATOM 140 CG2 VAL A 12 -10.035 -11.316 -1.828 1.00 0.00 C ATOM 0 H VAL A 12 -8.389 -10.364 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.568 -12.525 -5.028 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.789 -12.999 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.822 -13.737 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.644 -14.078 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.782 -12.703 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.138 -11.789 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.153 -10.676 -1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.920 -10.714 -2.035 1.00 0.00 H new ATOM 150 N ALA A 13 -11.099 -9.736 -4.223 1.00 0.00 N ATOM 151 CA ALA A 13 -12.273 -8.915 -4.489 1.00 0.00 C ATOM 152 C ALA A 13 -11.892 -7.446 -4.644 1.00 0.00 C ATOM 153 O ALA A 13 -10.845 -7.011 -4.165 1.00 0.00 O ATOM 154 CB ALA A 13 -13.297 -9.082 -3.376 1.00 0.00 C ATOM 0 H ALA A 13 -10.360 -9.260 -3.706 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.715 -9.250 -5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.169 -8.463 -3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.600 -10.127 -3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.856 -8.776 -2.427 1.00 0.00 H new ATOM 160 N THR A 14 -12.750 -6.685 -5.318 1.00 0.00 N ATOM 161 CA THR A 14 -12.502 -5.266 -5.538 1.00 0.00 C ATOM 162 C THR A 14 -13.808 -4.480 -5.577 1.00 0.00 C ATOM 163 O THR A 14 -14.775 -4.895 -6.214 1.00 0.00 O ATOM 164 CB THR A 14 -11.732 -5.026 -6.850 1.00 0.00 C ATOM 165 OG1 THR A 14 -10.536 -5.813 -6.867 1.00 0.00 O ATOM 166 CG2 THR A 14 -11.381 -3.555 -7.011 1.00 0.00 C ATOM 0 H THR A 14 -13.622 -7.028 -5.720 1.00 0.00 H new ATOM 0 HA THR A 14 -11.896 -4.918 -4.702 1.00 0.00 H new ATOM 0 HB THR A 14 -12.373 -5.322 -7.681 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.053 -5.656 -7.705 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.838 -3.411 -7.945 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.296 -2.962 -7.028 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.758 -3.236 -6.176 1.00 0.00 H new ATOM 174 N ALA A 15 -13.828 -3.341 -4.891 1.00 0.00 N ATOM 175 CA ALA A 15 -15.014 -2.495 -4.850 1.00 0.00 C ATOM 176 C ALA A 15 -14.635 -1.019 -4.813 1.00 0.00 C ATOM 177 O ALA A 15 -13.799 -0.588 -4.019 1.00 0.00 O ATOM 178 CB ALA A 15 -15.875 -2.851 -3.647 1.00 0.00 C ATOM 0 H ALA A 15 -13.036 -2.984 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.588 -2.673 -5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.757 -2.211 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.184 -3.894 -3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.301 -2.703 -2.732 1.00 0.00 H new ATOM 184 N PRO A 16 -15.262 -0.224 -5.693 1.00 0.00 N ATOM 185 CA PRO A 16 -15.005 1.217 -5.780 1.00 0.00 C ATOM 186 C PRO A 16 -15.536 1.975 -4.568 1.00 0.00 C ATOM 187 O PRO A 16 -16.697 1.820 -4.187 1.00 0.00 O ATOM 188 CB PRO A 16 -15.760 1.636 -7.045 1.00 0.00 C ATOM 189 CG PRO A 16 -16.838 0.619 -7.197 1.00 0.00 C ATOM 190 CD PRO A 16 -16.269 -0.670 -6.670 1.00 0.00 C ATOM 0 HA PRO A 16 -13.938 1.440 -5.810 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.174 2.639 -6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.101 1.648 -7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.729 0.909 -6.640 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.134 0.517 -8.241 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.037 -1.287 -6.203 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.821 -1.266 -7.465 1.00 0.00 H new ATOM 198 N ILE A 17 -14.680 2.794 -3.967 1.00 0.00 N ATOM 199 CA ILE A 17 -15.065 3.577 -2.799 1.00 0.00 C ATOM 200 C ILE A 17 -15.896 4.791 -3.200 1.00 0.00 C ATOM 201 O ILE A 17 -15.589 5.493 -4.164 1.00 0.00 O ATOM 202 CB ILE A 17 -13.831 4.052 -2.009 1.00 0.00 C ATOM 203 CG1 ILE A 17 -13.028 2.851 -1.505 1.00 0.00 C ATOM 204 CG2 ILE A 17 -14.255 4.937 -0.846 1.00 0.00 C ATOM 205 CD1 ILE A 17 -12.149 3.168 -0.316 1.00 0.00 C ATOM 0 H ILE A 17 -13.716 2.933 -4.269 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.664 2.924 -2.164 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.196 4.638 -2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.717 2.051 -1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.406 2.474 -2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.372 5.265 -0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -14.789 5.807 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -14.908 4.374 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.610 2.271 -0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.435 3.946 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.768 3.516 0.511 1.00 0.00 H new ATOM 217 N PRO A 18 -16.973 5.047 -2.443 1.00 0.00 N ATOM 218 CA PRO A 18 -17.870 6.178 -2.699 1.00 0.00 C ATOM 219 C PRO A 18 -17.213 7.519 -2.391 1.00 0.00 C ATOM 220 O PRO A 18 -16.618 7.700 -1.329 1.00 0.00 O ATOM 221 CB PRO A 18 -19.041 5.924 -1.747 1.00 0.00 C ATOM 222 CG PRO A 18 -18.464 5.103 -0.646 1.00 0.00 C ATOM 223 CD PRO A 18 -17.399 4.251 -1.280 1.00 0.00 C ATOM 0 HA PRO A 18 -18.161 6.239 -3.748 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.454 6.859 -1.369 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -19.853 5.398 -2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.043 5.737 0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.230 4.486 -0.177 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.572 4.066 -0.595 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.788 3.278 -1.580 1.00 0.00 H new ATOM 231 N GLY A 19 -17.327 8.458 -3.326 1.00 0.00 N ATOM 232 CA GLY A 19 -16.739 9.771 -3.134 1.00 0.00 C ATOM 233 C GLY A 19 -15.314 9.848 -3.644 1.00 0.00 C ATOM 234 O GLY A 19 -14.976 10.729 -4.435 1.00 0.00 O ATOM 0 H GLY A 19 -17.816 8.333 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.346 10.516 -3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.756 10.022 -2.073 1.00 0.00 H new ATOM 238 N THR A 20 -14.473 8.925 -3.189 1.00 0.00 N ATOM 239 CA THR A 20 -13.075 8.894 -3.601 1.00 0.00 C ATOM 240 C THR A 20 -12.859 7.900 -4.737 1.00 0.00 C ATOM 241 O THR A 20 -13.539 6.878 -4.838 1.00 0.00 O ATOM 242 CB THR A 20 -12.151 8.523 -2.426 1.00 0.00 C ATOM 243 OG1 THR A 20 -11.964 7.104 -2.379 1.00 0.00 O ATOM 244 CG2 THR A 20 -12.732 9.007 -1.107 1.00 0.00 C ATOM 0 H THR A 20 -14.736 8.188 -2.534 1.00 0.00 H new ATOM 0 HA THR A 20 -12.825 9.897 -3.947 1.00 0.00 H new ATOM 0 HB THR A 20 -11.189 9.011 -2.581 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.451 6.735 -1.613 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.062 8.733 -0.292 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.845 10.091 -1.135 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.706 8.544 -0.947 1.00 0.00 H new ATOM 252 N PRO A 21 -11.890 8.203 -5.613 1.00 0.00 N ATOM 253 CA PRO A 21 -11.561 7.347 -6.756 1.00 0.00 C ATOM 254 C PRO A 21 -10.903 6.039 -6.331 1.00 0.00 C ATOM 255 O PRO A 21 -10.645 5.165 -7.160 1.00 0.00 O ATOM 256 CB PRO A 21 -10.581 8.199 -7.567 1.00 0.00 C ATOM 257 CG PRO A 21 -9.969 9.123 -6.571 1.00 0.00 C ATOM 258 CD PRO A 21 -11.039 9.404 -5.554 1.00 0.00 C ATOM 0 HA PRO A 21 -12.451 7.050 -7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.825 7.581 -8.050 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.094 8.750 -8.355 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.096 8.669 -6.103 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.633 10.044 -7.048 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.619 9.550 -4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.600 10.306 -5.799 1.00 0.00 H new ATOM 266 N TRP A 22 -10.635 5.910 -5.037 1.00 0.00 N ATOM 267 CA TRP A 22 -10.008 4.707 -4.502 1.00 0.00 C ATOM 268 C TRP A 22 -10.967 3.523 -4.556 1.00 0.00 C ATOM 269 O TRP A 22 -12.185 3.696 -4.507 1.00 0.00 O ATOM 270 CB TRP A 22 -9.549 4.942 -3.062 1.00 0.00 C ATOM 271 CG TRP A 22 -8.387 5.883 -2.956 1.00 0.00 C ATOM 272 CD1 TRP A 22 -8.440 7.226 -2.709 1.00 0.00 C ATOM 273 CD2 TRP A 22 -7.001 5.553 -3.094 1.00 0.00 C ATOM 274 NE1 TRP A 22 -7.169 7.749 -2.686 1.00 0.00 N ATOM 275 CE2 TRP A 22 -6.269 6.743 -2.918 1.00 0.00 C ATOM 276 CE3 TRP A 22 -6.307 4.366 -3.346 1.00 0.00 C ATOM 277 CZ2 TRP A 22 -4.879 6.779 -2.989 1.00 0.00 C ATOM 278 CZ3 TRP A 22 -4.928 4.404 -3.417 1.00 0.00 C ATOM 279 CH2 TRP A 22 -4.225 5.603 -3.238 1.00 0.00 C ATOM 0 H TRP A 22 -10.842 6.624 -4.338 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.140 4.476 -5.119 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.383 5.338 -2.482 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.276 3.986 -2.615 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.346 7.793 -2.555 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.934 8.728 -2.523 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.839 3.436 -3.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -4.336 7.703 -2.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.382 3.493 -3.614 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.147 5.599 -3.298 1.00 0.00 H new ATOM 290 N CYS A 23 -10.411 2.320 -4.657 1.00 0.00 N ATOM 291 CA CYS A 23 -11.218 1.107 -4.717 1.00 0.00 C ATOM 292 C CYS A 23 -10.698 0.058 -3.740 1.00 0.00 C ATOM 293 O CYS A 23 -9.549 -0.374 -3.831 1.00 0.00 O ATOM 294 CB CYS A 23 -11.220 0.542 -6.138 1.00 0.00 C ATOM 295 SG CYS A 23 -11.552 1.771 -7.422 1.00 0.00 S ATOM 0 H CYS A 23 -9.405 2.159 -4.699 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.239 1.365 -4.434 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.253 0.079 -6.335 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.970 -0.247 -6.203 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.741 1.170 -8.559 1.00 0.00 H new ATOM 301 N VAL A 24 -11.551 -0.346 -2.804 1.00 0.00 N ATOM 302 CA VAL A 24 -11.177 -1.344 -1.809 1.00 0.00 C ATOM 303 C VAL A 24 -10.924 -2.700 -2.459 1.00 0.00 C ATOM 304 O VAL A 24 -11.825 -3.296 -3.049 1.00 0.00 O ATOM 305 CB VAL A 24 -12.268 -1.499 -0.732 1.00 0.00 C ATOM 306 CG1 VAL A 24 -11.767 -2.362 0.415 1.00 0.00 C ATOM 307 CG2 VAL A 24 -12.715 -0.135 -0.228 1.00 0.00 C ATOM 0 H VAL A 24 -12.505 0.002 -2.714 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.259 -0.993 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 24 -13.129 -1.996 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.551 -2.460 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.500 -3.349 0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.890 -1.896 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.486 -0.263 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.863 0.390 0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -13.117 0.446 -1.058 1.00 0.00 H new ATOM 317 N VAL A 25 -9.691 -3.183 -2.345 1.00 0.00 N ATOM 318 CA VAL A 25 -9.318 -4.470 -2.920 1.00 0.00 C ATOM 319 C VAL A 25 -8.853 -5.440 -1.840 1.00 0.00 C ATOM 320 O VAL A 25 -7.982 -5.115 -1.033 1.00 0.00 O ATOM 321 CB VAL A 25 -8.203 -4.314 -3.971 1.00 0.00 C ATOM 322 CG1 VAL A 25 -7.890 -5.653 -4.621 1.00 0.00 C ATOM 323 CG2 VAL A 25 -8.598 -3.283 -5.017 1.00 0.00 C ATOM 0 H VAL A 25 -8.933 -2.702 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.209 -4.870 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.302 -3.962 -3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.100 -5.523 -5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.561 -6.359 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.785 -6.038 -5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.799 -3.185 -5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.513 -3.603 -5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.766 -2.321 -4.534 1.00 0.00 H new ATOM 333 N TRP A 26 -9.437 -6.632 -1.832 1.00 0.00 N ATOM 334 CA TRP A 26 -9.081 -7.651 -0.850 1.00 0.00 C ATOM 335 C TRP A 26 -8.096 -8.654 -1.440 1.00 0.00 C ATOM 336 O TRP A 26 -7.921 -8.727 -2.657 1.00 0.00 O ATOM 337 CB TRP A 26 -10.336 -8.377 -0.360 1.00 0.00 C ATOM 338 CG TRP A 26 -11.198 -7.536 0.532 1.00 0.00 C ATOM 339 CD1 TRP A 26 -11.211 -7.537 1.897 1.00 0.00 C ATOM 340 CD2 TRP A 26 -12.173 -6.572 0.120 1.00 0.00 C ATOM 341 NE1 TRP A 26 -12.137 -6.632 2.359 1.00 0.00 N ATOM 342 CE2 TRP A 26 -12.740 -6.027 1.289 1.00 0.00 C ATOM 343 CE3 TRP A 26 -12.622 -6.115 -1.122 1.00 0.00 C ATOM 344 CZ2 TRP A 26 -13.731 -5.050 1.249 1.00 0.00 C ATOM 345 CZ3 TRP A 26 -13.607 -5.146 -1.159 1.00 0.00 C ATOM 346 CH2 TRP A 26 -14.152 -4.622 0.020 1.00 0.00 C ATOM 0 H TRP A 26 -10.159 -6.918 -2.494 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.604 -7.155 -0.005 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -10.921 -8.698 -1.222 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -10.040 -9.278 0.177 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -10.586 -8.157 2.522 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -12.342 -6.442 3.340 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.207 -6.512 -2.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -14.153 -4.644 2.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -13.962 -4.787 -2.113 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.920 -3.865 -0.043 1.00 0.00 H new ATOM 357 N THR A 27 -7.454 -9.428 -0.570 1.00 0.00 N ATOM 358 CA THR A 27 -6.486 -10.427 -1.006 1.00 0.00 C ATOM 359 C THR A 27 -6.702 -11.753 -0.285 1.00 0.00 C ATOM 360 O THR A 27 -7.546 -11.857 0.604 1.00 0.00 O ATOM 361 CB THR A 27 -5.041 -9.953 -0.761 1.00 0.00 C ATOM 362 OG1 THR A 27 -4.895 -9.505 0.591 1.00 0.00 O ATOM 363 CG2 THR A 27 -4.672 -8.828 -1.716 1.00 0.00 C ATOM 0 H THR A 27 -7.587 -9.382 0.440 1.00 0.00 H new ATOM 0 HA THR A 27 -6.638 -10.569 -2.076 1.00 0.00 H new ATOM 0 HB THR A 27 -4.371 -10.794 -0.939 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.626 -8.891 0.813 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.647 -8.509 -1.524 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.756 -9.181 -2.744 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.348 -7.986 -1.565 1.00 0.00 H new ATOM 371 N GLY A 28 -5.933 -12.765 -0.675 1.00 0.00 N ATOM 372 CA GLY A 28 -6.057 -14.072 -0.055 1.00 0.00 C ATOM 373 C GLY A 28 -5.302 -14.165 1.257 1.00 0.00 C ATOM 374 O GLY A 28 -5.430 -15.148 1.986 1.00 0.00 O ATOM 0 H GLY A 28 -5.227 -12.704 -1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.111 -14.290 0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.684 -14.833 -0.740 1.00 0.00 H new ATOM 378 N ASP A 29 -4.513 -13.139 1.557 1.00 0.00 N ATOM 379 CA ASP A 29 -3.734 -13.109 2.789 1.00 0.00 C ATOM 380 C ASP A 29 -4.455 -12.308 3.868 1.00 0.00 C ATOM 381 O ASP A 29 -3.823 -11.619 4.669 1.00 0.00 O ATOM 382 CB ASP A 29 -2.351 -12.509 2.529 1.00 0.00 C ATOM 383 CG ASP A 29 -1.305 -13.025 3.498 1.00 0.00 C ATOM 384 OD1 ASP A 29 -0.996 -14.234 3.448 1.00 0.00 O ATOM 385 OD2 ASP A 29 -0.795 -12.220 4.305 1.00 0.00 O ATOM 0 H ASP A 29 -4.396 -12.317 0.964 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.616 -14.134 3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.043 -12.741 1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.409 -11.423 2.605 1.00 0.00 H new ATOM 390 N GLU A 30 -5.781 -12.402 3.882 1.00 0.00 N ATOM 391 CA GLU A 30 -6.587 -11.684 4.862 1.00 0.00 C ATOM 392 C GLU A 30 -6.154 -10.224 4.958 1.00 0.00 C ATOM 393 O GLU A 30 -6.040 -9.670 6.051 1.00 0.00 O ATOM 394 CB GLU A 30 -6.476 -12.352 6.235 1.00 0.00 C ATOM 395 CG GLU A 30 -6.937 -13.799 6.247 1.00 0.00 C ATOM 396 CD GLU A 30 -6.737 -14.464 7.595 1.00 0.00 C ATOM 397 OE1 GLU A 30 -7.497 -14.146 8.533 1.00 0.00 O ATOM 398 OE2 GLU A 30 -5.819 -15.304 7.710 1.00 0.00 O ATOM 0 H GLU A 30 -6.319 -12.968 3.226 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.626 -11.716 4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.439 -12.307 6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.067 -11.785 6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.992 -13.842 5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.391 -14.357 5.486 1.00 0.00 H new ATOM 405 N ARG A 31 -5.913 -9.608 3.805 1.00 0.00 N ATOM 406 CA ARG A 31 -5.490 -8.213 3.759 1.00 0.00 C ATOM 407 C ARG A 31 -6.291 -7.437 2.717 1.00 0.00 C ATOM 408 O ARG A 31 -6.934 -8.026 1.848 1.00 0.00 O ATOM 409 CB ARG A 31 -3.997 -8.121 3.442 1.00 0.00 C ATOM 410 CG ARG A 31 -3.102 -8.526 4.603 1.00 0.00 C ATOM 411 CD ARG A 31 -2.758 -7.335 5.483 1.00 0.00 C ATOM 412 NE ARG A 31 -2.385 -7.743 6.835 1.00 0.00 N ATOM 413 CZ ARG A 31 -2.158 -6.886 7.825 1.00 0.00 C ATOM 414 NH1 ARG A 31 -2.266 -5.582 7.615 1.00 0.00 N ATOM 415 NH2 ARG A 31 -1.822 -7.335 9.027 1.00 0.00 N ATOM 0 H ARG A 31 -6.003 -10.052 2.891 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.674 -7.771 4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.776 -8.757 2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.758 -7.098 3.150 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.602 -9.289 5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.185 -8.972 4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.937 -6.777 5.033 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.613 -6.661 5.531 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.294 -8.740 7.030 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.524 -5.234 6.692 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.091 -4.927 8.377 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.738 -8.338 9.192 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.648 -6.677 9.787 1.00 0.00 H new ATOM 429 N VAL A 32 -6.247 -6.112 2.810 1.00 0.00 N ATOM 430 CA VAL A 32 -6.967 -5.255 1.876 1.00 0.00 C ATOM 431 C VAL A 32 -6.216 -3.950 1.637 1.00 0.00 C ATOM 432 O VAL A 32 -5.634 -3.378 2.559 1.00 0.00 O ATOM 433 CB VAL A 32 -8.384 -4.934 2.387 1.00 0.00 C ATOM 434 CG1 VAL A 32 -8.324 -4.326 3.780 1.00 0.00 C ATOM 435 CG2 VAL A 32 -9.100 -4.002 1.420 1.00 0.00 C ATOM 0 H VAL A 32 -5.720 -5.608 3.523 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.043 -5.803 0.937 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.950 -5.864 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.334 -4.106 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.853 -5.031 4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.742 -3.405 3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.100 -3.785 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.538 -3.073 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.176 -4.480 0.443 1.00 0.00 H new ATOM 445 N PHE A 33 -6.234 -3.483 0.393 1.00 0.00 N ATOM 446 CA PHE A 33 -5.554 -2.245 0.031 1.00 0.00 C ATOM 447 C PHE A 33 -6.468 -1.345 -0.796 1.00 0.00 C ATOM 448 O PHE A 33 -7.574 -1.737 -1.167 1.00 0.00 O ATOM 449 CB PHE A 33 -4.275 -2.549 -0.751 1.00 0.00 C ATOM 450 CG PHE A 33 -4.518 -3.303 -2.027 1.00 0.00 C ATOM 451 CD1 PHE A 33 -4.806 -2.627 -3.202 1.00 0.00 C ATOM 452 CD2 PHE A 33 -4.458 -4.687 -2.053 1.00 0.00 C ATOM 453 CE1 PHE A 33 -5.031 -3.318 -4.378 1.00 0.00 C ATOM 454 CE2 PHE A 33 -4.681 -5.383 -3.225 1.00 0.00 C ATOM 455 CZ PHE A 33 -4.967 -4.698 -4.390 1.00 0.00 C ATOM 0 H PHE A 33 -6.712 -3.943 -0.381 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.292 -1.722 0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.769 -1.612 -0.983 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.601 -3.127 -0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.855 -1.548 -3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.234 -5.228 -1.146 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.257 -2.779 -5.287 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.632 -6.462 -3.231 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.140 -5.240 -5.308 1.00 0.00 H new ATOM 465 N PHE A 34 -5.996 -0.136 -1.082 1.00 0.00 N ATOM 466 CA PHE A 34 -6.770 0.822 -1.864 1.00 0.00 C ATOM 467 C PHE A 34 -6.159 1.013 -3.249 1.00 0.00 C ATOM 468 O PHE A 34 -4.997 1.401 -3.379 1.00 0.00 O ATOM 469 CB PHE A 34 -6.842 2.166 -1.136 1.00 0.00 C ATOM 470 CG PHE A 34 -7.386 2.063 0.260 1.00 0.00 C ATOM 471 CD1 PHE A 34 -8.737 1.850 0.478 1.00 0.00 C ATOM 472 CD2 PHE A 34 -6.545 2.181 1.355 1.00 0.00 C ATOM 473 CE1 PHE A 34 -9.241 1.754 1.762 1.00 0.00 C ATOM 474 CE2 PHE A 34 -7.042 2.086 2.641 1.00 0.00 C ATOM 475 CZ PHE A 34 -8.392 1.874 2.845 1.00 0.00 C ATOM 0 H PHE A 34 -5.082 0.204 -0.784 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.779 0.426 -1.983 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.844 2.603 -1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.467 2.849 -1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.405 1.758 -0.365 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.489 2.349 1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.296 1.586 1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.376 2.177 3.486 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.783 1.802 3.849 1.00 0.00 H new ATOM 485 N TYR A 35 -6.949 0.736 -4.280 1.00 0.00 N ATOM 486 CA TYR A 35 -6.486 0.874 -5.656 1.00 0.00 C ATOM 487 C TYR A 35 -7.093 2.109 -6.314 1.00 0.00 C ATOM 488 O TYR A 35 -8.172 2.561 -5.934 1.00 0.00 O ATOM 489 CB TYR A 35 -6.842 -0.375 -6.464 1.00 0.00 C ATOM 490 CG TYR A 35 -6.516 -0.258 -7.935 1.00 0.00 C ATOM 491 CD1 TYR A 35 -5.202 -0.124 -8.367 1.00 0.00 C ATOM 492 CD2 TYR A 35 -7.521 -0.280 -8.894 1.00 0.00 C ATOM 493 CE1 TYR A 35 -4.899 -0.016 -9.711 1.00 0.00 C ATOM 494 CE2 TYR A 35 -7.227 -0.175 -10.240 1.00 0.00 C ATOM 495 CZ TYR A 35 -5.915 -0.042 -10.643 1.00 0.00 C ATOM 496 OH TYR A 35 -5.618 0.065 -11.983 1.00 0.00 O ATOM 0 H TYR A 35 -7.913 0.415 -4.189 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.402 0.990 -5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.308 -1.230 -6.049 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.907 -0.579 -6.352 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.404 -0.104 -7.640 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.550 -0.381 -8.582 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.872 0.088 -10.030 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.020 -0.197 -10.972 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.446 0.028 -12.506 1.00 0.00 H new ATOM 506 N ASN A 36 -6.391 2.650 -7.305 1.00 0.00 N ATOM 507 CA ASN A 36 -6.860 3.833 -8.017 1.00 0.00 C ATOM 508 C ASN A 36 -6.773 3.629 -9.527 1.00 0.00 C ATOM 509 O ASN A 36 -5.720 3.799 -10.142 1.00 0.00 O ATOM 510 CB ASN A 36 -6.040 5.058 -7.609 1.00 0.00 C ATOM 511 CG ASN A 36 -6.672 6.357 -8.071 1.00 0.00 C ATOM 512 OD1 ASN A 36 -7.098 6.479 -9.219 1.00 0.00 O ATOM 513 ND2 ASN A 36 -6.735 7.335 -7.175 1.00 0.00 N ATOM 0 H ASN A 36 -5.496 2.288 -7.633 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.904 3.997 -7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.932 5.075 -6.524 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.037 4.976 -8.028 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.149 8.232 -7.428 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.369 7.189 -6.234 1.00 0.00 H new ATOM 520 N PRO A 37 -7.906 3.255 -10.140 1.00 0.00 N ATOM 521 CA PRO A 37 -7.984 3.021 -11.585 1.00 0.00 C ATOM 522 C PRO A 37 -7.859 4.311 -12.389 1.00 0.00 C ATOM 523 O PRO A 37 -7.857 4.290 -13.620 1.00 0.00 O ATOM 524 CB PRO A 37 -9.375 2.408 -11.770 1.00 0.00 C ATOM 525 CG PRO A 37 -10.167 2.910 -10.613 1.00 0.00 C ATOM 526 CD PRO A 37 -9.198 3.033 -9.470 1.00 0.00 C ATOM 0 HA PRO A 37 -7.172 2.386 -11.940 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.820 2.714 -12.717 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.330 1.319 -11.776 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.625 3.872 -10.842 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.976 2.223 -10.366 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.457 3.862 -8.811 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.183 2.132 -8.857 1.00 0.00 H new ATOM 534 N THR A 38 -7.754 5.434 -11.685 1.00 0.00 N ATOM 535 CA THR A 38 -7.629 6.733 -12.333 1.00 0.00 C ATOM 536 C THR A 38 -6.170 7.165 -12.423 1.00 0.00 C ATOM 537 O THR A 38 -5.754 7.789 -13.399 1.00 0.00 O ATOM 538 CB THR A 38 -8.427 7.815 -11.581 1.00 0.00 C ATOM 539 OG1 THR A 38 -9.792 7.407 -11.440 1.00 0.00 O ATOM 540 CG2 THR A 38 -8.364 9.144 -12.318 1.00 0.00 C ATOM 0 H THR A 38 -7.753 5.469 -10.666 1.00 0.00 H new ATOM 0 HA THR A 38 -8.036 6.625 -13.338 1.00 0.00 H new ATOM 0 HB THR A 38 -7.982 7.943 -10.594 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.292 8.099 -10.959 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.935 9.892 -11.768 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.326 9.466 -12.399 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.786 9.027 -13.316 1.00 0.00 H new ATOM 548 N THR A 39 -5.393 6.827 -11.397 1.00 0.00 N ATOM 549 CA THR A 39 -3.980 7.180 -11.360 1.00 0.00 C ATOM 550 C THR A 39 -3.105 5.937 -11.254 1.00 0.00 C ATOM 551 O THR A 39 -1.913 6.028 -10.961 1.00 0.00 O ATOM 552 CB THR A 39 -3.666 8.117 -10.179 1.00 0.00 C ATOM 553 OG1 THR A 39 -3.814 7.412 -8.941 1.00 0.00 O ATOM 554 CG2 THR A 39 -4.584 9.330 -10.191 1.00 0.00 C ATOM 0 H THR A 39 -5.720 6.309 -10.581 1.00 0.00 H new ATOM 0 HA THR A 39 -3.759 7.697 -12.294 1.00 0.00 H new ATOM 0 HB THR A 39 -2.636 8.460 -10.280 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.611 8.014 -8.195 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.343 9.977 -9.347 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.447 9.881 -11.122 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.621 9.003 -10.113 1.00 0.00 H new ATOM 562 N ARG A 40 -3.705 4.775 -11.494 1.00 0.00 N ATOM 563 CA ARG A 40 -2.979 3.512 -11.425 1.00 0.00 C ATOM 564 C ARG A 40 -2.107 3.454 -10.175 1.00 0.00 C ATOM 565 O ARG A 40 -1.001 2.912 -10.200 1.00 0.00 O ATOM 566 CB ARG A 40 -2.113 3.328 -12.673 1.00 0.00 C ATOM 567 CG ARG A 40 -2.911 3.274 -13.965 1.00 0.00 C ATOM 568 CD ARG A 40 -2.102 2.654 -15.094 1.00 0.00 C ATOM 569 NE ARG A 40 -2.699 2.913 -16.401 1.00 0.00 N ATOM 570 CZ ARG A 40 -2.485 4.022 -17.101 1.00 0.00 C ATOM 571 NH1 ARG A 40 -1.692 4.969 -16.621 1.00 0.00 N ATOM 572 NH2 ARG A 40 -3.064 4.184 -18.284 1.00 0.00 N ATOM 0 H ARG A 40 -4.691 4.682 -11.738 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.709 2.704 -11.376 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.397 4.148 -12.732 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.537 2.408 -12.573 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.821 2.695 -13.808 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.218 4.281 -14.247 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.087 3.052 -15.074 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.026 1.578 -14.937 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.314 2.203 -16.799 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.244 4.847 -15.713 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.529 5.819 -17.160 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.674 3.457 -18.657 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.899 5.036 -18.820 1.00 0.00 H new ATOM 586 N LEU A 41 -2.611 4.016 -9.082 1.00 0.00 N ATOM 587 CA LEU A 41 -1.878 4.029 -7.820 1.00 0.00 C ATOM 588 C LEU A 41 -2.466 3.021 -6.838 1.00 0.00 C ATOM 589 O LEU A 41 -3.675 2.998 -6.606 1.00 0.00 O ATOM 590 CB LEU A 41 -1.903 5.431 -7.207 1.00 0.00 C ATOM 591 CG LEU A 41 -0.741 5.777 -6.277 1.00 0.00 C ATOM 592 CD1 LEU A 41 -0.761 4.888 -5.043 1.00 0.00 C ATOM 593 CD2 LEU A 41 0.586 5.647 -7.010 1.00 0.00 C ATOM 0 H LEU A 41 -3.524 4.469 -9.044 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.845 3.748 -8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.923 6.160 -8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.834 5.546 -6.651 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.855 6.812 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.074 5.149 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.698 5.032 -4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.673 3.844 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.402 5.897 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.708 4.623 -7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.600 6.328 -7.861 1.00 0.00 H new ATOM 605 N SER A 42 -1.603 2.191 -6.262 1.00 0.00 N ATOM 606 CA SER A 42 -2.037 1.179 -5.306 1.00 0.00 C ATOM 607 C SER A 42 -1.151 1.190 -4.064 1.00 0.00 C ATOM 608 O SER A 42 0.035 0.868 -4.131 1.00 0.00 O ATOM 609 CB SER A 42 -2.012 -0.207 -5.952 1.00 0.00 C ATOM 610 OG SER A 42 -0.683 -0.627 -6.209 1.00 0.00 O ATOM 0 H SER A 42 -0.599 2.199 -6.441 1.00 0.00 H new ATOM 0 HA SER A 42 -3.058 1.413 -5.005 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.503 -0.926 -5.296 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.577 -0.187 -6.884 1.00 0.00 H new ATOM 0 HG SER A 42 -0.085 -0.256 -5.527 1.00 0.00 H new ATOM 616 N MET A 43 -1.736 1.564 -2.931 1.00 0.00 N ATOM 617 CA MET A 43 -1.001 1.616 -1.672 1.00 0.00 C ATOM 618 C MET A 43 -1.500 0.546 -0.706 1.00 0.00 C ATOM 619 O MET A 43 -2.705 0.352 -0.549 1.00 0.00 O ATOM 620 CB MET A 43 -1.137 2.999 -1.034 1.00 0.00 C ATOM 621 CG MET A 43 -0.800 4.141 -1.980 1.00 0.00 C ATOM 622 SD MET A 43 -0.132 5.579 -1.122 1.00 0.00 S ATOM 623 CE MET A 43 -0.837 5.358 0.510 1.00 0.00 C ATOM 0 H MET A 43 -2.717 1.836 -2.859 1.00 0.00 H new ATOM 0 HA MET A 43 0.050 1.425 -1.886 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.158 3.125 -0.674 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.483 3.054 -0.163 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.077 3.795 -2.718 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.697 4.433 -2.526 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.711 6.274 1.088 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.899 5.129 0.420 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.330 4.537 1.017 1.00 0.00 H new ATOM 633 N TRP A 44 -0.566 -0.145 -0.063 1.00 0.00 N ATOM 634 CA TRP A 44 -0.912 -1.196 0.887 1.00 0.00 C ATOM 635 C TRP A 44 -1.444 -0.602 2.187 1.00 0.00 C ATOM 636 O TRP A 44 -1.945 -1.322 3.050 1.00 0.00 O ATOM 637 CB TRP A 44 0.307 -2.074 1.175 1.00 0.00 C ATOM 638 CG TRP A 44 0.426 -3.248 0.251 1.00 0.00 C ATOM 639 CD1 TRP A 44 1.310 -3.394 -0.779 1.00 0.00 C ATOM 640 CD2 TRP A 44 -0.368 -4.439 0.273 1.00 0.00 C ATOM 641 NE1 TRP A 44 1.114 -4.604 -1.400 1.00 0.00 N ATOM 642 CE2 TRP A 44 0.091 -5.264 -0.772 1.00 0.00 C ATOM 643 CE3 TRP A 44 -1.420 -4.890 1.075 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -0.468 -6.512 -1.035 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -1.974 -6.128 0.812 1.00 0.00 C ATOM 646 CH2 TRP A 44 -1.497 -6.928 -0.234 1.00 0.00 C ATOM 0 H TRP A 44 0.436 0.003 -0.182 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.696 -1.809 0.442 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.209 -1.467 1.098 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.252 -2.434 2.202 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.054 -2.665 -1.064 1.00 0.00 H new ATOM 0 HE1 TRP A 44 1.644 -4.954 -2.198 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.793 -4.282 1.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.103 -7.130 -1.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.789 -6.485 1.424 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.950 -7.892 -0.412 1.00 0.00 H new ATOM 657 N ASP A 45 -1.333 0.716 2.318 1.00 0.00 N ATOM 658 CA ASP A 45 -1.805 1.407 3.512 1.00 0.00 C ATOM 659 C ASP A 45 -2.957 2.349 3.176 1.00 0.00 C ATOM 660 O ASP A 45 -3.399 2.419 2.029 1.00 0.00 O ATOM 661 CB ASP A 45 -0.661 2.191 4.159 1.00 0.00 C ATOM 662 CG ASP A 45 0.366 2.658 3.146 1.00 0.00 C ATOM 663 OD1 ASP A 45 0.965 1.797 2.468 1.00 0.00 O ATOM 664 OD2 ASP A 45 0.569 3.884 3.031 1.00 0.00 O ATOM 0 H ASP A 45 -0.921 1.326 1.612 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.166 0.658 4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.068 3.055 4.684 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.172 1.565 4.906 1.00 0.00 H new ATOM 669 N ARG A 46 -3.439 3.069 4.183 1.00 0.00 N ATOM 670 CA ARG A 46 -4.541 4.004 3.995 1.00 0.00 C ATOM 671 C ARG A 46 -4.021 5.423 3.788 1.00 0.00 C ATOM 672 O ARG A 46 -3.542 6.077 4.716 1.00 0.00 O ATOM 673 CB ARG A 46 -5.483 3.965 5.200 1.00 0.00 C ATOM 674 CG ARG A 46 -6.885 4.468 4.894 1.00 0.00 C ATOM 675 CD ARG A 46 -7.024 5.951 5.202 1.00 0.00 C ATOM 676 NE ARG A 46 -7.437 6.187 6.582 1.00 0.00 N ATOM 677 CZ ARG A 46 -8.651 5.908 7.043 1.00 0.00 C ATOM 678 NH1 ARG A 46 -9.566 5.385 6.238 1.00 0.00 N ATOM 679 NH2 ARG A 46 -8.952 6.151 8.313 1.00 0.00 N ATOM 0 H ARG A 46 -3.083 3.023 5.138 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.091 3.703 3.103 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.546 2.941 5.568 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.057 4.567 6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.115 4.290 3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.611 3.904 5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.073 6.450 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.753 6.395 4.524 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.756 6.588 7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.338 5.196 5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.497 5.172 6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.251 6.552 8.936 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.885 5.936 8.666 1.00 0.00 H new ATOM 693 N PRO A 47 -4.115 5.913 2.543 1.00 0.00 N ATOM 694 CA PRO A 47 -3.658 7.259 2.185 1.00 0.00 C ATOM 695 C PRO A 47 -4.540 8.349 2.785 1.00 0.00 C ATOM 696 O PRO A 47 -5.691 8.100 3.147 1.00 0.00 O ATOM 697 CB PRO A 47 -3.756 7.273 0.658 1.00 0.00 C ATOM 698 CG PRO A 47 -4.797 6.257 0.336 1.00 0.00 C ATOM 699 CD PRO A 47 -4.674 5.190 1.388 1.00 0.00 C ATOM 0 HA PRO A 47 -2.656 7.463 2.563 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.037 8.259 0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.801 7.021 0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.792 6.702 0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.643 5.842 -0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.640 4.744 1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.019 4.381 1.065 1.00 0.00 H new ATOM 707 N ASP A 48 -3.995 9.556 2.888 1.00 0.00 N ATOM 708 CA ASP A 48 -4.733 10.684 3.443 1.00 0.00 C ATOM 709 C ASP A 48 -6.014 10.937 2.653 1.00 0.00 C ATOM 710 O ASP A 48 -7.069 11.201 3.230 1.00 0.00 O ATOM 711 CB ASP A 48 -3.862 11.941 3.441 1.00 0.00 C ATOM 712 CG ASP A 48 -4.217 12.893 4.567 1.00 0.00 C ATOM 713 OD1 ASP A 48 -5.245 13.593 4.451 1.00 0.00 O ATOM 714 OD2 ASP A 48 -3.468 12.936 5.565 1.00 0.00 O ATOM 0 H ASP A 48 -3.044 9.778 2.594 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.003 10.440 4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.814 11.654 3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.973 12.455 2.486 1.00 0.00 H new ATOM 719 N ASP A 49 -5.913 10.855 1.331 1.00 0.00 N ATOM 720 CA ASP A 49 -7.064 11.074 0.462 1.00 0.00 C ATOM 721 C ASP A 49 -8.306 10.388 1.021 1.00 0.00 C ATOM 722 O ASP A 49 -9.434 10.775 0.711 1.00 0.00 O ATOM 723 CB ASP A 49 -6.771 10.557 -0.948 1.00 0.00 C ATOM 724 CG ASP A 49 -6.150 11.617 -1.836 1.00 0.00 C ATOM 725 OD1 ASP A 49 -4.935 11.868 -1.699 1.00 0.00 O ATOM 726 OD2 ASP A 49 -6.880 12.196 -2.668 1.00 0.00 O ATOM 0 H ASP A 49 -5.047 10.639 0.838 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.254 12.146 0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.100 9.701 -0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.697 10.204 -1.402 1.00 0.00 H new ATOM 731 N LEU A 50 -8.092 9.369 1.845 1.00 0.00 N ATOM 732 CA LEU A 50 -9.195 8.628 2.447 1.00 0.00 C ATOM 733 C LEU A 50 -9.315 8.943 3.934 1.00 0.00 C ATOM 734 O LEU A 50 -10.412 8.933 4.494 1.00 0.00 O ATOM 735 CB LEU A 50 -8.994 7.124 2.247 1.00 0.00 C ATOM 736 CG LEU A 50 -9.101 6.618 0.808 1.00 0.00 C ATOM 737 CD1 LEU A 50 -8.881 5.114 0.753 1.00 0.00 C ATOM 738 CD2 LEU A 50 -10.453 6.984 0.213 1.00 0.00 C ATOM 0 H LEU A 50 -7.165 9.037 2.112 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.118 8.934 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.011 6.855 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.730 6.596 2.852 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.324 7.100 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.961 4.772 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.889 4.877 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.635 4.614 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.511 6.616 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.247 6.531 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.571 8.068 0.216 1.00 0.00 H new ATOM 750 N ILE A 51 -8.181 9.224 4.568 1.00 0.00 N ATOM 751 CA ILE A 51 -8.160 9.545 5.989 1.00 0.00 C ATOM 752 C ILE A 51 -9.255 10.547 6.342 1.00 0.00 C ATOM 753 O ILE A 51 -9.253 11.679 5.862 1.00 0.00 O ATOM 754 CB ILE A 51 -6.797 10.120 6.416 1.00 0.00 C ATOM 755 CG1 ILE A 51 -5.706 9.056 6.281 1.00 0.00 C ATOM 756 CG2 ILE A 51 -6.865 10.638 7.845 1.00 0.00 C ATOM 757 CD1 ILE A 51 -4.317 9.571 6.588 1.00 0.00 C ATOM 0 H ILE A 51 -7.265 9.236 4.119 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.336 8.613 6.526 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.549 10.954 5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.934 8.227 6.951 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.721 8.659 5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.894 11.041 8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.618 11.423 7.912 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.132 9.821 8.516 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.595 8.762 6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.069 10.380 5.901 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.285 9.942 7.612 1.00 0.00 H new ATOM 769 N GLY A 52 -10.188 10.122 7.188 1.00 0.00 N ATOM 770 CA GLY A 52 -11.275 10.994 7.593 1.00 0.00 C ATOM 771 C GLY A 52 -12.631 10.470 7.163 1.00 0.00 C ATOM 772 O GLY A 52 -13.623 10.638 7.872 1.00 0.00 O ATOM 0 H GLY A 52 -10.211 9.189 7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.260 11.108 8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.120 11.985 7.166 1.00 0.00 H new ATOM 776 N ARG A 53 -12.674 9.834 5.996 1.00 0.00 N ATOM 777 CA ARG A 53 -13.919 9.287 5.471 1.00 0.00 C ATOM 778 C ARG A 53 -14.287 7.990 6.186 1.00 0.00 C ATOM 779 O ARG A 53 -13.421 7.169 6.488 1.00 0.00 O ATOM 780 CB ARG A 53 -13.796 9.036 3.967 1.00 0.00 C ATOM 781 CG ARG A 53 -13.519 10.294 3.160 1.00 0.00 C ATOM 782 CD ARG A 53 -13.919 10.121 1.703 1.00 0.00 C ATOM 783 NE ARG A 53 -14.297 11.389 1.085 1.00 0.00 N ATOM 784 CZ ARG A 53 -15.443 12.014 1.331 1.00 0.00 C ATOM 785 NH1 ARG A 53 -16.319 11.490 2.178 1.00 0.00 N ATOM 786 NH2 ARG A 53 -15.715 13.165 0.729 1.00 0.00 N ATOM 0 H ARG A 53 -11.862 9.685 5.397 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.710 10.016 5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -12.995 8.318 3.791 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.718 8.579 3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.066 11.132 3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.459 10.540 3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.090 9.681 1.149 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.753 9.422 1.637 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.645 11.818 0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.113 10.605 2.642 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.198 11.972 2.365 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.044 13.570 0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.595 13.644 0.919 1.00 0.00 H new ATOM 800 N ALA A 54 -15.577 7.813 6.453 1.00 0.00 N ATOM 801 CA ALA A 54 -16.059 6.615 7.130 1.00 0.00 C ATOM 802 C ALA A 54 -16.345 5.498 6.133 1.00 0.00 C ATOM 803 O ALA A 54 -16.149 4.320 6.433 1.00 0.00 O ATOM 804 CB ALA A 54 -17.307 6.934 7.940 1.00 0.00 C ATOM 0 H ALA A 54 -16.307 8.483 6.211 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.277 6.270 7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.657 6.031 8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.073 7.694 8.685 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.087 7.306 7.275 1.00 0.00 H new ATOM 810 N ASP A 55 -16.809 5.874 4.947 1.00 0.00 N ATOM 811 CA ASP A 55 -17.121 4.903 3.905 1.00 0.00 C ATOM 812 C ASP A 55 -15.954 3.946 3.686 1.00 0.00 C ATOM 813 O ASP A 55 -16.121 2.727 3.724 1.00 0.00 O ATOM 814 CB ASP A 55 -17.462 5.618 2.597 1.00 0.00 C ATOM 815 CG ASP A 55 -16.682 6.906 2.420 1.00 0.00 C ATOM 816 OD1 ASP A 55 -17.045 7.913 3.063 1.00 0.00 O ATOM 817 OD2 ASP A 55 -15.707 6.907 1.639 1.00 0.00 O ATOM 0 H ASP A 55 -16.978 6.845 4.683 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.986 4.324 4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.255 4.953 1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.529 5.837 2.574 1.00 0.00 H new ATOM 822 N VAL A 56 -14.771 4.507 3.456 1.00 0.00 N ATOM 823 CA VAL A 56 -13.575 3.704 3.231 1.00 0.00 C ATOM 824 C VAL A 56 -13.419 2.636 4.309 1.00 0.00 C ATOM 825 O VAL A 56 -13.115 1.480 4.012 1.00 0.00 O ATOM 826 CB VAL A 56 -12.307 4.579 3.205 1.00 0.00 C ATOM 827 CG1 VAL A 56 -12.214 5.421 4.468 1.00 0.00 C ATOM 828 CG2 VAL A 56 -11.067 3.715 3.038 1.00 0.00 C ATOM 0 H VAL A 56 -14.615 5.514 3.421 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.696 3.223 2.260 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.369 5.253 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.312 6.032 4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.088 6.068 4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.174 4.767 5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.181 4.350 3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.997 3.015 3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.133 3.160 2.102 1.00 0.00 H new ATOM 838 N ASP A 57 -13.630 3.030 5.559 1.00 0.00 N ATOM 839 CA ASP A 57 -13.515 2.107 6.682 1.00 0.00 C ATOM 840 C ASP A 57 -14.638 1.075 6.654 1.00 0.00 C ATOM 841 O ASP A 57 -14.389 -0.131 6.659 1.00 0.00 O ATOM 842 CB ASP A 57 -13.542 2.873 8.005 1.00 0.00 C ATOM 843 CG ASP A 57 -12.256 3.634 8.260 1.00 0.00 C ATOM 844 OD1 ASP A 57 -11.985 4.604 7.522 1.00 0.00 O ATOM 845 OD2 ASP A 57 -11.520 3.259 9.197 1.00 0.00 O ATOM 0 H ASP A 57 -13.882 3.983 5.821 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.563 1.584 6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.379 3.571 8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.715 2.174 8.823 1.00 0.00 H new ATOM 850 N LYS A 58 -15.876 1.557 6.626 1.00 0.00 N ATOM 851 CA LYS A 58 -17.039 0.678 6.597 1.00 0.00 C ATOM 852 C LYS A 58 -16.833 -0.466 5.609 1.00 0.00 C ATOM 853 O LYS A 58 -16.929 -1.638 5.973 1.00 0.00 O ATOM 854 CB LYS A 58 -18.294 1.470 6.222 1.00 0.00 C ATOM 855 CG LYS A 58 -19.576 0.879 6.782 1.00 0.00 C ATOM 856 CD LYS A 58 -20.798 1.647 6.306 1.00 0.00 C ATOM 857 CE LYS A 58 -22.056 0.797 6.385 1.00 0.00 C ATOM 858 NZ LYS A 58 -22.488 0.574 7.793 1.00 0.00 N ATOM 0 H LYS A 58 -16.100 2.552 6.623 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.168 0.255 7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.188 2.494 6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.371 1.520 5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.660 -0.164 6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.538 0.892 7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.925 2.544 6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.644 1.977 5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.859 1.284 5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.875 -0.164 5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.349 -0.010 7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -21.732 0.086 8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -22.685 1.490 8.245 1.00 0.00 H new ATOM 872 N ILE A 59 -16.547 -0.117 4.359 1.00 0.00 N ATOM 873 CA ILE A 59 -16.324 -1.115 3.320 1.00 0.00 C ATOM 874 C ILE A 59 -15.352 -2.191 3.791 1.00 0.00 C ATOM 875 O ILE A 59 -15.651 -3.384 3.727 1.00 0.00 O ATOM 876 CB ILE A 59 -15.778 -0.473 2.031 1.00 0.00 C ATOM 877 CG1 ILE A 59 -16.756 0.579 1.506 1.00 0.00 C ATOM 878 CG2 ILE A 59 -15.522 -1.539 0.976 1.00 0.00 C ATOM 879 CD1 ILE A 59 -16.191 1.423 0.384 1.00 0.00 C ATOM 0 H ILE A 59 -16.464 0.849 4.041 1.00 0.00 H new ATOM 0 HA ILE A 59 -17.291 -1.571 3.107 1.00 0.00 H new ATOM 0 HB ILE A 59 -14.833 0.019 2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.660 0.080 1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.051 1.232 2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.136 -1.070 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.792 -2.256 1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.454 -2.056 0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -16.939 2.147 0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.304 1.950 0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.922 0.781 -0.455 1.00 0.00 H new ATOM 891 N ILE A 60 -14.187 -1.761 4.265 1.00 0.00 N ATOM 892 CA ILE A 60 -13.171 -2.688 4.749 1.00 0.00 C ATOM 893 C ILE A 60 -13.715 -3.560 5.875 1.00 0.00 C ATOM 894 O ILE A 60 -13.507 -4.773 5.889 1.00 0.00 O ATOM 895 CB ILE A 60 -11.922 -1.941 5.251 1.00 0.00 C ATOM 896 CG1 ILE A 60 -11.215 -1.243 4.087 1.00 0.00 C ATOM 897 CG2 ILE A 60 -10.975 -2.904 5.952 1.00 0.00 C ATOM 898 CD1 ILE A 60 -10.262 -0.153 4.525 1.00 0.00 C ATOM 0 H ILE A 60 -13.924 -0.777 4.324 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.892 -3.320 3.906 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.235 -1.182 5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.664 -1.985 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.964 -0.814 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.097 -2.361 6.301 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.483 -3.359 6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.666 -3.683 5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.797 0.298 3.648 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.811 0.610 5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.490 -0.580 5.166 1.00 0.00 H new ATOM 910 N GLN A 61 -14.414 -2.934 6.816 1.00 0.00 N ATOM 911 CA GLN A 61 -14.989 -3.655 7.946 1.00 0.00 C ATOM 912 C GLN A 61 -15.858 -4.813 7.468 1.00 0.00 C ATOM 913 O GLN A 61 -15.657 -5.959 7.870 1.00 0.00 O ATOM 914 CB GLN A 61 -15.817 -2.706 8.815 1.00 0.00 C ATOM 915 CG GLN A 61 -14.996 -1.603 9.464 1.00 0.00 C ATOM 916 CD GLN A 61 -15.591 -1.127 10.774 1.00 0.00 C ATOM 917 OE1 GLN A 61 -15.864 0.061 10.950 1.00 0.00 O ATOM 918 NE2 GLN A 61 -15.796 -2.053 11.703 1.00 0.00 N ATOM 0 H GLN A 61 -14.596 -1.930 6.819 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.170 -4.061 8.540 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.598 -2.254 8.203 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.316 -3.282 9.594 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -13.983 -1.965 9.640 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.919 -0.760 8.777 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.555 -3.026 11.515 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -16.194 -1.791 12.605 1.00 0.00 H new ATOM 927 N GLU A 62 -16.824 -4.506 6.608 1.00 0.00 N ATOM 928 CA GLU A 62 -17.724 -5.523 6.076 1.00 0.00 C ATOM 929 C GLU A 62 -17.534 -5.685 4.571 1.00 0.00 C ATOM 930 O GLU A 62 -18.153 -4.991 3.763 1.00 0.00 O ATOM 931 CB GLU A 62 -19.179 -5.159 6.381 1.00 0.00 C ATOM 932 CG GLU A 62 -20.189 -6.066 5.700 1.00 0.00 C ATOM 933 CD GLU A 62 -20.562 -7.265 6.549 1.00 0.00 C ATOM 934 OE1 GLU A 62 -19.695 -7.750 7.306 1.00 0.00 O ATOM 935 OE2 GLU A 62 -21.722 -7.719 6.457 1.00 0.00 O ATOM 0 H GLU A 62 -17.003 -3.562 6.265 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.485 -6.471 6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.336 -5.199 7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.360 -4.130 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -21.088 -5.494 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.780 -6.411 4.751 1.00 0.00 H new ATOM 942 N PRO A 63 -16.656 -6.622 4.183 1.00 0.00 N ATOM 943 CA PRO A 63 -16.363 -6.897 2.773 1.00 0.00 C ATOM 944 C PRO A 63 -17.535 -7.558 2.056 1.00 0.00 C ATOM 945 O PRO A 63 -18.334 -8.278 2.655 1.00 0.00 O ATOM 946 CB PRO A 63 -15.169 -7.852 2.839 1.00 0.00 C ATOM 947 CG PRO A 63 -15.284 -8.512 4.169 1.00 0.00 C ATOM 948 CD PRO A 63 -15.882 -7.485 5.090 1.00 0.00 C ATOM 0 HA PRO A 63 -16.165 -5.984 2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.201 -8.582 2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.226 -7.314 2.745 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.915 -9.399 4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.308 -8.838 4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.518 -7.945 5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.112 -6.923 5.619 1.00 0.00 H new ATOM 956 N PRO A 64 -17.642 -7.310 0.742 1.00 0.00 N ATOM 957 CA PRO A 64 -18.713 -7.874 -0.085 1.00 0.00 C ATOM 958 C PRO A 64 -18.564 -9.378 -0.282 1.00 0.00 C ATOM 959 O PRO A 64 -19.525 -10.133 -0.131 1.00 0.00 O ATOM 960 CB PRO A 64 -18.553 -7.141 -1.420 1.00 0.00 C ATOM 961 CG PRO A 64 -17.119 -6.739 -1.462 1.00 0.00 C ATOM 962 CD PRO A 64 -16.725 -6.461 -0.037 1.00 0.00 C ATOM 0 HA PRO A 64 -19.693 -7.744 0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.808 -7.788 -2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.209 -6.273 -1.476 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.504 -7.531 -1.890 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.979 -5.856 -2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.682 -6.719 0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.842 -5.407 0.214 1.00 0.00 H new ATOM 970 N HIS A 65 -17.352 -9.809 -0.619 1.00 0.00 N ATOM 971 CA HIS A 65 -17.077 -11.225 -0.835 1.00 0.00 C ATOM 972 C HIS A 65 -17.236 -12.013 0.461 1.00 0.00 C ATOM 973 O HIS A 65 -17.968 -13.001 0.514 1.00 0.00 O ATOM 974 CB HIS A 65 -15.664 -11.412 -1.389 1.00 0.00 C ATOM 975 CG HIS A 65 -14.596 -11.350 -0.341 1.00 0.00 C ATOM 976 ND1 HIS A 65 -14.197 -10.174 0.258 1.00 0.00 N ATOM 977 CD2 HIS A 65 -13.844 -12.328 0.215 1.00 0.00 C ATOM 978 CE1 HIS A 65 -13.245 -10.431 1.137 1.00 0.00 C ATOM 979 NE2 HIS A 65 -13.012 -11.731 1.130 1.00 0.00 N ATOM 0 H HIS A 65 -16.545 -9.198 -0.748 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.797 -11.604 -1.560 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.607 -12.374 -1.898 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -15.472 -10.644 -2.138 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.890 -13.382 -0.018 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.743 -9.702 1.756 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.325 -12.213 1.710 1.00 0.00 H new