USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 382 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 160 GLN : amide:sc= -2.58 K(o=-2.6,f=-3.3!) USER MOD Single : A 166 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 88:sc= 0.652 USER MOD Single : A 185 ASN : amide:sc= -5.66! C(o=-5.7!,f=-5.6!) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 195 GLN : amide:sc= -4.3 K(o=-4.3,f=-7.6!) USER MOD Single : A 205 SER OG : rot -138:sc= 0.406 USER MOD Single : A 206 ASN : amide:sc= -0.428 K(o=-0.43,f=-3.2!) USER MOD Single : A 207 TYR OH : rot 180:sc= 0 USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N PHE A 158 -5.577 4.526 -4.625 1.00 0.00 N ATOM 90 CA PHE A 158 -4.846 3.424 -5.239 1.00 0.00 C ATOM 91 C PHE A 158 -3.381 3.793 -5.448 1.00 0.00 C ATOM 92 O PHE A 158 -3.065 4.884 -5.920 1.00 0.00 O ATOM 93 CB PHE A 158 -5.482 3.045 -6.578 1.00 0.00 C ATOM 94 CG PHE A 158 -6.958 2.778 -6.487 1.00 0.00 C ATOM 95 CD1 PHE A 158 -7.426 1.548 -6.049 1.00 0.00 C ATOM 96 CD2 PHE A 158 -7.875 3.755 -6.838 1.00 0.00 C ATOM 97 CE1 PHE A 158 -8.783 1.300 -5.965 1.00 0.00 C ATOM 98 CE2 PHE A 158 -9.233 3.511 -6.755 1.00 0.00 C ATOM 99 CZ PHE A 158 -9.687 2.282 -6.318 1.00 0.00 C ATOM 0 HA PHE A 158 -4.896 2.569 -4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -5.310 3.849 -7.293 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -4.984 2.158 -6.970 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -6.723 0.777 -5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -7.525 4.718 -7.180 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -9.136 0.338 -5.623 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -9.938 4.281 -7.032 1.00 0.00 H new ATOM 0 HZ PHE A 158 -10.748 2.089 -6.253 1.00 0.00 H new ATOM 109 N VAL A 159 -2.489 2.874 -5.090 1.00 0.00 N ATOM 110 CA VAL A 159 -1.057 3.102 -5.237 1.00 0.00 C ATOM 111 C VAL A 159 -0.385 1.936 -5.953 1.00 0.00 C ATOM 112 O VAL A 159 -0.866 0.805 -5.905 1.00 0.00 O ATOM 113 CB VAL A 159 -0.376 3.309 -3.872 1.00 0.00 C ATOM 114 CG1 VAL A 159 -0.703 4.686 -3.315 1.00 0.00 C ATOM 115 CG2 VAL A 159 -0.794 2.219 -2.896 1.00 0.00 C ATOM 0 H VAL A 159 -2.733 1.965 -4.696 1.00 0.00 H new ATOM 0 HA VAL A 159 -0.943 4.007 -5.833 1.00 0.00 H new ATOM 0 HB VAL A 159 0.703 3.246 -4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -0.213 4.814 -2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -0.349 5.451 -4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -1.782 4.781 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -0.303 2.382 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -1.875 2.248 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -0.504 1.246 -3.292 1.00 0.00 H new ATOM 125 N GLN A 160 0.732 2.220 -6.617 1.00 0.00 N ATOM 126 CA GLN A 160 1.471 1.194 -7.344 1.00 0.00 C ATOM 127 C GLN A 160 2.848 0.979 -6.724 1.00 0.00 C ATOM 128 O GLN A 160 3.690 1.878 -6.733 1.00 0.00 O ATOM 129 CB GLN A 160 1.615 1.584 -8.815 1.00 0.00 C ATOM 130 CG GLN A 160 1.520 0.404 -9.769 1.00 0.00 C ATOM 131 CD GLN A 160 2.526 0.487 -10.901 1.00 0.00 C ATOM 132 OE1 GLN A 160 3.168 1.519 -11.102 1.00 0.00 O ATOM 133 NE2 GLN A 160 2.670 -0.602 -11.647 1.00 0.00 N ATOM 0 H GLN A 160 1.144 3.152 -6.666 1.00 0.00 H new ATOM 0 HA GLN A 160 0.911 0.261 -7.278 1.00 0.00 H new ATOM 0 HB2 GLN A 160 0.841 2.308 -9.068 1.00 0.00 H new ATOM 0 HB3 GLN A 160 2.575 2.080 -8.959 1.00 0.00 H new ATOM 0 HG2 GLN A 160 1.678 -0.521 -9.214 1.00 0.00 H new ATOM 0 HG3 GLN A 160 0.514 0.358 -10.185 1.00 0.00 H new ATOM 0 HE21 GLN A 160 2.118 -1.435 -11.445 1.00 0.00 H new ATOM 0 HE22 GLN A 160 3.333 -0.605 -12.422 1.00 0.00 H new ATOM 142 N ALA A 161 3.069 -0.214 -6.186 1.00 0.00 N ATOM 143 CA ALA A 161 4.340 -0.550 -5.559 1.00 0.00 C ATOM 144 C ALA A 161 5.475 -0.564 -6.576 1.00 0.00 C ATOM 145 O ALA A 161 5.254 -0.799 -7.763 1.00 0.00 O ATOM 146 CB ALA A 161 4.239 -1.899 -4.865 1.00 0.00 C ATOM 0 H ALA A 161 2.381 -0.967 -6.172 1.00 0.00 H new ATOM 0 HA ALA A 161 4.564 0.218 -4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 161 5.194 -2.141 -4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 161 3.463 -1.858 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 161 3.987 -2.667 -5.597 1.00 0.00 H new ATOM 152 N LEU A 162 6.694 -0.325 -6.100 1.00 0.00 N ATOM 153 CA LEU A 162 7.865 -0.325 -6.972 1.00 0.00 C ATOM 154 C LEU A 162 8.769 -1.524 -6.688 1.00 0.00 C ATOM 155 O LEU A 162 9.913 -1.568 -7.139 1.00 0.00 O ATOM 156 CB LEU A 162 8.660 0.972 -6.821 1.00 0.00 C ATOM 157 CG LEU A 162 8.817 1.475 -5.385 1.00 0.00 C ATOM 158 CD1 LEU A 162 10.287 1.578 -5.008 1.00 0.00 C ATOM 159 CD2 LEU A 162 8.125 2.819 -5.216 1.00 0.00 C ATOM 0 H LEU A 162 6.896 -0.130 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 162 7.505 -0.399 -7.998 1.00 0.00 H new ATOM 0 HB2 LEU A 162 9.652 0.823 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 162 8.173 1.749 -7.410 1.00 0.00 H new ATOM 0 HG LEU A 162 8.345 0.756 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 162 10.375 1.938 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 162 10.753 0.596 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 162 10.787 2.274 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 162 8.246 3.164 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 162 8.569 3.545 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 162 7.064 2.713 -5.441 1.00 0.00 H new ATOM 171 N PHE A 163 8.247 -2.500 -5.945 1.00 0.00 N ATOM 172 CA PHE A 163 9.010 -3.698 -5.613 1.00 0.00 C ATOM 173 C PHE A 163 8.113 -4.754 -4.970 1.00 0.00 C ATOM 174 O PHE A 163 6.888 -4.673 -5.048 1.00 0.00 O ATOM 175 CB PHE A 163 10.182 -3.349 -4.687 1.00 0.00 C ATOM 176 CG PHE A 163 9.806 -3.210 -3.235 1.00 0.00 C ATOM 177 CD1 PHE A 163 8.580 -2.681 -2.866 1.00 0.00 C ATOM 178 CD2 PHE A 163 10.686 -3.611 -2.242 1.00 0.00 C ATOM 179 CE1 PHE A 163 8.237 -2.556 -1.533 1.00 0.00 C ATOM 180 CE2 PHE A 163 10.348 -3.488 -0.906 1.00 0.00 C ATOM 181 CZ PHE A 163 9.122 -2.960 -0.552 1.00 0.00 C ATOM 0 H PHE A 163 7.301 -2.483 -5.564 1.00 0.00 H new ATOM 0 HA PHE A 163 9.412 -4.113 -6.538 1.00 0.00 H new ATOM 0 HB2 PHE A 163 10.945 -4.121 -4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 163 10.631 -2.415 -5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 163 7.884 -2.363 -3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 163 11.646 -4.024 -2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 163 7.278 -2.143 -1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 163 11.042 -3.804 -0.141 1.00 0.00 H new ATOM 0 HZ PHE A 163 8.855 -2.863 0.490 1.00 0.00 H new ATOM 191 N ASP A 164 8.732 -5.743 -4.335 1.00 0.00 N ATOM 192 CA ASP A 164 7.990 -6.814 -3.677 1.00 0.00 C ATOM 193 C ASP A 164 8.208 -6.779 -2.168 1.00 0.00 C ATOM 194 O ASP A 164 9.290 -6.428 -1.696 1.00 0.00 O ATOM 195 CB ASP A 164 8.415 -8.174 -4.234 1.00 0.00 C ATOM 196 CG ASP A 164 8.121 -8.309 -5.716 1.00 0.00 C ATOM 197 OD1 ASP A 164 6.938 -8.194 -6.100 1.00 0.00 O ATOM 198 OD2 ASP A 164 9.075 -8.527 -6.493 1.00 0.00 O ATOM 0 H ASP A 164 9.746 -5.826 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 164 6.929 -6.663 -3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 164 9.482 -8.316 -4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 164 7.897 -8.964 -3.690 1.00 0.00 H new ATOM 203 N PHE A 165 7.176 -7.143 -1.415 1.00 0.00 N ATOM 204 CA PHE A 165 7.258 -7.152 0.040 1.00 0.00 C ATOM 205 C PHE A 165 6.638 -8.422 0.616 1.00 0.00 C ATOM 206 O PHE A 165 5.434 -8.647 0.493 1.00 0.00 O ATOM 207 CB PHE A 165 6.558 -5.923 0.620 1.00 0.00 C ATOM 208 CG PHE A 165 6.988 -5.595 2.022 1.00 0.00 C ATOM 209 CD1 PHE A 165 8.171 -4.916 2.255 1.00 0.00 C ATOM 210 CD2 PHE A 165 6.208 -5.967 3.105 1.00 0.00 C ATOM 211 CE1 PHE A 165 8.571 -4.612 3.542 1.00 0.00 C ATOM 212 CE2 PHE A 165 6.601 -5.667 4.395 1.00 0.00 C ATOM 213 CZ PHE A 165 7.784 -4.988 4.615 1.00 0.00 C ATOM 0 H PHE A 165 6.273 -7.436 -1.788 1.00 0.00 H new ATOM 0 HA PHE A 165 8.312 -7.127 0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 165 6.756 -5.065 -0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 165 5.481 -6.089 0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 165 8.789 -4.620 1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 165 5.282 -6.498 2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 165 9.497 -4.082 3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 165 5.984 -5.963 5.231 1.00 0.00 H new ATOM 0 HZ PHE A 165 8.093 -4.752 5.622 1.00 0.00 H new ATOM 223 N ASN A 166 7.468 -9.244 1.248 1.00 0.00 N ATOM 224 CA ASN A 166 7.005 -10.490 1.846 1.00 0.00 C ATOM 225 C ASN A 166 7.091 -10.422 3.368 1.00 0.00 C ATOM 226 O ASN A 166 8.080 -10.849 3.963 1.00 0.00 O ATOM 227 CB ASN A 166 7.830 -11.670 1.328 1.00 0.00 C ATOM 228 CG ASN A 166 7.116 -12.996 1.501 1.00 0.00 C ATOM 229 OD1 ASN A 166 7.195 -13.623 2.557 1.00 0.00 O ATOM 230 ND2 ASN A 166 6.414 -13.430 0.461 1.00 0.00 N ATOM 0 H ASN A 166 8.467 -9.069 1.359 1.00 0.00 H new ATOM 0 HA ASN A 166 5.963 -10.636 1.562 1.00 0.00 H new ATOM 0 HB2 ASN A 166 8.055 -11.517 0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 166 8.783 -11.702 1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 166 5.912 -14.316 0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 166 6.376 -12.877 -0.395 1.00 0.00 H new ATOM 237 N PRO A 167 6.049 -9.881 4.023 1.00 0.00 N ATOM 238 CA PRO A 167 6.011 -9.757 5.480 1.00 0.00 C ATOM 239 C PRO A 167 5.708 -11.082 6.169 1.00 0.00 C ATOM 240 O PRO A 167 4.613 -11.628 6.036 1.00 0.00 O ATOM 241 CB PRO A 167 4.878 -8.761 5.717 1.00 0.00 C ATOM 242 CG PRO A 167 3.964 -8.948 4.554 1.00 0.00 C ATOM 243 CD PRO A 167 4.827 -9.347 3.391 1.00 0.00 C ATOM 0 HA PRO A 167 6.971 -9.440 5.888 1.00 0.00 H new ATOM 0 HB2 PRO A 167 4.367 -8.959 6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 167 5.253 -7.739 5.766 1.00 0.00 H new ATOM 0 HG2 PRO A 167 3.220 -9.716 4.766 1.00 0.00 H new ATOM 0 HG3 PRO A 167 3.421 -8.028 4.336 1.00 0.00 H new ATOM 0 HD2 PRO A 167 4.338 -10.097 2.769 1.00 0.00 H new ATOM 0 HD3 PRO A 167 5.049 -8.496 2.748 1.00 0.00 H new ATOM 251 N GLN A 168 6.688 -11.594 6.910 1.00 0.00 N ATOM 252 CA GLN A 168 6.526 -12.853 7.624 1.00 0.00 C ATOM 253 C GLN A 168 5.687 -12.660 8.883 1.00 0.00 C ATOM 254 O GLN A 168 5.022 -13.586 9.346 1.00 0.00 O ATOM 255 CB GLN A 168 7.894 -13.432 7.991 1.00 0.00 C ATOM 256 CG GLN A 168 7.930 -14.953 7.985 1.00 0.00 C ATOM 257 CD GLN A 168 8.767 -15.520 9.117 1.00 0.00 C ATOM 258 OE1 GLN A 168 9.829 -14.991 9.444 1.00 0.00 O ATOM 259 NE2 GLN A 168 8.290 -16.601 9.721 1.00 0.00 N ATOM 0 H GLN A 168 7.601 -11.155 7.030 1.00 0.00 H new ATOM 0 HA GLN A 168 6.007 -13.552 6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 168 8.639 -13.056 7.290 1.00 0.00 H new ATOM 0 HB3 GLN A 168 8.178 -13.074 8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 168 6.913 -15.337 8.062 1.00 0.00 H new ATOM 0 HG3 GLN A 168 8.331 -15.300 7.032 1.00 0.00 H new ATOM 0 HE21 GLN A 168 7.405 -17.006 9.417 1.00 0.00 H new ATOM 0 HE22 GLN A 168 8.809 -17.026 10.489 1.00 0.00 H new ATOM 268 N GLU A 169 5.724 -11.449 9.433 1.00 0.00 N ATOM 269 CA GLU A 169 4.965 -11.134 10.638 1.00 0.00 C ATOM 270 C GLU A 169 3.634 -10.480 10.285 1.00 0.00 C ATOM 271 O GLU A 169 3.366 -10.183 9.120 1.00 0.00 O ATOM 272 CB GLU A 169 5.776 -10.210 11.548 1.00 0.00 C ATOM 273 CG GLU A 169 7.212 -10.663 11.748 1.00 0.00 C ATOM 274 CD GLU A 169 7.874 -9.996 12.940 1.00 0.00 C ATOM 275 OE1 GLU A 169 7.403 -8.914 13.351 1.00 0.00 O ATOM 276 OE2 GLU A 169 8.862 -10.554 13.460 1.00 0.00 O ATOM 0 H GLU A 169 6.271 -10.671 9.063 1.00 0.00 H new ATOM 0 HA GLU A 169 4.763 -12.066 11.166 1.00 0.00 H new ATOM 0 HB2 GLU A 169 5.776 -9.205 11.125 1.00 0.00 H new ATOM 0 HB3 GLU A 169 5.285 -10.147 12.519 1.00 0.00 H new ATOM 0 HG2 GLU A 169 7.232 -11.744 11.884 1.00 0.00 H new ATOM 0 HG3 GLU A 169 7.787 -10.444 10.848 1.00 0.00 H new ATOM 283 N SER A 170 2.802 -10.257 11.298 1.00 0.00 N ATOM 284 CA SER A 170 1.498 -9.638 11.092 1.00 0.00 C ATOM 285 C SER A 170 1.590 -8.121 11.210 1.00 0.00 C ATOM 286 O SER A 170 2.445 -7.593 11.922 1.00 0.00 O ATOM 287 CB SER A 170 0.487 -10.181 12.105 1.00 0.00 C ATOM 288 OG SER A 170 0.251 -11.562 11.899 1.00 0.00 O ATOM 0 H SER A 170 3.008 -10.496 12.268 1.00 0.00 H new ATOM 0 HA SER A 170 1.162 -9.885 10.085 1.00 0.00 H new ATOM 0 HB2 SER A 170 0.859 -10.019 13.117 1.00 0.00 H new ATOM 0 HB3 SER A 170 -0.450 -9.632 12.018 1.00 0.00 H new ATOM 0 HG SER A 170 -0.397 -11.885 12.560 1.00 0.00 H new ATOM 294 N GLY A 171 0.702 -7.425 10.507 1.00 0.00 N ATOM 295 CA GLY A 171 0.700 -5.975 10.544 1.00 0.00 C ATOM 296 C GLY A 171 1.082 -5.365 9.211 1.00 0.00 C ATOM 297 O GLY A 171 0.542 -4.334 8.813 1.00 0.00 O ATOM 0 H GLY A 171 -0.016 -7.840 9.913 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -0.291 -5.623 10.832 1.00 0.00 H new ATOM 0 HA3 GLY A 171 1.395 -5.632 11.310 1.00 0.00 H new ATOM 301 N GLU A 172 2.017 -6.006 8.520 1.00 0.00 N ATOM 302 CA GLU A 172 2.475 -5.524 7.220 1.00 0.00 C ATOM 303 C GLU A 172 1.720 -6.215 6.092 1.00 0.00 C ATOM 304 O GLU A 172 1.571 -7.437 6.090 1.00 0.00 O ATOM 305 CB GLU A 172 3.978 -5.759 7.066 1.00 0.00 C ATOM 306 CG GLU A 172 4.815 -5.063 8.126 1.00 0.00 C ATOM 307 CD GLU A 172 5.955 -5.927 8.627 1.00 0.00 C ATOM 308 OE1 GLU A 172 6.670 -6.515 7.788 1.00 0.00 O ATOM 309 OE2 GLU A 172 6.134 -6.015 9.860 1.00 0.00 O ATOM 0 H GLU A 172 2.474 -6.861 8.837 1.00 0.00 H new ATOM 0 HA GLU A 172 2.277 -4.454 7.164 1.00 0.00 H new ATOM 0 HB2 GLU A 172 4.175 -6.830 7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 172 4.292 -5.412 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.219 -4.137 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 172 4.176 -4.788 8.965 1.00 0.00 H new ATOM 316 N LEU A 173 1.238 -5.428 5.134 1.00 0.00 N ATOM 317 CA LEU A 173 0.492 -5.977 4.006 1.00 0.00 C ATOM 318 C LEU A 173 1.435 -6.648 3.008 1.00 0.00 C ATOM 319 O LEU A 173 2.545 -6.172 2.771 1.00 0.00 O ATOM 320 CB LEU A 173 -0.339 -4.873 3.328 1.00 0.00 C ATOM 321 CG LEU A 173 -0.176 -4.732 1.811 1.00 0.00 C ATOM 322 CD1 LEU A 173 -0.988 -5.794 1.090 1.00 0.00 C ATOM 323 CD2 LEU A 173 -0.595 -3.339 1.360 1.00 0.00 C ATOM 0 H LEU A 173 1.350 -4.414 5.116 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.193 -6.739 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 173 -1.392 -5.057 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 173 -0.082 -3.920 3.789 1.00 0.00 H new ATOM 0 HG LEU A 173 0.875 -4.874 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -0.862 -5.680 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.644 -6.783 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -2.042 -5.682 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -0.474 -3.254 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.640 -3.171 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 173 0.028 -2.594 1.855 1.00 0.00 H new ATOM 335 N ALA A 174 0.980 -7.747 2.417 1.00 0.00 N ATOM 336 CA ALA A 174 1.777 -8.473 1.435 1.00 0.00 C ATOM 337 C ALA A 174 1.421 -8.023 0.023 1.00 0.00 C ATOM 338 O ALA A 174 0.303 -8.241 -0.443 1.00 0.00 O ATOM 339 CB ALA A 174 1.567 -9.972 1.585 1.00 0.00 C ATOM 0 H ALA A 174 0.063 -8.155 2.601 1.00 0.00 H new ATOM 0 HA ALA A 174 2.830 -8.252 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 174 2.169 -10.500 0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 174 1.867 -10.283 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 174 0.514 -10.209 1.432 1.00 0.00 H new ATOM 345 N PHE A 175 2.372 -7.382 -0.651 1.00 0.00 N ATOM 346 CA PHE A 175 2.140 -6.893 -2.005 1.00 0.00 C ATOM 347 C PHE A 175 3.303 -7.236 -2.930 1.00 0.00 C ATOM 348 O PHE A 175 4.303 -7.813 -2.503 1.00 0.00 O ATOM 349 CB PHE A 175 1.912 -5.380 -1.990 1.00 0.00 C ATOM 350 CG PHE A 175 2.963 -4.608 -1.239 1.00 0.00 C ATOM 351 CD1 PHE A 175 3.121 -4.770 0.127 1.00 0.00 C ATOM 352 CD2 PHE A 175 3.788 -3.717 -1.904 1.00 0.00 C ATOM 353 CE1 PHE A 175 4.085 -4.058 0.817 1.00 0.00 C ATOM 354 CE2 PHE A 175 4.753 -3.001 -1.222 1.00 0.00 C ATOM 355 CZ PHE A 175 4.900 -3.170 0.140 1.00 0.00 C ATOM 0 H PHE A 175 3.304 -7.190 -0.284 1.00 0.00 H new ATOM 0 HA PHE A 175 1.248 -7.388 -2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 175 1.876 -5.019 -3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 175 0.938 -5.174 -1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 175 2.484 -5.460 0.660 1.00 0.00 H new ATOM 0 HD2 PHE A 175 3.676 -3.580 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.201 -4.195 1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 175 5.391 -2.310 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 175 5.651 -2.609 0.676 1.00 0.00 H new ATOM 365 N LYS A 176 3.160 -6.878 -4.203 1.00 0.00 N ATOM 366 CA LYS A 176 4.190 -7.147 -5.200 1.00 0.00 C ATOM 367 C LYS A 176 4.539 -5.880 -5.974 1.00 0.00 C ATOM 368 O LYS A 176 4.040 -4.800 -5.670 1.00 0.00 O ATOM 369 CB LYS A 176 3.724 -8.239 -6.164 1.00 0.00 C ATOM 370 CG LYS A 176 4.148 -9.639 -5.749 1.00 0.00 C ATOM 371 CD LYS A 176 3.105 -10.674 -6.139 1.00 0.00 C ATOM 372 CE LYS A 176 3.730 -12.044 -6.343 1.00 0.00 C ATOM 373 NZ LYS A 176 2.819 -13.141 -5.910 1.00 0.00 N ATOM 0 H LYS A 176 2.337 -6.399 -4.569 1.00 0.00 H new ATOM 0 HA LYS A 176 5.084 -7.491 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 176 2.637 -8.205 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 176 4.120 -8.028 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 176 5.101 -9.886 -6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 176 4.306 -9.668 -4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 176 2.341 -10.733 -5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 176 2.605 -10.361 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 176 3.981 -12.175 -7.395 1.00 0.00 H new ATOM 0 HE3 LYS A 176 4.663 -12.104 -5.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 3.282 -14.059 -6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 2.599 -13.031 -4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 1.939 -13.100 -6.462 1.00 0.00 H new ATOM 387 N ARG A 177 5.404 -6.023 -6.974 1.00 0.00 N ATOM 388 CA ARG A 177 5.828 -4.891 -7.792 1.00 0.00 C ATOM 389 C ARG A 177 4.697 -4.383 -8.681 1.00 0.00 C ATOM 390 O ARG A 177 3.928 -5.167 -9.236 1.00 0.00 O ATOM 391 CB ARG A 177 7.026 -5.282 -8.655 1.00 0.00 C ATOM 392 CG ARG A 177 8.115 -4.222 -8.705 1.00 0.00 C ATOM 393 CD ARG A 177 8.281 -3.656 -10.108 1.00 0.00 C ATOM 394 NE ARG A 177 8.702 -2.258 -10.086 1.00 0.00 N ATOM 395 CZ ARG A 177 9.954 -1.865 -9.868 1.00 0.00 C ATOM 396 NH1 ARG A 177 10.911 -2.760 -9.651 1.00 0.00 N ATOM 397 NH2 ARG A 177 10.254 -0.573 -9.867 1.00 0.00 N ATOM 0 H ARG A 177 5.826 -6.913 -7.238 1.00 0.00 H new ATOM 0 HA ARG A 177 6.113 -4.086 -7.115 1.00 0.00 H new ATOM 0 HB2 ARG A 177 7.451 -6.210 -8.272 1.00 0.00 H new ATOM 0 HB3 ARG A 177 6.681 -5.484 -9.669 1.00 0.00 H new ATOM 0 HG2 ARG A 177 7.871 -3.416 -8.013 1.00 0.00 H new ATOM 0 HG3 ARG A 177 9.059 -4.653 -8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 177 9.016 -4.248 -10.653 1.00 0.00 H new ATOM 0 HD3 ARG A 177 7.338 -3.743 -10.648 1.00 0.00 H new ATOM 0 HE ARG A 177 7.995 -1.541 -10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 177 10.688 -3.755 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 177 11.869 -2.452 -9.485 1.00 0.00 H new ATOM 0 HH21 ARG A 177 9.524 0.120 -10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 177 11.214 -0.273 -9.700 1.00 0.00 H new ATOM 411 N GLY A 178 4.611 -3.061 -8.813 1.00 0.00 N ATOM 412 CA GLY A 178 3.583 -2.453 -9.640 1.00 0.00 C ATOM 413 C GLY A 178 2.191 -2.951 -9.310 1.00 0.00 C ATOM 414 O GLY A 178 1.297 -2.919 -10.156 1.00 0.00 O ATOM 0 H GLY A 178 5.239 -2.398 -8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 178 3.616 -1.371 -9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 178 3.798 -2.659 -10.689 1.00 0.00 H new ATOM 418 N ASP A 179 2.006 -3.413 -8.081 1.00 0.00 N ATOM 419 CA ASP A 179 0.714 -3.919 -7.647 1.00 0.00 C ATOM 420 C ASP A 179 -0.179 -2.782 -7.155 1.00 0.00 C ATOM 421 O ASP A 179 0.191 -2.035 -6.248 1.00 0.00 O ATOM 422 CB ASP A 179 0.900 -4.982 -6.555 1.00 0.00 C ATOM 423 CG ASP A 179 0.943 -4.398 -5.155 1.00 0.00 C ATOM 424 OD1 ASP A 179 1.957 -3.754 -4.812 1.00 0.00 O ATOM 425 OD2 ASP A 179 -0.036 -4.588 -4.403 1.00 0.00 O ATOM 0 H ASP A 179 2.735 -3.447 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 179 0.220 -4.384 -8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 179 0.085 -5.703 -6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 179 1.824 -5.529 -6.742 1.00 0.00 H new ATOM 430 N VAL A 180 -1.356 -2.652 -7.758 1.00 0.00 N ATOM 431 CA VAL A 180 -2.294 -1.604 -7.378 1.00 0.00 C ATOM 432 C VAL A 180 -2.930 -1.911 -6.025 1.00 0.00 C ATOM 433 O VAL A 180 -3.834 -2.741 -5.928 1.00 0.00 O ATOM 434 CB VAL A 180 -3.407 -1.434 -8.430 1.00 0.00 C ATOM 435 CG1 VAL A 180 -4.294 -0.246 -8.086 1.00 0.00 C ATOM 436 CG2 VAL A 180 -2.809 -1.275 -9.820 1.00 0.00 C ATOM 0 H VAL A 180 -1.682 -3.259 -8.510 1.00 0.00 H new ATOM 0 HA VAL A 180 -1.727 -0.676 -7.313 1.00 0.00 H new ATOM 0 HB VAL A 180 -4.024 -2.332 -8.424 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.073 -0.143 -8.841 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -4.753 -0.405 -7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -3.692 0.662 -8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -3.610 -1.156 -10.549 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -2.166 -0.395 -9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -2.222 -2.160 -10.067 1.00 0.00 H new ATOM 446 N ILE A 181 -2.448 -1.241 -4.983 1.00 0.00 N ATOM 447 CA ILE A 181 -2.966 -1.447 -3.637 1.00 0.00 C ATOM 448 C ILE A 181 -4.008 -0.395 -3.274 1.00 0.00 C ATOM 449 O ILE A 181 -3.876 0.775 -3.633 1.00 0.00 O ATOM 450 CB ILE A 181 -1.837 -1.413 -2.588 1.00 0.00 C ATOM 451 CG1 ILE A 181 -0.689 -2.331 -3.010 1.00 0.00 C ATOM 452 CG2 ILE A 181 -2.370 -1.815 -1.220 1.00 0.00 C ATOM 453 CD1 ILE A 181 0.621 -2.012 -2.323 1.00 0.00 C ATOM 0 H ILE A 181 -1.699 -0.551 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 181 -3.433 -2.432 -3.631 1.00 0.00 H new ATOM 0 HB ILE A 181 -1.456 -0.394 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -0.962 -3.364 -2.794 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -0.552 -2.257 -4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -1.560 -1.786 -0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -3.156 -1.122 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -2.777 -2.825 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 181 1.391 -2.702 -2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 181 0.916 -0.990 -2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 181 0.501 -2.114 -1.245 1.00 0.00 H new ATOM 465 N THR A 182 -5.039 -0.819 -2.551 1.00 0.00 N ATOM 466 CA THR A 182 -6.102 0.086 -2.128 1.00 0.00 C ATOM 467 C THR A 182 -5.769 0.700 -0.774 1.00 0.00 C ATOM 468 O THR A 182 -5.963 0.074 0.268 1.00 0.00 O ATOM 469 CB THR A 182 -7.437 -0.658 -2.054 1.00 0.00 C ATOM 470 OG1 THR A 182 -7.524 -1.637 -3.073 1.00 0.00 O ATOM 471 CG2 THR A 182 -8.637 0.254 -2.188 1.00 0.00 C ATOM 0 H THR A 182 -5.161 -1.784 -2.245 1.00 0.00 H new ATOM 0 HA THR A 182 -6.187 0.886 -2.864 1.00 0.00 H new ATOM 0 HB THR A 182 -7.458 -1.117 -1.065 1.00 0.00 H new ATOM 0 HG1 THR A 182 -7.132 -2.477 -2.754 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.551 -0.336 -2.127 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.626 0.990 -1.384 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.599 0.766 -3.149 1.00 0.00 H new ATOM 479 N LEU A 183 -5.259 1.927 -0.795 1.00 0.00 N ATOM 480 CA LEU A 183 -4.888 2.625 0.432 1.00 0.00 C ATOM 481 C LEU A 183 -6.017 2.597 1.457 1.00 0.00 C ATOM 482 O LEU A 183 -7.130 3.048 1.184 1.00 0.00 O ATOM 483 CB LEU A 183 -4.503 4.073 0.130 1.00 0.00 C ATOM 484 CG LEU A 183 -3.888 4.835 1.307 1.00 0.00 C ATOM 485 CD1 LEU A 183 -2.603 4.162 1.767 1.00 0.00 C ATOM 486 CD2 LEU A 183 -3.627 6.282 0.923 1.00 0.00 C ATOM 0 H LEU A 183 -5.093 2.460 -1.649 1.00 0.00 H new ATOM 0 HA LEU A 183 -4.029 2.104 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -3.795 4.080 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.392 4.608 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 183 -4.596 4.821 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.181 4.718 2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.819 3.141 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -1.887 4.144 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.190 6.810 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.938 6.316 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -4.566 6.759 0.643 1.00 0.00 H new ATOM 498 N ILE A 184 -5.716 2.075 2.640 1.00 0.00 N ATOM 499 CA ILE A 184 -6.695 1.996 3.715 1.00 0.00 C ATOM 500 C ILE A 184 -6.651 3.258 4.568 1.00 0.00 C ATOM 501 O ILE A 184 -7.670 3.920 4.771 1.00 0.00 O ATOM 502 CB ILE A 184 -6.446 0.772 4.619 1.00 0.00 C ATOM 503 CG1 ILE A 184 -6.347 -0.505 3.782 1.00 0.00 C ATOM 504 CG2 ILE A 184 -7.549 0.643 5.659 1.00 0.00 C ATOM 505 CD1 ILE A 184 -5.605 -1.623 4.479 1.00 0.00 C ATOM 0 H ILE A 184 -4.798 1.699 2.879 1.00 0.00 H new ATOM 0 HA ILE A 184 -7.676 1.895 3.251 1.00 0.00 H new ATOM 0 HB ILE A 184 -5.498 0.917 5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -7.352 -0.846 3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.845 -0.276 2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -7.356 -0.226 6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -7.573 1.540 6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -8.509 0.523 5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.572 -2.498 3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.589 -1.300 4.705 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.119 -1.878 5.406 1.00 0.00 H new ATOM 517 N ASN A 185 -5.460 3.588 5.062 1.00 0.00 N ATOM 518 CA ASN A 185 -5.272 4.774 5.891 1.00 0.00 C ATOM 519 C ASN A 185 -3.835 5.279 5.791 1.00 0.00 C ATOM 520 O ASN A 185 -2.952 4.578 5.296 1.00 0.00 O ATOM 521 CB ASN A 185 -5.605 4.472 7.356 1.00 0.00 C ATOM 522 CG ASN A 185 -6.832 3.592 7.510 1.00 0.00 C ATOM 523 OD1 ASN A 185 -7.954 4.015 7.231 1.00 0.00 O ATOM 524 ND2 ASN A 185 -6.622 2.361 7.961 1.00 0.00 N ATOM 0 H ASN A 185 -4.609 3.049 4.902 1.00 0.00 H new ATOM 0 HA ASN A 185 -5.949 5.546 5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 185 -4.751 3.983 7.825 1.00 0.00 H new ATOM 0 HB3 ASN A 185 -5.767 5.410 7.888 1.00 0.00 H new ATOM 0 HD21 ASN A 185 -7.408 1.724 8.089 1.00 0.00 H new ATOM 0 HD22 ASN A 185 -5.675 2.053 8.180 1.00 0.00 H new ATOM 531 N LYS A 186 -3.608 6.497 6.267 1.00 0.00 N ATOM 532 CA LYS A 186 -2.281 7.098 6.239 1.00 0.00 C ATOM 533 C LYS A 186 -1.901 7.627 7.620 1.00 0.00 C ATOM 534 O LYS A 186 -1.461 8.768 7.762 1.00 0.00 O ATOM 535 CB LYS A 186 -2.233 8.232 5.212 1.00 0.00 C ATOM 536 CG LYS A 186 -2.115 7.746 3.777 1.00 0.00 C ATOM 537 CD LYS A 186 -1.988 8.908 2.805 1.00 0.00 C ATOM 538 CE LYS A 186 -3.307 9.642 2.639 1.00 0.00 C ATOM 539 NZ LYS A 186 -3.290 10.557 1.466 1.00 0.00 N ATOM 0 H LYS A 186 -4.329 7.090 6.679 1.00 0.00 H new ATOM 0 HA LYS A 186 -1.563 6.330 5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -3.134 8.838 5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -1.387 8.881 5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -1.246 7.094 3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -2.990 7.149 3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -1.227 9.602 3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -1.652 8.538 1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -4.113 8.918 2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -3.520 10.214 3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -4.208 11.039 1.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -2.537 11.264 1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -3.112 10.009 0.600 1.00 0.00 H new ATOM 553 N ASP A 187 -2.083 6.790 8.636 1.00 0.00 N ATOM 554 CA ASP A 187 -1.767 7.169 10.009 1.00 0.00 C ATOM 555 C ASP A 187 -0.294 7.534 10.160 1.00 0.00 C ATOM 556 O ASP A 187 0.071 8.322 11.033 1.00 0.00 O ATOM 557 CB ASP A 187 -2.120 6.026 10.965 1.00 0.00 C ATOM 558 CG ASP A 187 -3.616 5.865 11.148 1.00 0.00 C ATOM 559 OD1 ASP A 187 -4.246 5.185 10.312 1.00 0.00 O ATOM 560 OD2 ASP A 187 -4.157 6.419 12.127 1.00 0.00 O ATOM 0 H ASP A 187 -2.448 5.843 8.534 1.00 0.00 H new ATOM 0 HA ASP A 187 -2.362 8.048 10.259 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.701 5.095 10.583 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -1.656 6.210 11.934 1.00 0.00 H new ATOM 565 N ASP A 188 0.550 6.960 9.308 1.00 0.00 N ATOM 566 CA ASP A 188 1.982 7.231 9.357 1.00 0.00 C ATOM 567 C ASP A 188 2.466 7.849 8.045 1.00 0.00 C ATOM 568 O ASP A 188 2.412 7.211 6.997 1.00 0.00 O ATOM 569 CB ASP A 188 2.755 5.943 9.640 1.00 0.00 C ATOM 570 CG ASP A 188 4.058 6.198 10.374 1.00 0.00 C ATOM 571 OD1 ASP A 188 4.007 6.494 11.587 1.00 0.00 O ATOM 572 OD2 ASP A 188 5.127 6.104 9.736 1.00 0.00 O ATOM 0 H ASP A 188 0.268 6.306 8.578 1.00 0.00 H new ATOM 0 HA ASP A 188 2.164 7.943 10.162 1.00 0.00 H new ATOM 0 HB2 ASP A 188 2.133 5.272 10.233 1.00 0.00 H new ATOM 0 HB3 ASP A 188 2.965 5.435 8.699 1.00 0.00 H new ATOM 577 N PRO A 189 2.948 9.107 8.084 1.00 0.00 N ATOM 578 CA PRO A 189 3.437 9.803 6.888 1.00 0.00 C ATOM 579 C PRO A 189 4.325 8.923 6.011 1.00 0.00 C ATOM 580 O PRO A 189 4.402 9.120 4.799 1.00 0.00 O ATOM 581 CB PRO A 189 4.240 10.962 7.472 1.00 0.00 C ATOM 582 CG PRO A 189 3.570 11.265 8.767 1.00 0.00 C ATOM 583 CD PRO A 189 3.055 9.949 9.292 1.00 0.00 C ATOM 0 HA PRO A 189 2.622 10.109 6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 189 5.284 10.686 7.620 1.00 0.00 H new ATOM 0 HB3 PRO A 189 4.230 11.826 6.808 1.00 0.00 H new ATOM 0 HG2 PRO A 189 4.269 11.718 9.470 1.00 0.00 H new ATOM 0 HG3 PRO A 189 2.754 11.974 8.627 1.00 0.00 H new ATOM 0 HD2 PRO A 189 3.737 9.515 10.023 1.00 0.00 H new ATOM 0 HD3 PRO A 189 2.090 10.065 9.786 1.00 0.00 H new ATOM 591 N ASN A 190 4.998 7.958 6.630 1.00 0.00 N ATOM 592 CA ASN A 190 5.882 7.057 5.897 1.00 0.00 C ATOM 593 C ASN A 190 5.222 5.705 5.665 1.00 0.00 C ATOM 594 O ASN A 190 5.294 5.145 4.571 1.00 0.00 O ATOM 595 CB ASN A 190 7.193 6.861 6.658 1.00 0.00 C ATOM 596 CG ASN A 190 8.193 7.958 6.370 1.00 0.00 C ATOM 597 OD1 ASN A 190 8.485 8.792 7.229 1.00 0.00 O ATOM 598 ND2 ASN A 190 8.722 7.964 5.155 1.00 0.00 N ATOM 0 H ASN A 190 4.949 7.780 7.633 1.00 0.00 H new ATOM 0 HA ASN A 190 6.089 7.513 4.929 1.00 0.00 H new ATOM 0 HB2 ASN A 190 6.988 6.831 7.728 1.00 0.00 H new ATOM 0 HB3 ASN A 190 7.626 5.898 6.389 1.00 0.00 H new ATOM 0 HD21 ASN A 190 9.402 8.680 4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 190 8.450 7.253 4.477 1.00 0.00 H new ATOM 605 N TRP A 191 4.590 5.180 6.705 1.00 0.00 N ATOM 606 CA TRP A 191 3.926 3.886 6.622 1.00 0.00 C ATOM 607 C TRP A 191 2.442 4.046 6.319 1.00 0.00 C ATOM 608 O TRP A 191 1.678 4.546 7.144 1.00 0.00 O ATOM 609 CB TRP A 191 4.120 3.112 7.926 1.00 0.00 C ATOM 610 CG TRP A 191 5.433 2.395 7.993 1.00 0.00 C ATOM 611 CD1 TRP A 191 6.664 2.958 8.172 1.00 0.00 C ATOM 612 CD2 TRP A 191 5.648 0.984 7.879 1.00 0.00 C ATOM 613 NE1 TRP A 191 7.632 1.983 8.175 1.00 0.00 N ATOM 614 CE2 TRP A 191 7.034 0.763 7.999 1.00 0.00 C ATOM 615 CE3 TRP A 191 4.804 -0.115 7.691 1.00 0.00 C ATOM 616 CZ2 TRP A 191 7.592 -0.511 7.934 1.00 0.00 C ATOM 617 CZ3 TRP A 191 5.361 -1.378 7.625 1.00 0.00 C ATOM 618 CH2 TRP A 191 6.743 -1.567 7.747 1.00 0.00 C ATOM 0 H TRP A 191 4.523 5.631 7.618 1.00 0.00 H new ATOM 0 HA TRP A 191 4.377 3.325 5.803 1.00 0.00 H new ATOM 0 HB2 TRP A 191 4.047 3.803 8.766 1.00 0.00 H new ATOM 0 HB3 TRP A 191 3.312 2.389 8.036 1.00 0.00 H new ATOM 0 HD1 TRP A 191 6.850 4.015 8.293 1.00 0.00 H new ATOM 0 HE1 TRP A 191 8.633 2.142 8.290 1.00 0.00 H new ATOM 0 HE3 TRP A 191 3.737 0.021 7.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 191 8.658 -0.660 8.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 191 4.719 -2.234 7.477 1.00 0.00 H new ATOM 0 HH2 TRP A 191 7.147 -2.567 7.692 1.00 0.00 H new ATOM 629 N TRP A 192 2.042 3.619 5.127 1.00 0.00 N ATOM 630 CA TRP A 192 0.649 3.712 4.707 1.00 0.00 C ATOM 631 C TRP A 192 -0.003 2.338 4.677 1.00 0.00 C ATOM 632 O TRP A 192 0.624 1.349 4.296 1.00 0.00 O ATOM 633 CB TRP A 192 0.556 4.362 3.324 1.00 0.00 C ATOM 634 CG TRP A 192 0.869 5.827 3.326 1.00 0.00 C ATOM 635 CD1 TRP A 192 1.311 6.567 4.382 1.00 0.00 C ATOM 636 CD2 TRP A 192 0.763 6.726 2.217 1.00 0.00 C ATOM 637 NE1 TRP A 192 1.494 7.874 3.996 1.00 0.00 N ATOM 638 CE2 TRP A 192 1.161 7.996 2.672 1.00 0.00 C ATOM 639 CE3 TRP A 192 0.372 6.579 0.883 1.00 0.00 C ATOM 640 CZ2 TRP A 192 1.180 9.112 1.841 1.00 0.00 C ATOM 641 CZ3 TRP A 192 0.390 7.689 0.059 1.00 0.00 C ATOM 642 CH2 TRP A 192 0.793 8.941 0.540 1.00 0.00 C ATOM 0 H TRP A 192 2.664 3.204 4.433 1.00 0.00 H new ATOM 0 HA TRP A 192 0.118 4.330 5.431 1.00 0.00 H new ATOM 0 HB2 TRP A 192 1.242 3.854 2.646 1.00 0.00 H new ATOM 0 HB3 TRP A 192 -0.449 4.215 2.930 1.00 0.00 H new ATOM 0 HD1 TRP A 192 1.491 6.183 5.375 1.00 0.00 H new ATOM 0 HE1 TRP A 192 1.824 8.629 4.597 1.00 0.00 H new ATOM 0 HE3 TRP A 192 0.062 5.617 0.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 1.489 10.079 2.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 0.088 7.589 -0.973 1.00 0.00 H new ATOM 0 HH2 TRP A 192 0.798 9.788 -0.129 1.00 0.00 H new ATOM 653 N GLU A 193 -1.269 2.283 5.072 1.00 0.00 N ATOM 654 CA GLU A 193 -2.013 1.029 5.082 1.00 0.00 C ATOM 655 C GLU A 193 -2.726 0.833 3.750 1.00 0.00 C ATOM 656 O GLU A 193 -3.188 1.796 3.139 1.00 0.00 O ATOM 657 CB GLU A 193 -3.021 1.018 6.233 1.00 0.00 C ATOM 658 CG GLU A 193 -3.503 -0.373 6.610 1.00 0.00 C ATOM 659 CD GLU A 193 -3.253 -0.704 8.069 1.00 0.00 C ATOM 660 OE1 GLU A 193 -3.322 0.221 8.906 1.00 0.00 O ATOM 661 OE2 GLU A 193 -2.991 -1.885 8.374 1.00 0.00 O ATOM 0 H GLU A 193 -1.802 3.092 5.390 1.00 0.00 H new ATOM 0 HA GLU A 193 -1.313 0.207 5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.566 1.484 7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.881 1.628 5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -4.570 -0.452 6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -3.000 -1.110 5.983 1.00 0.00 H new ATOM 668 N GLY A 194 -2.806 -0.413 3.294 1.00 0.00 N ATOM 669 CA GLY A 194 -3.460 -0.689 2.029 1.00 0.00 C ATOM 670 C GLY A 194 -4.106 -2.058 1.984 1.00 0.00 C ATOM 671 O GLY A 194 -3.736 -2.955 2.742 1.00 0.00 O ATOM 0 H GLY A 194 -2.432 -1.231 3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 194 -4.219 0.071 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 194 -2.729 -0.611 1.224 1.00 0.00 H new ATOM 675 N GLN A 195 -5.077 -2.217 1.090 1.00 0.00 N ATOM 676 CA GLN A 195 -5.782 -3.483 0.942 1.00 0.00 C ATOM 677 C GLN A 195 -5.621 -4.044 -0.467 1.00 0.00 C ATOM 678 O GLN A 195 -6.301 -3.610 -1.398 1.00 0.00 O ATOM 679 CB GLN A 195 -7.261 -3.303 1.256 1.00 0.00 C ATOM 680 CG GLN A 195 -7.968 -4.599 1.617 1.00 0.00 C ATOM 681 CD GLN A 195 -9.347 -4.369 2.204 1.00 0.00 C ATOM 682 OE1 GLN A 195 -9.665 -3.270 2.658 1.00 0.00 O ATOM 683 NE2 GLN A 195 -10.174 -5.408 2.198 1.00 0.00 N ATOM 0 H GLN A 195 -5.393 -1.483 0.457 1.00 0.00 H new ATOM 0 HA GLN A 195 -5.346 -4.191 1.646 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -7.366 -2.599 2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -7.756 -2.857 0.393 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -8.056 -5.221 0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -7.360 -5.152 2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -9.868 -6.301 1.811 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -11.115 -5.313 2.580 1.00 0.00 H new ATOM 763 N ARG A 200 -5.327 -6.815 4.107 1.00 0.00 N ATOM 764 CA ARG A 200 -4.934 -5.487 4.563 1.00 0.00 C ATOM 765 C ARG A 200 -3.550 -5.529 5.202 1.00 0.00 C ATOM 766 O ARG A 200 -3.061 -6.598 5.569 1.00 0.00 O ATOM 767 CB ARG A 200 -5.956 -4.956 5.570 1.00 0.00 C ATOM 768 CG ARG A 200 -7.140 -4.252 4.925 1.00 0.00 C ATOM 769 CD ARG A 200 -8.395 -5.110 4.978 1.00 0.00 C ATOM 770 NE ARG A 200 -9.609 -4.298 5.040 1.00 0.00 N ATOM 771 CZ ARG A 200 -10.791 -4.764 5.439 1.00 0.00 C ATOM 772 NH1 ARG A 200 -10.922 -6.031 5.810 1.00 0.00 N ATOM 773 NH2 ARG A 200 -11.845 -3.958 5.467 1.00 0.00 N ATOM 0 HA ARG A 200 -4.900 -4.820 3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 200 -6.323 -5.786 6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 200 -5.458 -4.263 6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 200 -7.323 -3.306 5.434 1.00 0.00 H new ATOM 0 HG3 ARG A 200 -6.903 -4.016 3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 200 -8.433 -5.753 4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 200 -8.351 -5.764 5.849 1.00 0.00 H new ATOM 0 HE ARG A 200 -9.547 -3.319 4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 200 -10.115 -6.654 5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 200 -11.830 -6.382 6.115 1.00 0.00 H new ATOM 0 HH21 ARG A 200 -11.749 -2.983 5.183 1.00 0.00 H new ATOM 0 HH22 ARG A 200 -12.751 -4.314 5.772 1.00 0.00 H new ATOM 787 N GLY A 201 -2.918 -4.366 5.334 1.00 0.00 N ATOM 788 CA GLY A 201 -1.597 -4.313 5.931 1.00 0.00 C ATOM 789 C GLY A 201 -0.937 -2.957 5.785 1.00 0.00 C ATOM 790 O GLY A 201 -1.329 -2.156 4.936 1.00 0.00 O ATOM 0 H GLY A 201 -3.295 -3.465 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 201 -1.672 -4.563 6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 201 -0.964 -5.071 5.469 1.00 0.00 H new ATOM 794 N ILE A 202 0.076 -2.700 6.608 1.00 0.00 N ATOM 795 CA ILE A 202 0.798 -1.437 6.560 1.00 0.00 C ATOM 796 C ILE A 202 2.151 -1.612 5.882 1.00 0.00 C ATOM 797 O ILE A 202 2.729 -2.697 5.904 1.00 0.00 O ATOM 798 CB ILE A 202 1.015 -0.846 7.966 1.00 0.00 C ATOM 799 CG1 ILE A 202 1.706 -1.867 8.874 1.00 0.00 C ATOM 800 CG2 ILE A 202 -0.311 -0.404 8.568 1.00 0.00 C ATOM 801 CD1 ILE A 202 2.837 -1.279 9.689 1.00 0.00 C ATOM 0 H ILE A 202 0.414 -3.352 7.316 1.00 0.00 H new ATOM 0 HA ILE A 202 0.183 -0.746 5.983 1.00 0.00 H new ATOM 0 HB ILE A 202 1.660 0.028 7.879 1.00 0.00 H new ATOM 0 HG12 ILE A 202 0.968 -2.299 9.550 1.00 0.00 H new ATOM 0 HG13 ILE A 202 2.094 -2.682 8.263 1.00 0.00 H new ATOM 0 HG21 ILE A 202 -0.139 0.011 9.561 1.00 0.00 H new ATOM 0 HG22 ILE A 202 -0.765 0.355 7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 202 -0.980 -1.261 8.644 1.00 0.00 H new ATOM 0 HD11 ILE A 202 3.281 -2.057 10.309 1.00 0.00 H new ATOM 0 HD12 ILE A 202 3.595 -0.872 9.019 1.00 0.00 H new ATOM 0 HD13 ILE A 202 2.451 -0.484 10.326 1.00 0.00 H new ATOM 813 N PHE A 203 2.652 -0.539 5.280 1.00 0.00 N ATOM 814 CA PHE A 203 3.936 -0.584 4.596 1.00 0.00 C ATOM 815 C PHE A 203 4.423 0.823 4.257 1.00 0.00 C ATOM 816 O PHE A 203 3.619 1.745 4.110 1.00 0.00 O ATOM 817 CB PHE A 203 3.824 -1.417 3.317 1.00 0.00 C ATOM 818 CG PHE A 203 2.984 -0.769 2.252 1.00 0.00 C ATOM 819 CD1 PHE A 203 3.495 0.259 1.473 1.00 0.00 C ATOM 820 CD2 PHE A 203 1.683 -1.188 2.030 1.00 0.00 C ATOM 821 CE1 PHE A 203 2.720 0.857 0.495 1.00 0.00 C ATOM 822 CE2 PHE A 203 0.904 -0.596 1.054 1.00 0.00 C ATOM 823 CZ PHE A 203 1.425 0.427 0.286 1.00 0.00 C ATOM 0 H PHE A 203 2.189 0.369 5.252 1.00 0.00 H new ATOM 0 HA PHE A 203 4.660 -1.048 5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 203 4.824 -1.597 2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 203 3.399 -2.390 3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 203 4.509 0.596 1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 203 1.272 -1.988 2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 203 3.127 1.658 -0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 203 -0.109 -0.932 0.892 1.00 0.00 H new ATOM 0 HZ PHE A 203 0.819 0.891 -0.478 1.00 0.00 H new ATOM 833 N PRO A 204 5.746 1.005 4.111 1.00 0.00 N ATOM 834 CA PRO A 204 6.324 2.307 3.773 1.00 0.00 C ATOM 835 C PRO A 204 5.855 2.783 2.405 1.00 0.00 C ATOM 836 O PRO A 204 6.267 2.249 1.375 1.00 0.00 O ATOM 837 CB PRO A 204 7.837 2.044 3.760 1.00 0.00 C ATOM 838 CG PRO A 204 8.021 0.762 4.499 1.00 0.00 C ATOM 839 CD PRO A 204 6.775 -0.037 4.253 1.00 0.00 C ATOM 0 HA PRO A 204 6.030 3.086 4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 204 8.214 1.967 2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 204 8.381 2.857 4.241 1.00 0.00 H new ATOM 0 HG2 PRO A 204 8.903 0.229 4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 204 8.165 0.942 5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 204 6.857 -0.650 3.355 1.00 0.00 H new ATOM 0 HD3 PRO A 204 6.557 -0.712 5.081 1.00 0.00 H new ATOM 847 N SER A 205 4.986 3.791 2.395 1.00 0.00 N ATOM 848 CA SER A 205 4.459 4.329 1.147 1.00 0.00 C ATOM 849 C SER A 205 5.588 4.709 0.196 1.00 0.00 C ATOM 850 O SER A 205 5.405 4.735 -1.020 1.00 0.00 O ATOM 851 CB SER A 205 3.572 5.540 1.425 1.00 0.00 C ATOM 852 OG SER A 205 4.079 6.311 2.501 1.00 0.00 O ATOM 0 H SER A 205 4.634 4.249 3.235 1.00 0.00 H new ATOM 0 HA SER A 205 3.859 3.554 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 205 3.506 6.159 0.530 1.00 0.00 H new ATOM 0 HB3 SER A 205 2.560 5.207 1.658 1.00 0.00 H new ATOM 0 HG SER A 205 3.339 6.595 3.077 1.00 0.00 H new ATOM 858 N ASN A 206 6.761 4.987 0.754 1.00 0.00 N ATOM 859 CA ASN A 206 7.919 5.345 -0.055 1.00 0.00 C ATOM 860 C ASN A 206 8.292 4.202 -0.997 1.00 0.00 C ATOM 861 O ASN A 206 9.038 4.396 -1.955 1.00 0.00 O ATOM 862 CB ASN A 206 9.103 5.698 0.844 1.00 0.00 C ATOM 863 CG ASN A 206 9.563 7.124 0.669 1.00 0.00 C ATOM 864 OD1 ASN A 206 9.005 7.882 -0.123 1.00 0.00 O ATOM 865 ND2 ASN A 206 10.591 7.497 1.415 1.00 0.00 N ATOM 0 H ASN A 206 6.934 4.971 1.759 1.00 0.00 H new ATOM 0 HA ASN A 206 7.663 6.217 -0.657 1.00 0.00 H new ATOM 0 HB2 ASN A 206 8.824 5.536 1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 206 9.932 5.024 0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 206 10.952 8.448 1.347 1.00 0.00 H new ATOM 0 HD22 ASN A 206 11.022 6.833 2.058 1.00 0.00 H new ATOM 872 N TYR A 207 7.770 3.006 -0.716 1.00 0.00 N ATOM 873 CA TYR A 207 8.049 1.837 -1.538 1.00 0.00 C ATOM 874 C TYR A 207 6.973 1.641 -2.603 1.00 0.00 C ATOM 875 O TYR A 207 6.796 0.538 -3.117 1.00 0.00 O ATOM 876 CB TYR A 207 8.132 0.592 -0.657 1.00 0.00 C ATOM 877 CG TYR A 207 9.541 0.086 -0.450 1.00 0.00 C ATOM 878 CD1 TYR A 207 10.366 -0.193 -1.533 1.00 0.00 C ATOM 879 CD2 TYR A 207 10.049 -0.113 0.828 1.00 0.00 C ATOM 880 CE1 TYR A 207 11.655 -0.657 -1.349 1.00 0.00 C ATOM 881 CE2 TYR A 207 11.336 -0.575 1.022 1.00 0.00 C ATOM 882 CZ TYR A 207 12.135 -0.845 -0.070 1.00 0.00 C ATOM 883 OH TYR A 207 13.418 -1.305 0.117 1.00 0.00 O ATOM 0 H TYR A 207 7.152 2.826 0.076 1.00 0.00 H new ATOM 0 HA TYR A 207 9.003 1.996 -2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 207 7.689 0.815 0.314 1.00 0.00 H new ATOM 0 HB3 TYR A 207 7.533 -0.200 -1.106 1.00 0.00 H new ATOM 0 HD1 TYR A 207 9.994 -0.045 -2.536 1.00 0.00 H new ATOM 0 HD2 TYR A 207 9.426 0.097 1.685 1.00 0.00 H new ATOM 0 HE1 TYR A 207 12.282 -0.871 -2.202 1.00 0.00 H new ATOM 0 HE2 TYR A 207 11.715 -0.724 2.022 1.00 0.00 H new ATOM 0 HH TYR A 207 13.601 -1.382 1.077 1.00 0.00 H new ATOM 893 N VAL A 208 6.251 2.708 -2.927 1.00 0.00 N ATOM 894 CA VAL A 208 5.196 2.632 -3.924 1.00 0.00 C ATOM 895 C VAL A 208 5.044 3.953 -4.677 1.00 0.00 C ATOM 896 O VAL A 208 5.897 4.835 -4.580 1.00 0.00 O ATOM 897 CB VAL A 208 3.846 2.242 -3.274 1.00 0.00 C ATOM 898 CG1 VAL A 208 4.028 1.048 -2.349 1.00 0.00 C ATOM 899 CG2 VAL A 208 3.248 3.411 -2.509 1.00 0.00 C ATOM 0 H VAL A 208 6.378 3.632 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 208 5.482 1.859 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 208 3.156 1.969 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 208 3.070 0.786 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 208 4.405 0.200 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 208 4.740 1.302 -1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 208 2.301 3.108 -2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 208 3.936 3.721 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 208 3.078 4.244 -3.192 1.00 0.00 H new ATOM 909 N ALA A 209 3.952 4.080 -5.425 1.00 0.00 N ATOM 910 CA ALA A 209 3.688 5.293 -6.194 1.00 0.00 C ATOM 911 C ALA A 209 2.197 5.432 -6.499 1.00 0.00 C ATOM 912 O ALA A 209 1.639 4.648 -7.268 1.00 0.00 O ATOM 913 CB ALA A 209 4.493 5.280 -7.485 1.00 0.00 C ATOM 0 H ALA A 209 3.236 3.359 -5.515 1.00 0.00 H new ATOM 0 HA ALA A 209 3.993 6.152 -5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 209 4.288 6.189 -8.051 1.00 0.00 H new ATOM 0 HB2 ALA A 209 5.556 5.230 -7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 209 4.212 4.411 -8.080 1.00 0.00 H new ATOM 919 N PRO A 210 1.527 6.434 -5.902 1.00 0.00 N ATOM 920 CA PRO A 210 0.095 6.665 -6.119 1.00 0.00 C ATOM 921 C PRO A 210 -0.278 6.660 -7.598 1.00 0.00 C ATOM 922 O PRO A 210 0.250 7.446 -8.385 1.00 0.00 O ATOM 923 CB PRO A 210 -0.135 8.048 -5.512 1.00 0.00 C ATOM 924 CG PRO A 210 0.906 8.169 -4.456 1.00 0.00 C ATOM 925 CD PRO A 210 2.107 7.419 -4.967 1.00 0.00 C ATOM 0 HA PRO A 210 -0.517 5.881 -5.672 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -0.033 8.833 -6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -1.137 8.136 -5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 210 1.150 9.214 -4.267 1.00 0.00 H new ATOM 0 HG3 PRO A 210 0.556 7.748 -3.513 1.00 0.00 H new ATOM 0 HD2 PRO A 210 2.811 8.083 -5.469 1.00 0.00 H new ATOM 0 HD3 PRO A 210 2.650 6.932 -4.157 1.00 0.00 H new ATOM 933 N TYR A 211 -1.192 5.768 -7.969 1.00 0.00 N ATOM 934 CA TYR A 211 -1.635 5.658 -9.353 1.00 0.00 C ATOM 935 C TYR A 211 -2.923 6.445 -9.576 1.00 0.00 C ATOM 936 O TYR A 211 -2.928 7.464 -10.267 1.00 0.00 O ATOM 937 CB TYR A 211 -1.851 4.190 -9.725 1.00 0.00 C ATOM 938 CG TYR A 211 -2.286 3.983 -11.159 1.00 0.00 C ATOM 939 CD1 TYR A 211 -1.640 4.635 -12.202 1.00 0.00 C ATOM 940 CD2 TYR A 211 -3.342 3.136 -11.469 1.00 0.00 C ATOM 941 CE1 TYR A 211 -2.033 4.448 -13.513 1.00 0.00 C ATOM 942 CE2 TYR A 211 -3.741 2.943 -12.776 1.00 0.00 C ATOM 943 CZ TYR A 211 -3.086 3.602 -13.795 1.00 0.00 C ATOM 944 OH TYR A 211 -3.480 3.413 -15.100 1.00 0.00 O ATOM 0 H TYR A 211 -1.640 5.111 -7.330 1.00 0.00 H new ATOM 0 HA TYR A 211 -0.858 6.078 -9.992 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -0.925 3.641 -9.553 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -2.603 3.763 -9.061 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -0.817 5.299 -11.984 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -3.860 2.620 -10.674 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -1.519 4.961 -14.313 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -4.563 2.279 -13.000 1.00 0.00 H new ATOM 0 HH TYR A 211 -4.234 2.787 -15.127 1.00 0.00 H new