USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 465 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 27 TYR OH : rot 159:sc= 0.322 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.218 K(o=0.54,f=-0.99) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0217 X(o=-0.022,f=-0.35) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.83) USER MOD Single : A 29 ASN : amide:sc= -0.169 K(o=-0.17,f=-0.86) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.269 K(o=0.27,f=-0.25) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 162:sc= -0.195 (180deg=-0.372) USER MOD Single : A 47 MET CE :methyl -127:sc= -4.37! (180deg=-6.9!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 68 GLN : amide:sc=-0.00318 X(o=-0.0032,f=-0.12) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLN A 13 -0.491 3.851 -25.742 1.00 0.00 N ATOM 146 CA GLN A 13 -1.669 3.974 -26.592 1.00 0.00 C ATOM 147 C GLN A 13 -1.428 4.976 -27.716 1.00 0.00 C ATOM 148 O GLN A 13 -0.473 5.753 -27.676 1.00 0.00 O ATOM 149 CB GLN A 13 -2.880 4.402 -25.762 1.00 0.00 C ATOM 150 CG GLN A 13 -2.818 5.847 -25.295 1.00 0.00 C ATOM 151 CD GLN A 13 -3.357 6.030 -23.890 1.00 0.00 C ATOM 152 OE1 GLN A 13 -2.631 5.869 -22.909 1.00 0.00 O ATOM 153 NE2 GLN A 13 -4.637 6.369 -23.786 1.00 0.00 N ATOM 0 HA GLN A 13 -1.868 2.999 -27.037 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.784 4.259 -26.353 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.962 3.751 -24.892 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.785 6.193 -25.332 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.388 6.472 -25.983 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.202 6.492 -24.626 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.055 6.506 -22.866 1.00 0.00 H new ATOM 162 N THR A 14 -2.299 4.954 -28.719 1.00 0.00 N ATOM 163 CA THR A 14 -2.181 5.859 -29.855 1.00 0.00 C ATOM 164 C THR A 14 -3.355 6.830 -29.910 1.00 0.00 C ATOM 165 O THR A 14 -4.402 6.588 -29.308 1.00 0.00 O ATOM 166 CB THR A 14 -2.106 5.086 -31.185 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.386 4.525 -31.497 1.00 0.00 O ATOM 168 CG2 THR A 14 -1.066 3.978 -31.109 1.00 0.00 C ATOM 0 H THR A 14 -3.095 4.318 -28.768 1.00 0.00 H new ATOM 0 HA THR A 14 -1.256 6.419 -29.717 1.00 0.00 H new ATOM 0 HB THR A 14 -1.814 5.783 -31.970 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.331 4.036 -32.345 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.031 3.446 -32.060 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.088 4.411 -30.899 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.333 3.282 -30.314 1.00 0.00 H new ATOM 176 N VAL A 15 -3.175 7.929 -30.635 1.00 0.00 N ATOM 177 CA VAL A 15 -4.221 8.936 -30.770 1.00 0.00 C ATOM 178 C VAL A 15 -5.532 8.308 -31.229 1.00 0.00 C ATOM 179 O VAL A 15 -6.605 8.657 -30.739 1.00 0.00 O ATOM 180 CB VAL A 15 -3.815 10.037 -31.767 1.00 0.00 C ATOM 181 CG1 VAL A 15 -4.909 11.089 -31.876 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.495 10.669 -31.353 1.00 0.00 C ATOM 0 H VAL A 15 -2.314 8.145 -31.138 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.360 9.382 -29.785 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.682 9.583 -32.749 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.604 11.859 -32.585 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.831 10.621 -32.222 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.077 11.542 -30.899 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.223 11.445 -32.068 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.598 11.110 -30.361 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.717 9.906 -31.332 1.00 0.00 H new ATOM 192 N GLY A 16 -5.438 7.377 -32.174 1.00 0.00 N ATOM 193 CA GLY A 16 -6.624 6.714 -32.684 1.00 0.00 C ATOM 194 C GLY A 16 -7.434 6.052 -31.588 1.00 0.00 C ATOM 195 O GLY A 16 -8.561 6.460 -31.308 1.00 0.00 O ATOM 0 H GLY A 16 -4.561 7.070 -32.595 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.248 7.441 -33.204 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.330 5.964 -33.418 1.00 0.00 H new ATOM 199 N GLN A 17 -6.861 5.026 -30.967 1.00 0.00 N ATOM 200 CA GLN A 17 -7.539 4.305 -29.897 1.00 0.00 C ATOM 201 C GLN A 17 -7.876 5.238 -28.739 1.00 0.00 C ATOM 202 O GLN A 17 -8.862 5.034 -28.031 1.00 0.00 O ATOM 203 CB GLN A 17 -6.668 3.150 -29.399 1.00 0.00 C ATOM 204 CG GLN A 17 -6.636 1.960 -30.346 1.00 0.00 C ATOM 205 CD GLN A 17 -6.169 0.688 -29.668 1.00 0.00 C ATOM 206 OE1 GLN A 17 -6.627 0.347 -28.576 1.00 0.00 O ATOM 207 NE2 GLN A 17 -5.252 -0.024 -30.312 1.00 0.00 N ATOM 0 H GLN A 17 -5.929 4.676 -31.187 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.469 3.903 -30.298 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.651 3.512 -29.249 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.036 2.821 -28.427 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.632 1.802 -30.759 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.975 2.185 -31.183 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.900 0.295 -31.215 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.900 -0.890 -29.904 1.00 0.00 H new ATOM 216 N TRP A 18 -7.051 6.263 -28.553 1.00 0.00 N ATOM 217 CA TRP A 18 -7.262 7.228 -27.480 1.00 0.00 C ATOM 218 C TRP A 18 -8.587 7.961 -27.660 1.00 0.00 C ATOM 219 O TRP A 18 -9.380 8.068 -26.724 1.00 0.00 O ATOM 220 CB TRP A 18 -6.110 8.234 -27.438 1.00 0.00 C ATOM 221 CG TRP A 18 -6.299 9.311 -26.413 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.401 9.146 -25.061 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.411 10.717 -26.657 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.569 10.365 -24.450 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.577 11.345 -25.407 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.383 11.507 -27.810 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.717 12.724 -25.281 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.523 12.876 -27.682 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.687 13.473 -26.425 1.00 0.00 C ATOM 0 H TRP A 18 -6.231 6.447 -29.131 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.295 6.684 -26.536 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.181 7.703 -27.230 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.002 8.693 -28.421 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.356 8.197 -24.548 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.671 10.516 -23.446 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.254 11.056 -28.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.845 13.187 -24.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.506 13.496 -28.566 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.792 14.546 -26.358 1.00 0.00 H new ATOM 240 N LEU A 19 -8.821 8.464 -28.867 1.00 0.00 N ATOM 241 CA LEU A 19 -10.052 9.187 -29.169 1.00 0.00 C ATOM 242 C LEU A 19 -11.267 8.275 -29.032 1.00 0.00 C ATOM 243 O LEU A 19 -12.331 8.707 -28.591 1.00 0.00 O ATOM 244 CB LEU A 19 -9.992 9.766 -30.584 1.00 0.00 C ATOM 245 CG LEU A 19 -9.060 10.963 -30.780 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.514 10.987 -32.199 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.787 12.262 -30.464 1.00 0.00 C ATOM 0 H LEU A 19 -8.175 8.385 -29.652 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.150 10.003 -28.453 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.682 8.974 -31.266 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.999 10.063 -30.877 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.221 10.863 -30.091 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.853 11.845 -32.320 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.957 10.070 -32.390 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.340 11.063 -32.906 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.109 13.103 -30.609 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.645 12.369 -31.127 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.129 12.245 -29.429 1.00 0.00 H new ATOM 259 N GLU A 20 -11.098 7.012 -29.410 1.00 0.00 N ATOM 260 CA GLU A 20 -12.182 6.039 -29.328 1.00 0.00 C ATOM 261 C GLU A 20 -12.665 5.885 -27.889 1.00 0.00 C ATOM 262 O GLU A 20 -13.817 5.524 -27.645 1.00 0.00 O ATOM 263 CB GLU A 20 -11.723 4.684 -29.871 1.00 0.00 C ATOM 264 CG GLU A 20 -11.327 4.719 -31.338 1.00 0.00 C ATOM 265 CD GLU A 20 -12.339 4.030 -32.232 1.00 0.00 C ATOM 266 OE1 GLU A 20 -13.553 4.207 -32.001 1.00 0.00 O ATOM 267 OE2 GLU A 20 -11.916 3.314 -33.164 1.00 0.00 O ATOM 0 H GLU A 20 -10.222 6.638 -29.776 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.011 6.404 -29.935 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.875 4.335 -29.283 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.525 3.958 -29.737 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.214 5.756 -31.655 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.355 4.241 -31.460 1.00 0.00 H new ATOM 274 N SER A 21 -11.777 6.160 -26.939 1.00 0.00 N ATOM 275 CA SER A 21 -12.111 6.048 -25.524 1.00 0.00 C ATOM 276 C SER A 21 -13.067 7.159 -25.102 1.00 0.00 C ATOM 277 O SER A 21 -14.198 6.898 -24.693 1.00 0.00 O ATOM 278 CB SER A 21 -10.841 6.101 -24.673 1.00 0.00 C ATOM 279 OG SER A 21 -11.149 6.019 -23.292 1.00 0.00 O ATOM 0 H SER A 21 -10.820 6.462 -27.124 1.00 0.00 H new ATOM 0 HA SER A 21 -12.605 5.089 -25.367 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.179 5.281 -24.951 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.303 7.027 -24.874 1.00 0.00 H new ATOM 0 HG SER A 21 -10.321 6.053 -22.769 1.00 0.00 H new ATOM 285 N ILE A 22 -12.603 8.400 -25.204 1.00 0.00 N ATOM 286 CA ILE A 22 -13.416 9.552 -24.834 1.00 0.00 C ATOM 287 C ILE A 22 -14.773 9.512 -25.528 1.00 0.00 C ATOM 288 O ILE A 22 -15.768 10.004 -24.997 1.00 0.00 O ATOM 289 CB ILE A 22 -12.711 10.875 -25.186 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.226 10.850 -26.637 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.547 11.124 -24.237 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.657 12.171 -27.107 1.00 0.00 C ATOM 0 H ILE A 22 -11.669 8.633 -25.540 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.560 9.503 -23.755 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.426 11.691 -25.076 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.465 10.077 -26.744 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.057 10.571 -27.285 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.059 12.063 -24.499 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.918 11.181 -23.214 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.830 10.307 -24.318 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.333 12.079 -28.144 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.422 12.944 -27.033 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.805 12.443 -26.484 1.00 0.00 H new ATOM 304 N GLY A 23 -14.806 8.922 -26.719 1.00 0.00 N ATOM 305 CA GLY A 23 -16.047 8.827 -27.465 1.00 0.00 C ATOM 306 C GLY A 23 -16.157 9.886 -28.545 1.00 0.00 C ATOM 307 O GLY A 23 -17.211 10.497 -28.720 1.00 0.00 O ATOM 0 H GLY A 23 -13.996 8.508 -27.180 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.119 7.839 -27.920 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.888 8.924 -26.779 1.00 0.00 H new ATOM 311 N LEU A 24 -15.065 10.105 -29.269 1.00 0.00 N ATOM 312 CA LEU A 24 -15.042 11.099 -30.336 1.00 0.00 C ATOM 313 C LEU A 24 -14.054 10.702 -31.429 1.00 0.00 C ATOM 314 O LEU A 24 -13.018 11.338 -31.624 1.00 0.00 O ATOM 315 CB LEU A 24 -14.672 12.473 -29.773 1.00 0.00 C ATOM 316 CG LEU A 24 -15.692 13.106 -28.826 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.135 14.384 -28.219 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.997 13.385 -29.557 1.00 0.00 C ATOM 0 H LEU A 24 -14.184 9.608 -29.137 1.00 0.00 H new ATOM 0 HA LEU A 24 -16.039 11.149 -30.773 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.722 12.384 -29.245 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.510 13.154 -30.608 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.895 12.403 -28.018 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.875 14.821 -27.548 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.228 14.156 -27.660 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.903 15.093 -29.014 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.711 13.835 -28.868 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.811 14.069 -30.385 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.405 12.451 -29.943 1.00 0.00 H new ATOM 330 N PRO A 25 -14.381 9.627 -32.161 1.00 0.00 N ATOM 331 CA PRO A 25 -13.537 9.123 -33.248 1.00 0.00 C ATOM 332 C PRO A 25 -13.521 10.059 -34.451 1.00 0.00 C ATOM 333 O PRO A 25 -12.588 10.037 -35.254 1.00 0.00 O ATOM 334 CB PRO A 25 -14.191 7.789 -33.616 1.00 0.00 C ATOM 335 CG PRO A 25 -15.614 7.939 -33.201 1.00 0.00 C ATOM 336 CD PRO A 25 -15.600 8.821 -31.983 1.00 0.00 C ATOM 0 HA PRO A 25 -12.494 9.032 -32.945 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.109 7.589 -34.684 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.713 6.957 -33.098 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.208 8.385 -33.999 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.059 6.970 -32.976 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.491 9.446 -31.929 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.565 8.236 -31.064 1.00 0.00 H new ATOM 344 N GLN A 26 -14.559 10.880 -34.570 1.00 0.00 N ATOM 345 CA GLN A 26 -14.664 11.824 -35.676 1.00 0.00 C ATOM 346 C GLN A 26 -13.432 12.721 -35.745 1.00 0.00 C ATOM 347 O GLN A 26 -13.080 13.229 -36.810 1.00 0.00 O ATOM 348 CB GLN A 26 -15.924 12.678 -35.529 1.00 0.00 C ATOM 349 CG GLN A 26 -15.956 13.501 -34.250 1.00 0.00 C ATOM 350 CD GLN A 26 -17.333 14.058 -33.949 1.00 0.00 C ATOM 351 OE1 GLN A 26 -18.237 13.994 -34.782 1.00 0.00 O ATOM 352 NE2 GLN A 26 -17.500 14.609 -32.752 1.00 0.00 N ATOM 0 H GLN A 26 -15.339 10.911 -33.914 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.728 11.253 -36.602 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.000 13.349 -36.385 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.799 12.028 -35.555 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.629 12.881 -33.415 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.246 14.324 -34.334 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.723 14.641 -32.092 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.405 15.001 -32.493 1.00 0.00 H new ATOM 361 N TYR A 27 -12.782 12.913 -34.602 1.00 0.00 N ATOM 362 CA TYR A 27 -11.591 13.751 -34.532 1.00 0.00 C ATOM 363 C TYR A 27 -10.325 12.910 -34.659 1.00 0.00 C ATOM 364 O TYR A 27 -9.323 13.174 -33.994 1.00 0.00 O ATOM 365 CB TYR A 27 -11.569 14.532 -33.217 1.00 0.00 C ATOM 366 CG TYR A 27 -12.797 15.388 -33.000 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.313 16.170 -34.025 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.441 15.412 -31.769 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.434 16.954 -33.830 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.564 16.191 -31.566 1.00 0.00 C ATOM 371 CZ TYR A 27 -15.056 16.960 -32.599 1.00 0.00 C ATOM 372 OH TYR A 27 -16.174 17.738 -32.402 1.00 0.00 O ATOM 0 H TYR A 27 -13.060 12.500 -33.712 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.622 14.454 -35.364 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.475 13.830 -32.389 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.684 15.169 -33.197 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.830 16.165 -34.991 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.057 14.812 -30.957 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.821 17.559 -34.637 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.054 16.197 -30.603 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.678 17.398 -31.633 1.00 0.00 H new ATOM 382 N GLU A 28 -10.378 11.897 -35.518 1.00 0.00 N ATOM 383 CA GLU A 28 -9.236 11.017 -35.732 1.00 0.00 C ATOM 384 C GLU A 28 -8.301 11.588 -36.795 1.00 0.00 C ATOM 385 O GLU A 28 -7.082 11.445 -36.707 1.00 0.00 O ATOM 386 CB GLU A 28 -9.709 9.623 -36.149 1.00 0.00 C ATOM 387 CG GLU A 28 -8.578 8.622 -36.316 1.00 0.00 C ATOM 388 CD GLU A 28 -9.057 7.184 -36.246 1.00 0.00 C ATOM 389 OE1 GLU A 28 -9.976 6.904 -35.448 1.00 0.00 O ATOM 390 OE2 GLU A 28 -8.512 6.340 -36.987 1.00 0.00 O ATOM 0 H GLU A 28 -11.199 11.666 -36.077 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.688 10.941 -34.793 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.408 9.247 -35.402 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.257 9.700 -37.088 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.086 8.791 -37.274 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.831 8.791 -35.540 1.00 0.00 H new ATOM 397 N ASN A 29 -8.883 12.234 -37.801 1.00 0.00 N ATOM 398 CA ASN A 29 -8.103 12.826 -38.882 1.00 0.00 C ATOM 399 C ASN A 29 -7.693 14.254 -38.539 1.00 0.00 C ATOM 400 O ASN A 29 -6.683 14.757 -39.031 1.00 0.00 O ATOM 401 CB ASN A 29 -8.906 12.812 -40.184 1.00 0.00 C ATOM 402 CG ASN A 29 -8.227 13.597 -41.290 1.00 0.00 C ATOM 403 OD1 ASN A 29 -7.003 13.578 -41.419 1.00 0.00 O ATOM 404 ND2 ASN A 29 -9.022 14.294 -42.095 1.00 0.00 N ATOM 0 H ASN A 29 -9.891 12.361 -37.890 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.200 12.230 -39.013 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.049 11.781 -40.509 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.896 13.229 -40.001 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.623 14.842 -42.857 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.032 14.281 -41.951 1.00 0.00 H new ATOM 411 N HIS A 30 -8.485 14.904 -37.690 1.00 0.00 N ATOM 412 CA HIS A 30 -8.204 16.275 -37.280 1.00 0.00 C ATOM 413 C HIS A 30 -6.782 16.400 -36.742 1.00 0.00 C ATOM 414 O HIS A 30 -5.922 17.021 -37.369 1.00 0.00 O ATOM 415 CB HIS A 30 -9.206 16.726 -36.216 1.00 0.00 C ATOM 416 CG HIS A 30 -10.381 17.466 -36.777 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.484 16.834 -37.311 1.00 0.00 N ATOM 418 CD2 HIS A 30 -10.623 18.794 -36.883 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.352 17.740 -37.722 1.00 0.00 C ATOM 420 NE2 HIS A 30 -11.854 18.938 -37.474 1.00 0.00 N ATOM 0 H HIS A 30 -9.325 14.503 -37.274 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.300 16.918 -38.155 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.563 15.852 -35.671 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.695 17.364 -35.495 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.969 19.592 -36.562 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.307 17.536 -38.183 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.310 19.825 -37.687 1.00 0.00 H new ATOM 428 N LEU A 31 -6.541 15.809 -35.577 1.00 0.00 N ATOM 429 CA LEU A 31 -5.223 15.855 -34.953 1.00 0.00 C ATOM 430 C LEU A 31 -4.145 15.377 -35.922 1.00 0.00 C ATOM 431 O LEU A 31 -3.123 16.037 -36.102 1.00 0.00 O ATOM 432 CB LEU A 31 -5.205 14.995 -33.688 1.00 0.00 C ATOM 433 CG LEU A 31 -6.049 15.504 -32.519 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.374 14.760 -32.454 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.289 15.358 -31.209 1.00 0.00 C ATOM 0 H LEU A 31 -7.241 15.292 -35.045 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.012 16.890 -34.684 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.548 13.994 -33.949 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.173 14.901 -33.351 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.257 16.562 -32.679 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.961 15.135 -31.616 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.925 14.916 -33.382 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.187 13.695 -32.318 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.905 15.725 -30.388 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.050 14.308 -31.042 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.366 15.936 -31.257 1.00 0.00 H new ATOM 447 N MET A 32 -4.384 14.227 -36.544 1.00 0.00 N ATOM 448 CA MET A 32 -3.435 13.663 -37.497 1.00 0.00 C ATOM 449 C MET A 32 -3.119 14.663 -38.605 1.00 0.00 C ATOM 450 O MET A 32 -2.050 14.613 -39.212 1.00 0.00 O ATOM 451 CB MET A 32 -3.992 12.373 -38.101 1.00 0.00 C ATOM 452 CG MET A 32 -4.005 11.204 -37.130 1.00 0.00 C ATOM 453 SD MET A 32 -2.440 10.310 -37.098 1.00 0.00 S ATOM 454 CE MET A 32 -2.408 9.743 -35.400 1.00 0.00 C ATOM 0 H MET A 32 -5.226 13.668 -36.405 1.00 0.00 H new ATOM 0 HA MET A 32 -2.512 13.436 -36.963 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.008 12.555 -38.452 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.397 12.103 -38.974 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.230 11.571 -36.129 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.806 10.517 -37.405 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.497 9.172 -35.224 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.433 10.602 -34.729 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.275 9.110 -35.211 1.00 0.00 H new ATOM 464 N ALA A 33 -4.057 15.568 -38.864 1.00 0.00 N ATOM 465 CA ALA A 33 -3.877 16.580 -39.899 1.00 0.00 C ATOM 466 C ALA A 33 -3.092 17.774 -39.367 1.00 0.00 C ATOM 467 O ALA A 33 -2.445 18.492 -40.129 1.00 0.00 O ATOM 468 CB ALA A 33 -5.227 17.029 -40.437 1.00 0.00 C ATOM 0 H ALA A 33 -4.949 15.622 -38.372 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.304 16.136 -40.713 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.078 17.784 -41.209 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.752 16.174 -40.863 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.820 17.451 -39.626 1.00 0.00 H new ATOM 474 N ASN A 34 -3.156 17.983 -38.056 1.00 0.00 N ATOM 475 CA ASN A 34 -2.452 19.092 -37.424 1.00 0.00 C ATOM 476 C ASN A 34 -1.103 18.638 -36.873 1.00 0.00 C ATOM 477 O ASN A 34 -0.583 19.218 -35.921 1.00 0.00 O ATOM 478 CB ASN A 34 -3.301 19.686 -36.298 1.00 0.00 C ATOM 479 CG ASN A 34 -4.413 20.575 -36.820 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.241 21.786 -36.959 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.562 19.976 -37.110 1.00 0.00 N ATOM 0 H ASN A 34 -3.688 17.399 -37.411 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.276 19.857 -38.181 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.733 18.878 -35.707 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.661 20.263 -35.630 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.347 20.523 -37.464 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.659 18.969 -36.979 1.00 0.00 H new ATOM 488 N GLY A 35 -0.543 17.597 -37.481 1.00 0.00 N ATOM 489 CA GLY A 35 0.740 17.083 -37.039 1.00 0.00 C ATOM 490 C GLY A 35 0.738 16.702 -35.572 1.00 0.00 C ATOM 491 O GLY A 35 1.636 17.085 -34.822 1.00 0.00 O ATOM 0 H GLY A 35 -0.955 17.101 -38.271 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.004 16.211 -37.637 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.509 17.835 -37.215 1.00 0.00 H new ATOM 495 N PHE A 36 -0.274 15.946 -35.160 1.00 0.00 N ATOM 496 CA PHE A 36 -0.391 15.515 -33.772 1.00 0.00 C ATOM 497 C PHE A 36 -0.384 13.992 -33.672 1.00 0.00 C ATOM 498 O PHE A 36 -1.354 13.384 -33.220 1.00 0.00 O ATOM 499 CB PHE A 36 -1.673 16.071 -33.149 1.00 0.00 C ATOM 500 CG PHE A 36 -1.514 17.453 -32.581 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.758 17.663 -31.440 1.00 0.00 C ATOM 502 CD2 PHE A 36 -2.120 18.540 -33.190 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.608 18.933 -30.915 1.00 0.00 C ATOM 504 CE2 PHE A 36 -1.973 19.812 -32.670 1.00 0.00 C ATOM 505 CZ PHE A 36 -1.218 20.009 -31.530 1.00 0.00 C ATOM 0 H PHE A 36 -1.025 15.619 -35.768 1.00 0.00 H new ATOM 0 HA PHE A 36 0.469 15.902 -33.225 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.458 16.086 -33.905 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.005 15.398 -32.358 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.280 16.825 -30.955 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.713 18.392 -34.080 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.015 19.084 -30.025 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.448 20.652 -33.155 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.105 21.002 -31.121 1.00 0.00 H new ATOM 515 N ASP A 37 0.717 13.383 -34.098 1.00 0.00 N ATOM 516 CA ASP A 37 0.853 11.932 -34.058 1.00 0.00 C ATOM 517 C ASP A 37 1.618 11.492 -32.813 1.00 0.00 C ATOM 518 O ASP A 37 2.252 10.438 -32.803 1.00 0.00 O ATOM 519 CB ASP A 37 1.566 11.429 -35.314 1.00 0.00 C ATOM 520 CG ASP A 37 2.986 11.950 -35.421 1.00 0.00 C ATOM 521 OD1 ASP A 37 3.903 11.282 -34.901 1.00 0.00 O ATOM 522 OD2 ASP A 37 3.179 13.027 -36.025 1.00 0.00 O ATOM 0 H ASP A 37 1.529 13.872 -34.475 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.147 11.500 -34.020 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.581 10.339 -35.308 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.002 11.735 -36.195 1.00 0.00 H new ATOM 527 N ASN A 38 1.555 12.309 -31.767 1.00 0.00 N ATOM 528 CA ASN A 38 2.243 12.005 -30.517 1.00 0.00 C ATOM 529 C ASN A 38 1.266 12.001 -29.345 1.00 0.00 C ATOM 530 O ASN A 38 0.629 13.012 -29.050 1.00 0.00 O ATOM 531 CB ASN A 38 3.357 13.022 -30.264 1.00 0.00 C ATOM 532 CG ASN A 38 4.307 13.144 -31.439 1.00 0.00 C ATOM 533 OD1 ASN A 38 4.599 12.160 -32.120 1.00 0.00 O ATOM 534 ND2 ASN A 38 4.796 14.354 -31.683 1.00 0.00 N ATOM 0 H ASN A 38 1.035 13.186 -31.760 1.00 0.00 H new ATOM 0 HA ASN A 38 2.681 11.011 -30.605 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.915 13.996 -30.055 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.917 12.729 -29.376 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.441 14.496 -32.461 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.527 15.141 -31.093 1.00 0.00 H new ATOM 541 N VAL A 39 1.154 10.856 -28.679 1.00 0.00 N ATOM 542 CA VAL A 39 0.257 10.720 -27.538 1.00 0.00 C ATOM 543 C VAL A 39 0.967 11.070 -26.235 1.00 0.00 C ATOM 544 O VAL A 39 0.348 11.563 -25.293 1.00 0.00 O ATOM 545 CB VAL A 39 -0.307 9.291 -27.434 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.309 9.193 -26.294 1.00 0.00 C ATOM 547 CG2 VAL A 39 -0.943 8.872 -28.751 1.00 0.00 C ATOM 0 H VAL A 39 1.673 10.009 -28.910 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.566 11.417 -27.699 1.00 0.00 H new ATOM 0 HB VAL A 39 0.516 8.609 -27.221 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.696 8.176 -26.237 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.818 9.448 -25.355 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.132 9.885 -26.472 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.336 7.860 -28.659 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.755 9.556 -28.997 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.194 8.900 -29.542 1.00 0.00 H new ATOM 557 N GLN A 40 2.270 10.812 -26.191 1.00 0.00 N ATOM 558 CA GLN A 40 3.065 11.100 -25.003 1.00 0.00 C ATOM 559 C GLN A 40 3.243 12.604 -24.818 1.00 0.00 C ATOM 560 O GLN A 40 3.268 13.103 -23.693 1.00 0.00 O ATOM 561 CB GLN A 40 4.433 10.422 -25.102 1.00 0.00 C ATOM 562 CG GLN A 40 5.302 10.964 -26.224 1.00 0.00 C ATOM 563 CD GLN A 40 6.521 10.103 -26.487 1.00 0.00 C ATOM 564 OE1 GLN A 40 6.703 9.582 -27.587 1.00 0.00 O ATOM 565 NE2 GLN A 40 7.367 9.949 -25.474 1.00 0.00 N ATOM 0 H GLN A 40 2.797 10.405 -26.963 1.00 0.00 H new ATOM 0 HA GLN A 40 2.533 10.706 -24.137 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.959 10.544 -24.155 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.289 9.352 -25.250 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.709 11.035 -27.136 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.623 11.975 -25.973 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.178 10.399 -24.578 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.206 9.381 -25.592 1.00 0.00 H new ATOM 574 N PHE A 41 3.367 13.321 -25.930 1.00 0.00 N ATOM 575 CA PHE A 41 3.544 14.768 -25.891 1.00 0.00 C ATOM 576 C PHE A 41 2.303 15.452 -25.326 1.00 0.00 C ATOM 577 O PHE A 41 2.405 16.409 -24.558 1.00 0.00 O ATOM 578 CB PHE A 41 3.843 15.305 -27.293 1.00 0.00 C ATOM 579 CG PHE A 41 5.279 15.696 -27.492 1.00 0.00 C ATOM 580 CD1 PHE A 41 5.877 16.632 -26.663 1.00 0.00 C ATOM 581 CD2 PHE A 41 6.031 15.128 -28.508 1.00 0.00 C ATOM 582 CE1 PHE A 41 7.199 16.994 -26.843 1.00 0.00 C ATOM 583 CE2 PHE A 41 7.353 15.486 -28.692 1.00 0.00 C ATOM 584 CZ PHE A 41 7.937 16.421 -27.860 1.00 0.00 C ATOM 0 H PHE A 41 3.348 12.924 -26.869 1.00 0.00 H new ATOM 0 HA PHE A 41 4.388 14.988 -25.238 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.576 14.546 -28.028 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.209 16.171 -27.484 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.304 17.084 -25.867 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.579 14.398 -29.163 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.654 17.724 -26.189 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.929 15.035 -29.486 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.969 16.704 -28.005 1.00 0.00 H new ATOM 594 N MET A 42 1.133 14.955 -25.712 1.00 0.00 N ATOM 595 CA MET A 42 -0.128 15.518 -25.243 1.00 0.00 C ATOM 596 C MET A 42 -0.234 15.424 -23.724 1.00 0.00 C ATOM 597 O MET A 42 -0.117 14.342 -23.150 1.00 0.00 O ATOM 598 CB MET A 42 -1.308 14.794 -25.894 1.00 0.00 C ATOM 599 CG MET A 42 -1.544 15.196 -27.341 1.00 0.00 C ATOM 600 SD MET A 42 -3.188 14.745 -27.928 1.00 0.00 S ATOM 601 CE MET A 42 -2.777 13.588 -29.232 1.00 0.00 C ATOM 0 H MET A 42 1.031 14.164 -26.348 1.00 0.00 H new ATOM 0 HA MET A 42 -0.155 16.570 -25.527 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.134 13.719 -25.848 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.211 14.996 -25.317 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.409 16.273 -27.441 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.794 14.721 -27.973 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.653 12.987 -29.475 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.457 14.137 -30.118 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.970 12.935 -28.898 1.00 0.00 H new ATOM 643 N VAL A 46 0.728 21.581 -24.574 1.00 0.00 N ATOM 644 CA VAL A 46 0.275 21.505 -25.957 1.00 0.00 C ATOM 645 C VAL A 46 -1.123 20.903 -26.045 1.00 0.00 C ATOM 646 O VAL A 46 -1.521 20.105 -25.197 1.00 0.00 O ATOM 647 CB VAL A 46 1.238 20.665 -26.818 1.00 0.00 C ATOM 648 CG1 VAL A 46 1.205 19.207 -26.387 1.00 0.00 C ATOM 649 CG2 VAL A 46 0.891 20.802 -28.293 1.00 0.00 C ATOM 0 HA VAL A 46 0.253 22.526 -26.339 1.00 0.00 H new ATOM 0 HB VAL A 46 2.251 21.040 -26.671 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.891 18.629 -27.006 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.506 19.130 -25.342 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.194 18.816 -26.503 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.581 20.202 -28.886 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.128 20.454 -28.461 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.971 21.848 -28.590 1.00 0.00 H new ATOM 659 N MET A 47 -1.865 21.292 -27.077 1.00 0.00 N ATOM 660 CA MET A 47 -3.219 20.789 -27.277 1.00 0.00 C ATOM 661 C MET A 47 -4.129 21.207 -26.126 1.00 0.00 C ATOM 662 O MET A 47 -4.764 20.367 -25.489 1.00 0.00 O ATOM 663 CB MET A 47 -3.207 19.265 -27.405 1.00 0.00 C ATOM 664 CG MET A 47 -4.522 18.686 -27.902 1.00 0.00 C ATOM 665 SD MET A 47 -4.524 18.393 -29.681 1.00 0.00 S ATOM 666 CE MET A 47 -5.391 19.848 -30.262 1.00 0.00 C ATOM 0 H MET A 47 -1.551 21.954 -27.787 1.00 0.00 H new ATOM 0 HA MET A 47 -3.607 21.220 -28.200 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.409 18.972 -28.088 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.971 18.829 -26.434 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.721 17.748 -27.383 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.334 19.368 -27.649 1.00 0.00 H new ATOM 0 HE1 MET A 47 -6.224 19.546 -30.896 1.00 0.00 H new ATOM 0 HE2 MET A 47 -5.770 20.411 -29.409 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.707 20.474 -30.835 1.00 0.00 H new ATOM 676 N GLU A 48 -4.187 22.509 -25.866 1.00 0.00 N ATOM 677 CA GLU A 48 -5.019 23.036 -24.790 1.00 0.00 C ATOM 678 C GLU A 48 -6.395 23.438 -25.314 1.00 0.00 C ATOM 679 O GLU A 48 -6.706 23.240 -26.489 1.00 0.00 O ATOM 680 CB GLU A 48 -4.341 24.240 -24.133 1.00 0.00 C ATOM 681 CG GLU A 48 -2.895 23.984 -23.741 1.00 0.00 C ATOM 682 CD GLU A 48 -2.768 23.022 -22.576 1.00 0.00 C ATOM 683 OE1 GLU A 48 -3.119 21.836 -22.745 1.00 0.00 O ATOM 684 OE2 GLU A 48 -2.317 23.456 -21.495 1.00 0.00 O ATOM 0 H GLU A 48 -3.669 23.218 -26.385 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.147 22.249 -24.046 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.379 25.087 -24.819 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.905 24.524 -23.245 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.355 23.583 -24.599 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.420 24.930 -23.480 1.00 0.00 H new ATOM 691 N ASP A 49 -7.215 24.003 -24.434 1.00 0.00 N ATOM 692 CA ASP A 49 -8.557 24.433 -24.807 1.00 0.00 C ATOM 693 C ASP A 49 -8.518 25.331 -26.040 1.00 0.00 C ATOM 694 O ASP A 49 -9.453 25.344 -26.839 1.00 0.00 O ATOM 695 CB ASP A 49 -9.220 25.172 -23.643 1.00 0.00 C ATOM 696 CG ASP A 49 -10.733 25.076 -23.683 1.00 0.00 C ATOM 697 OD1 ASP A 49 -11.283 24.822 -24.775 1.00 0.00 O ATOM 698 OD2 ASP A 49 -11.366 25.255 -22.622 1.00 0.00 O ATOM 0 H ASP A 49 -6.973 24.174 -23.458 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.143 23.545 -25.045 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.857 24.760 -22.701 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.925 26.221 -23.667 1.00 0.00 H new ATOM 703 N GLN A 50 -7.430 26.080 -26.185 1.00 0.00 N ATOM 704 CA GLN A 50 -7.270 26.982 -27.319 1.00 0.00 C ATOM 705 C GLN A 50 -6.816 26.221 -28.561 1.00 0.00 C ATOM 706 O GLN A 50 -7.352 26.417 -29.652 1.00 0.00 O ATOM 707 CB GLN A 50 -6.262 28.083 -26.985 1.00 0.00 C ATOM 708 CG GLN A 50 -6.889 29.460 -26.844 1.00 0.00 C ATOM 709 CD GLN A 50 -6.361 30.450 -27.864 1.00 0.00 C ATOM 710 OE1 GLN A 50 -5.483 31.259 -27.563 1.00 0.00 O ATOM 711 NE2 GLN A 50 -6.894 30.389 -29.079 1.00 0.00 N ATOM 0 H GLN A 50 -6.647 26.080 -25.532 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.238 27.437 -27.527 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.753 27.828 -26.056 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.502 28.117 -27.766 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.970 29.375 -26.952 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.698 29.841 -25.841 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.620 29.702 -29.284 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.578 31.029 -29.807 1.00 0.00 H new ATOM 720 N ASP A 51 -5.827 25.352 -28.387 1.00 0.00 N ATOM 721 CA ASP A 51 -5.301 24.560 -29.493 1.00 0.00 C ATOM 722 C ASP A 51 -6.405 23.730 -30.139 1.00 0.00 C ATOM 723 O ASP A 51 -6.398 23.502 -31.350 1.00 0.00 O ATOM 724 CB ASP A 51 -4.177 23.645 -29.004 1.00 0.00 C ATOM 725 CG ASP A 51 -3.010 24.420 -28.424 1.00 0.00 C ATOM 726 OD1 ASP A 51 -3.147 24.947 -27.300 1.00 0.00 O ATOM 727 OD2 ASP A 51 -1.960 24.499 -29.095 1.00 0.00 O ATOM 0 H ASP A 51 -5.373 25.178 -27.490 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.901 25.245 -30.241 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.569 22.965 -28.248 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.825 23.031 -29.833 1.00 0.00 H new ATOM 732 N LEU A 52 -7.353 23.279 -29.325 1.00 0.00 N ATOM 733 CA LEU A 52 -8.464 22.472 -29.816 1.00 0.00 C ATOM 734 C LEU A 52 -9.399 23.305 -30.687 1.00 0.00 C ATOM 735 O LEU A 52 -10.086 22.776 -31.562 1.00 0.00 O ATOM 736 CB LEU A 52 -9.242 21.870 -28.644 1.00 0.00 C ATOM 737 CG LEU A 52 -8.540 20.749 -27.878 1.00 0.00 C ATOM 738 CD1 LEU A 52 -9.182 20.551 -26.514 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.573 19.455 -28.678 1.00 0.00 C ATOM 0 H LEU A 52 -7.374 23.459 -28.321 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.053 21.665 -30.423 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.479 22.670 -27.942 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.190 21.487 -29.022 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.499 21.034 -27.728 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.669 19.749 -25.983 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.106 21.474 -25.939 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.232 20.288 -26.641 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.069 18.668 -28.118 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.608 19.165 -28.859 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.066 19.604 -29.631 1.00 0.00 H new ATOM 751 N LEU A 53 -9.418 24.611 -30.444 1.00 0.00 N ATOM 752 CA LEU A 53 -10.267 25.519 -31.207 1.00 0.00 C ATOM 753 C LEU A 53 -9.580 25.950 -32.499 1.00 0.00 C ATOM 754 O LEU A 53 -10.241 26.292 -33.480 1.00 0.00 O ATOM 755 CB LEU A 53 -10.616 26.749 -30.368 1.00 0.00 C ATOM 756 CG LEU A 53 -11.363 27.868 -31.095 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.770 27.422 -31.458 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.404 29.126 -30.239 1.00 0.00 C ATOM 0 H LEU A 53 -8.855 25.065 -29.725 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.184 24.989 -31.463 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.221 26.426 -29.521 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.692 27.161 -29.961 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.828 28.097 -32.016 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.286 28.231 -31.975 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.718 26.550 -32.110 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.316 27.165 -30.550 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.939 29.912 -30.772 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.915 28.911 -29.301 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.387 29.457 -30.030 1.00 0.00 H new ATOM 770 N GLU A 54 -8.251 25.927 -32.493 1.00 0.00 N ATOM 771 CA GLU A 54 -7.476 26.314 -33.666 1.00 0.00 C ATOM 772 C GLU A 54 -7.426 25.178 -34.684 1.00 0.00 C ATOM 773 O GLU A 54 -7.510 25.409 -35.891 1.00 0.00 O ATOM 774 CB GLU A 54 -6.055 26.709 -33.258 1.00 0.00 C ATOM 775 CG GLU A 54 -6.003 27.625 -32.046 1.00 0.00 C ATOM 776 CD GLU A 54 -5.090 28.818 -32.256 1.00 0.00 C ATOM 777 OE1 GLU A 54 -3.915 28.608 -32.621 1.00 0.00 O ATOM 778 OE2 GLU A 54 -5.552 29.961 -32.055 1.00 0.00 O ATOM 0 H GLU A 54 -7.689 25.645 -31.690 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.966 27.171 -34.127 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.483 25.806 -33.046 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.569 27.204 -34.099 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.009 27.978 -31.818 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.660 27.058 -31.181 1.00 0.00 H new ATOM 785 N ILE A 55 -7.290 23.953 -34.189 1.00 0.00 N ATOM 786 CA ILE A 55 -7.229 22.782 -35.055 1.00 0.00 C ATOM 787 C ILE A 55 -8.496 22.653 -35.894 1.00 0.00 C ATOM 788 O ILE A 55 -8.482 22.059 -36.971 1.00 0.00 O ATOM 789 CB ILE A 55 -7.032 21.490 -34.241 1.00 0.00 C ATOM 790 CG1 ILE A 55 -8.141 21.345 -33.197 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.665 21.487 -33.574 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.214 19.965 -32.581 1.00 0.00 C ATOM 0 H ILE A 55 -7.220 23.745 -33.193 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.372 22.921 -35.714 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.085 20.639 -34.920 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.983 22.079 -32.407 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.099 21.578 -33.662 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.541 20.567 -33.002 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.888 21.548 -34.336 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.585 22.344 -32.905 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.022 19.935 -31.850 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.403 19.228 -33.361 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.270 19.737 -32.087 1.00 0.00 H new ATOM 804 N GLY A 56 -9.592 23.216 -35.393 1.00 0.00 N ATOM 805 CA GLY A 56 -10.852 23.154 -36.110 1.00 0.00 C ATOM 806 C GLY A 56 -12.024 22.852 -35.197 1.00 0.00 C ATOM 807 O GLY A 56 -13.089 23.458 -35.322 1.00 0.00 O ATOM 0 H GLY A 56 -9.629 23.714 -34.503 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.025 24.103 -36.617 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.790 22.387 -36.882 1.00 0.00 H new ATOM 811 N ILE A 57 -11.829 21.913 -34.278 1.00 0.00 N ATOM 812 CA ILE A 57 -12.879 21.531 -33.342 1.00 0.00 C ATOM 813 C ILE A 57 -13.458 22.753 -32.637 1.00 0.00 C ATOM 814 O ILE A 57 -12.791 23.384 -31.815 1.00 0.00 O ATOM 815 CB ILE A 57 -12.358 20.541 -32.284 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.792 19.290 -32.959 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.469 20.169 -31.313 1.00 0.00 C ATOM 818 CD1 ILE A 57 -11.138 18.326 -31.994 1.00 0.00 C ATOM 0 H ILE A 57 -10.954 21.403 -34.161 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.661 21.047 -33.926 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.557 21.022 -31.722 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.596 18.775 -33.485 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.062 19.591 -33.710 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.085 19.469 -30.571 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.830 21.067 -30.811 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.290 19.705 -31.860 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.760 17.463 -32.542 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.312 18.824 -31.486 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.870 17.995 -31.258 1.00 0.00 H new ATOM 830 N LEU A 58 -14.703 23.083 -32.962 1.00 0.00 N ATOM 831 CA LEU A 58 -15.374 24.229 -32.358 1.00 0.00 C ATOM 832 C LEU A 58 -16.302 23.786 -31.232 1.00 0.00 C ATOM 833 O LEU A 58 -16.579 24.548 -30.307 1.00 0.00 O ATOM 834 CB LEU A 58 -16.168 24.996 -33.417 1.00 0.00 C ATOM 835 CG LEU A 58 -15.422 25.318 -34.713 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.290 26.163 -35.632 1.00 0.00 C ATOM 837 CD2 LEU A 58 -14.111 26.029 -34.411 1.00 0.00 C ATOM 0 H LEU A 58 -15.269 22.573 -33.641 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.612 24.885 -31.938 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.056 24.416 -33.667 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.512 25.932 -32.977 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.195 24.381 -35.222 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.743 26.382 -36.549 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.202 25.617 -35.875 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.549 27.096 -35.132 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.594 26.250 -35.345 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.315 26.959 -33.880 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.484 25.388 -33.792 1.00 0.00 H new ATOM 849 N ASN A 59 -16.778 22.547 -31.317 1.00 0.00 N ATOM 850 CA ASN A 59 -17.674 22.002 -30.304 1.00 0.00 C ATOM 851 C ASN A 59 -17.085 22.174 -28.907 1.00 0.00 C ATOM 852 O ASN A 59 -16.110 21.514 -28.547 1.00 0.00 O ATOM 853 CB ASN A 59 -17.944 20.521 -30.576 1.00 0.00 C ATOM 854 CG ASN A 59 -19.218 20.302 -31.368 1.00 0.00 C ATOM 855 OD1 ASN A 59 -20.179 21.061 -31.241 1.00 0.00 O ATOM 856 ND2 ASN A 59 -19.232 19.259 -32.191 1.00 0.00 N ATOM 0 H ASN A 59 -16.558 21.903 -32.076 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.614 22.551 -30.353 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.102 20.095 -31.122 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.012 19.987 -29.628 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -20.062 19.061 -32.749 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.412 18.656 -32.264 1.00 0.00 H new ATOM 863 N SER A 60 -17.683 23.066 -28.124 1.00 0.00 N ATOM 864 CA SER A 60 -17.217 23.328 -26.768 1.00 0.00 C ATOM 865 C SER A 60 -17.422 22.106 -25.877 1.00 0.00 C ATOM 866 O SER A 60 -16.519 21.697 -25.148 1.00 0.00 O ATOM 867 CB SER A 60 -17.951 24.532 -26.177 1.00 0.00 C ATOM 868 OG SER A 60 -17.682 24.665 -24.792 1.00 0.00 O ATOM 0 H SER A 60 -18.492 23.620 -28.406 1.00 0.00 H new ATOM 0 HA SER A 60 -16.150 23.548 -26.814 1.00 0.00 H new ATOM 0 HB2 SER A 60 -17.646 25.439 -26.698 1.00 0.00 H new ATOM 0 HB3 SER A 60 -19.024 24.420 -26.333 1.00 0.00 H new ATOM 0 HG SER A 60 -18.162 25.443 -24.439 1.00 0.00 H new ATOM 874 N GLY A 61 -18.617 21.527 -25.943 1.00 0.00 N ATOM 875 CA GLY A 61 -18.920 20.358 -25.138 1.00 0.00 C ATOM 876 C GLY A 61 -17.896 19.254 -25.311 1.00 0.00 C ATOM 877 O GLY A 61 -17.629 18.494 -24.380 1.00 0.00 O ATOM 0 H GLY A 61 -19.380 21.846 -26.539 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.966 20.646 -24.088 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.906 19.980 -25.408 1.00 0.00 H new ATOM 881 N HIS A 62 -17.322 19.163 -26.507 1.00 0.00 N ATOM 882 CA HIS A 62 -16.322 18.142 -26.799 1.00 0.00 C ATOM 883 C HIS A 62 -14.919 18.646 -26.471 1.00 0.00 C ATOM 884 O HIS A 62 -14.067 17.886 -26.012 1.00 0.00 O ATOM 885 CB HIS A 62 -16.398 17.729 -28.269 1.00 0.00 C ATOM 886 CG HIS A 62 -17.712 17.123 -28.654 1.00 0.00 C ATOM 887 ND1 HIS A 62 -18.046 16.814 -29.955 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.777 16.766 -27.899 1.00 0.00 C ATOM 889 CE1 HIS A 62 -19.260 16.295 -29.985 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.726 16.254 -28.749 1.00 0.00 N ATOM 0 H HIS A 62 -17.532 19.783 -27.289 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.532 17.274 -26.175 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.214 18.603 -28.893 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.602 17.014 -28.479 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.864 16.865 -26.827 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.783 15.961 -30.869 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.641 15.900 -28.472 1.00 0.00 H new ATOM 898 N ARG A 63 -14.687 19.933 -26.712 1.00 0.00 N ATOM 899 CA ARG A 63 -13.388 20.537 -26.445 1.00 0.00 C ATOM 900 C ARG A 63 -12.941 20.256 -25.013 1.00 0.00 C ATOM 901 O ARG A 63 -11.809 19.836 -24.778 1.00 0.00 O ATOM 902 CB ARG A 63 -13.445 22.047 -26.685 1.00 0.00 C ATOM 903 CG ARG A 63 -13.116 22.449 -28.114 1.00 0.00 C ATOM 904 CD ARG A 63 -12.180 23.647 -28.154 1.00 0.00 C ATOM 905 NE ARG A 63 -12.793 24.840 -27.577 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.637 25.625 -28.238 1.00 0.00 C ATOM 907 NH1 ARG A 63 -13.967 25.344 -29.491 1.00 0.00 N ATOM 908 NH2 ARG A 63 -14.154 26.694 -27.645 1.00 0.00 N ATOM 0 H ARG A 63 -15.382 20.576 -27.091 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.663 20.094 -27.127 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.442 22.409 -26.435 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.748 22.541 -26.008 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.655 21.608 -28.633 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.036 22.687 -28.647 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.265 23.411 -27.611 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.894 23.849 -29.186 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.561 25.084 -26.614 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.573 24.523 -29.950 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.615 25.949 -29.996 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.903 26.914 -26.681 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.802 27.296 -28.153 1.00 0.00 H new ATOM 922 N GLN A 64 -13.839 20.491 -24.062 1.00 0.00 N ATOM 923 CA GLN A 64 -13.537 20.265 -22.653 1.00 0.00 C ATOM 924 C GLN A 64 -13.311 18.782 -22.377 1.00 0.00 C ATOM 925 O GLN A 64 -12.381 18.408 -21.663 1.00 0.00 O ATOM 926 CB GLN A 64 -14.672 20.793 -21.774 1.00 0.00 C ATOM 927 CG GLN A 64 -14.899 22.290 -21.908 1.00 0.00 C ATOM 928 CD GLN A 64 -16.026 22.790 -21.026 1.00 0.00 C ATOM 929 OE1 GLN A 64 -16.804 22.003 -20.487 1.00 0.00 O ATOM 930 NE2 GLN A 64 -16.120 24.106 -20.875 1.00 0.00 N ATOM 0 H GLN A 64 -14.781 20.838 -24.241 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.621 20.805 -22.412 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.593 20.270 -22.031 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.453 20.559 -20.732 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.980 22.817 -21.651 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.123 22.528 -22.948 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.453 24.722 -21.341 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.859 24.501 -20.293 1.00 0.00 H new ATOM 939 N ARG A 65 -14.169 17.942 -22.947 1.00 0.00 N ATOM 940 CA ARG A 65 -14.065 16.500 -22.760 1.00 0.00 C ATOM 941 C ARG A 65 -12.664 16.006 -23.110 1.00 0.00 C ATOM 942 O ARG A 65 -12.125 15.117 -22.450 1.00 0.00 O ATOM 943 CB ARG A 65 -15.102 15.776 -23.621 1.00 0.00 C ATOM 944 CG ARG A 65 -16.391 15.458 -22.882 1.00 0.00 C ATOM 945 CD ARG A 65 -17.467 14.953 -23.831 1.00 0.00 C ATOM 946 NE ARG A 65 -18.160 13.783 -23.299 1.00 0.00 N ATOM 947 CZ ARG A 65 -19.312 13.329 -23.781 1.00 0.00 C ATOM 948 NH1 ARG A 65 -19.896 13.943 -24.800 1.00 0.00 N ATOM 949 NH2 ARG A 65 -19.882 12.258 -23.243 1.00 0.00 N ATOM 0 H ARG A 65 -14.944 18.235 -23.542 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.258 16.281 -21.710 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.334 16.391 -24.490 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.668 14.848 -23.994 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.197 14.706 -22.117 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.747 16.351 -22.368 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -18.189 15.748 -24.017 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.015 14.702 -24.791 1.00 0.00 H new ATOM 0 HE ARG A 65 -17.737 13.287 -22.515 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -19.461 14.766 -25.216 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.780 13.592 -25.168 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -19.436 11.783 -22.459 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -20.766 11.910 -23.614 1.00 0.00 H new ATOM 963 N ILE A 66 -12.080 16.589 -24.152 1.00 0.00 N ATOM 964 CA ILE A 66 -10.742 16.209 -24.588 1.00 0.00 C ATOM 965 C ILE A 66 -9.680 16.741 -23.632 1.00 0.00 C ATOM 966 O ILE A 66 -8.694 16.062 -23.341 1.00 0.00 O ATOM 967 CB ILE A 66 -10.445 16.728 -26.008 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.476 16.185 -26.999 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.038 16.335 -26.431 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.419 16.850 -28.356 1.00 0.00 C ATOM 0 H ILE A 66 -12.512 17.326 -24.709 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.709 15.120 -24.593 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.512 17.816 -26.003 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.320 15.113 -27.122 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.474 16.316 -26.581 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.843 16.709 -27.436 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.316 16.765 -25.737 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.946 15.249 -26.423 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.178 16.415 -29.007 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.605 17.918 -28.246 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.433 16.697 -28.795 1.00 0.00 H new ATOM 982 N LEU A 67 -9.887 17.959 -23.145 1.00 0.00 N ATOM 983 CA LEU A 67 -8.948 18.583 -22.219 1.00 0.00 C ATOM 984 C LEU A 67 -8.650 17.660 -21.042 1.00 0.00 C ATOM 985 O LEU A 67 -7.495 17.482 -20.658 1.00 0.00 O ATOM 986 CB LEU A 67 -9.509 19.912 -21.711 1.00 0.00 C ATOM 987 CG LEU A 67 -8.867 21.175 -22.285 1.00 0.00 C ATOM 988 CD1 LEU A 67 -9.530 22.419 -21.712 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.372 21.188 -22.004 1.00 0.00 C ATOM 0 H LEU A 67 -10.697 18.535 -23.376 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.017 18.770 -22.755 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.577 19.940 -21.929 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.405 19.936 -20.626 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.014 21.175 -23.365 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.060 23.308 -22.132 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.590 22.415 -21.965 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.415 22.426 -20.628 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.932 22.094 -22.420 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.204 21.164 -20.927 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.908 20.315 -22.463 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.700 17.075 -20.474 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.550 16.169 -19.342 1.00 0.00 C ATOM 1003 C GLN A 68 -8.747 14.934 -19.736 1.00 0.00 C ATOM 1004 O GLN A 68 -7.820 14.534 -19.033 1.00 0.00 O ATOM 1005 CB GLN A 68 -10.922 15.752 -18.810 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.173 16.178 -17.372 1.00 0.00 C ATOM 1007 CD GLN A 68 -12.641 16.423 -17.084 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -13.301 17.197 -17.777 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -13.160 15.762 -16.055 1.00 0.00 N ATOM 0 H GLN A 68 -10.663 17.213 -20.779 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.009 16.696 -18.556 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.695 16.181 -19.447 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.016 14.668 -18.881 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.798 15.408 -16.698 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.609 17.087 -17.163 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.576 15.130 -15.508 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.143 15.886 -15.812 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.111 14.332 -20.864 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.423 13.143 -21.352 1.00 0.00 C ATOM 1020 C ALA A 69 -6.927 13.398 -21.504 1.00 0.00 C ATOM 1021 O ALA A 69 -6.105 12.559 -21.135 1.00 0.00 O ATOM 1022 CB ALA A 69 -9.021 12.694 -22.677 1.00 0.00 C ATOM 0 H ALA A 69 -9.878 14.648 -21.457 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.557 12.349 -20.618 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.498 11.805 -23.030 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.077 12.463 -22.540 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.917 13.492 -23.412 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.582 14.559 -22.049 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.185 14.923 -22.250 1.00 0.00 C ATOM 1030 C ILE A 70 -4.479 15.147 -20.917 1.00 0.00 C ATOM 1031 O ILE A 70 -3.282 14.893 -20.788 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.052 16.195 -23.108 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.732 15.995 -24.464 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.586 16.559 -23.293 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -6.007 17.288 -25.199 1.00 0.00 C ATOM 0 H ILE A 70 -7.251 15.264 -22.359 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.714 14.091 -22.773 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.548 17.017 -22.592 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.102 15.359 -25.087 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.672 15.464 -24.315 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.509 17.460 -23.902 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.130 16.739 -22.319 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.068 15.739 -23.791 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.490 17.069 -26.151 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.662 17.917 -24.596 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.068 17.811 -25.380 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.229 15.622 -19.928 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.674 15.879 -18.604 1.00 0.00 C ATOM 1049 C GLN A 71 -4.376 14.572 -17.877 1.00 0.00 C ATOM 1050 O GLN A 71 -3.497 14.516 -17.015 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.643 16.727 -17.778 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.281 18.203 -17.742 1.00 0.00 C ATOM 1053 CD GLN A 71 -6.061 18.969 -16.692 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -7.243 19.264 -16.872 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -5.402 19.297 -15.587 1.00 0.00 N ATOM 0 H GLN A 71 -6.222 15.837 -20.018 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.739 16.426 -18.728 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.648 16.618 -18.187 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.670 16.343 -16.758 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.214 18.307 -17.544 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.468 18.643 -18.721 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.423 19.032 -15.480 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.875 19.814 -14.846 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.112 13.523 -18.228 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.926 12.216 -17.608 1.00 0.00 C ATOM 1066 C LEU A 72 -3.747 11.479 -18.235 1.00 0.00 C ATOM 1067 O LEU A 72 -3.106 10.648 -17.590 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.199 11.379 -17.747 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.432 11.905 -17.013 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.622 10.987 -17.241 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.146 12.050 -15.525 1.00 0.00 C ATOM 0 H LEU A 72 -5.843 13.552 -18.939 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.713 12.369 -16.550 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.440 11.295 -18.807 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.989 10.372 -17.387 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.676 12.889 -17.414 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.490 11.378 -16.711 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.842 10.934 -18.307 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.389 9.989 -16.869 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.035 12.426 -15.019 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.875 11.079 -15.110 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.323 12.749 -15.379 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.466 11.788 -19.496 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.362 11.156 -20.211 1.00 0.00 C ATOM 1085 C LEU A 73 -1.066 11.261 -19.413 1.00 0.00 C ATOM 1086 O LEU A 73 -0.916 12.110 -18.534 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.182 11.803 -21.585 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.097 11.284 -22.696 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -2.933 12.120 -23.956 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -2.807 9.819 -22.985 1.00 0.00 C ATOM 0 H LEU A 73 -3.987 12.472 -20.045 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.602 10.101 -20.342 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.341 12.877 -21.483 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.147 11.662 -21.898 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.130 11.370 -22.359 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.591 11.736 -24.735 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.191 13.157 -23.741 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.899 12.067 -24.296 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.467 9.467 -23.778 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.770 9.709 -23.301 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.976 9.230 -22.084 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.105 10.380 -19.727 1.00 0.00 N ATOM 1103 CA PRO A 74 1.197 10.355 -19.053 1.00 0.00 C ATOM 1104 C PRO A 74 2.055 11.565 -19.406 1.00 0.00 C ATOM 1105 O PRO A 74 2.207 11.910 -20.578 1.00 0.00 O ATOM 1106 CB PRO A 74 1.843 9.070 -19.578 1.00 0.00 C ATOM 1107 CG PRO A 74 1.194 8.831 -20.897 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.215 9.340 -20.764 1.00 0.00 C ATOM 0 HA PRO A 74 1.096 10.385 -17.968 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.922 9.184 -19.683 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.675 8.236 -18.897 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.724 9.354 -21.693 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.204 7.771 -21.150 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.585 9.748 -21.705 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.902 8.548 -20.467 1.00 0.00 H new