USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 398 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 18 SER OG : rot 180:sc= -1.05 USER MOD Set 1.2: A 19 HIS : no HE2:sc= -0.462 K(o=-1.5,f=-5.5!) USER MOD Single : A 13 HIS : no HD1:sc= -3.01! C(o=-3!,f=-5.7!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 31:sc= 1.01 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 36 GLN : amide:sc= -1.51! C(o=-1.5!,f=-1.4!) USER MOD Single : A 37 SER OG : rot 27:sc= 0.527! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -9.07! C(o=-9.1!,f=-16!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 57 ASN : amide:sc= -0.0777 K(o=-0.078,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 8 -0.757 -3.158 18.161 1.00 0.00 N ATOM 98 CA LEU A 8 0.554 -3.612 18.707 1.00 0.00 C ATOM 99 C LEU A 8 0.334 -4.520 19.921 1.00 0.00 C ATOM 100 O LEU A 8 -0.640 -4.391 20.634 1.00 0.00 O ATOM 101 CB LEU A 8 1.278 -2.331 19.120 1.00 0.00 C ATOM 102 CG LEU A 8 1.483 -1.443 17.891 1.00 0.00 C ATOM 103 CD1 LEU A 8 0.197 -0.665 17.603 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.625 -0.459 18.157 1.00 0.00 C ATOM 0 HA LEU A 8 1.128 -4.186 17.980 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.697 -1.799 19.874 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.240 -2.574 19.571 1.00 0.00 H new ATOM 0 HG LEU A 8 1.732 -2.065 17.031 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.343 -0.032 16.727 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.617 -1.365 17.413 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.052 -0.043 18.463 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.771 0.174 17.282 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.376 0.163 19.017 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.542 -1.012 18.362 1.00 0.00 H new ATOM 116 N VAL A 9 1.231 -5.439 20.158 1.00 0.00 N ATOM 117 CA VAL A 9 1.067 -6.353 21.326 1.00 0.00 C ATOM 118 C VAL A 9 2.421 -6.938 21.738 1.00 0.00 C ATOM 119 O VAL A 9 3.425 -6.729 21.087 1.00 0.00 O ATOM 120 CB VAL A 9 0.140 -7.464 20.832 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.284 -6.922 20.700 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.624 -7.963 19.470 1.00 0.00 C ATOM 0 H VAL A 9 2.067 -5.596 19.596 1.00 0.00 H new ATOM 0 HA VAL A 9 0.663 -5.837 22.197 1.00 0.00 H new ATOM 0 HB VAL A 9 0.149 -8.288 21.546 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.944 -7.715 20.348 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.630 -6.567 21.671 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.295 -6.097 19.987 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.036 -8.755 19.117 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.616 -7.139 18.757 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.638 -8.351 19.564 1.00 0.00 H new ATOM 132 N ILE A 10 2.449 -7.680 22.812 1.00 0.00 N ATOM 133 CA ILE A 10 3.730 -8.290 23.267 1.00 0.00 C ATOM 134 C ILE A 10 3.632 -9.816 23.189 1.00 0.00 C ATOM 135 O ILE A 10 2.602 -10.394 23.474 1.00 0.00 O ATOM 136 CB ILE A 10 3.895 -7.840 24.719 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.933 -6.312 24.780 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.199 -8.406 25.284 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.793 -5.857 26.234 1.00 0.00 C ATOM 0 H ILE A 10 1.638 -7.890 23.394 1.00 0.00 H new ATOM 0 HA ILE A 10 4.577 -7.986 22.651 1.00 0.00 H new ATOM 0 HB ILE A 10 3.055 -8.205 25.309 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.869 -5.944 24.361 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.127 -5.893 24.177 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.317 -8.085 26.319 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.171 -9.495 25.243 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.040 -8.042 24.694 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.820 -4.768 26.279 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.845 -6.213 26.637 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.614 -6.265 26.824 1.00 0.00 H new ATOM 151 N ALA A 11 4.689 -10.473 22.801 1.00 0.00 N ATOM 152 CA ALA A 11 4.643 -11.959 22.705 1.00 0.00 C ATOM 153 C ALA A 11 4.824 -12.590 24.089 1.00 0.00 C ATOM 154 O ALA A 11 5.857 -12.453 24.711 1.00 0.00 O ATOM 155 CB ALA A 11 5.808 -12.333 21.789 1.00 0.00 C ATOM 0 H ALA A 11 5.580 -10.047 22.547 1.00 0.00 H new ATOM 0 HA ALA A 11 3.688 -12.316 22.319 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.842 -13.416 21.668 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.671 -11.863 20.815 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.743 -11.988 22.230 1.00 0.00 H new ATOM 161 N LEU A 12 3.835 -13.290 24.571 1.00 0.00 N ATOM 162 CA LEU A 12 3.970 -13.936 25.908 1.00 0.00 C ATOM 163 C LEU A 12 4.972 -15.086 25.814 1.00 0.00 C ATOM 164 O LEU A 12 5.567 -15.494 26.793 1.00 0.00 O ATOM 165 CB LEU A 12 2.574 -14.463 26.240 1.00 0.00 C ATOM 166 CG LEU A 12 2.550 -14.976 27.681 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.296 -13.808 28.635 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.434 -16.012 27.835 1.00 0.00 C ATOM 0 H LEU A 12 2.943 -13.443 24.100 1.00 0.00 H new ATOM 0 HA LEU A 12 4.330 -13.249 26.674 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.835 -13.672 26.112 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.304 -15.265 25.553 1.00 0.00 H new ATOM 0 HG LEU A 12 3.509 -15.436 27.918 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.279 -14.174 29.662 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.091 -13.070 28.526 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.337 -13.347 28.398 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.416 -16.378 28.862 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.475 -15.552 27.597 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.615 -16.845 27.156 1.00 0.00 H new ATOM 180 N HIS A 13 5.162 -15.608 24.633 1.00 0.00 N ATOM 181 CA HIS A 13 6.125 -16.731 24.447 1.00 0.00 C ATOM 182 C HIS A 13 6.563 -16.793 22.983 1.00 0.00 C ATOM 183 O HIS A 13 5.806 -16.476 22.089 1.00 0.00 O ATOM 184 CB HIS A 13 5.340 -17.985 24.827 1.00 0.00 C ATOM 185 CG HIS A 13 5.293 -18.116 26.324 1.00 0.00 C ATOM 186 ND1 HIS A 13 4.167 -17.787 27.061 1.00 0.00 N ATOM 187 CD2 HIS A 13 6.228 -18.537 27.237 1.00 0.00 C ATOM 188 CE1 HIS A 13 4.449 -18.012 28.357 1.00 0.00 C ATOM 189 NE2 HIS A 13 5.693 -18.470 28.521 1.00 0.00 N ATOM 0 H HIS A 13 4.688 -15.303 23.783 1.00 0.00 H new ATOM 0 HA HIS A 13 7.026 -16.619 25.049 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.328 -17.929 24.425 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.809 -18.866 24.389 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.227 -18.870 26.996 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.754 -17.843 29.166 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.152 -18.717 29.398 1.00 0.00 H new ATOM 197 N SER A 14 7.774 -17.202 22.723 1.00 0.00 N ATOM 198 CA SER A 14 8.239 -17.280 21.308 1.00 0.00 C ATOM 199 C SER A 14 7.362 -18.260 20.524 1.00 0.00 C ATOM 200 O SER A 14 6.922 -19.263 21.048 1.00 0.00 O ATOM 201 CB SER A 14 9.677 -17.792 21.390 1.00 0.00 C ATOM 202 OG SER A 14 9.669 -19.171 21.725 1.00 0.00 O ATOM 0 H SER A 14 8.459 -17.484 23.424 1.00 0.00 H new ATOM 0 HA SER A 14 8.181 -16.319 20.797 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.183 -17.641 20.436 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.233 -17.228 22.139 1.00 0.00 H new ATOM 0 HG SER A 14 10.591 -19.501 21.776 1.00 0.00 H new ATOM 208 N TYR A 15 7.101 -17.984 19.274 1.00 0.00 N ATOM 209 CA TYR A 15 6.250 -18.916 18.479 1.00 0.00 C ATOM 210 C TYR A 15 7.115 -19.791 17.570 1.00 0.00 C ATOM 211 O TYR A 15 8.267 -19.498 17.319 1.00 0.00 O ATOM 212 CB TYR A 15 5.340 -18.017 17.644 1.00 0.00 C ATOM 213 CG TYR A 15 4.506 -18.876 16.725 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.377 -19.536 17.221 1.00 0.00 C ATOM 215 CD2 TYR A 15 4.865 -19.017 15.380 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.605 -20.337 16.372 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.092 -19.817 14.530 1.00 0.00 C ATOM 218 CZ TYR A 15 2.962 -20.477 15.026 1.00 0.00 C ATOM 219 OH TYR A 15 2.201 -21.267 14.189 1.00 0.00 O ATOM 0 H TYR A 15 7.437 -17.161 18.773 1.00 0.00 H new ATOM 0 HA TYR A 15 5.681 -19.591 19.119 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.695 -17.426 18.295 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.937 -17.314 17.063 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.101 -19.427 18.259 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.738 -18.509 14.998 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.734 -20.847 16.755 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.368 -19.925 13.491 1.00 0.00 H new ATOM 0 HH TYR A 15 1.266 -21.249 14.483 1.00 0.00 H new ATOM 229 N GLU A 16 6.563 -20.864 17.070 1.00 0.00 N ATOM 230 CA GLU A 16 7.344 -21.760 16.170 1.00 0.00 C ATOM 231 C GLU A 16 6.800 -21.667 14.743 1.00 0.00 C ATOM 232 O GLU A 16 5.683 -22.062 14.476 1.00 0.00 O ATOM 233 CB GLU A 16 7.140 -23.166 16.734 1.00 0.00 C ATOM 234 CG GLU A 16 8.257 -24.083 16.229 1.00 0.00 C ATOM 235 CD GLU A 16 9.205 -24.415 17.383 1.00 0.00 C ATOM 236 OE1 GLU A 16 8.877 -25.299 18.158 1.00 0.00 O ATOM 237 OE2 GLU A 16 10.242 -23.779 17.473 1.00 0.00 O ATOM 0 H GLU A 16 5.603 -21.159 17.247 1.00 0.00 H new ATOM 0 HA GLU A 16 8.399 -21.491 16.128 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.143 -23.137 17.824 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.169 -23.555 16.428 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.832 -24.999 15.818 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.805 -23.596 15.422 1.00 0.00 H new ATOM 244 N PRO A 17 7.615 -21.136 13.873 1.00 0.00 N ATOM 245 CA PRO A 17 7.174 -20.994 12.465 1.00 0.00 C ATOM 246 C PRO A 17 7.184 -22.353 11.760 1.00 0.00 C ATOM 247 O PRO A 17 8.206 -22.806 11.282 1.00 0.00 O ATOM 248 CB PRO A 17 8.208 -20.061 11.850 1.00 0.00 C ATOM 249 CG PRO A 17 9.441 -20.230 12.680 1.00 0.00 C ATOM 250 CD PRO A 17 9.025 -20.760 14.031 1.00 0.00 C ATOM 0 HA PRO A 17 6.157 -20.611 12.377 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.398 -20.318 10.808 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.863 -19.027 11.866 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.134 -20.919 12.197 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.961 -19.278 12.788 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.632 -21.617 14.323 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.147 -20.004 14.807 1.00 0.00 H new ATOM 258 N SER A 18 6.056 -23.006 11.688 1.00 0.00 N ATOM 259 CA SER A 18 6.008 -24.332 11.009 1.00 0.00 C ATOM 260 C SER A 18 5.952 -24.144 9.491 1.00 0.00 C ATOM 261 O SER A 18 5.936 -25.097 8.737 1.00 0.00 O ATOM 262 CB SER A 18 4.725 -24.990 11.517 1.00 0.00 C ATOM 263 OG SER A 18 3.600 -24.345 10.938 1.00 0.00 O ATOM 0 H SER A 18 5.168 -22.680 12.069 1.00 0.00 H new ATOM 0 HA SER A 18 6.888 -24.939 11.222 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.721 -26.050 11.261 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.676 -24.924 12.604 1.00 0.00 H new ATOM 0 HG SER A 18 2.778 -24.768 11.262 1.00 0.00 H new ATOM 269 N HIS A 19 5.923 -22.920 9.036 1.00 0.00 N ATOM 270 CA HIS A 19 5.871 -22.669 7.567 1.00 0.00 C ATOM 271 C HIS A 19 6.890 -21.593 7.180 1.00 0.00 C ATOM 272 O HIS A 19 7.614 -21.084 8.012 1.00 0.00 O ATOM 273 CB HIS A 19 4.447 -22.179 7.298 1.00 0.00 C ATOM 274 CG HIS A 19 3.461 -23.209 7.777 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.436 -22.898 8.656 1.00 0.00 N ATOM 276 CD2 HIS A 19 3.329 -24.548 7.506 1.00 0.00 C ATOM 277 CE1 HIS A 19 1.739 -24.026 8.881 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.240 -25.062 8.204 1.00 0.00 N ATOM 0 H HIS A 19 5.933 -22.083 9.619 1.00 0.00 H new ATOM 0 HA HIS A 19 6.111 -23.560 6.987 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.275 -21.231 7.808 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.309 -21.997 6.232 1.00 0.00 H new ATOM 0 HD1 HIS A 19 2.245 -21.981 9.059 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.972 -25.116 6.851 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.878 -24.086 9.531 1.00 0.00 H new ATOM 286 N ASP A 20 6.951 -21.244 5.924 1.00 0.00 N ATOM 287 CA ASP A 20 7.924 -20.201 5.485 1.00 0.00 C ATOM 288 C ASP A 20 7.258 -18.822 5.488 1.00 0.00 C ATOM 289 O ASP A 20 7.882 -17.819 5.201 1.00 0.00 O ATOM 290 CB ASP A 20 8.320 -20.603 4.064 1.00 0.00 C ATOM 291 CG ASP A 20 8.870 -22.031 4.073 1.00 0.00 C ATOM 292 OD1 ASP A 20 9.206 -22.509 5.144 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.945 -22.622 3.008 1.00 0.00 O ATOM 0 H ASP A 20 6.370 -21.635 5.182 1.00 0.00 H new ATOM 0 HA ASP A 20 8.788 -20.137 6.146 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.456 -20.539 3.402 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.071 -19.915 3.676 1.00 0.00 H new ATOM 298 N GLY A 21 5.995 -18.763 5.809 1.00 0.00 N ATOM 299 CA GLY A 21 5.290 -17.450 5.829 1.00 0.00 C ATOM 300 C GLY A 21 4.855 -17.119 7.259 1.00 0.00 C ATOM 301 O GLY A 21 4.168 -16.147 7.499 1.00 0.00 O ATOM 0 H GLY A 21 5.420 -19.568 6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.947 -16.668 5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.420 -17.483 5.173 1.00 0.00 H new ATOM 305 N ASP A 22 5.250 -17.921 8.211 1.00 0.00 N ATOM 306 CA ASP A 22 4.856 -17.648 9.624 1.00 0.00 C ATOM 307 C ASP A 22 5.995 -16.945 10.368 1.00 0.00 C ATOM 308 O ASP A 22 7.111 -16.877 9.892 1.00 0.00 O ATOM 309 CB ASP A 22 4.587 -19.026 10.231 1.00 0.00 C ATOM 310 CG ASP A 22 3.466 -19.715 9.450 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.210 -19.303 8.331 1.00 0.00 O ATOM 312 OD2 ASP A 22 2.883 -20.644 9.985 1.00 0.00 O ATOM 0 H ASP A 22 5.827 -18.751 8.073 1.00 0.00 H new ATOM 0 HA ASP A 22 3.986 -16.995 9.691 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.492 -19.632 10.200 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.306 -18.925 11.279 1.00 0.00 H new ATOM 317 N LEU A 23 5.722 -16.423 11.533 1.00 0.00 N ATOM 318 CA LEU A 23 6.788 -15.724 12.307 1.00 0.00 C ATOM 319 C LEU A 23 6.938 -16.361 13.693 1.00 0.00 C ATOM 320 O LEU A 23 5.980 -16.512 14.423 1.00 0.00 O ATOM 321 CB LEU A 23 6.305 -14.279 12.431 1.00 0.00 C ATOM 322 CG LEU A 23 7.427 -13.413 13.006 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.603 -13.388 12.029 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.912 -11.988 13.223 1.00 0.00 C ATOM 0 H LEU A 23 4.807 -16.450 11.982 1.00 0.00 H new ATOM 0 HA LEU A 23 7.761 -15.788 11.820 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.003 -13.900 11.454 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.428 -14.232 13.076 1.00 0.00 H new ATOM 0 HG LEU A 23 7.755 -13.829 13.959 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.403 -12.771 12.438 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.970 -14.403 11.875 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.276 -12.972 11.076 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.711 -11.371 13.633 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.583 -11.571 12.271 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.074 -12.006 13.920 1.00 0.00 H new ATOM 336 N GLY A 24 8.135 -16.736 14.058 1.00 0.00 N ATOM 337 CA GLY A 24 8.347 -17.362 15.394 1.00 0.00 C ATOM 338 C GLY A 24 8.991 -16.347 16.338 1.00 0.00 C ATOM 339 O GLY A 24 10.030 -16.595 16.918 1.00 0.00 O ATOM 0 H GLY A 24 8.975 -16.636 13.488 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.395 -17.702 15.803 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.985 -18.241 15.298 1.00 0.00 H new ATOM 343 N PHE A 25 8.385 -15.204 16.494 1.00 0.00 N ATOM 344 CA PHE A 25 8.954 -14.162 17.395 1.00 0.00 C ATOM 345 C PHE A 25 9.417 -14.777 18.718 1.00 0.00 C ATOM 346 O PHE A 25 9.140 -15.922 19.014 1.00 0.00 O ATOM 347 CB PHE A 25 7.801 -13.181 17.633 1.00 0.00 C ATOM 348 CG PHE A 25 6.587 -13.926 18.150 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.673 -14.494 17.252 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.374 -14.041 19.529 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.550 -15.179 17.734 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.248 -14.723 20.009 1.00 0.00 C ATOM 353 CZ PHE A 25 4.338 -15.294 19.112 1.00 0.00 C ATOM 0 H PHE A 25 7.513 -14.944 16.033 1.00 0.00 H new ATOM 0 HA PHE A 25 9.828 -13.678 16.959 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.103 -12.419 18.351 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.554 -12.665 16.705 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.835 -14.404 16.188 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.077 -13.604 20.223 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.848 -15.619 17.041 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.082 -14.808 21.073 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.473 -15.823 19.483 1.00 0.00 H new ATOM 363 N GLU A 26 10.123 -14.019 19.514 1.00 0.00 N ATOM 364 CA GLU A 26 10.610 -14.551 20.820 1.00 0.00 C ATOM 365 C GLU A 26 9.684 -14.100 21.954 1.00 0.00 C ATOM 366 O GLU A 26 8.746 -13.354 21.744 1.00 0.00 O ATOM 367 CB GLU A 26 12.005 -13.949 20.997 1.00 0.00 C ATOM 368 CG GLU A 26 12.936 -14.486 19.910 1.00 0.00 C ATOM 369 CD GLU A 26 14.357 -13.978 20.159 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.525 -13.163 21.052 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.254 -14.414 19.455 1.00 0.00 O ATOM 0 H GLU A 26 10.384 -13.053 19.316 1.00 0.00 H new ATOM 0 HA GLU A 26 10.630 -15.641 20.840 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.953 -12.862 20.941 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.398 -14.199 21.983 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.923 -15.576 19.911 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.590 -14.164 18.928 1.00 0.00 H new ATOM 378 N LYS A 27 9.943 -14.537 23.155 1.00 0.00 N ATOM 379 CA LYS A 27 9.080 -14.129 24.299 1.00 0.00 C ATOM 380 C LYS A 27 9.306 -12.652 24.632 1.00 0.00 C ATOM 381 O LYS A 27 10.421 -12.215 24.836 1.00 0.00 O ATOM 382 CB LYS A 27 9.520 -15.016 25.464 1.00 0.00 C ATOM 383 CG LYS A 27 8.824 -14.558 26.747 1.00 0.00 C ATOM 384 CD LYS A 27 9.206 -15.491 27.897 1.00 0.00 C ATOM 385 CE LYS A 27 8.203 -15.331 29.041 1.00 0.00 C ATOM 386 NZ LYS A 27 9.032 -14.985 30.230 1.00 0.00 N ATOM 0 H LYS A 27 10.715 -15.159 23.394 1.00 0.00 H new ATOM 0 HA LYS A 27 8.019 -14.245 24.078 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.273 -16.057 25.256 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.602 -14.964 25.586 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.113 -13.534 26.984 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.743 -14.560 26.607 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.218 -16.525 27.552 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.212 -15.261 28.247 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.477 -14.548 28.824 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.641 -16.250 29.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.416 -14.859 31.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.709 -15.752 30.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.551 -14.102 30.047 1.00 0.00 H new ATOM 400 N GLY A 28 8.255 -11.882 24.688 1.00 0.00 N ATOM 401 CA GLY A 28 8.407 -10.437 25.007 1.00 0.00 C ATOM 402 C GLY A 28 8.626 -9.649 23.715 1.00 0.00 C ATOM 403 O GLY A 28 8.641 -8.434 23.714 1.00 0.00 O ATOM 0 H GLY A 28 7.297 -12.192 24.526 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.518 -10.072 25.522 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.250 -10.290 25.683 1.00 0.00 H new ATOM 407 N GLU A 29 8.799 -10.327 22.613 1.00 0.00 N ATOM 408 CA GLU A 29 9.018 -9.607 21.327 1.00 0.00 C ATOM 409 C GLU A 29 7.761 -8.828 20.936 1.00 0.00 C ATOM 410 O GLU A 29 6.664 -9.350 20.958 1.00 0.00 O ATOM 411 CB GLU A 29 9.313 -10.701 20.300 1.00 0.00 C ATOM 412 CG GLU A 29 9.975 -10.078 19.070 1.00 0.00 C ATOM 413 CD GLU A 29 9.980 -11.092 17.924 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.739 -12.043 18.004 1.00 0.00 O ATOM 415 OE2 GLU A 29 9.226 -10.899 16.984 1.00 0.00 O ATOM 0 H GLU A 29 8.798 -11.345 22.548 1.00 0.00 H new ATOM 0 HA GLU A 29 9.831 -8.884 21.394 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.967 -11.457 20.735 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.390 -11.205 20.014 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.437 -9.178 18.771 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.995 -9.776 19.307 1.00 0.00 H new ATOM 422 N GLN A 30 7.911 -7.584 20.577 1.00 0.00 N ATOM 423 CA GLN A 30 6.724 -6.774 20.182 1.00 0.00 C ATOM 424 C GLN A 30 6.323 -7.105 18.743 1.00 0.00 C ATOM 425 O GLN A 30 7.153 -7.171 17.858 1.00 0.00 O ATOM 426 CB GLN A 30 7.180 -5.319 20.291 1.00 0.00 C ATOM 427 CG GLN A 30 7.453 -4.978 21.758 1.00 0.00 C ATOM 428 CD GLN A 30 7.907 -3.520 21.866 1.00 0.00 C ATOM 429 OE1 GLN A 30 8.403 -2.953 20.914 1.00 0.00 O ATOM 430 NE2 GLN A 30 7.757 -2.886 22.997 1.00 0.00 N ATOM 0 H GLN A 30 8.804 -7.092 20.540 1.00 0.00 H new ATOM 0 HA GLN A 30 5.857 -6.974 20.811 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.080 -5.164 19.697 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.414 -4.656 19.889 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.553 -5.135 22.353 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.220 -5.640 22.160 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.340 -3.362 23.797 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.056 -1.915 23.081 1.00 0.00 H new ATOM 439 N LEU A 31 5.059 -7.321 18.503 1.00 0.00 N ATOM 440 CA LEU A 31 4.617 -7.656 17.119 1.00 0.00 C ATOM 441 C LEU A 31 3.409 -6.803 16.721 1.00 0.00 C ATOM 442 O LEU A 31 2.630 -6.384 17.554 1.00 0.00 O ATOM 443 CB LEU A 31 4.232 -9.134 17.174 1.00 0.00 C ATOM 444 CG LEU A 31 5.442 -9.992 16.798 1.00 0.00 C ATOM 445 CD1 LEU A 31 6.511 -9.870 17.886 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.009 -11.454 16.668 1.00 0.00 C ATOM 0 H LEU A 31 4.316 -7.280 19.201 1.00 0.00 H new ATOM 0 HA LEU A 31 5.396 -7.462 16.382 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.886 -9.393 18.175 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.407 -9.331 16.490 1.00 0.00 H new ATOM 0 HG LEU A 31 5.851 -9.649 15.848 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.373 -10.481 17.619 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.819 -8.828 17.978 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.103 -10.214 18.837 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.870 -12.066 16.400 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.600 -11.798 17.618 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.247 -11.540 15.893 1.00 0.00 H new ATOM 458 N ARG A 32 3.248 -6.551 15.452 1.00 0.00 N ATOM 459 CA ARG A 32 2.091 -5.733 14.992 1.00 0.00 C ATOM 460 C ARG A 32 1.008 -6.646 14.409 1.00 0.00 C ATOM 461 O ARG A 32 1.288 -7.536 13.631 1.00 0.00 O ATOM 462 CB ARG A 32 2.663 -4.812 13.911 1.00 0.00 C ATOM 463 CG ARG A 32 1.526 -4.254 13.053 1.00 0.00 C ATOM 464 CD ARG A 32 2.064 -3.138 12.154 1.00 0.00 C ATOM 465 NE ARG A 32 2.428 -2.037 13.088 1.00 0.00 N ATOM 466 CZ ARG A 32 1.497 -1.410 13.755 1.00 0.00 C ATOM 467 NH1 ARG A 32 0.293 -1.314 13.262 1.00 0.00 N ATOM 468 NH2 ARG A 32 1.772 -0.880 14.915 1.00 0.00 N ATOM 0 H ARG A 32 3.869 -6.877 14.712 1.00 0.00 H new ATOM 0 HA ARG A 32 1.630 -5.167 15.802 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.218 -3.995 14.372 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.367 -5.362 13.286 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.092 -5.048 12.445 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.730 -3.870 13.691 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.929 -3.474 11.582 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.313 -2.813 11.434 1.00 0.00 H new ATOM 0 HE ARG A 32 3.406 -1.772 13.207 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.079 -1.729 12.355 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.434 -0.824 13.783 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.714 -0.956 15.300 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.045 -0.390 15.437 1.00 0.00 H new ATOM 482 N ILE A 33 -0.226 -6.433 14.778 1.00 0.00 N ATOM 483 CA ILE A 33 -1.320 -7.293 14.242 1.00 0.00 C ATOM 484 C ILE A 33 -1.853 -6.710 12.931 1.00 0.00 C ATOM 485 O ILE A 33 -2.051 -5.518 12.804 1.00 0.00 O ATOM 486 CB ILE A 33 -2.403 -7.276 15.320 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.787 -7.657 16.668 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.500 -8.281 14.958 1.00 0.00 C ATOM 489 CD1 ILE A 33 -2.901 -7.883 17.694 1.00 0.00 C ATOM 0 H ILE A 33 -0.523 -5.703 15.425 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.982 -8.306 14.024 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.833 -6.277 15.386 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.186 -8.560 16.563 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.118 -6.867 17.010 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.273 -8.269 15.727 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.939 -8.010 13.998 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.070 -9.280 14.891 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.462 -8.154 18.654 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.483 -6.968 17.807 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.552 -8.688 17.353 1.00 0.00 H new ATOM 501 N LEU A 34 -2.089 -7.543 11.954 1.00 0.00 N ATOM 502 CA LEU A 34 -2.610 -7.038 10.653 1.00 0.00 C ATOM 503 C LEU A 34 -3.934 -7.728 10.313 1.00 0.00 C ATOM 504 O LEU A 34 -4.784 -7.169 9.649 1.00 0.00 O ATOM 505 CB LEU A 34 -1.538 -7.403 9.626 1.00 0.00 C ATOM 506 CG LEU A 34 -0.256 -6.623 9.929 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.925 -7.593 10.009 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.003 -5.604 8.816 1.00 0.00 C ATOM 0 H LEU A 34 -1.943 -8.551 12.001 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.804 -5.966 10.674 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.340 -8.475 9.656 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.889 -7.171 8.620 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.365 -6.103 10.881 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.838 -7.038 10.225 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.746 -8.319 10.802 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.033 -8.114 9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.910 -5.049 9.032 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.105 -6.124 7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.843 -4.912 8.758 1.00 0.00 H new ATOM 520 N GLU A 35 -4.116 -8.939 10.765 1.00 0.00 N ATOM 521 CA GLU A 35 -5.386 -9.662 10.467 1.00 0.00 C ATOM 522 C GLU A 35 -5.911 -10.350 11.730 1.00 0.00 C ATOM 523 O GLU A 35 -5.152 -10.781 12.574 1.00 0.00 O ATOM 524 CB GLU A 35 -5.014 -10.696 9.405 1.00 0.00 C ATOM 525 CG GLU A 35 -4.520 -9.981 8.146 1.00 0.00 C ATOM 526 CD GLU A 35 -5.616 -9.047 7.628 1.00 0.00 C ATOM 527 OE1 GLU A 35 -6.757 -9.232 8.016 1.00 0.00 O ATOM 528 OE2 GLU A 35 -5.293 -8.163 6.850 1.00 0.00 O ATOM 0 H GLU A 35 -3.442 -9.459 11.327 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.173 -8.991 10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.239 -11.361 9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.878 -11.316 9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.617 -9.412 8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.257 -10.710 7.380 1.00 0.00 H new ATOM 535 N GLN A 36 -7.205 -10.456 11.865 1.00 0.00 N ATOM 536 CA GLN A 36 -7.777 -11.115 13.074 1.00 0.00 C ATOM 537 C GLN A 36 -8.943 -12.026 12.678 1.00 0.00 C ATOM 538 O GLN A 36 -10.047 -11.883 13.164 1.00 0.00 O ATOM 539 CB GLN A 36 -8.268 -9.968 13.957 1.00 0.00 C ATOM 540 CG GLN A 36 -7.084 -9.082 14.347 1.00 0.00 C ATOM 541 CD GLN A 36 -7.589 -7.874 15.138 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.735 -7.490 15.016 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.776 -7.256 15.950 1.00 0.00 N ATOM 0 H GLN A 36 -7.890 -10.115 11.191 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.047 -11.740 13.588 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.016 -9.380 13.425 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.750 -10.364 14.851 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.373 -9.651 14.946 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.555 -8.750 13.454 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.814 -7.579 16.052 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.103 -6.450 16.483 1.00 0.00 H new ATOM 552 N SER A 37 -8.706 -12.962 11.800 1.00 0.00 N ATOM 553 CA SER A 37 -9.801 -13.880 11.374 1.00 0.00 C ATOM 554 C SER A 37 -9.426 -15.331 11.684 1.00 0.00 C ATOM 555 O SER A 37 -8.350 -15.789 11.350 1.00 0.00 O ATOM 556 CB SER A 37 -9.932 -13.669 9.865 1.00 0.00 C ATOM 557 OG SER A 37 -8.784 -14.193 9.213 1.00 0.00 O ATOM 0 H SER A 37 -7.802 -13.131 11.359 1.00 0.00 H new ATOM 0 HA SER A 37 -10.736 -13.677 11.896 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.831 -14.162 9.495 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.037 -12.607 9.643 1.00 0.00 H new ATOM 0 HG SER A 37 -8.395 -14.908 9.759 1.00 0.00 H new ATOM 563 N GLY A 38 -10.303 -16.059 12.319 1.00 0.00 N ATOM 564 CA GLY A 38 -9.995 -17.479 12.648 1.00 0.00 C ATOM 565 C GLY A 38 -9.186 -17.538 13.945 1.00 0.00 C ATOM 566 O GLY A 38 -9.114 -16.579 14.687 1.00 0.00 O ATOM 0 H GLY A 38 -11.220 -15.732 12.624 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.919 -18.047 12.757 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.433 -17.938 11.835 1.00 0.00 H new ATOM 570 N GLU A 39 -8.574 -18.656 14.223 1.00 0.00 N ATOM 571 CA GLU A 39 -7.769 -18.775 15.472 1.00 0.00 C ATOM 572 C GLU A 39 -6.385 -18.153 15.270 1.00 0.00 C ATOM 573 O GLU A 39 -5.789 -17.626 16.189 1.00 0.00 O ATOM 574 CB GLU A 39 -7.649 -20.279 15.726 1.00 0.00 C ATOM 575 CG GLU A 39 -9.046 -20.887 15.861 1.00 0.00 C ATOM 576 CD GLU A 39 -8.926 -22.400 16.052 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.849 -22.923 15.823 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.915 -23.011 16.424 1.00 0.00 O ATOM 0 H GLU A 39 -8.596 -19.492 13.640 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.231 -18.256 16.312 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.111 -20.755 14.906 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.073 -20.460 16.633 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.568 -20.443 16.709 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.638 -20.667 14.972 1.00 0.00 H new ATOM 585 N TRP A 40 -5.869 -18.208 14.072 1.00 0.00 N ATOM 586 CA TRP A 40 -4.525 -17.618 13.811 1.00 0.00 C ATOM 587 C TRP A 40 -4.669 -16.200 13.252 1.00 0.00 C ATOM 588 O TRP A 40 -5.582 -15.910 12.503 1.00 0.00 O ATOM 589 CB TRP A 40 -3.883 -18.538 12.771 1.00 0.00 C ATOM 590 CG TRP A 40 -3.647 -19.885 13.374 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.453 -20.960 13.213 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.550 -20.319 14.227 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.919 -22.027 13.913 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.746 -21.681 14.555 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.414 -19.670 14.743 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.847 -22.376 15.366 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.508 -20.364 15.560 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.724 -21.714 15.870 1.00 0.00 C ATOM 0 H TRP A 40 -6.320 -18.636 13.263 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.925 -17.544 14.718 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.531 -18.627 11.899 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.941 -18.112 12.426 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.364 -20.981 12.633 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.340 -22.955 13.950 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.238 -18.631 14.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.018 -23.416 15.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.360 -19.855 15.952 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.022 -22.243 16.498 1.00 0.00 H new ATOM 609 N TRP A 41 -3.778 -15.316 13.607 1.00 0.00 N ATOM 610 CA TRP A 41 -3.869 -13.920 13.092 1.00 0.00 C ATOM 611 C TRP A 41 -2.577 -13.535 12.368 1.00 0.00 C ATOM 612 O TRP A 41 -1.527 -14.093 12.614 1.00 0.00 O ATOM 613 CB TRP A 41 -4.060 -13.051 14.335 1.00 0.00 C ATOM 614 CG TRP A 41 -5.404 -13.320 14.934 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.457 -13.852 14.274 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.856 -13.078 16.298 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.526 -13.954 15.146 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.205 -13.489 16.405 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.231 -12.549 17.441 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.910 -13.379 17.604 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -5.938 -12.435 18.650 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.275 -12.849 18.730 1.00 0.00 C ATOM 0 H TRP A 41 -2.992 -15.499 14.230 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.683 -13.799 12.377 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.277 -13.263 15.063 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.973 -11.997 14.071 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.463 -14.149 13.236 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.440 -14.327 14.890 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.201 -12.228 17.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.939 -13.701 17.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.449 -12.026 19.522 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.814 -12.758 19.662 1.00 0.00 H new ATOM 633 N LYS A 42 -2.646 -12.580 11.482 1.00 0.00 N ATOM 634 CA LYS A 42 -1.420 -12.154 10.748 1.00 0.00 C ATOM 635 C LYS A 42 -0.789 -10.950 11.451 1.00 0.00 C ATOM 636 O LYS A 42 -1.478 -10.088 11.961 1.00 0.00 O ATOM 637 CB LYS A 42 -1.903 -11.769 9.350 1.00 0.00 C ATOM 638 CG LYS A 42 -0.695 -11.582 8.429 1.00 0.00 C ATOM 639 CD LYS A 42 -1.146 -10.937 7.117 1.00 0.00 C ATOM 640 CE LYS A 42 -0.088 -11.181 6.039 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.841 -11.155 4.753 1.00 0.00 N ATOM 0 H LYS A 42 -3.498 -12.076 11.234 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.664 -12.938 10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.560 -12.543 8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.486 -10.849 9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.053 -10.956 8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.224 -12.545 8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.103 -11.355 6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.297 -9.867 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.684 -10.412 6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.412 -12.138 6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.184 -11.315 3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.564 -11.902 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.301 -10.229 4.639 1.00 0.00 H new ATOM 655 N ALA A 43 0.514 -10.882 11.485 1.00 0.00 N ATOM 656 CA ALA A 43 1.177 -9.730 12.161 1.00 0.00 C ATOM 657 C ALA A 43 2.601 -9.545 11.629 1.00 0.00 C ATOM 658 O ALA A 43 3.047 -10.265 10.757 1.00 0.00 O ATOM 659 CB ALA A 43 1.204 -10.106 13.642 1.00 0.00 C ATOM 0 H ALA A 43 1.146 -11.571 11.076 1.00 0.00 H new ATOM 0 HA ALA A 43 0.651 -8.792 11.985 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.678 -9.307 14.212 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.184 -10.251 13.999 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.769 -11.029 13.773 1.00 0.00 H new ATOM 665 N GLN A 44 3.315 -8.585 12.149 1.00 0.00 N ATOM 666 CA GLN A 44 4.709 -8.350 11.676 1.00 0.00 C ATOM 667 C GLN A 44 5.551 -7.742 12.801 1.00 0.00 C ATOM 668 O GLN A 44 5.032 -7.182 13.745 1.00 0.00 O ATOM 669 CB GLN A 44 4.573 -7.367 10.515 1.00 0.00 C ATOM 670 CG GLN A 44 3.928 -6.073 11.016 1.00 0.00 C ATOM 671 CD GLN A 44 3.497 -5.221 9.821 1.00 0.00 C ATOM 672 OE1 GLN A 44 2.683 -5.640 9.023 1.00 0.00 O ATOM 673 NE2 GLN A 44 4.013 -4.032 9.663 1.00 0.00 N ATOM 0 H GLN A 44 2.993 -7.952 12.882 1.00 0.00 H new ATOM 0 HA GLN A 44 5.204 -9.272 11.371 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.553 -7.156 10.087 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.966 -7.805 9.722 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.066 -6.303 11.642 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.633 -5.519 11.636 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.697 -3.680 10.333 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.732 -3.456 8.870 1.00 0.00 H new ATOM 682 N SER A 45 6.848 -7.847 12.707 1.00 0.00 N ATOM 683 CA SER A 45 7.722 -7.273 13.772 1.00 0.00 C ATOM 684 C SER A 45 8.229 -5.891 13.350 1.00 0.00 C ATOM 685 O SER A 45 8.960 -5.755 12.390 1.00 0.00 O ATOM 686 CB SER A 45 8.886 -8.257 13.899 1.00 0.00 C ATOM 687 OG SER A 45 9.528 -8.072 15.153 1.00 0.00 O ATOM 0 H SER A 45 7.341 -8.305 11.940 1.00 0.00 H new ATOM 0 HA SER A 45 7.194 -7.142 14.717 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.522 -9.281 13.812 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.597 -8.102 13.088 1.00 0.00 H new ATOM 0 HG SER A 45 10.273 -8.704 15.235 1.00 0.00 H new ATOM 693 N LEU A 46 7.846 -4.865 14.061 1.00 0.00 N ATOM 694 CA LEU A 46 8.307 -3.494 13.697 1.00 0.00 C ATOM 695 C LEU A 46 9.783 -3.314 14.062 1.00 0.00 C ATOM 696 O LEU A 46 10.367 -2.274 13.828 1.00 0.00 O ATOM 697 CB LEU A 46 7.431 -2.551 14.524 1.00 0.00 C ATOM 698 CG LEU A 46 5.957 -2.871 14.271 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.082 -1.878 15.037 1.00 0.00 C ATOM 700 CD2 LEU A 46 5.662 -2.763 12.773 1.00 0.00 C ATOM 0 H LEU A 46 7.235 -4.916 14.876 1.00 0.00 H new ATOM 0 HA LEU A 46 8.221 -3.300 12.628 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.661 -2.660 15.584 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.640 -1.515 14.257 1.00 0.00 H new ATOM 0 HG LEU A 46 5.740 -3.884 14.611 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.031 -2.105 14.857 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.293 -1.955 16.104 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.298 -0.865 14.697 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.612 -2.991 12.592 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.878 -1.751 12.432 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.286 -3.471 12.227 1.00 0.00 H new ATOM 712 N THR A 47 10.391 -4.318 14.631 1.00 0.00 N ATOM 713 CA THR A 47 11.829 -4.201 15.005 1.00 0.00 C ATOM 714 C THR A 47 12.711 -4.729 13.871 1.00 0.00 C ATOM 715 O THR A 47 13.834 -4.301 13.693 1.00 0.00 O ATOM 716 CB THR A 47 11.985 -5.065 16.257 1.00 0.00 C ATOM 717 OG1 THR A 47 10.918 -4.795 17.154 1.00 0.00 O ATOM 718 CG2 THR A 47 13.318 -4.747 16.936 1.00 0.00 C ATOM 0 H THR A 47 9.955 -5.213 14.853 1.00 0.00 H new ATOM 0 HA THR A 47 12.128 -3.169 15.186 1.00 0.00 H new ATOM 0 HB THR A 47 11.965 -6.118 15.976 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.016 -5.350 17.956 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.428 -5.363 17.828 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.136 -4.956 16.247 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.341 -3.694 17.217 1.00 0.00 H new ATOM 726 N THR A 48 12.210 -5.656 13.102 1.00 0.00 N ATOM 727 CA THR A 48 13.016 -6.212 11.979 1.00 0.00 C ATOM 728 C THR A 48 12.340 -5.899 10.641 1.00 0.00 C ATOM 729 O THR A 48 12.911 -6.094 9.585 1.00 0.00 O ATOM 730 CB THR A 48 13.049 -7.721 12.226 1.00 0.00 C ATOM 731 OG1 THR A 48 11.736 -8.249 12.097 1.00 0.00 O ATOM 732 CG2 THR A 48 13.578 -7.998 13.635 1.00 0.00 C ATOM 0 H THR A 48 11.276 -6.053 13.203 1.00 0.00 H new ATOM 0 HA THR A 48 14.018 -5.785 11.936 1.00 0.00 H new ATOM 0 HB THR A 48 13.704 -8.195 11.496 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.756 -9.216 12.253 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.601 -9.074 13.810 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.585 -7.593 13.732 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.925 -7.525 14.368 1.00 0.00 H new ATOM 740 N GLY A 49 11.129 -5.416 10.677 1.00 0.00 N ATOM 741 CA GLY A 49 10.418 -5.089 9.408 1.00 0.00 C ATOM 742 C GLY A 49 10.020 -6.384 8.697 1.00 0.00 C ATOM 743 O GLY A 49 10.141 -6.505 7.494 1.00 0.00 O ATOM 0 H GLY A 49 10.600 -5.233 11.530 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.532 -4.491 9.619 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.061 -4.490 8.763 1.00 0.00 H new ATOM 747 N GLN A 50 9.546 -7.354 9.430 1.00 0.00 N ATOM 748 CA GLN A 50 9.142 -8.640 8.792 1.00 0.00 C ATOM 749 C GLN A 50 7.684 -8.965 9.132 1.00 0.00 C ATOM 750 O GLN A 50 7.175 -8.574 10.163 1.00 0.00 O ATOM 751 CB GLN A 50 10.078 -9.690 9.393 1.00 0.00 C ATOM 752 CG GLN A 50 11.318 -9.832 8.508 1.00 0.00 C ATOM 753 CD GLN A 50 12.339 -10.735 9.202 1.00 0.00 C ATOM 754 OE1 GLN A 50 12.081 -11.255 10.269 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.497 -10.947 8.637 1.00 0.00 N ATOM 0 H GLN A 50 9.421 -7.312 10.441 1.00 0.00 H new ATOM 0 HA GLN A 50 9.214 -8.602 7.705 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.369 -9.398 10.402 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.564 -10.648 9.474 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.042 -10.253 7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.755 -8.852 8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.715 -10.511 7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.184 -11.549 9.092 1.00 0.00 H new ATOM 764 N GLU A 51 7.011 -9.679 8.271 1.00 0.00 N ATOM 765 CA GLU A 51 5.587 -10.030 8.544 1.00 0.00 C ATOM 766 C GLU A 51 5.407 -11.550 8.521 1.00 0.00 C ATOM 767 O GLU A 51 6.071 -12.252 7.786 1.00 0.00 O ATOM 768 CB GLU A 51 4.794 -9.379 7.410 1.00 0.00 C ATOM 769 CG GLU A 51 5.282 -7.942 7.207 1.00 0.00 C ATOM 770 CD GLU A 51 4.509 -7.300 6.053 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.950 -8.036 5.258 1.00 0.00 O ATOM 772 OE2 GLU A 51 4.489 -6.082 5.986 1.00 0.00 O ATOM 0 H GLU A 51 7.385 -10.034 7.391 1.00 0.00 H new ATOM 0 HA GLU A 51 5.255 -9.684 9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.918 -9.950 6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.730 -9.383 7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.138 -7.365 8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.350 -7.936 6.991 1.00 0.00 H new ATOM 779 N GLY A 52 4.514 -12.064 9.323 1.00 0.00 N ATOM 780 CA GLY A 52 4.297 -13.538 9.344 1.00 0.00 C ATOM 781 C GLY A 52 2.952 -13.854 10.001 1.00 0.00 C ATOM 782 O GLY A 52 1.999 -13.108 9.882 1.00 0.00 O ATOM 0 H GLY A 52 3.927 -11.528 9.963 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.318 -13.932 8.328 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.103 -14.026 9.892 1.00 0.00 H new ATOM 786 N PHE A 53 2.870 -14.954 10.698 1.00 0.00 N ATOM 787 CA PHE A 53 1.592 -15.324 11.368 1.00 0.00 C ATOM 788 C PHE A 53 1.843 -15.637 12.845 1.00 0.00 C ATOM 789 O PHE A 53 2.851 -16.212 13.204 1.00 0.00 O ATOM 790 CB PHE A 53 1.106 -16.573 10.630 1.00 0.00 C ATOM 791 CG PHE A 53 0.778 -16.217 9.199 1.00 0.00 C ATOM 792 CD1 PHE A 53 -0.372 -15.474 8.909 1.00 0.00 C ATOM 793 CD2 PHE A 53 1.625 -16.628 8.163 1.00 0.00 C ATOM 794 CE1 PHE A 53 -0.676 -15.143 7.583 1.00 0.00 C ATOM 795 CE2 PHE A 53 1.322 -16.297 6.838 1.00 0.00 C ATOM 796 CZ PHE A 53 0.172 -15.555 6.546 1.00 0.00 C ATOM 0 H PHE A 53 3.636 -15.614 10.833 1.00 0.00 H new ATOM 0 HA PHE A 53 0.858 -14.519 11.334 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.874 -17.346 10.657 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.225 -16.981 11.125 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.025 -15.156 9.708 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.513 -17.201 8.387 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.564 -14.570 7.359 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.976 -16.614 6.040 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.062 -15.300 5.523 1.00 0.00 H new ATOM 806 N ILE A 54 0.936 -15.260 13.704 1.00 0.00 N ATOM 807 CA ILE A 54 1.126 -15.535 15.156 1.00 0.00 C ATOM 808 C ILE A 54 -0.189 -16.002 15.783 1.00 0.00 C ATOM 809 O ILE A 54 -1.252 -15.548 15.407 1.00 0.00 O ATOM 810 CB ILE A 54 1.560 -14.198 15.757 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.440 -13.170 15.578 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.822 -13.706 15.046 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.267 -12.948 16.916 1.00 0.00 C ATOM 0 H ILE A 54 0.072 -14.774 13.463 1.00 0.00 H new ATOM 0 HA ILE A 54 1.859 -16.321 15.335 1.00 0.00 H new ATOM 0 HB ILE A 54 1.768 -14.327 16.819 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.851 -12.229 15.211 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.273 -13.520 14.831 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.132 -12.753 15.474 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.620 -14.438 15.173 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.614 -13.577 13.984 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.065 -12.216 16.789 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.691 -13.890 17.264 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.450 -12.580 17.650 1.00 0.00 H new ATOM 825 N PRO A 55 -0.071 -16.894 16.727 1.00 0.00 N ATOM 826 CA PRO A 55 -1.297 -17.399 17.395 1.00 0.00 C ATOM 827 C PRO A 55 -1.905 -16.303 18.273 1.00 0.00 C ATOM 828 O PRO A 55 -1.231 -15.382 18.691 1.00 0.00 O ATOM 829 CB PRO A 55 -0.808 -18.571 18.239 1.00 0.00 C ATOM 830 CG PRO A 55 0.636 -18.287 18.486 1.00 0.00 C ATOM 831 CD PRO A 55 1.137 -17.511 17.296 1.00 0.00 C ATOM 0 HA PRO A 55 -2.075 -17.698 16.692 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.363 -18.643 19.175 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.941 -19.518 17.716 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.766 -17.714 19.404 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.197 -19.214 18.607 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.867 -16.757 17.592 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.628 -18.164 16.574 1.00 0.00 H new ATOM 839 N PHE A 56 -3.176 -16.388 18.544 1.00 0.00 N ATOM 840 CA PHE A 56 -3.832 -15.343 19.382 1.00 0.00 C ATOM 841 C PHE A 56 -3.529 -15.561 20.870 1.00 0.00 C ATOM 842 O PHE A 56 -3.938 -14.785 21.709 1.00 0.00 O ATOM 843 CB PHE A 56 -5.329 -15.509 19.109 1.00 0.00 C ATOM 844 CG PHE A 56 -5.845 -16.730 19.836 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.743 -17.994 19.244 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.423 -16.596 21.104 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.221 -19.124 19.919 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.900 -17.726 21.779 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.799 -18.991 21.186 1.00 0.00 C ATOM 0 H PHE A 56 -3.791 -17.135 18.222 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.474 -14.342 19.140 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.870 -14.622 19.439 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.505 -15.610 18.038 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.296 -18.098 18.267 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.501 -15.621 21.562 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.143 -20.099 19.461 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.346 -17.622 22.757 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.167 -19.863 21.706 1.00 0.00 H new ATOM 859 N ASN A 57 -2.831 -16.611 21.209 1.00 0.00 N ATOM 860 CA ASN A 57 -2.530 -16.863 22.649 1.00 0.00 C ATOM 861 C ASN A 57 -1.109 -16.410 23.006 1.00 0.00 C ATOM 862 O ASN A 57 -0.820 -16.099 24.145 1.00 0.00 O ATOM 863 CB ASN A 57 -2.666 -18.376 22.820 1.00 0.00 C ATOM 864 CG ASN A 57 -2.762 -18.716 24.308 1.00 0.00 C ATOM 865 OD1 ASN A 57 -3.112 -17.877 25.113 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.464 -19.921 24.710 1.00 0.00 N ATOM 0 H ASN A 57 -2.458 -17.301 20.557 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.202 -16.308 23.304 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.553 -18.733 22.297 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.809 -18.881 22.375 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.525 -20.158 25.700 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.170 -20.626 24.034 1.00 0.00 H new ATOM 873 N PHE A 58 -0.216 -16.376 22.053 1.00 0.00 N ATOM 874 CA PHE A 58 1.180 -15.948 22.366 1.00 0.00 C ATOM 875 C PHE A 58 1.280 -14.421 22.385 1.00 0.00 C ATOM 876 O PHE A 58 2.307 -13.861 22.712 1.00 0.00 O ATOM 877 CB PHE A 58 2.045 -16.526 21.246 1.00 0.00 C ATOM 878 CG PHE A 58 2.188 -18.017 21.438 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.057 -18.841 21.407 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.455 -18.576 21.648 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.192 -20.223 21.587 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.590 -19.957 21.828 1.00 0.00 C ATOM 883 CZ PHE A 58 2.459 -20.781 21.797 1.00 0.00 C ATOM 0 H PHE A 58 -0.390 -16.624 21.079 1.00 0.00 H new ATOM 0 HA PHE A 58 1.500 -16.299 23.347 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.592 -16.315 20.277 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.027 -16.052 21.249 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.080 -18.411 21.244 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.328 -17.941 21.671 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.319 -20.858 21.564 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.567 -20.387 21.991 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.564 -21.847 21.935 1.00 0.00 H new ATOM 893 N VAL A 59 0.222 -13.741 22.039 1.00 0.00 N ATOM 894 CA VAL A 59 0.264 -12.251 22.041 1.00 0.00 C ATOM 895 C VAL A 59 -0.993 -11.688 22.709 1.00 0.00 C ATOM 896 O VAL A 59 -2.068 -12.245 22.600 1.00 0.00 O ATOM 897 CB VAL A 59 0.313 -11.852 20.566 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.616 -12.359 19.944 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.877 -12.469 19.830 1.00 0.00 C ATOM 0 H VAL A 59 -0.668 -14.151 21.756 1.00 0.00 H new ATOM 0 HA VAL A 59 1.119 -11.863 22.595 1.00 0.00 H new ATOM 0 HB VAL A 59 0.268 -10.766 20.482 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.652 -12.075 18.892 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.465 -11.919 20.468 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.661 -13.445 20.028 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.842 -12.184 18.778 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.833 -13.555 19.914 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.805 -12.108 20.273 1.00 0.00 H new ATOM 909 N ALA A 60 -0.868 -10.589 23.400 1.00 0.00 N ATOM 910 CA ALA A 60 -2.058 -9.993 24.073 1.00 0.00 C ATOM 911 C ALA A 60 -2.232 -8.533 23.646 1.00 0.00 C ATOM 912 O ALA A 60 -1.273 -7.838 23.373 1.00 0.00 O ATOM 913 CB ALA A 60 -1.752 -10.082 25.568 1.00 0.00 C ATOM 0 H ALA A 60 0.005 -10.078 23.528 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.982 -10.511 23.814 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.583 -9.662 26.135 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.611 -11.126 25.849 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.843 -9.522 25.787 1.00 0.00 H new