USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 441 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 ASN : amide:sc= -4.45! C(o=-4.4!,f=-6.2!) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0.0595 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -99:sc= -0.484 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot -32:sc= 0.501 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -0.188 F(o=-0.89,f=-0.19) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.2) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 77 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.7) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 173:sc= -3.7 (180deg=-3.93) USER MOD Single : A 94 HIS : no HE2:sc= -4.03! C(o=-4!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -13.677 -9.638 -1.032 1.00 0.00 N ATOM 123 CA VAL A 12 -12.284 -9.986 -1.259 1.00 0.00 C ATOM 124 C VAL A 12 -12.054 -11.443 -0.852 1.00 0.00 C ATOM 125 O VAL A 12 -12.534 -11.882 0.192 1.00 0.00 O ATOM 126 CB VAL A 12 -11.372 -9.006 -0.518 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.901 -9.389 -0.691 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.623 -7.569 -0.978 1.00 0.00 C ATOM 0 HA VAL A 12 -12.037 -9.902 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.610 -9.064 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.274 -8.677 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.736 -10.390 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.643 -9.374 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.962 -6.893 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.426 -7.490 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.660 -7.299 -0.779 1.00 0.00 H new ATOM 138 N PRO A 13 -11.300 -12.170 -1.719 1.00 0.00 N ATOM 139 CA PRO A 13 -11.000 -13.568 -1.459 1.00 0.00 C ATOM 140 C PRO A 13 -9.939 -13.707 -0.365 1.00 0.00 C ATOM 141 O PRO A 13 -9.553 -12.720 0.260 1.00 0.00 O ATOM 142 CB PRO A 13 -10.549 -14.129 -2.798 1.00 0.00 C ATOM 143 CG PRO A 13 -10.169 -12.926 -3.647 1.00 0.00 C ATOM 144 CD PRO A 13 -10.714 -11.683 -2.964 1.00 0.00 C ATOM 0 HA PRO A 13 -11.861 -14.119 -1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.701 -14.803 -2.674 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.346 -14.704 -3.269 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.086 -12.860 -3.752 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.582 -13.022 -4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.923 -10.958 -2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.459 -11.185 -3.584 1.00 0.00 H new ATOM 152 N ALA A 14 -9.497 -14.941 -0.168 1.00 0.00 N ATOM 153 CA ALA A 14 -8.489 -15.222 0.840 1.00 0.00 C ATOM 154 C ALA A 14 -7.158 -15.532 0.151 1.00 0.00 C ATOM 155 O ALA A 14 -6.192 -15.921 0.805 1.00 0.00 O ATOM 156 CB ALA A 14 -8.965 -16.370 1.732 1.00 0.00 C ATOM 0 H ALA A 14 -9.818 -15.757 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.334 -14.354 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.209 -16.581 2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.898 -16.089 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.128 -17.260 1.124 1.00 0.00 H new ATOM 162 N ASP A 15 -7.151 -15.348 -1.162 1.00 0.00 N ATOM 163 CA ASP A 15 -5.955 -15.604 -1.946 1.00 0.00 C ATOM 164 C ASP A 15 -5.366 -14.273 -2.418 1.00 0.00 C ATOM 165 O ASP A 15 -4.180 -14.193 -2.735 1.00 0.00 O ATOM 166 CB ASP A 15 -6.278 -16.443 -3.184 1.00 0.00 C ATOM 167 CG ASP A 15 -5.089 -17.200 -3.780 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.306 -17.750 -2.976 1.00 0.00 O ATOM 169 OD2 ASP A 15 -4.991 -17.212 -5.026 1.00 0.00 O ATOM 0 H ASP A 15 -7.954 -15.025 -1.702 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.248 -16.146 -1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.054 -17.163 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.694 -15.788 -3.950 1.00 0.00 H new ATOM 174 N MET A 16 -6.222 -13.262 -2.450 1.00 0.00 N ATOM 175 CA MET A 16 -5.801 -11.939 -2.878 1.00 0.00 C ATOM 176 C MET A 16 -5.653 -10.997 -1.681 1.00 0.00 C ATOM 177 O MET A 16 -6.048 -11.336 -0.567 1.00 0.00 O ATOM 178 CB MET A 16 -6.830 -11.366 -3.855 1.00 0.00 C ATOM 179 CG MET A 16 -6.873 -12.184 -5.147 1.00 0.00 C ATOM 180 SD MET A 16 -7.392 -11.151 -6.507 1.00 0.00 S ATOM 181 CE MET A 16 -5.803 -10.582 -7.088 1.00 0.00 C ATOM 0 H MET A 16 -7.205 -13.333 -2.187 1.00 0.00 H new ATOM 0 HA MET A 16 -4.832 -12.028 -3.369 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.816 -11.362 -3.390 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.582 -10.330 -4.084 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.889 -12.604 -5.354 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.560 -13.022 -5.034 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.944 -9.920 -7.942 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.296 -10.041 -6.289 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.198 -11.437 -7.388 1.00 0.00 H new ATOM 191 N ILE A 17 -5.084 -9.831 -1.952 1.00 0.00 N ATOM 192 CA ILE A 17 -4.879 -8.838 -0.912 1.00 0.00 C ATOM 193 C ILE A 17 -5.502 -7.511 -1.350 1.00 0.00 C ATOM 194 O ILE A 17 -5.069 -6.913 -2.334 1.00 0.00 O ATOM 195 CB ILE A 17 -3.395 -8.733 -0.556 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.854 -10.074 -0.059 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.152 -7.607 0.452 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.417 -10.297 -0.536 1.00 0.00 C ATOM 0 H ILE A 17 -4.759 -9.552 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.382 -9.139 0.007 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.843 -8.480 -1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.888 -10.103 1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.490 -10.883 -0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.089 -7.553 0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.477 -6.659 0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.717 -7.806 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.057 -11.258 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.390 -10.292 -1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.779 -9.500 -0.154 1.00 0.00 H new ATOM 210 N ASN A 18 -6.509 -7.090 -0.599 1.00 0.00 N ATOM 211 CA ASN A 18 -7.196 -5.845 -0.898 1.00 0.00 C ATOM 212 C ASN A 18 -6.328 -4.668 -0.448 1.00 0.00 C ATOM 213 O ASN A 18 -5.874 -4.628 0.694 1.00 0.00 O ATOM 214 CB ASN A 18 -8.530 -5.760 -0.154 1.00 0.00 C ATOM 215 CG ASN A 18 -9.608 -5.122 -1.032 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.665 -5.323 -2.234 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.458 -4.345 -0.367 1.00 0.00 N ATOM 0 H ASN A 18 -6.866 -7.589 0.216 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.379 -5.810 -1.972 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.846 -6.758 0.148 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.405 -5.175 0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.214 -3.875 -0.864 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.353 -4.220 0.640 1.00 0.00 H new ATOM 224 N LEU A 19 -6.124 -3.739 -1.370 1.00 0.00 N ATOM 225 CA LEU A 19 -5.318 -2.564 -1.083 1.00 0.00 C ATOM 226 C LEU A 19 -6.186 -1.311 -1.216 1.00 0.00 C ATOM 227 O LEU A 19 -6.970 -1.191 -2.156 1.00 0.00 O ATOM 228 CB LEU A 19 -4.068 -2.543 -1.965 1.00 0.00 C ATOM 229 CG LEU A 19 -2.867 -3.334 -1.444 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.023 -2.485 -0.491 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.313 -4.648 -0.799 1.00 0.00 C ATOM 0 H LEU A 19 -6.503 -3.776 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.954 -2.593 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.335 -2.931 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.763 -1.506 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.234 -3.591 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.176 -3.071 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.659 -1.602 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.633 -2.176 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.440 -5.191 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.980 -4.435 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.838 -5.256 -1.536 1.00 0.00 H new ATOM 243 N ARG A 20 -6.017 -0.409 -0.260 1.00 0.00 N ATOM 244 CA ARG A 20 -6.775 0.831 -0.259 1.00 0.00 C ATOM 245 C ARG A 20 -5.937 1.967 -0.849 1.00 0.00 C ATOM 246 O ARG A 20 -4.989 2.434 -0.220 1.00 0.00 O ATOM 247 CB ARG A 20 -7.209 1.210 1.158 1.00 0.00 C ATOM 248 CG ARG A 20 -8.582 1.885 1.150 1.00 0.00 C ATOM 249 CD ARG A 20 -9.025 2.245 2.569 1.00 0.00 C ATOM 250 NE ARG A 20 -10.428 1.825 2.783 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.076 1.937 3.951 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.451 2.456 5.017 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.349 1.530 4.052 1.00 0.00 N ATOM 0 H ARG A 20 -5.367 -0.512 0.519 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.664 0.676 -0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.243 0.317 1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.473 1.881 1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.545 2.786 0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.315 1.220 0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.376 1.757 3.296 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.930 3.319 2.727 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.933 1.425 1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.482 2.766 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.944 2.541 5.906 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.824 1.135 3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.843 1.615 4.941 1.00 0.00 H new ATOM 267 N LEU A 21 -6.316 2.377 -2.050 1.00 0.00 N ATOM 268 CA LEU A 21 -5.611 3.449 -2.732 1.00 0.00 C ATOM 269 C LEU A 21 -6.256 4.789 -2.371 1.00 0.00 C ATOM 270 O LEU A 21 -7.354 5.097 -2.833 1.00 0.00 O ATOM 271 CB LEU A 21 -5.553 3.180 -4.237 1.00 0.00 C ATOM 272 CG LEU A 21 -4.626 2.047 -4.681 1.00 0.00 C ATOM 273 CD1 LEU A 21 -3.157 2.448 -4.523 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.949 0.750 -3.937 1.00 0.00 C ATOM 0 H LEU A 21 -7.102 1.986 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.574 3.494 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.561 2.955 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.240 4.096 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.798 1.861 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.519 1.625 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.952 3.327 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.953 2.677 -3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.275 -0.039 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.823 0.904 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.979 0.459 -4.143 1.00 0.00 H new ATOM 286 N ILE A 22 -5.547 5.548 -1.549 1.00 0.00 N ATOM 287 CA ILE A 22 -6.037 6.847 -1.121 1.00 0.00 C ATOM 288 C ILE A 22 -5.573 7.915 -2.114 1.00 0.00 C ATOM 289 O ILE A 22 -4.385 8.011 -2.418 1.00 0.00 O ATOM 290 CB ILE A 22 -5.619 7.128 0.324 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.062 5.997 1.253 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.138 8.490 0.790 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.733 6.323 2.711 1.00 0.00 C ATOM 0 H ILE A 22 -4.637 5.288 -1.168 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.127 6.862 -1.122 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.530 7.168 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.134 5.833 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.568 5.070 0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.827 8.665 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.731 9.273 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.226 8.504 0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.059 5.502 3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.657 6.462 2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.248 7.238 3.005 1.00 0.00 H new ATOM 416 N GLU A 30 -10.617 0.627 -3.673 1.00 0.00 N ATOM 417 CA GLU A 30 -10.162 -0.687 -3.252 1.00 0.00 C ATOM 418 C GLU A 30 -9.771 -1.528 -4.469 1.00 0.00 C ATOM 419 O GLU A 30 -10.559 -1.683 -5.400 1.00 0.00 O ATOM 420 CB GLU A 30 -11.229 -1.395 -2.416 1.00 0.00 C ATOM 421 CG GLU A 30 -11.367 -0.745 -1.038 1.00 0.00 C ATOM 422 CD GLU A 30 -12.420 -1.466 -0.194 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.304 -2.100 -0.810 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.317 -1.368 1.048 1.00 0.00 O ATOM 0 HA GLU A 30 -9.280 -0.561 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.186 -1.360 -2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.967 -2.447 -2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.406 -0.767 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.643 0.303 -1.153 1.00 0.00 H new ATOM 431 N PHE A 31 -8.553 -2.049 -4.422 1.00 0.00 N ATOM 432 CA PHE A 31 -8.048 -2.870 -5.509 1.00 0.00 C ATOM 433 C PHE A 31 -7.741 -4.289 -5.026 1.00 0.00 C ATOM 434 O PHE A 31 -8.035 -4.638 -3.884 1.00 0.00 O ATOM 435 CB PHE A 31 -6.752 -2.219 -5.997 1.00 0.00 C ATOM 436 CG PHE A 31 -6.965 -1.106 -7.026 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.189 -1.420 -8.330 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.928 0.196 -6.636 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.386 -0.387 -9.285 1.00 0.00 C ATOM 440 CE2 PHE A 31 -7.125 1.229 -7.591 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.350 0.915 -8.895 1.00 0.00 C ATOM 0 H PHE A 31 -7.902 -1.918 -3.648 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.793 -2.937 -6.302 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.217 -1.810 -5.140 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.114 -2.987 -6.434 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.217 -2.454 -8.639 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.749 0.445 -5.600 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.564 -0.636 -10.321 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.096 2.263 -7.282 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.500 1.700 -9.621 1.00 0.00 H new ATOM 451 N LEU A 32 -7.154 -5.070 -5.922 1.00 0.00 N ATOM 452 CA LEU A 32 -6.804 -6.443 -5.602 1.00 0.00 C ATOM 453 C LEU A 32 -5.400 -6.744 -6.131 1.00 0.00 C ATOM 454 O LEU A 32 -5.081 -6.417 -7.273 1.00 0.00 O ATOM 455 CB LEU A 32 -7.876 -7.404 -6.120 1.00 0.00 C ATOM 456 CG LEU A 32 -9.152 -7.500 -5.282 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.388 -7.618 -6.176 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.061 -8.649 -4.275 1.00 0.00 C ATOM 0 H LEU A 32 -6.912 -4.778 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.775 -6.587 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.150 -7.100 -7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.438 -8.399 -6.194 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.255 -6.578 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.281 -7.685 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.457 -6.740 -6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.307 -8.513 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.981 -8.695 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.921 -9.590 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.216 -8.481 -3.607 1.00 0.00 H new ATOM 470 N PHE A 33 -4.600 -7.364 -5.277 1.00 0.00 N ATOM 471 CA PHE A 33 -3.238 -7.712 -5.644 1.00 0.00 C ATOM 472 C PHE A 33 -2.850 -9.079 -5.078 1.00 0.00 C ATOM 473 O PHE A 33 -3.488 -9.575 -4.151 1.00 0.00 O ATOM 474 CB PHE A 33 -2.324 -6.645 -5.039 1.00 0.00 C ATOM 475 CG PHE A 33 -2.559 -5.238 -5.593 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.275 -4.963 -6.895 1.00 0.00 C ATOM 477 CD2 PHE A 33 -3.052 -4.262 -4.784 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.493 -3.658 -7.409 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.270 -2.956 -5.298 1.00 0.00 C ATOM 480 CZ PHE A 33 -2.986 -2.682 -6.600 1.00 0.00 C ATOM 0 H PHE A 33 -4.869 -7.635 -4.331 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.146 -7.758 -6.729 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.468 -6.628 -3.959 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.286 -6.926 -5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.884 -5.738 -7.537 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.278 -4.480 -3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.267 -3.440 -8.442 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.661 -2.181 -4.656 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.152 -1.689 -6.991 1.00 0.00 H new ATOM 490 N SER A 34 -1.805 -9.650 -5.659 1.00 0.00 N ATOM 491 CA SER A 34 -1.324 -10.951 -5.224 1.00 0.00 C ATOM 492 C SER A 34 -0.041 -10.787 -4.406 1.00 0.00 C ATOM 493 O SER A 34 0.590 -9.732 -4.440 1.00 0.00 O ATOM 494 CB SER A 34 -1.078 -11.875 -6.418 1.00 0.00 C ATOM 495 OG SER A 34 0.195 -12.512 -6.347 1.00 0.00 O ATOM 0 H SER A 34 -1.278 -9.236 -6.428 1.00 0.00 H new ATOM 0 HA SER A 34 -2.091 -11.408 -4.598 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.861 -12.633 -6.457 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.144 -11.300 -7.341 1.00 0.00 H new ATOM 0 HG SER A 34 0.833 -12.033 -6.917 1.00 0.00 H new ATOM 501 N PRO A 35 0.315 -11.875 -3.672 1.00 0.00 N ATOM 502 CA PRO A 35 1.511 -11.863 -2.847 1.00 0.00 C ATOM 503 C PRO A 35 2.771 -11.987 -3.706 1.00 0.00 C ATOM 504 O PRO A 35 3.883 -11.812 -3.212 1.00 0.00 O ATOM 505 CB PRO A 35 1.334 -13.022 -1.881 1.00 0.00 C ATOM 506 CG PRO A 35 0.275 -13.921 -2.497 1.00 0.00 C ATOM 507 CD PRO A 35 -0.409 -13.142 -3.608 1.00 0.00 C ATOM 0 HA PRO A 35 1.639 -10.926 -2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.271 -13.561 -1.742 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.022 -12.667 -0.899 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.729 -14.830 -2.892 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.450 -14.228 -1.744 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.357 -13.676 -4.557 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.465 -12.984 -3.389 1.00 0.00 H new ATOM 515 N ASN A 36 2.554 -12.288 -4.978 1.00 0.00 N ATOM 516 CA ASN A 36 3.658 -12.438 -5.911 1.00 0.00 C ATOM 517 C ASN A 36 3.837 -11.137 -6.696 1.00 0.00 C ATOM 518 O ASN A 36 4.808 -10.981 -7.434 1.00 0.00 O ATOM 519 CB ASN A 36 3.384 -13.561 -6.913 1.00 0.00 C ATOM 520 CG ASN A 36 3.796 -14.919 -6.340 1.00 0.00 C ATOM 521 OD1 ASN A 36 4.881 -15.421 -6.584 1.00 0.00 O ATOM 522 ND2 ASN A 36 2.873 -15.483 -5.568 1.00 0.00 N ATOM 0 H ASN A 36 1.630 -12.432 -5.385 1.00 0.00 H new ATOM 0 HA ASN A 36 4.554 -12.677 -5.338 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.324 -13.576 -7.167 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.931 -13.371 -7.837 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.052 -16.391 -5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.985 -15.008 -5.405 1.00 0.00 H new ATOM 529 N ASP A 37 2.884 -10.235 -6.510 1.00 0.00 N ATOM 530 CA ASP A 37 2.924 -8.953 -7.192 1.00 0.00 C ATOM 531 C ASP A 37 3.864 -8.009 -6.439 1.00 0.00 C ATOM 532 O ASP A 37 3.875 -7.989 -5.209 1.00 0.00 O ATOM 533 CB ASP A 37 1.537 -8.306 -7.231 1.00 0.00 C ATOM 534 CG ASP A 37 0.590 -8.873 -8.290 1.00 0.00 C ATOM 535 OD1 ASP A 37 1.080 -9.660 -9.128 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.604 -8.506 -8.238 1.00 0.00 O ATOM 0 H ASP A 37 2.080 -10.367 -5.897 1.00 0.00 H new ATOM 0 HA ASP A 37 3.271 -9.124 -8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.072 -8.419 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.656 -7.237 -7.406 1.00 0.00 H new ATOM 541 N SER A 38 4.630 -7.250 -7.209 1.00 0.00 N ATOM 542 CA SER A 38 5.571 -6.306 -6.631 1.00 0.00 C ATOM 543 C SER A 38 4.956 -4.906 -6.599 1.00 0.00 C ATOM 544 O SER A 38 4.006 -4.625 -7.328 1.00 0.00 O ATOM 545 CB SER A 38 6.886 -6.291 -7.413 1.00 0.00 C ATOM 546 OG SER A 38 6.676 -6.081 -8.807 1.00 0.00 O ATOM 0 H SER A 38 4.618 -7.270 -8.229 1.00 0.00 H new ATOM 0 HA SER A 38 5.790 -6.622 -5.611 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.532 -5.505 -7.021 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.408 -7.236 -7.263 1.00 0.00 H new ATOM 0 HG SER A 38 5.820 -6.477 -9.072 1.00 0.00 H new ATOM 552 N ALA A 39 5.522 -4.065 -5.747 1.00 0.00 N ATOM 553 CA ALA A 39 5.041 -2.701 -5.610 1.00 0.00 C ATOM 554 C ALA A 39 4.758 -2.123 -6.998 1.00 0.00 C ATOM 555 O ALA A 39 3.710 -1.519 -7.222 1.00 0.00 O ATOM 556 CB ALA A 39 6.066 -1.873 -4.832 1.00 0.00 C ATOM 0 H ALA A 39 6.310 -4.302 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 39 4.108 -2.678 -5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.705 -0.850 -4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.210 -2.308 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.015 -1.871 -5.369 1.00 0.00 H new ATOM 562 N SER A 40 5.711 -2.329 -7.895 1.00 0.00 N ATOM 563 CA SER A 40 5.578 -1.836 -9.256 1.00 0.00 C ATOM 564 C SER A 40 4.216 -2.237 -9.826 1.00 0.00 C ATOM 565 O SER A 40 3.383 -1.379 -10.114 1.00 0.00 O ATOM 566 CB SER A 40 6.703 -2.365 -10.146 1.00 0.00 C ATOM 567 OG SER A 40 7.989 -1.979 -9.668 1.00 0.00 O ATOM 0 H SER A 40 6.579 -2.831 -7.706 1.00 0.00 H new ATOM 0 HA SER A 40 5.650 -0.749 -9.235 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.646 -3.452 -10.195 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.567 -1.993 -11.162 1.00 0.00 H new ATOM 0 HG SER A 40 8.680 -2.338 -10.263 1.00 0.00 H new ATOM 573 N ASP A 41 4.032 -3.541 -9.973 1.00 0.00 N ATOM 574 CA ASP A 41 2.786 -4.066 -10.504 1.00 0.00 C ATOM 575 C ASP A 41 1.612 -3.305 -9.885 1.00 0.00 C ATOM 576 O ASP A 41 0.676 -2.923 -10.586 1.00 0.00 O ATOM 577 CB ASP A 41 2.623 -5.548 -10.161 1.00 0.00 C ATOM 578 CG ASP A 41 3.553 -6.494 -10.922 1.00 0.00 C ATOM 579 OD1 ASP A 41 3.177 -6.873 -12.053 1.00 0.00 O ATOM 580 OD2 ASP A 41 4.620 -6.817 -10.357 1.00 0.00 O ATOM 0 H ASP A 41 4.726 -4.250 -9.733 1.00 0.00 H new ATOM 0 HA ASP A 41 2.804 -3.946 -11.587 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.792 -5.679 -9.092 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.592 -5.840 -10.359 1.00 0.00 H new ATOM 585 N ILE A 42 1.700 -3.108 -8.578 1.00 0.00 N ATOM 586 CA ILE A 42 0.656 -2.400 -7.856 1.00 0.00 C ATOM 587 C ILE A 42 0.552 -0.970 -8.392 1.00 0.00 C ATOM 588 O ILE A 42 -0.374 -0.649 -9.137 1.00 0.00 O ATOM 589 CB ILE A 42 0.902 -2.474 -6.348 1.00 0.00 C ATOM 590 CG1 ILE A 42 1.011 -3.927 -5.881 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.172 -1.704 -5.578 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.172 -4.004 -4.362 1.00 0.00 C ATOM 0 H ILE A 42 2.478 -3.426 -8.000 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.311 -2.875 -8.022 1.00 0.00 H new ATOM 0 HB ILE A 42 1.857 -1.994 -6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.121 -4.478 -6.184 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.862 -4.405 -6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.027 -1.773 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.158 -0.658 -5.883 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.151 -2.132 -5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.247 -5.048 -4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.076 -3.473 -4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.308 -3.546 -3.881 1.00 0.00 H new ATOM 604 N ALA A 43 1.513 -0.151 -7.993 1.00 0.00 N ATOM 605 CA ALA A 43 1.540 1.237 -8.424 1.00 0.00 C ATOM 606 C ALA A 43 1.146 1.315 -9.900 1.00 0.00 C ATOM 607 O ALA A 43 0.216 2.037 -10.260 1.00 0.00 O ATOM 608 CB ALA A 43 2.927 1.826 -8.159 1.00 0.00 C ATOM 0 H ALA A 43 2.279 -0.421 -7.376 1.00 0.00 H new ATOM 0 HA ALA A 43 0.820 1.829 -7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.948 2.867 -8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.147 1.772 -7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.675 1.259 -8.713 1.00 0.00 H new ATOM 614 N LYS A 44 1.871 0.563 -10.715 1.00 0.00 N ATOM 615 CA LYS A 44 1.608 0.539 -12.144 1.00 0.00 C ATOM 616 C LYS A 44 0.134 0.202 -12.381 1.00 0.00 C ATOM 617 O LYS A 44 -0.584 0.965 -13.026 1.00 0.00 O ATOM 618 CB LYS A 44 2.577 -0.410 -12.851 1.00 0.00 C ATOM 619 CG LYS A 44 4.010 0.124 -12.791 1.00 0.00 C ATOM 620 CD LYS A 44 4.729 -0.083 -14.125 1.00 0.00 C ATOM 621 CE LYS A 44 5.226 -1.523 -14.262 1.00 0.00 C ATOM 622 NZ LYS A 44 6.127 -1.652 -15.429 1.00 0.00 N ATOM 0 H LYS A 44 2.641 -0.034 -10.413 1.00 0.00 H new ATOM 0 HA LYS A 44 1.785 1.522 -12.581 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.532 -1.394 -12.385 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.275 -0.535 -13.891 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.996 1.185 -12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.558 -0.383 -11.996 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.053 0.152 -14.947 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.571 0.605 -14.199 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.752 -1.820 -13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.377 -2.198 -14.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.455 -2.636 -15.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.614 -1.388 -16.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.946 -1.023 -15.307 1.00 0.00 H new ATOM 636 N HIS A 45 -0.272 -0.940 -11.847 1.00 0.00 N ATOM 637 CA HIS A 45 -1.647 -1.387 -11.993 1.00 0.00 C ATOM 638 C HIS A 45 -2.597 -0.217 -11.732 1.00 0.00 C ATOM 639 O HIS A 45 -3.367 0.169 -12.610 1.00 0.00 O ATOM 640 CB HIS A 45 -1.925 -2.590 -11.089 1.00 0.00 C ATOM 641 CG HIS A 45 -3.372 -3.023 -11.072 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.490 -2.379 -10.630 1.00 0.00 N flip ATOM 643 CD2 HIS A 45 -3.792 -4.252 -11.550 1.00 0.00 C flip ATOM 644 CE1 HIS A 45 -5.536 -3.171 -10.828 1.00 0.00 C flip ATOM 645 NE2 HIS A 45 -5.106 -4.333 -11.398 1.00 0.00 N flip ATOM 0 H HIS A 45 0.327 -1.569 -11.313 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.817 -1.727 -13.015 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.309 -3.428 -11.416 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.617 -2.346 -10.072 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.157 -5.015 -11.975 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.560 -2.934 -10.579 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.693 -5.125 -11.661 1.00 0.00 H new ATOM 997 N LEU A 67 5.451 3.807 -3.285 1.00 0.00 N ATOM 998 CA LEU A 67 4.244 3.440 -2.563 1.00 0.00 C ATOM 999 C LEU A 67 4.482 3.609 -1.061 1.00 0.00 C ATOM 1000 O LEU A 67 5.429 3.047 -0.512 1.00 0.00 O ATOM 1001 CB LEU A 67 3.790 2.034 -2.959 1.00 0.00 C ATOM 1002 CG LEU A 67 3.328 1.130 -1.814 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.038 1.659 -1.185 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.185 -0.319 -2.282 1.00 0.00 C ATOM 0 HA LEU A 67 3.422 4.103 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.973 2.126 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.613 1.540 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 67 4.094 1.143 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.731 0.998 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.209 2.661 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.253 1.695 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.856 -0.940 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.451 -0.371 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.147 -0.681 -2.646 1.00 0.00 H new ATOM 1016 N ILE A 68 3.607 4.385 -0.440 1.00 0.00 N ATOM 1017 CA ILE A 68 3.710 4.635 0.988 1.00 0.00 C ATOM 1018 C ILE A 68 2.780 3.679 1.737 1.00 0.00 C ATOM 1019 O ILE A 68 1.663 3.418 1.292 1.00 0.00 O ATOM 1020 CB ILE A 68 3.450 6.112 1.293 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.600 6.986 0.789 1.00 0.00 C ATOM 1022 CG2 ILE A 68 3.180 6.324 2.785 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.236 7.659 -0.536 1.00 0.00 C ATOM 0 H ILE A 68 2.823 4.849 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 68 4.723 4.434 1.338 1.00 0.00 H new ATOM 0 HB ILE A 68 2.553 6.419 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.838 7.746 1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.494 6.377 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.998 7.382 2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.305 5.746 3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.045 5.995 3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.070 8.275 -0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.022 6.896 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.356 8.286 -0.396 1.00 0.00 H new ATOM 1035 N TYR A 69 3.274 3.184 2.863 1.00 0.00 N ATOM 1036 CA TYR A 69 2.500 2.263 3.678 1.00 0.00 C ATOM 1037 C TYR A 69 2.647 2.591 5.165 1.00 0.00 C ATOM 1038 O TYR A 69 3.753 2.569 5.703 1.00 0.00 O ATOM 1039 CB TYR A 69 3.085 0.874 3.414 1.00 0.00 C ATOM 1040 CG TYR A 69 2.356 -0.257 4.143 1.00 0.00 C ATOM 1041 CD1 TYR A 69 1.056 -0.076 4.571 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.997 -1.457 4.372 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.370 -1.140 5.257 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.311 -2.521 5.058 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.031 -2.310 5.467 1.00 0.00 C ATOM 1046 OH TYR A 69 0.383 -3.315 6.114 1.00 0.00 O ATOM 0 H TYR A 69 4.200 3.403 3.230 1.00 0.00 H new ATOM 0 HA TYR A 69 1.441 2.325 3.428 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.059 0.678 2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.133 0.869 3.714 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.554 0.863 4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.014 -1.598 4.037 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.647 -1.012 5.597 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.802 -3.465 5.244 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.578 -3.255 5.933 1.00 0.00 H new ATOM 1056 N GLN A 70 1.516 2.887 5.787 1.00 0.00 N ATOM 1057 CA GLN A 70 1.504 3.220 7.202 1.00 0.00 C ATOM 1058 C GLN A 70 2.384 4.443 7.467 1.00 0.00 C ATOM 1059 O GLN A 70 2.810 4.673 8.598 1.00 0.00 O ATOM 1060 CB GLN A 70 1.953 2.027 8.049 1.00 0.00 C ATOM 1061 CG GLN A 70 0.749 1.244 8.575 1.00 0.00 C ATOM 1062 CD GLN A 70 0.824 1.078 10.094 1.00 0.00 C ATOM 1063 OE1 GLN A 70 1.870 0.814 10.665 1.00 0.00 O ATOM 1064 NE2 GLN A 70 -0.339 1.248 10.715 1.00 0.00 N ATOM 0 H GLN A 70 0.601 2.903 5.337 1.00 0.00 H new ATOM 0 HA GLN A 70 0.481 3.464 7.490 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.586 1.370 7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.557 2.377 8.886 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.172 1.763 8.307 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.712 0.264 8.100 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.177 1.468 10.177 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.393 1.159 11.730 1.00 0.00 H new ATOM 1073 N GLY A 71 2.631 5.196 6.405 1.00 0.00 N ATOM 1074 CA GLY A 71 3.452 6.390 6.508 1.00 0.00 C ATOM 1075 C GLY A 71 4.827 6.166 5.876 1.00 0.00 C ATOM 1076 O GLY A 71 5.409 7.087 5.305 1.00 0.00 O ATOM 0 H GLY A 71 2.277 5.002 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.952 7.223 6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.570 6.665 7.556 1.00 0.00 H new ATOM 1080 N ARG A 72 5.307 4.937 5.999 1.00 0.00 N ATOM 1081 CA ARG A 72 6.603 4.580 5.447 1.00 0.00 C ATOM 1082 C ARG A 72 6.485 4.319 3.944 1.00 0.00 C ATOM 1083 O ARG A 72 5.396 4.404 3.379 1.00 0.00 O ATOM 1084 CB ARG A 72 7.169 3.335 6.132 1.00 0.00 C ATOM 1085 CG ARG A 72 8.049 3.717 7.324 1.00 0.00 C ATOM 1086 CD ARG A 72 9.032 2.594 7.662 1.00 0.00 C ATOM 1087 NE ARG A 72 9.933 3.023 8.755 1.00 0.00 N ATOM 1088 CZ ARG A 72 10.906 2.258 9.269 1.00 0.00 C ATOM 1089 NH1 ARG A 72 11.110 1.023 8.793 1.00 0.00 N ATOM 1090 NH2 ARG A 72 11.675 2.730 10.260 1.00 0.00 N ATOM 0 H ARG A 72 4.821 4.176 6.473 1.00 0.00 H new ATOM 0 HA ARG A 72 7.280 5.416 5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.351 2.697 6.469 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.752 2.755 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.599 4.630 7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.422 3.929 8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.486 1.699 7.960 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.616 2.333 6.780 1.00 0.00 H new ATOM 0 HE ARG A 72 9.806 3.959 9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.525 0.664 8.039 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.851 0.441 9.185 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.519 3.671 10.622 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.416 2.149 10.652 1.00 0.00 H new ATOM 1104 N PHE A 73 7.622 4.006 3.340 1.00 0.00 N ATOM 1105 CA PHE A 73 7.661 3.732 1.913 1.00 0.00 C ATOM 1106 C PHE A 73 8.144 2.306 1.642 1.00 0.00 C ATOM 1107 O PHE A 73 9.119 1.853 2.240 1.00 0.00 O ATOM 1108 CB PHE A 73 8.651 4.721 1.294 1.00 0.00 C ATOM 1109 CG PHE A 73 8.235 6.186 1.431 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.289 6.798 2.644 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.811 6.878 0.339 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.902 8.159 2.771 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.424 8.238 0.466 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.478 8.850 1.679 1.00 0.00 C ATOM 0 H PHE A 73 8.523 3.936 3.813 1.00 0.00 H new ATOM 0 HA PHE A 73 6.663 3.836 1.487 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.625 4.585 1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.771 4.485 0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.626 6.249 3.511 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.769 6.393 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.944 8.645 3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.087 8.787 -0.401 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.184 9.885 1.775 1.00 0.00 H new ATOM 1124 N LEU A 74 7.441 1.638 0.740 1.00 0.00 N ATOM 1125 CA LEU A 74 7.786 0.273 0.382 1.00 0.00 C ATOM 1126 C LEU A 74 8.693 0.288 -0.850 1.00 0.00 C ATOM 1127 O LEU A 74 8.562 1.155 -1.712 1.00 0.00 O ATOM 1128 CB LEU A 74 6.522 -0.571 0.205 1.00 0.00 C ATOM 1129 CG LEU A 74 5.697 -0.815 1.470 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.455 -1.653 1.161 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.553 -1.443 2.571 1.00 0.00 C ATOM 0 H LEU A 74 6.633 2.017 0.246 1.00 0.00 H new ATOM 0 HA LEU A 74 8.348 -0.202 1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.884 -0.084 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.809 -1.537 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 74 5.351 0.149 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.886 -1.812 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.834 -1.129 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.759 -2.616 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.942 -1.606 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.950 -2.397 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.378 -0.774 2.816 1.00 0.00 H new ATOM 1143 N HIS A 75 9.594 -0.683 -0.894 1.00 0.00 N ATOM 1144 CA HIS A 75 10.522 -0.793 -2.007 1.00 0.00 C ATOM 1145 C HIS A 75 9.763 -1.205 -3.270 1.00 0.00 C ATOM 1146 O HIS A 75 8.648 -1.719 -3.189 1.00 0.00 O ATOM 1147 CB HIS A 75 11.668 -1.748 -1.665 1.00 0.00 C ATOM 1148 CG HIS A 75 13.029 -1.252 -2.093 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.645 -1.667 -3.261 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.884 -0.372 -1.498 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.818 -1.058 -3.354 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.965 -0.257 -2.260 1.00 0.00 N ATOM 0 H HIS A 75 9.701 -1.400 -0.177 1.00 0.00 H new ATOM 0 HA HIS A 75 10.980 0.177 -2.201 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.677 -1.918 -0.588 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.478 -2.711 -2.138 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.711 0.144 -0.565 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.532 -1.175 -4.155 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.773 0.333 -2.060 1.00 0.00 H new ATOM 1160 N GLY A 76 10.398 -0.965 -4.408 1.00 0.00 N ATOM 1161 CA GLY A 76 9.797 -1.304 -5.686 1.00 0.00 C ATOM 1162 C GLY A 76 9.961 -2.795 -5.990 1.00 0.00 C ATOM 1163 O GLY A 76 9.268 -3.336 -6.850 1.00 0.00 O ATOM 0 H GLY A 76 11.323 -0.540 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.738 -1.046 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.260 -0.715 -6.478 1.00 0.00 H new ATOM 1167 N ASN A 77 10.882 -3.416 -5.268 1.00 0.00 N ATOM 1168 CA ASN A 77 11.146 -4.833 -5.450 1.00 0.00 C ATOM 1169 C ASN A 77 10.330 -5.634 -4.434 1.00 0.00 C ATOM 1170 O ASN A 77 10.148 -6.840 -4.591 1.00 0.00 O ATOM 1171 CB ASN A 77 12.625 -5.151 -5.225 1.00 0.00 C ATOM 1172 CG ASN A 77 13.216 -5.891 -6.427 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.546 -6.640 -7.118 1.00 0.00 O ATOM 1174 ND2 ASN A 77 14.505 -5.641 -6.636 1.00 0.00 N ATOM 0 H ASN A 77 11.455 -2.964 -4.556 1.00 0.00 H new ATOM 0 HA ASN A 77 10.872 -5.099 -6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.177 -4.227 -5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.737 -5.759 -4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.992 -6.087 -7.413 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.007 -5.003 -6.019 1.00 0.00 H new ATOM 1181 N VAL A 78 9.860 -4.931 -3.414 1.00 0.00 N ATOM 1182 CA VAL A 78 9.068 -5.561 -2.372 1.00 0.00 C ATOM 1183 C VAL A 78 7.841 -6.225 -3.001 1.00 0.00 C ATOM 1184 O VAL A 78 7.371 -5.798 -4.054 1.00 0.00 O ATOM 1185 CB VAL A 78 8.706 -4.535 -1.296 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.487 -4.990 -0.492 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.898 -4.260 -0.377 1.00 0.00 C ATOM 0 H VAL A 78 10.013 -3.931 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 78 9.643 -6.343 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 78 8.447 -3.602 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.251 -4.243 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.634 -5.110 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.705 -5.942 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.614 -3.528 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.202 -5.186 0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.729 -3.871 -0.965 1.00 0.00 H new ATOM 1197 N THR A 79 7.358 -7.259 -2.328 1.00 0.00 N ATOM 1198 CA THR A 79 6.195 -7.987 -2.808 1.00 0.00 C ATOM 1199 C THR A 79 5.270 -8.341 -1.643 1.00 0.00 C ATOM 1200 O THR A 79 5.732 -8.769 -0.586 1.00 0.00 O ATOM 1201 CB THR A 79 6.689 -9.208 -3.585 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.402 -9.972 -2.615 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.749 -8.850 -4.629 1.00 0.00 C ATOM 0 H THR A 79 7.750 -7.610 -1.454 1.00 0.00 H new ATOM 0 HA THR A 79 5.596 -7.376 -3.483 1.00 0.00 H new ATOM 0 HB THR A 79 5.844 -9.690 -4.077 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.756 -10.784 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.065 -9.753 -5.151 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.330 -8.144 -5.346 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.609 -8.398 -4.134 1.00 0.00 H new ATOM 1211 N LEU A 80 3.979 -8.150 -1.875 1.00 0.00 N ATOM 1212 CA LEU A 80 2.984 -8.444 -0.857 1.00 0.00 C ATOM 1213 C LEU A 80 3.370 -9.734 -0.131 1.00 0.00 C ATOM 1214 O LEU A 80 3.152 -9.862 1.073 1.00 0.00 O ATOM 1215 CB LEU A 80 1.584 -8.480 -1.472 1.00 0.00 C ATOM 1216 CG LEU A 80 0.910 -7.123 -1.685 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.429 -7.284 -2.408 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.760 -6.371 -0.361 1.00 0.00 C ATOM 0 H LEU A 80 3.599 -7.795 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 80 2.958 -7.652 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.644 -8.988 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.943 -9.085 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 80 1.552 -6.519 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.887 -6.305 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.264 -7.749 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.091 -7.913 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.278 -5.410 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.151 -6.960 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.744 -6.207 0.078 1.00 0.00 H new ATOM 1230 N GLY A 81 3.938 -10.657 -0.893 1.00 0.00 N ATOM 1231 CA GLY A 81 4.356 -11.933 -0.336 1.00 0.00 C ATOM 1232 C GLY A 81 5.384 -11.734 0.780 1.00 0.00 C ATOM 1233 O GLY A 81 5.231 -12.277 1.873 1.00 0.00 O ATOM 0 H GLY A 81 4.119 -10.547 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.488 -12.465 0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.784 -12.555 -1.123 1.00 0.00 H new ATOM 1237 N ALA A 82 6.407 -10.953 0.466 1.00 0.00 N ATOM 1238 CA ALA A 82 7.459 -10.675 1.429 1.00 0.00 C ATOM 1239 C ALA A 82 6.872 -9.900 2.611 1.00 0.00 C ATOM 1240 O ALA A 82 7.451 -9.882 3.696 1.00 0.00 O ATOM 1241 CB ALA A 82 8.594 -9.915 0.740 1.00 0.00 C ATOM 0 H ALA A 82 6.530 -10.504 -0.442 1.00 0.00 H new ATOM 0 HA ALA A 82 7.877 -11.603 1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.383 -9.706 1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.996 -10.520 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.212 -8.976 0.339 1.00 0.00 H new ATOM 1247 N LEU A 83 5.729 -9.279 2.360 1.00 0.00 N ATOM 1248 CA LEU A 83 5.056 -8.504 3.389 1.00 0.00 C ATOM 1249 C LEU A 83 4.135 -9.424 4.193 1.00 0.00 C ATOM 1250 O LEU A 83 3.464 -8.978 5.122 1.00 0.00 O ATOM 1251 CB LEU A 83 4.340 -7.301 2.773 1.00 0.00 C ATOM 1252 CG LEU A 83 5.220 -6.325 1.990 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.384 -5.191 1.394 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.363 -5.798 2.861 1.00 0.00 C ATOM 0 H LEU A 83 5.252 -9.297 1.459 1.00 0.00 H new ATOM 0 HA LEU A 83 5.781 -8.088 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.560 -7.670 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.844 -6.751 3.572 1.00 0.00 H new ATOM 0 HG LEU A 83 5.672 -6.864 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.033 -4.511 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.636 -5.606 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.886 -4.646 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.974 -5.106 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.951 -5.280 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.979 -6.632 3.196 1.00 0.00 H new ATOM 1266 N LYS A 84 4.131 -10.691 3.805 1.00 0.00 N ATOM 1267 CA LYS A 84 3.303 -11.677 4.478 1.00 0.00 C ATOM 1268 C LYS A 84 2.025 -11.004 4.982 1.00 0.00 C ATOM 1269 O LYS A 84 1.620 -11.211 6.125 1.00 0.00 O ATOM 1270 CB LYS A 84 4.099 -12.386 5.575 1.00 0.00 C ATOM 1271 CG LYS A 84 4.790 -11.375 6.492 1.00 0.00 C ATOM 1272 CD LYS A 84 3.804 -10.789 7.505 1.00 0.00 C ATOM 1273 CE LYS A 84 4.540 -10.217 8.718 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.577 -9.829 9.773 1.00 0.00 N ATOM 0 H LYS A 84 4.688 -11.057 3.033 1.00 0.00 H new ATOM 0 HA LYS A 84 2.999 -12.459 3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.433 -13.018 6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.844 -13.041 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.613 -11.859 7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.222 -10.573 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.213 -10.005 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.107 -11.562 7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.238 -10.957 9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.129 -9.350 8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.093 -9.443 10.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.927 -9.107 9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.033 -10.664 10.071 1.00 0.00 H new ATOM 1288 N LEU A 85 1.425 -10.213 4.105 1.00 0.00 N ATOM 1289 CA LEU A 85 0.201 -9.509 4.447 1.00 0.00 C ATOM 1290 C LEU A 85 -0.952 -10.511 4.535 1.00 0.00 C ATOM 1291 O LEU A 85 -0.942 -11.535 3.853 1.00 0.00 O ATOM 1292 CB LEU A 85 -0.053 -8.365 3.463 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.061 -6.956 4.059 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.033 -6.802 5.117 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.048 -5.896 2.962 1.00 0.00 C ATOM 0 H LEU A 85 1.764 -10.044 3.158 1.00 0.00 H new ATOM 0 HA LEU A 85 0.293 -9.041 5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.710 -8.405 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.013 -8.537 2.976 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.017 -6.802 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.005 -5.791 5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.867 -7.521 5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.007 -6.983 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.040 -4.904 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.978 -6.037 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.796 -5.991 2.279 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.943 -10.173 5.403 1.00 0.00 N ATOM 1308 CA PRO A 86 -3.100 -11.032 5.589 1.00 0.00 C ATOM 1309 C PRO A 86 -4.058 -10.926 4.401 1.00 0.00 C ATOM 1310 O PRO A 86 -4.306 -9.833 3.894 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.724 -10.573 6.897 1.00 0.00 C ATOM 1312 CG PRO A 86 -3.171 -9.182 7.158 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.988 -8.969 6.227 1.00 0.00 C ATOM 0 HA PRO A 86 -2.836 -12.088 5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.811 -10.554 6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.470 -11.253 7.710 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.937 -8.427 6.981 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.861 -9.083 8.198 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.121 -8.076 5.616 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.062 -8.838 6.787 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.570 -12.077 3.990 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.495 -12.128 2.871 1.00 0.00 C ATOM 1323 C PHE A 87 -6.908 -11.737 3.309 1.00 0.00 C ATOM 1324 O PHE A 87 -7.183 -11.626 4.502 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.511 -13.573 2.369 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.162 -14.063 1.838 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.309 -13.189 1.239 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.816 -15.372 1.964 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -2.057 -13.643 0.746 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.564 -15.826 1.471 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.711 -14.952 0.873 1.00 0.00 C ATOM 0 H PHE A 87 -4.361 -12.982 4.412 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.178 -11.431 2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.828 -14.226 3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.256 -13.664 1.578 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.584 -12.149 1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.493 -16.066 2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.380 -12.949 0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.289 -16.866 1.571 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.759 -15.297 0.499 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.766 -11.538 2.319 1.00 0.00 N ATOM 1342 CA GLY A 88 -9.143 -11.162 2.587 1.00 0.00 C ATOM 1343 C GLY A 88 -9.211 -9.999 3.578 1.00 0.00 C ATOM 1344 O GLY A 88 -10.111 -9.943 4.415 1.00 0.00 O ATOM 0 H GLY A 88 -7.534 -11.630 1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.634 -10.880 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.686 -12.018 2.988 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.247 -9.098 3.452 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.186 -7.939 4.326 1.00 0.00 C ATOM 1350 C LYS A 89 -8.032 -6.674 3.479 1.00 0.00 C ATOM 1351 O LYS A 89 -7.963 -6.749 2.253 1.00 0.00 O ATOM 1352 CB LYS A 89 -7.084 -8.116 5.373 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.578 -8.954 6.553 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.662 -8.112 7.828 1.00 0.00 C ATOM 1355 CE LYS A 89 -6.541 -8.479 8.802 1.00 0.00 C ATOM 1356 NZ LYS A 89 -6.627 -7.652 10.026 1.00 0.00 N ATOM 0 H LYS A 89 -7.502 -9.148 2.757 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.115 -7.836 4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.219 -8.598 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.755 -7.140 5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.559 -9.370 6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.904 -9.796 6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.596 -7.054 7.574 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.629 -8.266 8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.610 -9.535 9.064 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.573 -8.332 8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.859 -7.914 10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.539 -6.647 9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.544 -7.813 10.490 1.00 0.00 H new ATOM 1370 N THR A 90 -7.984 -5.543 4.166 1.00 0.00 N ATOM 1371 CA THR A 90 -7.841 -4.263 3.493 1.00 0.00 C ATOM 1372 C THR A 90 -6.662 -3.483 4.077 1.00 0.00 C ATOM 1373 O THR A 90 -6.635 -3.195 5.273 1.00 0.00 O ATOM 1374 CB THR A 90 -9.174 -3.521 3.599 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.090 -4.349 2.887 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.176 -2.206 2.817 1.00 0.00 C ATOM 0 H THR A 90 -8.042 -5.486 5.183 1.00 0.00 H new ATOM 0 HA THR A 90 -7.611 -4.395 2.436 1.00 0.00 H new ATOM 0 HB THR A 90 -9.395 -3.320 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.982 -3.943 2.907 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.145 -1.720 2.926 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.396 -1.551 3.205 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.988 -2.409 1.763 1.00 0.00 H new ATOM 1384 N THR A 91 -5.716 -3.161 3.206 1.00 0.00 N ATOM 1385 CA THR A 91 -4.538 -2.419 3.621 1.00 0.00 C ATOM 1386 C THR A 91 -4.658 -0.952 3.205 1.00 0.00 C ATOM 1387 O THR A 91 -5.307 -0.636 2.209 1.00 0.00 O ATOM 1388 CB THR A 91 -3.309 -3.118 3.035 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.063 -4.197 3.932 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.047 -2.259 3.131 1.00 0.00 C ATOM 0 H THR A 91 -5.742 -3.401 2.215 1.00 0.00 H new ATOM 0 HA THR A 91 -4.438 -2.409 4.706 1.00 0.00 H new ATOM 0 HB THR A 91 -3.498 -3.371 1.992 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.283 -4.705 3.626 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.204 -2.801 2.702 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.197 -1.329 2.583 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.839 -2.034 4.177 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.023 -0.094 3.990 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.051 1.333 3.716 1.00 0.00 C ATOM 1400 C VAL A 92 -2.688 1.771 3.177 1.00 0.00 C ATOM 1401 O VAL A 92 -1.658 1.503 3.792 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.471 2.099 4.973 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.369 3.610 4.754 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -5.883 1.703 5.410 1.00 0.00 C ATOM 0 H VAL A 92 -3.486 -0.359 4.816 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.792 1.560 2.950 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.784 1.829 5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.673 4.131 5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.340 3.874 4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.022 3.903 3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.157 2.262 6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.588 1.930 4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.911 0.635 5.626 1.00 0.00 H new ATOM 1414 N MET A 93 -2.727 2.438 2.033 1.00 0.00 N ATOM 1415 CA MET A 93 -1.508 2.916 1.404 1.00 0.00 C ATOM 1416 C MET A 93 -1.766 4.198 0.610 1.00 0.00 C ATOM 1417 O MET A 93 -2.873 4.417 0.121 1.00 0.00 O ATOM 1418 CB MET A 93 -0.960 1.837 0.467 1.00 0.00 C ATOM 1419 CG MET A 93 -0.177 0.779 1.247 1.00 0.00 C ATOM 1420 SD MET A 93 0.286 -0.561 0.163 1.00 0.00 S ATOM 1421 CE MET A 93 1.169 -1.600 1.315 1.00 0.00 C ATOM 0 H MET A 93 -3.584 2.659 1.525 1.00 0.00 H new ATOM 0 HA MET A 93 -0.781 3.135 2.186 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.783 1.364 -0.069 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.313 2.295 -0.282 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.714 1.226 1.687 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.783 0.399 2.070 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.422 -2.544 0.833 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.083 -1.097 1.631 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.542 -1.794 2.185 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.726 5.012 0.507 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.827 6.267 -0.219 1.00 0.00 C ATOM 1433 C HIS A 94 -0.037 6.169 -1.526 1.00 0.00 C ATOM 1434 O HIS A 94 1.018 5.538 -1.572 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.380 7.439 0.657 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.448 7.946 1.596 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -1.370 9.176 2.227 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.619 7.378 2.004 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -2.450 9.330 2.978 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.223 8.214 2.839 1.00 0.00 N ATOM 0 H HIS A 94 0.191 4.827 0.914 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.868 6.459 -0.478 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.487 7.132 1.241 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.058 8.258 0.014 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -0.610 9.849 2.130 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.992 6.411 1.699 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -2.679 10.188 3.593 1.00 0.00 H new