USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=9 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= -3.43! C(o=-4.1!,f=-5.5!) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= -0.671 USER MOD Single : A 16 MET CE :methyl -139:sc= 0 (180deg=-0.0922) USER MOD Single : A 34 SER OG : rot 180:sc= -0.342 USER MOD Single : A 36 ASN : amide:sc=-0.000437 X(o=-0.00044,f=-0.053) USER MOD Single : A 38 SER OG : rot 150:sc= -0.193 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 : no HD1:sc= -1.25 K(o=-1.2,f=-1.9) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.373 K(o=-0.37,f=-3.1!) 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 -156:sc= -1.1 (180deg=-1.42) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -13.573 -9.672 -0.459 1.00 0.00 N ATOM 123 CA VAL A 12 -12.199 -9.987 -0.811 1.00 0.00 C ATOM 124 C VAL A 12 -11.920 -11.457 -0.492 1.00 0.00 C ATOM 125 O VAL A 12 -12.313 -11.953 0.563 1.00 0.00 O ATOM 126 CB VAL A 12 -11.243 -9.028 -0.097 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.787 -9.351 -0.439 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.576 -7.573 -0.431 1.00 0.00 C ATOM 0 HA VAL A 12 -12.037 -9.850 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.372 -9.162 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.128 -8.655 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.557 -10.370 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.637 -9.258 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.882 -6.912 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.489 -7.417 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.595 -7.351 -0.114 1.00 0.00 H new ATOM 138 N PRO A 13 -11.225 -12.130 -1.448 1.00 0.00 N ATOM 139 CA PRO A 13 -10.889 -13.534 -1.280 1.00 0.00 C ATOM 140 C PRO A 13 -9.746 -13.707 -0.278 1.00 0.00 C ATOM 141 O PRO A 13 -9.293 -12.737 0.327 1.00 0.00 O ATOM 142 CB PRO A 13 -10.536 -14.024 -2.675 1.00 0.00 C ATOM 143 CG PRO A 13 -10.237 -12.777 -3.491 1.00 0.00 C ATOM 144 CD PRO A 13 -10.744 -11.576 -2.710 1.00 0.00 C ATOM 0 HA PRO A 13 -11.711 -14.117 -0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.673 -14.690 -2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.360 -14.588 -3.111 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.166 -12.689 -3.674 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.724 -12.832 -4.465 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.950 -10.847 -2.545 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.542 -11.063 -3.247 1.00 0.00 H new ATOM 152 N ALA A 14 -9.311 -14.951 -0.134 1.00 0.00 N ATOM 153 CA ALA A 14 -8.229 -15.264 0.784 1.00 0.00 C ATOM 154 C ALA A 14 -6.952 -15.536 -0.013 1.00 0.00 C ATOM 155 O ALA A 14 -5.930 -15.914 0.556 1.00 0.00 O ATOM 156 CB ALA A 14 -8.632 -16.450 1.663 1.00 0.00 C ATOM 0 H ALA A 14 -9.688 -15.754 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.031 -14.421 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.820 -16.685 2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.527 -16.195 2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.836 -17.316 1.034 1.00 0.00 H new ATOM 162 N ASP A 15 -7.053 -15.332 -1.319 1.00 0.00 N ATOM 163 CA ASP A 15 -5.919 -15.551 -2.200 1.00 0.00 C ATOM 164 C ASP A 15 -5.355 -14.200 -2.643 1.00 0.00 C ATOM 165 O ASP A 15 -4.188 -14.104 -3.020 1.00 0.00 O ATOM 166 CB ASP A 15 -6.336 -16.323 -3.453 1.00 0.00 C ATOM 167 CG ASP A 15 -5.257 -17.235 -4.040 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.509 -17.823 -3.229 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.205 -17.325 -5.285 1.00 0.00 O ATOM 0 H ASP A 15 -7.903 -15.018 -1.787 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.173 -16.128 -1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.211 -16.928 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.641 -15.608 -4.217 1.00 0.00 H new ATOM 174 N MET A 16 -6.209 -13.189 -2.582 1.00 0.00 N ATOM 175 CA MET A 16 -5.811 -11.847 -2.972 1.00 0.00 C ATOM 176 C MET A 16 -5.695 -10.933 -1.751 1.00 0.00 C ATOM 177 O MET A 16 -6.171 -11.273 -0.669 1.00 0.00 O ATOM 178 CB MET A 16 -6.841 -11.271 -3.946 1.00 0.00 C ATOM 179 CG MET A 16 -6.928 -12.118 -5.217 1.00 0.00 C ATOM 180 SD MET A 16 -7.389 -11.093 -6.603 1.00 0.00 S ATOM 181 CE MET A 16 -5.779 -10.498 -7.097 1.00 0.00 C ATOM 0 H MET A 16 -7.176 -13.272 -2.268 1.00 0.00 H new ATOM 0 HA MET A 16 -4.835 -11.903 -3.454 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.818 -11.230 -3.465 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.569 -10.248 -4.205 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.968 -12.597 -5.411 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.660 -12.914 -5.084 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.846 -9.442 -7.358 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.076 -10.625 -6.274 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.431 -11.064 -7.961 1.00 0.00 H new ATOM 191 N ILE A 17 -5.058 -9.791 -1.965 1.00 0.00 N ATOM 192 CA ILE A 17 -4.874 -8.825 -0.896 1.00 0.00 C ATOM 193 C ILE A 17 -5.492 -7.488 -1.309 1.00 0.00 C ATOM 194 O ILE A 17 -5.067 -6.881 -2.292 1.00 0.00 O ATOM 195 CB ILE A 17 -3.396 -8.727 -0.512 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.868 -10.074 -0.013 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.167 -7.608 0.507 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.460 -10.343 -0.548 1.00 0.00 C ATOM 0 H ILE A 17 -4.663 -9.513 -2.863 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.393 -9.151 0.005 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.827 -8.470 -1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.855 -10.082 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.540 -10.872 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.109 -7.560 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.480 -6.656 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.749 -7.810 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.108 -11.306 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.482 -10.358 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.786 -9.556 -0.209 1.00 0.00 H new ATOM 210 N ASN A 18 -6.484 -7.067 -0.539 1.00 0.00 N ATOM 211 CA ASN A 18 -7.165 -5.813 -0.813 1.00 0.00 C ATOM 212 C ASN A 18 -6.275 -4.649 -0.374 1.00 0.00 C ATOM 213 O ASN A 18 -5.761 -4.643 0.744 1.00 0.00 O ATOM 214 CB ASN A 18 -8.481 -5.721 -0.039 1.00 0.00 C ATOM 215 CG ASN A 18 -9.616 -5.235 -0.943 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.876 -5.780 -2.004 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.275 -4.183 -0.467 1.00 0.00 N ATOM 0 H ASN A 18 -6.833 -7.572 0.275 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.372 -5.767 -1.882 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.733 -6.698 0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.365 -5.039 0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.050 -3.784 -0.997 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.006 -3.775 0.428 1.00 0.00 H new ATOM 224 N LEU A 19 -6.121 -3.691 -1.276 1.00 0.00 N ATOM 225 CA LEU A 19 -5.302 -2.523 -0.996 1.00 0.00 C ATOM 226 C LEU A 19 -6.137 -1.258 -1.204 1.00 0.00 C ATOM 227 O LEU A 19 -6.962 -1.198 -2.114 1.00 0.00 O ATOM 228 CB LEU A 19 -4.019 -2.557 -1.828 1.00 0.00 C ATOM 229 CG LEU A 19 -2.949 -3.550 -1.370 1.00 0.00 C ATOM 230 CD1 LEU A 19 -1.595 -3.229 -2.007 1.00 0.00 C ATOM 231 CD2 LEU A 19 -2.866 -3.602 0.157 1.00 0.00 C ATOM 0 H LEU A 19 -6.549 -3.699 -2.202 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.979 -2.524 0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.284 -2.789 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.583 -1.558 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.238 -4.544 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.852 -3.950 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.681 -3.284 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.286 -2.224 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.098 -4.315 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.613 -2.614 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.828 -3.914 0.563 1.00 0.00 H new ATOM 243 N ARG A 20 -5.894 -0.279 -0.345 1.00 0.00 N ATOM 244 CA ARG A 20 -6.614 0.981 -0.423 1.00 0.00 C ATOM 245 C ARG A 20 -5.711 2.072 -1.001 1.00 0.00 C ATOM 246 O ARG A 20 -4.788 2.537 -0.335 1.00 0.00 O ATOM 247 CB ARG A 20 -7.111 1.418 0.956 1.00 0.00 C ATOM 248 CG ARG A 20 -7.548 2.884 0.942 1.00 0.00 C ATOM 249 CD ARG A 20 -8.702 3.121 1.918 1.00 0.00 C ATOM 250 NE ARG A 20 -9.997 2.966 1.218 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.190 3.188 1.786 1.00 0.00 C ATOM 252 NH1 ARG A 20 -11.260 3.577 3.067 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.313 3.022 1.074 1.00 0.00 N ATOM 0 H ARG A 20 -5.209 -0.333 0.409 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.474 0.832 -1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.947 0.789 1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.320 1.278 1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.705 3.521 1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.855 3.166 -0.065 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.640 2.415 2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.628 4.121 2.346 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.980 2.672 0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.405 3.704 3.609 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.168 3.746 3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.260 2.726 0.099 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.221 3.191 1.507 1.00 0.00 H new ATOM 267 N LEU A 21 -6.009 2.449 -2.236 1.00 0.00 N ATOM 268 CA LEU A 21 -5.235 3.477 -2.912 1.00 0.00 C ATOM 269 C LEU A 21 -5.895 4.838 -2.683 1.00 0.00 C ATOM 270 O LEU A 21 -6.931 5.138 -3.275 1.00 0.00 O ATOM 271 CB LEU A 21 -5.050 3.124 -4.389 1.00 0.00 C ATOM 272 CG LEU A 21 -4.053 2.003 -4.691 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.617 2.461 -4.425 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.404 0.733 -3.913 1.00 0.00 C ATOM 0 H LEU A 21 -6.775 2.061 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.230 3.535 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.020 2.841 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.730 4.021 -4.919 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.122 1.760 -5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.928 1.646 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.384 3.316 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.514 2.747 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.680 -0.048 -4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.380 0.943 -2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.402 0.398 -4.195 1.00 0.00 H new ATOM 286 N ILE A 22 -5.268 5.627 -1.823 1.00 0.00 N ATOM 287 CA ILE A 22 -5.781 6.950 -1.509 1.00 0.00 C ATOM 288 C ILE A 22 -4.984 7.999 -2.287 1.00 0.00 C ATOM 289 O ILE A 22 -3.789 7.829 -2.520 1.00 0.00 O ATOM 290 CB ILE A 22 -5.784 7.177 0.004 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.645 6.131 0.715 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.220 8.604 0.343 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.987 5.672 2.017 1.00 0.00 C ATOM 0 H ILE A 22 -4.409 5.376 -1.334 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.820 7.041 -1.824 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.764 7.056 0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.629 6.549 0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.798 5.274 0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.214 8.739 1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.531 9.314 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.226 8.777 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.620 4.929 2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.014 5.233 1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.858 6.527 2.680 1.00 0.00 H new ATOM 416 N GLU A 30 -10.688 0.773 -3.805 1.00 0.00 N ATOM 417 CA GLU A 30 -10.244 -0.534 -3.352 1.00 0.00 C ATOM 418 C GLU A 30 -9.753 -1.368 -4.537 1.00 0.00 C ATOM 419 O GLU A 30 -10.468 -1.530 -5.525 1.00 0.00 O ATOM 420 CB GLU A 30 -11.358 -1.259 -2.594 1.00 0.00 C ATOM 421 CG GLU A 30 -11.570 -0.643 -1.210 1.00 0.00 C ATOM 422 CD GLU A 30 -12.503 -1.510 -0.362 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.647 -1.727 -0.818 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.053 -1.935 0.724 1.00 0.00 O ATOM 0 HA GLU A 30 -9.412 -0.395 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.285 -1.207 -3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.106 -2.314 -2.491 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.610 -0.534 -0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.991 0.357 -1.314 1.00 0.00 H new ATOM 431 N PHE A 31 -8.537 -1.876 -4.398 1.00 0.00 N ATOM 432 CA PHE A 31 -7.943 -2.690 -5.445 1.00 0.00 C ATOM 433 C PHE A 31 -7.648 -4.104 -4.940 1.00 0.00 C ATOM 434 O PHE A 31 -7.888 -4.413 -3.774 1.00 0.00 O ATOM 435 CB PHE A 31 -6.627 -2.018 -5.841 1.00 0.00 C ATOM 436 CG PHE A 31 -6.785 -0.904 -6.878 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.065 -1.214 -8.172 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.645 0.397 -6.506 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.212 -0.180 -9.135 1.00 0.00 C ATOM 440 CE2 PHE A 31 -6.792 1.430 -7.468 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.072 1.120 -8.762 1.00 0.00 C ATOM 0 H PHE A 31 -7.947 -1.740 -3.577 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.629 -2.770 -6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.158 -1.605 -4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.949 -2.775 -6.236 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.176 -2.247 -8.468 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.422 0.644 -5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.435 -0.426 -10.163 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.681 2.463 -7.172 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.183 1.907 -9.494 1.00 0.00 H new ATOM 451 N LEU A 32 -7.131 -4.924 -5.842 1.00 0.00 N ATOM 452 CA LEU A 32 -6.800 -6.298 -5.502 1.00 0.00 C ATOM 453 C LEU A 32 -5.432 -6.649 -6.091 1.00 0.00 C ATOM 454 O LEU A 32 -5.155 -6.347 -7.251 1.00 0.00 O ATOM 455 CB LEU A 32 -7.920 -7.243 -5.942 1.00 0.00 C ATOM 456 CG LEU A 32 -9.125 -7.338 -5.003 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.428 -7.464 -5.795 1.00 0.00 C ATOM 458 CD2 LEU A 32 -8.950 -8.480 -4.001 1.00 0.00 C ATOM 0 H LEU A 32 -6.933 -4.664 -6.808 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.722 -6.415 -4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.273 -6.924 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.499 -8.241 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.185 -6.413 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.269 -7.530 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.551 -6.590 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.394 -8.362 -6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.820 -8.526 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.850 -9.423 -4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.055 -8.306 -3.404 1.00 0.00 H new ATOM 470 N PHE A 33 -4.613 -7.283 -5.264 1.00 0.00 N ATOM 471 CA PHE A 33 -3.281 -7.679 -5.689 1.00 0.00 C ATOM 472 C PHE A 33 -2.934 -9.077 -5.172 1.00 0.00 C ATOM 473 O PHE A 33 -3.640 -9.623 -4.326 1.00 0.00 O ATOM 474 CB PHE A 33 -2.302 -6.668 -5.088 1.00 0.00 C ATOM 475 CG PHE A 33 -2.520 -5.231 -5.566 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.457 -4.938 -6.892 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.777 -4.246 -4.664 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.660 -3.605 -7.336 1.00 0.00 C ATOM 479 CE2 PHE A 33 -2.979 -2.913 -5.107 1.00 0.00 C ATOM 480 CZ PHE A 33 -2.916 -2.620 -6.433 1.00 0.00 C ATOM 0 H PHE A 33 -4.846 -7.532 -4.303 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.228 -7.700 -6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.388 -6.696 -4.002 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.285 -6.972 -5.335 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.252 -5.720 -7.608 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.827 -4.478 -3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.611 -3.373 -8.390 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.183 -2.131 -4.390 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.069 -1.605 -6.770 1.00 0.00 H new ATOM 490 N SER A 34 -1.846 -9.615 -5.703 1.00 0.00 N ATOM 491 CA SER A 34 -1.397 -10.939 -5.306 1.00 0.00 C ATOM 492 C SER A 34 -0.139 -10.827 -4.443 1.00 0.00 C ATOM 493 O SER A 34 0.528 -9.793 -4.441 1.00 0.00 O ATOM 494 CB SER A 34 -1.125 -11.818 -6.529 1.00 0.00 C ATOM 495 OG SER A 34 0.092 -12.548 -6.401 1.00 0.00 O ATOM 0 H SER A 34 -1.262 -9.159 -6.404 1.00 0.00 H new ATOM 0 HA SER A 34 -2.189 -11.409 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.953 -12.514 -6.667 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.081 -11.194 -7.422 1.00 0.00 H new ATOM 0 HG SER A 34 0.229 -13.098 -7.200 1.00 0.00 H new ATOM 501 N PRO A 35 0.156 -11.935 -3.710 1.00 0.00 N ATOM 502 CA PRO A 35 1.322 -11.971 -2.844 1.00 0.00 C ATOM 503 C PRO A 35 2.607 -12.126 -3.661 1.00 0.00 C ATOM 504 O PRO A 35 3.706 -12.069 -3.112 1.00 0.00 O ATOM 505 CB PRO A 35 1.075 -13.135 -1.899 1.00 0.00 C ATOM 506 CG PRO A 35 0.009 -13.992 -2.564 1.00 0.00 C ATOM 507 CD PRO A 35 -0.610 -13.177 -3.688 1.00 0.00 C ATOM 0 HA PRO A 35 1.460 -11.045 -2.286 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.989 -13.706 -1.735 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.740 -12.782 -0.924 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.447 -14.911 -2.955 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.752 -14.284 -1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.542 -13.701 -4.641 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.667 -12.987 -3.504 1.00 0.00 H new ATOM 515 N ASN A 36 2.425 -12.320 -4.959 1.00 0.00 N ATOM 516 CA ASN A 36 3.556 -12.484 -5.856 1.00 0.00 C ATOM 517 C ASN A 36 3.856 -11.149 -6.541 1.00 0.00 C ATOM 518 O ASN A 36 5.002 -10.872 -6.894 1.00 0.00 O ATOM 519 CB ASN A 36 3.251 -13.516 -6.944 1.00 0.00 C ATOM 520 CG ASN A 36 2.892 -14.870 -6.331 1.00 0.00 C ATOM 521 OD1 ASN A 36 3.567 -15.381 -5.452 1.00 0.00 O ATOM 522 ND2 ASN A 36 1.795 -15.422 -6.841 1.00 0.00 N ATOM 0 H ASN A 36 1.512 -12.367 -5.411 1.00 0.00 H new ATOM 0 HA ASN A 36 4.408 -12.823 -5.266 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.426 -13.163 -7.564 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.116 -13.627 -7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.472 -16.327 -6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.276 -14.941 -7.575 1.00 0.00 H new ATOM 529 N ASP A 37 2.807 -10.358 -6.708 1.00 0.00 N ATOM 530 CA ASP A 37 2.944 -9.058 -7.345 1.00 0.00 C ATOM 531 C ASP A 37 3.854 -8.171 -6.492 1.00 0.00 C ATOM 532 O ASP A 37 3.905 -8.320 -5.272 1.00 0.00 O ATOM 533 CB ASP A 37 1.588 -8.362 -7.472 1.00 0.00 C ATOM 534 CG ASP A 37 0.660 -8.943 -8.540 1.00 0.00 C ATOM 535 OD1 ASP A 37 0.730 -10.174 -8.743 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.099 -8.143 -9.129 1.00 0.00 O ATOM 0 H ASP A 37 1.859 -10.591 -6.414 1.00 0.00 H new ATOM 0 HA ASP A 37 3.365 -9.211 -8.339 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.081 -8.408 -6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.757 -7.308 -7.693 1.00 0.00 H new ATOM 541 N SER A 38 4.548 -7.268 -7.168 1.00 0.00 N ATOM 542 CA SER A 38 5.453 -6.357 -6.488 1.00 0.00 C ATOM 543 C SER A 38 4.832 -4.960 -6.415 1.00 0.00 C ATOM 544 O SER A 38 3.795 -4.706 -7.024 1.00 0.00 O ATOM 545 CB SER A 38 6.809 -6.299 -7.194 1.00 0.00 C ATOM 546 OG SER A 38 6.748 -5.557 -8.409 1.00 0.00 O ATOM 0 H SER A 38 4.502 -7.147 -8.180 1.00 0.00 H new ATOM 0 HA SER A 38 5.616 -6.728 -5.476 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.544 -5.846 -6.529 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.151 -7.312 -7.405 1.00 0.00 H new ATOM 0 HG SER A 38 7.616 -5.135 -8.578 1.00 0.00 H new ATOM 552 N ALA A 39 5.494 -4.092 -5.664 1.00 0.00 N ATOM 553 CA ALA A 39 5.020 -2.728 -5.504 1.00 0.00 C ATOM 554 C ALA A 39 4.785 -2.109 -6.883 1.00 0.00 C ATOM 555 O ALA A 39 3.874 -1.300 -7.057 1.00 0.00 O ATOM 556 CB ALA A 39 6.027 -1.932 -4.671 1.00 0.00 C ATOM 0 H ALA A 39 6.354 -4.307 -5.160 1.00 0.00 H new ATOM 0 HA ALA A 39 4.070 -2.712 -4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.672 -0.909 -4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.136 -2.396 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.992 -1.924 -5.177 1.00 0.00 H new ATOM 562 N SER A 40 5.621 -2.512 -7.828 1.00 0.00 N ATOM 563 CA SER A 40 5.516 -2.007 -9.186 1.00 0.00 C ATOM 564 C SER A 40 4.160 -2.388 -9.782 1.00 0.00 C ATOM 565 O SER A 40 3.376 -1.518 -10.159 1.00 0.00 O ATOM 566 CB SER A 40 6.650 -2.542 -10.062 1.00 0.00 C ATOM 567 OG SER A 40 7.857 -1.806 -9.882 1.00 0.00 O ATOM 0 H SER A 40 6.375 -3.183 -7.680 1.00 0.00 H new ATOM 0 HA SER A 40 5.600 -0.921 -9.154 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.827 -3.591 -9.825 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.351 -2.497 -11.109 1.00 0.00 H new ATOM 0 HG SER A 40 8.557 -2.180 -10.457 1.00 0.00 H new ATOM 573 N ASP A 41 3.923 -3.690 -9.849 1.00 0.00 N ATOM 574 CA ASP A 41 2.675 -4.197 -10.393 1.00 0.00 C ATOM 575 C ASP A 41 1.506 -3.416 -9.790 1.00 0.00 C ATOM 576 O ASP A 41 0.588 -3.015 -10.505 1.00 0.00 O ATOM 577 CB ASP A 41 2.484 -5.676 -10.048 1.00 0.00 C ATOM 578 CG ASP A 41 3.074 -6.658 -11.062 1.00 0.00 C ATOM 579 OD1 ASP A 41 3.757 -6.174 -11.990 1.00 0.00 O ATOM 580 OD2 ASP A 41 2.829 -7.871 -10.885 1.00 0.00 O ATOM 0 H ASP A 41 4.575 -4.409 -9.535 1.00 0.00 H new ATOM 0 HA ASP A 41 2.708 -4.081 -11.476 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.935 -5.868 -9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.417 -5.876 -9.950 1.00 0.00 H new ATOM 585 N ILE A 42 1.578 -3.223 -8.481 1.00 0.00 N ATOM 586 CA ILE A 42 0.537 -2.497 -7.774 1.00 0.00 C ATOM 587 C ILE A 42 0.425 -1.084 -8.350 1.00 0.00 C ATOM 588 O ILE A 42 -0.509 -0.784 -9.092 1.00 0.00 O ATOM 589 CB ILE A 42 0.792 -2.528 -6.266 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.743 -3.961 -5.731 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.180 -1.606 -5.526 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.051 -3.997 -4.233 1.00 0.00 C ATOM 0 H ILE A 42 2.341 -3.557 -7.892 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.430 -2.979 -7.920 1.00 0.00 H new ATOM 0 HB ILE A 42 1.798 -2.150 -6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.243 -4.388 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.462 -4.579 -6.269 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.023 -1.647 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.053 -0.583 -5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.204 -1.930 -5.714 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.010 -5.027 -3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.047 -3.592 -4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.316 -3.398 -3.696 1.00 0.00 H new ATOM 604 N ALA A 43 1.391 -0.253 -7.986 1.00 0.00 N ATOM 605 CA ALA A 43 1.413 1.121 -8.458 1.00 0.00 C ATOM 606 C ALA A 43 1.075 1.150 -9.949 1.00 0.00 C ATOM 607 O ALA A 43 0.173 1.872 -10.372 1.00 0.00 O ATOM 608 CB ALA A 43 2.779 1.742 -8.157 1.00 0.00 C ATOM 0 H ALA A 43 2.164 -0.505 -7.370 1.00 0.00 H new ATOM 0 HA ALA A 43 0.662 1.717 -7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.796 2.773 -8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.958 1.724 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.558 1.172 -8.664 1.00 0.00 H new ATOM 614 N LYS A 44 1.816 0.355 -10.707 1.00 0.00 N ATOM 615 CA LYS A 44 1.607 0.280 -12.143 1.00 0.00 C ATOM 616 C LYS A 44 0.124 0.027 -12.425 1.00 0.00 C ATOM 617 O LYS A 44 -0.502 0.767 -13.182 1.00 0.00 O ATOM 618 CB LYS A 44 2.537 -0.762 -12.767 1.00 0.00 C ATOM 619 CG LYS A 44 2.368 -0.808 -14.287 1.00 0.00 C ATOM 620 CD LYS A 44 3.246 0.244 -14.968 1.00 0.00 C ATOM 621 CE LYS A 44 3.403 -0.057 -16.460 1.00 0.00 C ATOM 622 NZ LYS A 44 2.194 0.361 -17.203 1.00 0.00 N ATOM 0 H LYS A 44 2.563 -0.243 -10.353 1.00 0.00 H new ATOM 0 HA LYS A 44 1.866 1.228 -12.615 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.572 -0.525 -12.520 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.325 -1.744 -12.344 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.630 -1.800 -14.656 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.323 -0.638 -14.546 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.804 1.232 -14.837 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.227 0.268 -14.493 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.276 0.464 -16.852 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.576 -1.123 -16.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.317 0.150 -18.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.367 -0.155 -16.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.046 1.383 -17.079 1.00 0.00 H new ATOM 636 N HIS A 45 -0.394 -1.020 -11.800 1.00 0.00 N ATOM 637 CA HIS A 45 -1.791 -1.380 -11.974 1.00 0.00 C ATOM 638 C HIS A 45 -2.666 -0.137 -11.802 1.00 0.00 C ATOM 639 O HIS A 45 -3.468 0.188 -12.676 1.00 0.00 O ATOM 640 CB HIS A 45 -2.182 -2.516 -11.027 1.00 0.00 C ATOM 641 CG HIS A 45 -3.666 -2.790 -10.976 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.219 -3.997 -11.367 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.705 -2.002 -10.575 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.532 -3.926 -11.206 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.831 -2.689 -10.716 1.00 0.00 N ATOM 0 H HIS A 45 0.129 -1.631 -11.172 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.950 -1.757 -12.984 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.665 -3.425 -11.334 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.833 -2.275 -10.023 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.624 -0.990 -10.205 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.241 -4.710 -11.425 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.766 -2.348 -10.494 1.00 0.00 H new ATOM 997 N LEU A 67 5.269 3.875 -3.168 1.00 0.00 N ATOM 998 CA LEU A 67 4.050 3.524 -2.460 1.00 0.00 C ATOM 999 C LEU A 67 4.279 3.673 -0.954 1.00 0.00 C ATOM 1000 O LEU A 67 5.248 3.142 -0.414 1.00 0.00 O ATOM 1001 CB LEU A 67 3.572 2.131 -2.874 1.00 0.00 C ATOM 1002 CG LEU A 67 3.280 1.155 -1.733 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.023 1.569 -0.965 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.189 -0.282 -2.250 1.00 0.00 C ATOM 0 HA LEU A 67 3.243 4.206 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.667 2.242 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.328 1.687 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 67 4.113 1.192 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.838 0.858 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.165 2.565 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.169 1.579 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.981 -0.955 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.387 -0.354 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.134 -0.562 -2.715 1.00 0.00 H new ATOM 1016 N ILE A 68 3.370 4.399 -0.319 1.00 0.00 N ATOM 1017 CA ILE A 68 3.461 4.625 1.114 1.00 0.00 C ATOM 1018 C ILE A 68 2.528 3.653 1.839 1.00 0.00 C ATOM 1019 O ILE A 68 1.405 3.417 1.395 1.00 0.00 O ATOM 1020 CB ILE A 68 3.193 6.095 1.442 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.316 6.988 0.912 1.00 0.00 C ATOM 1022 CG2 ILE A 68 2.966 6.289 2.943 1.00 0.00 C ATOM 1023 CD1 ILE A 68 3.908 7.662 -0.400 1.00 0.00 C ATOM 0 H ILE A 68 2.567 4.838 -0.770 1.00 0.00 H new ATOM 0 HA ILE A 68 4.471 4.422 1.469 1.00 0.00 H new ATOM 0 HB ILE A 68 2.276 6.397 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.562 7.748 1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.215 6.393 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.778 7.343 3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.107 5.698 3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.851 5.965 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.724 8.291 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.686 6.900 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.023 8.276 -0.234 1.00 0.00 H new ATOM 1035 N TYR A 69 3.027 3.114 2.942 1.00 0.00 N ATOM 1036 CA TYR A 69 2.252 2.173 3.732 1.00 0.00 C ATOM 1037 C TYR A 69 2.491 2.387 5.228 1.00 0.00 C ATOM 1038 O TYR A 69 3.623 2.287 5.700 1.00 0.00 O ATOM 1039 CB TYR A 69 2.752 0.782 3.341 1.00 0.00 C ATOM 1040 CG TYR A 69 2.151 -0.353 4.173 1.00 0.00 C ATOM 1041 CD1 TYR A 69 0.907 -0.199 4.752 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.852 -1.529 4.345 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.341 -1.267 5.536 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.286 -2.596 5.129 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.058 -2.413 5.685 1.00 0.00 C ATOM 1046 OH TYR A 69 0.524 -3.421 6.425 1.00 0.00 O ATOM 0 H TYR A 69 3.959 3.311 3.307 1.00 0.00 H new ATOM 0 HA TYR A 69 1.186 2.301 3.545 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.524 0.608 2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.837 0.756 3.440 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.359 0.722 4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.825 -1.649 3.892 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.631 -1.160 5.995 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.825 -3.521 5.272 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.453 -3.391 6.361 1.00 0.00 H new ATOM 1056 N GLN A 70 1.407 2.677 5.933 1.00 0.00 N ATOM 1057 CA GLN A 70 1.485 2.905 7.366 1.00 0.00 C ATOM 1058 C GLN A 70 2.232 4.208 7.656 1.00 0.00 C ATOM 1059 O GLN A 70 2.530 4.514 8.810 1.00 0.00 O ATOM 1060 CB GLN A 70 2.150 1.723 8.074 1.00 0.00 C ATOM 1061 CG GLN A 70 1.112 0.864 8.799 1.00 0.00 C ATOM 1062 CD GLN A 70 1.665 0.340 10.126 1.00 0.00 C ATOM 1063 OE1 GLN A 70 2.825 -0.020 10.247 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.773 0.317 11.113 1.00 0.00 N ATOM 0 H GLN A 70 0.470 2.759 5.538 1.00 0.00 H new ATOM 0 HA GLN A 70 0.471 2.996 7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.687 1.114 7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.887 2.090 8.789 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.212 1.452 8.982 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.822 0.026 8.165 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.182 0.633 10.945 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.044 -0.016 12.038 1.00 0.00 H new ATOM 1073 N GLY A 71 2.514 4.941 6.589 1.00 0.00 N ATOM 1074 CA GLY A 71 3.221 6.205 6.715 1.00 0.00 C ATOM 1075 C GLY A 71 4.566 6.155 5.988 1.00 0.00 C ATOM 1076 O GLY A 71 4.956 7.118 5.329 1.00 0.00 O ATOM 0 H GLY A 71 2.266 4.684 5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.611 7.010 6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.381 6.433 7.769 1.00 0.00 H new ATOM 1080 N ARG A 72 5.239 5.023 6.132 1.00 0.00 N ATOM 1081 CA ARG A 72 6.533 4.835 5.497 1.00 0.00 C ATOM 1082 C ARG A 72 6.353 4.485 4.018 1.00 0.00 C ATOM 1083 O ARG A 72 5.230 4.447 3.518 1.00 0.00 O ATOM 1084 CB ARG A 72 7.327 3.723 6.184 1.00 0.00 C ATOM 1085 CG ARG A 72 6.778 2.345 5.811 1.00 0.00 C ATOM 1086 CD ARG A 72 6.693 1.437 7.039 1.00 0.00 C ATOM 1087 NE ARG A 72 6.396 0.048 6.623 1.00 0.00 N ATOM 1088 CZ ARG A 72 7.258 -0.739 5.964 1.00 0.00 C ATOM 1089 NH1 ARG A 72 8.474 -0.278 5.642 1.00 0.00 N ATOM 1090 NH2 ARG A 72 6.903 -1.986 5.626 1.00 0.00 N ATOM 0 H ARG A 72 4.913 4.226 6.679 1.00 0.00 H new ATOM 0 HA ARG A 72 7.086 5.770 5.588 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.376 3.790 5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.283 3.855 7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.789 2.452 5.365 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.419 1.886 5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.633 1.467 7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.917 1.797 7.714 1.00 0.00 H new ATOM 0 HE ARG A 72 5.478 -0.334 6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.744 0.672 5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.130 -0.877 5.141 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.977 -2.336 5.870 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.559 -2.585 5.125 1.00 0.00 H new ATOM 1104 N PHE A 73 7.476 4.238 3.361 1.00 0.00 N ATOM 1105 CA PHE A 73 7.456 3.892 1.950 1.00 0.00 C ATOM 1106 C PHE A 73 7.948 2.460 1.729 1.00 0.00 C ATOM 1107 O PHE A 73 8.819 1.981 2.453 1.00 0.00 O ATOM 1108 CB PHE A 73 8.405 4.859 1.239 1.00 0.00 C ATOM 1109 CG PHE A 73 7.967 6.324 1.308 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.102 7.019 2.469 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.443 6.930 0.209 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.696 8.378 2.534 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.037 8.289 0.274 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.172 8.985 1.435 1.00 0.00 C ATOM 0 H PHE A 73 8.406 4.271 3.779 1.00 0.00 H new ATOM 0 HA PHE A 73 6.439 3.962 1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.398 4.766 1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.491 4.565 0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.518 6.537 3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.336 6.378 -0.713 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.803 8.930 3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.621 8.770 -0.599 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.863 10.019 1.484 1.00 0.00 H new ATOM 1124 N LEU A 74 7.368 1.817 0.726 1.00 0.00 N ATOM 1125 CA LEU A 74 7.736 0.449 0.401 1.00 0.00 C ATOM 1126 C LEU A 74 8.661 0.451 -0.817 1.00 0.00 C ATOM 1127 O LEU A 74 8.620 1.372 -1.632 1.00 0.00 O ATOM 1128 CB LEU A 74 6.486 -0.414 0.224 1.00 0.00 C ATOM 1129 CG LEU A 74 5.496 -0.411 1.391 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.202 -1.135 1.015 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.135 -0.995 2.653 1.00 0.00 C ATOM 0 H LEU A 74 6.646 2.218 0.128 1.00 0.00 H new ATOM 0 HA LEU A 74 8.292 -0.002 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.962 -0.080 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.801 -1.442 0.044 1.00 0.00 H new ATOM 0 HG LEU A 74 5.232 0.623 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.516 -1.118 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.740 -0.635 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.427 -2.168 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.411 -0.981 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.446 -2.022 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.004 -0.398 2.930 1.00 0.00 H new ATOM 1143 N HIS A 75 9.474 -0.592 -0.904 1.00 0.00 N ATOM 1144 CA HIS A 75 10.407 -0.723 -2.010 1.00 0.00 C ATOM 1145 C HIS A 75 9.653 -1.149 -3.271 1.00 0.00 C ATOM 1146 O HIS A 75 8.536 -1.656 -3.189 1.00 0.00 O ATOM 1147 CB HIS A 75 11.546 -1.679 -1.650 1.00 0.00 C ATOM 1148 CG HIS A 75 12.918 -1.168 -2.023 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.596 -1.597 -3.150 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.729 -0.261 -1.407 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.762 -0.971 -3.200 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.843 -0.143 -2.119 1.00 0.00 N ATOM 0 H HIS A 75 9.506 -1.354 -0.227 1.00 0.00 H new ATOM 0 HA HIS A 75 10.871 0.242 -2.214 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.520 -1.871 -0.577 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.377 -2.633 -2.149 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.503 0.271 -0.495 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.516 -1.094 -3.963 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.630 0.466 -1.895 1.00 0.00 H new ATOM 1160 N GLY A 76 10.294 -0.926 -4.409 1.00 0.00 N ATOM 1161 CA GLY A 76 9.698 -1.280 -5.686 1.00 0.00 C ATOM 1162 C GLY A 76 9.857 -2.775 -5.970 1.00 0.00 C ATOM 1163 O GLY A 76 9.097 -3.347 -6.749 1.00 0.00 O ATOM 0 H GLY A 76 11.221 -0.504 -4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.640 -1.017 -5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.167 -0.703 -6.483 1.00 0.00 H new ATOM 1167 N ASN A 77 10.851 -3.365 -5.321 1.00 0.00 N ATOM 1168 CA ASN A 77 11.120 -4.783 -5.494 1.00 0.00 C ATOM 1169 C ASN A 77 10.303 -5.580 -4.476 1.00 0.00 C ATOM 1170 O ASN A 77 10.145 -6.792 -4.614 1.00 0.00 O ATOM 1171 CB ASN A 77 12.599 -5.095 -5.262 1.00 0.00 C ATOM 1172 CG ASN A 77 13.208 -5.800 -6.476 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.560 -6.028 -7.484 1.00 0.00 O ATOM 1174 ND2 ASN A 77 14.487 -6.131 -6.323 1.00 0.00 N ATOM 0 H ASN A 77 11.479 -2.887 -4.675 1.00 0.00 H new ATOM 0 HA ASN A 77 10.850 -5.056 -6.514 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.142 -4.171 -5.063 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.707 -5.725 -4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.985 -6.605 -7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.970 -5.910 -5.452 1.00 0.00 H new ATOM 1181 N VAL A 78 9.805 -4.868 -3.476 1.00 0.00 N ATOM 1182 CA VAL A 78 9.008 -5.494 -2.435 1.00 0.00 C ATOM 1183 C VAL A 78 7.764 -6.127 -3.062 1.00 0.00 C ATOM 1184 O VAL A 78 7.258 -5.641 -4.073 1.00 0.00 O ATOM 1185 CB VAL A 78 8.674 -4.473 -1.346 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.454 -4.915 -0.535 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.879 -4.230 -0.434 1.00 0.00 C ATOM 0 H VAL A 78 9.938 -3.863 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 78 9.571 -6.292 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 78 8.428 -3.531 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.238 -4.171 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.594 -5.014 -1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.660 -5.875 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.615 -3.500 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.169 -5.166 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.712 -3.850 -1.025 1.00 0.00 H new ATOM 1197 N THR A 79 7.307 -7.202 -2.437 1.00 0.00 N ATOM 1198 CA THR A 79 6.132 -7.907 -2.921 1.00 0.00 C ATOM 1199 C THR A 79 5.249 -8.339 -1.749 1.00 0.00 C ATOM 1200 O THR A 79 5.751 -8.799 -0.725 1.00 0.00 O ATOM 1201 CB THR A 79 6.605 -9.075 -3.788 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.215 -9.970 -2.862 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.744 -8.680 -4.731 1.00 0.00 C ATOM 0 H THR A 79 7.729 -7.602 -1.599 1.00 0.00 H new ATOM 0 HA THR A 79 5.508 -7.259 -3.536 1.00 0.00 H new ATOM 0 HB THR A 79 5.767 -9.457 -4.371 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.549 -10.758 -3.340 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.042 -9.545 -5.324 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.407 -7.884 -5.395 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.595 -8.329 -4.147 1.00 0.00 H new ATOM 1211 N LEU A 80 3.947 -8.176 -1.938 1.00 0.00 N ATOM 1212 CA LEU A 80 2.989 -8.544 -0.910 1.00 0.00 C ATOM 1213 C LEU A 80 3.430 -9.854 -0.254 1.00 0.00 C ATOM 1214 O LEU A 80 3.191 -10.068 0.934 1.00 0.00 O ATOM 1215 CB LEU A 80 1.574 -8.591 -1.488 1.00 0.00 C ATOM 1216 CG LEU A 80 0.886 -7.239 -1.690 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.476 -7.413 -2.365 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.778 -6.476 -0.369 1.00 0.00 C ATOM 0 H LEU A 80 3.534 -7.794 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 80 2.962 -7.788 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.612 -9.104 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.953 -9.197 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 80 1.502 -6.638 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.944 -6.437 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.342 -7.886 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.114 -8.040 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.285 -5.519 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.196 -7.061 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.776 -6.303 0.034 1.00 0.00 H new ATOM 1230 N GLY A 81 4.065 -10.696 -1.055 1.00 0.00 N ATOM 1231 CA GLY A 81 4.541 -11.979 -0.567 1.00 0.00 C ATOM 1232 C GLY A 81 5.527 -11.795 0.588 1.00 0.00 C ATOM 1233 O GLY A 81 5.358 -12.386 1.653 1.00 0.00 O ATOM 0 H GLY A 81 4.261 -10.515 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.696 -12.582 -0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.023 -12.524 -1.378 1.00 0.00 H new ATOM 1237 N ALA A 82 6.535 -10.972 0.338 1.00 0.00 N ATOM 1238 CA ALA A 82 7.548 -10.703 1.344 1.00 0.00 C ATOM 1239 C ALA A 82 6.912 -9.948 2.513 1.00 0.00 C ATOM 1240 O ALA A 82 7.429 -9.974 3.629 1.00 0.00 O ATOM 1241 CB ALA A 82 8.704 -9.928 0.709 1.00 0.00 C ATOM 0 H ALA A 82 6.672 -10.483 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 82 7.956 -11.634 1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.464 -9.726 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.140 -10.520 -0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.333 -8.986 0.307 1.00 0.00 H new ATOM 1247 N LEU A 83 5.799 -9.292 2.217 1.00 0.00 N ATOM 1248 CA LEU A 83 5.087 -8.531 3.229 1.00 0.00 C ATOM 1249 C LEU A 83 4.221 -9.480 4.059 1.00 0.00 C ATOM 1250 O LEU A 83 3.573 -9.059 5.016 1.00 0.00 O ATOM 1251 CB LEU A 83 4.302 -7.386 2.585 1.00 0.00 C ATOM 1252 CG LEU A 83 5.138 -6.274 1.949 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.243 -5.162 1.399 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.178 -5.738 2.934 1.00 0.00 C ATOM 0 H LEU A 83 5.373 -9.272 1.290 1.00 0.00 H new ATOM 0 HA LEU A 83 5.790 -8.058 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.649 -7.805 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.659 -6.941 3.344 1.00 0.00 H new ATOM 0 HG LEU A 83 5.683 -6.697 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.862 -4.384 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.575 -5.573 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.653 -4.735 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.759 -4.949 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.674 -5.336 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.844 -6.546 3.236 1.00 0.00 H new ATOM 1266 N LYS A 84 4.236 -10.744 3.662 1.00 0.00 N ATOM 1267 CA LYS A 84 3.460 -11.757 4.358 1.00 0.00 C ATOM 1268 C LYS A 84 2.186 -11.122 4.916 1.00 0.00 C ATOM 1269 O LYS A 84 1.819 -11.363 6.066 1.00 0.00 O ATOM 1270 CB LYS A 84 4.316 -12.453 5.418 1.00 0.00 C ATOM 1271 CG LYS A 84 5.011 -11.431 6.320 1.00 0.00 C ATOM 1272 CD LYS A 84 4.046 -10.883 7.372 1.00 0.00 C ATOM 1273 CE LYS A 84 4.807 -10.301 8.565 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.869 -9.928 9.647 1.00 0.00 N ATOM 0 H LYS A 84 4.773 -11.090 2.867 1.00 0.00 H new ATOM 0 HA LYS A 84 3.150 -12.541 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.690 -13.110 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.062 -13.082 4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.865 -11.896 6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.399 -10.611 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.417 -10.112 6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.383 -11.679 7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.527 -11.031 8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.374 -9.425 8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.402 -9.535 10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.198 -9.216 9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.346 -10.771 9.959 1.00 0.00 H new ATOM 1288 N LEU A 85 1.545 -10.321 4.077 1.00 0.00 N ATOM 1289 CA LEU A 85 0.318 -9.649 4.473 1.00 0.00 C ATOM 1290 C LEU A 85 -0.809 -10.678 4.584 1.00 0.00 C ATOM 1291 O LEU A 85 -0.808 -11.684 3.876 1.00 0.00 O ATOM 1292 CB LEU A 85 0.007 -8.496 3.517 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.020 -7.098 4.138 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.106 -6.931 5.160 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.021 -6.017 3.057 1.00 0.00 C ATOM 0 H LEU A 85 1.852 -10.122 3.125 1.00 0.00 H new ATOM 0 HA LEU A 85 0.432 -9.194 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.749 -8.503 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.962 -8.685 3.054 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.962 -6.980 4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.065 -5.929 5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.989 -7.668 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.068 -7.077 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.001 -5.033 3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.935 -6.122 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.843 -6.125 2.402 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.768 -10.383 5.502 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.899 -11.270 5.715 1.00 0.00 C ATOM 1309 C PRO A 86 -3.909 -11.156 4.571 1.00 0.00 C ATOM 1310 O PRO A 86 -4.280 -10.052 4.175 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.475 -10.858 7.059 1.00 0.00 C ATOM 1312 CG PRO A 86 -2.939 -9.462 7.332 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.802 -9.201 6.358 1.00 0.00 C ATOM 0 HA PRO A 86 -2.612 -12.322 5.725 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.565 -10.860 7.034 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.173 -11.553 7.843 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.727 -8.719 7.207 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.587 -9.383 8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.979 -8.296 5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.856 -9.064 6.882 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.324 -12.311 4.073 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.284 -12.354 2.983 1.00 0.00 C ATOM 1323 C PHE A 87 -6.688 -12.000 3.475 1.00 0.00 C ATOM 1324 O PHE A 87 -6.921 -11.896 4.678 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.290 -13.788 2.448 1.00 0.00 C ATOM 1326 CG PHE A 87 -3.955 -14.233 1.847 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.181 -13.340 1.174 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.543 -15.522 1.985 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -1.942 -13.753 0.615 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.305 -15.935 1.426 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.531 -15.042 0.754 1.00 0.00 C ATOM 0 H PHE A 87 -4.013 -13.224 4.404 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.006 -11.634 2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.556 -14.466 3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.067 -13.879 1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.508 -12.317 1.064 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.158 -16.231 2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.327 -13.044 0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.978 -16.959 1.535 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.589 -15.356 0.330 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.589 -11.825 2.519 1.00 0.00 N ATOM 1342 CA GLY A 88 -8.965 -11.485 2.840 1.00 0.00 C ATOM 1343 C GLY A 88 -9.026 -10.295 3.799 1.00 0.00 C ATOM 1344 O GLY A 88 -9.912 -10.223 4.649 1.00 0.00 O ATOM 0 H GLY A 88 -7.393 -11.912 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.508 -11.247 1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.460 -12.345 3.290 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.072 -9.391 3.632 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.006 -8.207 4.472 1.00 0.00 C ATOM 1350 C LYS A 89 -7.804 -6.972 3.592 1.00 0.00 C ATOM 1351 O LYS A 89 -7.686 -7.087 2.373 1.00 0.00 O ATOM 1352 CB LYS A 89 -6.934 -8.376 5.551 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.459 -9.213 6.720 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.473 -8.398 8.015 1.00 0.00 C ATOM 1355 CE LYS A 89 -8.011 -9.231 9.180 1.00 0.00 C ATOM 1356 NZ LYS A 89 -8.041 -8.426 10.422 1.00 0.00 N ATOM 0 H LYS A 89 -7.338 -9.455 2.927 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.945 -8.066 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.054 -8.855 5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.619 -7.397 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.466 -9.565 6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.834 -10.097 6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.464 -8.055 8.244 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.090 -7.509 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.014 -9.588 8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.385 -10.111 9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.409 -9.006 11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.078 -8.106 10.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.657 -7.599 10.285 1.00 0.00 H new ATOM 1370 N THR A 90 -7.769 -5.820 4.245 1.00 0.00 N ATOM 1371 CA THR A 90 -7.583 -4.564 3.537 1.00 0.00 C ATOM 1372 C THR A 90 -6.517 -3.714 4.229 1.00 0.00 C ATOM 1373 O THR A 90 -6.567 -3.516 5.442 1.00 0.00 O ATOM 1374 CB THR A 90 -8.944 -3.871 3.439 1.00 0.00 C ATOM 1375 OG1 THR A 90 -9.723 -4.748 2.631 1.00 0.00 O ATOM 1376 CG2 THR A 90 -8.883 -2.574 2.629 1.00 0.00 C ATOM 0 H THR A 90 -7.866 -5.729 5.256 1.00 0.00 H new ATOM 0 HA THR A 90 -7.213 -4.731 2.525 1.00 0.00 H new ATOM 0 HB THR A 90 -9.315 -3.656 4.441 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.622 -4.376 2.517 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.874 -2.122 2.590 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.187 -1.882 3.103 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.544 -2.793 1.616 1.00 0.00 H new ATOM 1384 N THR A 91 -5.576 -3.235 3.429 1.00 0.00 N ATOM 1385 CA THR A 91 -4.499 -2.411 3.950 1.00 0.00 C ATOM 1386 C THR A 91 -4.620 -0.979 3.424 1.00 0.00 C ATOM 1387 O THR A 91 -5.210 -0.750 2.369 1.00 0.00 O ATOM 1388 CB THR A 91 -3.172 -3.081 3.587 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.128 -4.237 4.419 1.00 0.00 O ATOM 1390 CG2 THR A 91 -1.960 -2.258 4.028 1.00 0.00 C ATOM 0 H THR A 91 -5.537 -3.402 2.423 1.00 0.00 H new ATOM 0 HA THR A 91 -4.553 -2.331 5.036 1.00 0.00 H new ATOM 0 HB THR A 91 -3.129 -3.241 2.510 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.300 -4.732 4.247 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.045 -2.779 3.746 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.987 -1.282 3.543 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.984 -2.126 5.110 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.052 -0.054 4.183 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.089 1.349 3.807 1.00 0.00 C ATOM 1400 C VAL A 92 -2.736 1.751 3.217 1.00 0.00 C ATOM 1401 O VAL A 92 -1.701 1.589 3.862 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.494 2.203 5.010 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.332 3.694 4.703 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -5.925 1.887 5.450 1.00 0.00 C ATOM 0 H VAL A 92 -3.563 -0.249 5.057 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.842 1.518 3.037 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.827 1.956 5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.627 4.279 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.290 3.904 4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.964 3.962 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.188 2.508 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.612 2.092 4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.996 0.836 5.728 1.00 0.00 H new ATOM 1414 N MET A 93 -2.787 2.267 1.998 1.00 0.00 N ATOM 1415 CA MET A 93 -1.578 2.693 1.314 1.00 0.00 C ATOM 1416 C MET A 93 -1.810 3.999 0.552 1.00 0.00 C ATOM 1417 O MET A 93 -2.879 4.207 -0.019 1.00 0.00 O ATOM 1418 CB MET A 93 -1.134 1.603 0.336 1.00 0.00 C ATOM 1419 CG MET A 93 -0.655 0.357 1.083 1.00 0.00 C ATOM 1420 SD MET A 93 0.228 -0.722 -0.031 1.00 0.00 S ATOM 1421 CE MET A 93 0.837 -1.934 1.129 1.00 0.00 C ATOM 0 H MET A 93 -3.647 2.400 1.466 1.00 0.00 H new ATOM 0 HA MET A 93 -0.802 2.863 2.060 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.962 1.341 -0.322 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.332 1.982 -0.297 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.008 0.646 1.911 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.507 -0.169 1.513 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.723 -2.418 0.718 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.094 -1.442 2.067 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.066 -2.683 1.311 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.790 4.845 0.569 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.870 6.126 -0.113 1.00 0.00 C ATOM 1433 C HIS A 94 0.018 6.100 -1.359 1.00 0.00 C ATOM 1434 O HIS A 94 1.006 5.369 -1.406 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.522 7.271 0.839 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.685 7.751 1.674 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.188 7.031 2.743 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.438 8.885 1.586 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -3.198 7.709 3.267 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.352 8.858 2.548 1.00 0.00 N ATOM 0 H HIS A 94 0.095 4.669 1.044 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.894 6.303 -0.442 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.279 6.947 1.503 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.135 8.108 0.258 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.312 9.672 0.857 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.795 7.406 4.114 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -4.054 9.578 2.721 1.00 0.00 H new