USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 ASN : amide:sc= -3.54! C(o=-3.5!,f=-4.7!) USER MOD Single : A 17 GLN : amide:sc= -1.74 K(o=-1.7,f=-4.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0781 X(o=-0.078,f=-0.072) USER MOD Single : A 48 ASN : amide:sc= -0.218 K(o=-0.22,f=-0.93) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0351) USER MOD Single : A 54 TYR OH : rot -80:sc= -0.105 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.812! C(o=-0.81!,f=-1!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 150:sc= -0.274 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 8:sc= 0.195 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -5.255 18.931 10.602 1.00 0.00 N ATOM 145 CA LEU A 13 -4.465 18.459 9.477 1.00 0.00 C ATOM 146 C LEU A 13 -5.326 17.549 8.600 1.00 0.00 C ATOM 147 O LEU A 13 -6.179 16.820 9.105 1.00 0.00 O ATOM 148 CB LEU A 13 -3.175 17.799 9.969 1.00 0.00 C ATOM 149 CG LEU A 13 -2.074 18.750 10.443 1.00 0.00 C ATOM 150 CD1 LEU A 13 -1.488 18.286 11.779 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.995 18.918 9.372 1.00 0.00 C ATOM 0 HA LEU A 13 -4.150 19.296 8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.425 17.126 10.789 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.775 17.184 9.163 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.518 19.732 10.608 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.708 18.979 12.094 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.276 18.260 12.532 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.063 17.289 11.663 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.225 19.599 9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.548 17.949 9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.442 19.326 8.466 1.00 0.00 H new ATOM 163 N PRO A 14 -5.067 17.622 7.267 1.00 0.00 N ATOM 164 CA PRO A 14 -5.809 16.813 6.315 1.00 0.00 C ATOM 165 C PRO A 14 -5.350 15.354 6.360 1.00 0.00 C ATOM 166 O PRO A 14 -4.180 15.076 6.619 1.00 0.00 O ATOM 167 CB PRO A 14 -5.566 17.471 4.967 1.00 0.00 C ATOM 168 CG PRO A 14 -4.332 18.340 5.143 1.00 0.00 C ATOM 169 CD PRO A 14 -4.065 18.473 6.634 1.00 0.00 C ATOM 0 HA PRO A 14 -6.875 16.773 6.537 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.409 16.723 4.190 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.425 18.070 4.664 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.475 17.892 4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.488 19.321 4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.055 18.150 6.886 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.160 19.508 6.963 1.00 0.00 H new ATOM 177 N ASN A 15 -6.295 14.461 6.103 1.00 0.00 N ATOM 178 CA ASN A 15 -6.001 13.038 6.111 1.00 0.00 C ATOM 179 C ASN A 15 -7.101 12.291 5.354 1.00 0.00 C ATOM 180 O ASN A 15 -8.276 12.643 5.452 1.00 0.00 O ATOM 181 CB ASN A 15 -5.957 12.493 7.540 1.00 0.00 C ATOM 182 CG ASN A 15 -5.522 13.577 8.527 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.348 13.868 8.693 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.530 14.158 9.172 1.00 0.00 N ATOM 0 H ASN A 15 -7.264 14.695 5.888 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.030 12.891 5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.941 12.115 7.819 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.266 11.651 7.591 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.343 14.894 9.853 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.490 13.867 8.986 1.00 0.00 H new ATOM 191 N ARG A 16 -6.682 11.275 4.616 1.00 0.00 N ATOM 192 CA ARG A 16 -7.617 10.475 3.842 1.00 0.00 C ATOM 193 C ARG A 16 -7.130 9.027 3.753 1.00 0.00 C ATOM 194 O ARG A 16 -5.963 8.778 3.455 1.00 0.00 O ATOM 195 CB ARG A 16 -7.785 11.037 2.429 1.00 0.00 C ATOM 196 CG ARG A 16 -9.077 10.529 1.787 1.00 0.00 C ATOM 197 CD ARG A 16 -10.302 11.192 2.421 1.00 0.00 C ATOM 198 NE ARG A 16 -10.600 12.468 1.732 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.732 13.166 1.900 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.678 12.716 2.736 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.916 14.313 1.234 1.00 0.00 N ATOM 0 H ARG A 16 -5.707 10.986 4.537 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.581 10.507 4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.797 12.126 2.466 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.932 10.748 1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.061 10.735 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.144 9.447 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.161 10.525 2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.120 11.375 3.480 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.900 12.839 1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.536 11.843 3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.540 13.247 2.864 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.195 14.655 0.599 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.777 14.844 1.362 1.00 0.00 H new ATOM 215 N GLN A 17 -8.049 8.110 4.017 1.00 0.00 N ATOM 216 CA GLN A 17 -7.728 6.694 3.971 1.00 0.00 C ATOM 217 C GLN A 17 -8.785 5.936 3.164 1.00 0.00 C ATOM 218 O GLN A 17 -9.965 5.956 3.509 1.00 0.00 O ATOM 219 CB GLN A 17 -7.595 6.115 5.381 1.00 0.00 C ATOM 220 CG GLN A 17 -8.969 5.812 5.981 1.00 0.00 C ATOM 221 CD GLN A 17 -8.896 5.735 7.507 1.00 0.00 C ATOM 222 OE1 GLN A 17 -7.960 5.206 8.084 1.00 0.00 O ATOM 223 NE2 GLN A 17 -9.933 6.292 8.127 1.00 0.00 N ATOM 0 H GLN A 17 -9.016 8.320 4.264 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.765 6.576 3.474 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.999 5.203 5.349 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.063 6.821 6.019 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.677 6.586 5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.344 4.869 5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.684 6.718 7.583 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.977 6.293 9.146 1.00 0.00 H new ATOM 232 N LEU A 18 -8.322 5.287 2.106 1.00 0.00 N ATOM 233 CA LEU A 18 -9.213 4.525 1.248 1.00 0.00 C ATOM 234 C LEU A 18 -9.142 3.045 1.632 1.00 0.00 C ATOM 235 O LEU A 18 -8.210 2.621 2.313 1.00 0.00 O ATOM 236 CB LEU A 18 -8.898 4.793 -0.225 1.00 0.00 C ATOM 237 CG LEU A 18 -8.408 6.203 -0.560 1.00 0.00 C ATOM 238 CD1 LEU A 18 -9.313 7.262 0.072 1.00 0.00 C ATOM 239 CD2 LEU A 18 -6.944 6.385 -0.156 1.00 0.00 C ATOM 0 H LEU A 18 -7.342 5.273 1.824 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.245 4.844 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.140 4.080 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.796 4.593 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.462 6.336 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.943 8.255 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.328 7.146 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.314 7.141 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.621 7.396 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.840 6.225 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.326 5.664 -0.692 1.00 0.00 H new ATOM 251 N LYS A 19 -10.140 2.301 1.180 1.00 0.00 N ATOM 252 CA LYS A 19 -10.203 0.878 1.468 1.00 0.00 C ATOM 253 C LYS A 19 -9.977 0.090 0.176 1.00 0.00 C ATOM 254 O LYS A 19 -10.792 0.151 -0.743 1.00 0.00 O ATOM 255 CB LYS A 19 -11.513 0.532 2.178 1.00 0.00 C ATOM 256 CG LYS A 19 -12.710 0.724 1.244 1.00 0.00 C ATOM 257 CD LYS A 19 -13.006 -0.556 0.461 1.00 0.00 C ATOM 258 CE LYS A 19 -14.411 -1.077 0.773 1.00 0.00 C ATOM 259 NZ LYS A 19 -15.325 -0.811 -0.360 1.00 0.00 N ATOM 0 H LYS A 19 -10.912 2.657 0.616 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.409 0.594 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.481 -0.500 2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.630 1.162 3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.587 1.010 1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.507 1.540 0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.915 -0.362 -0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.268 -1.318 0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.372 -2.148 0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.791 -0.598 1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.274 -1.171 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.375 0.213 -0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.969 -1.289 -1.213 1.00 0.00 H new ATOM 273 N VAL A 20 -8.866 -0.632 0.148 1.00 0.00 N ATOM 274 CA VAL A 20 -8.523 -1.431 -1.016 1.00 0.00 C ATOM 275 C VAL A 20 -9.101 -2.838 -0.852 1.00 0.00 C ATOM 276 O VAL A 20 -8.673 -3.591 0.020 1.00 0.00 O ATOM 277 CB VAL A 20 -7.007 -1.429 -1.224 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.619 -2.272 -2.441 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.474 0.000 -1.354 1.00 0.00 C ATOM 0 H VAL A 20 -8.192 -0.680 0.912 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.962 -1.002 -1.916 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.547 -1.880 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.536 -2.254 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.950 -3.300 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.094 -1.864 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.394 -0.026 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.945 0.488 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.703 0.558 -0.446 1.00 0.00 H new ATOM 289 N LYS A 21 -10.066 -3.150 -1.705 1.00 0.00 N ATOM 290 CA LYS A 21 -10.708 -4.453 -1.666 1.00 0.00 C ATOM 291 C LYS A 21 -9.790 -5.488 -2.320 1.00 0.00 C ATOM 292 O LYS A 21 -9.851 -5.700 -3.530 1.00 0.00 O ATOM 293 CB LYS A 21 -12.102 -4.383 -2.293 1.00 0.00 C ATOM 294 CG LYS A 21 -13.188 -4.375 -1.216 1.00 0.00 C ATOM 295 CD LYS A 21 -14.580 -4.490 -1.840 1.00 0.00 C ATOM 296 CE LYS A 21 -15.606 -4.962 -0.808 1.00 0.00 C ATOM 297 NZ LYS A 21 -16.979 -4.840 -1.348 1.00 0.00 N ATOM 0 H LYS A 21 -10.419 -2.522 -2.428 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.864 -4.771 -0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.185 -3.485 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.249 -5.235 -2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.026 -5.202 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.121 -3.456 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.883 -3.524 -2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.551 -5.189 -2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.407 -5.999 -0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.513 -4.370 0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.663 -5.165 -0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.172 -3.846 -1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.068 -5.424 -2.204 1.00 0.00 H new ATOM 311 N VAL A 22 -8.962 -6.106 -1.490 1.00 0.00 N ATOM 312 CA VAL A 22 -8.033 -7.114 -1.973 1.00 0.00 C ATOM 313 C VAL A 22 -8.754 -8.460 -2.070 1.00 0.00 C ATOM 314 O VAL A 22 -9.983 -8.513 -2.052 1.00 0.00 O ATOM 315 CB VAL A 22 -6.798 -7.161 -1.071 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.173 -5.772 -0.924 1.00 0.00 C ATOM 317 CG2 VAL A 22 -7.139 -7.757 0.296 1.00 0.00 C ATOM 0 H VAL A 22 -8.915 -5.928 -0.487 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.680 -6.861 -2.973 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.062 -7.811 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.297 -5.834 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.875 -5.401 -1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.901 -5.090 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.244 -7.779 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.901 -7.146 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.516 -8.772 0.167 1.00 0.00 H new ATOM 643 N GLN A 44 6.890 0.221 -0.648 1.00 0.00 N ATOM 644 CA GLN A 44 7.424 1.231 0.250 1.00 0.00 C ATOM 645 C GLN A 44 8.205 2.283 -0.540 1.00 0.00 C ATOM 646 O GLN A 44 7.977 3.481 -0.379 1.00 0.00 O ATOM 647 CB GLN A 44 8.299 0.596 1.332 1.00 0.00 C ATOM 648 CG GLN A 44 8.523 1.564 2.495 1.00 0.00 C ATOM 649 CD GLN A 44 7.298 1.614 3.410 1.00 0.00 C ATOM 650 OE1 GLN A 44 6.545 2.574 3.430 1.00 0.00 O ATOM 651 NE2 GLN A 44 7.141 0.530 4.164 1.00 0.00 N ATOM 0 HA GLN A 44 6.589 1.724 0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.826 -0.315 1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.259 0.307 0.905 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.397 1.254 3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.733 2.561 2.108 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.809 -0.238 4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.353 0.467 4.808 1.00 0.00 H new ATOM 660 N GLU A 45 9.111 1.797 -1.376 1.00 0.00 N ATOM 661 CA GLU A 45 9.927 2.681 -2.191 1.00 0.00 C ATOM 662 C GLU A 45 9.038 3.612 -3.018 1.00 0.00 C ATOM 663 O GLU A 45 9.137 4.833 -2.905 1.00 0.00 O ATOM 664 CB GLU A 45 10.870 1.881 -3.091 1.00 0.00 C ATOM 665 CG GLU A 45 12.196 1.596 -2.382 1.00 0.00 C ATOM 666 CD GLU A 45 13.383 1.869 -3.308 1.00 0.00 C ATOM 667 OE1 GLU A 45 13.199 1.697 -4.532 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.447 2.244 -2.771 1.00 0.00 O ATOM 0 H GLU A 45 9.298 0.803 -1.506 1.00 0.00 H new ATOM 0 HA GLU A 45 10.541 3.291 -1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.397 0.941 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.057 2.435 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.276 2.217 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.220 0.558 -2.051 1.00 0.00 H new ATOM 675 N ALA A 46 8.190 3.000 -3.831 1.00 0.00 N ATOM 676 CA ALA A 46 7.284 3.759 -4.677 1.00 0.00 C ATOM 677 C ALA A 46 6.690 4.916 -3.871 1.00 0.00 C ATOM 678 O ALA A 46 7.046 6.074 -4.086 1.00 0.00 O ATOM 679 CB ALA A 46 6.209 2.827 -5.239 1.00 0.00 C ATOM 0 H ALA A 46 8.111 1.987 -3.922 1.00 0.00 H new ATOM 0 HA ALA A 46 7.819 4.188 -5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.530 3.396 -5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.681 2.040 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.649 2.380 -4.417 1.00 0.00 H new ATOM 685 N ILE A 47 5.794 4.562 -2.961 1.00 0.00 N ATOM 686 CA ILE A 47 5.147 5.557 -2.122 1.00 0.00 C ATOM 687 C ILE A 47 6.213 6.446 -1.479 1.00 0.00 C ATOM 688 O ILE A 47 6.113 7.671 -1.522 1.00 0.00 O ATOM 689 CB ILE A 47 4.217 4.882 -1.112 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.061 4.173 -1.820 1.00 0.00 C ATOM 691 CG2 ILE A 47 3.721 5.885 -0.069 1.00 0.00 C ATOM 692 CD1 ILE A 47 2.677 2.885 -1.089 1.00 0.00 C ATOM 0 H ILE A 47 5.501 3.601 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 47 4.510 6.207 -2.722 1.00 0.00 H new ATOM 0 HB ILE A 47 4.786 4.119 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.199 4.838 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.346 3.942 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.062 5.380 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.573 6.304 0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.174 6.686 -0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.853 2.401 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.535 2.213 -1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.370 3.122 -0.071 1.00 0.00 H new ATOM 704 N ASN A 48 7.209 5.795 -0.896 1.00 0.00 N ATOM 705 CA ASN A 48 8.292 6.511 -0.244 1.00 0.00 C ATOM 706 C ASN A 48 8.819 7.595 -1.185 1.00 0.00 C ATOM 707 O ASN A 48 9.205 8.675 -0.740 1.00 0.00 O ATOM 708 CB ASN A 48 9.451 5.570 0.091 1.00 0.00 C ATOM 709 CG ASN A 48 10.727 6.359 0.395 1.00 0.00 C ATOM 710 OD1 ASN A 48 10.708 7.396 1.037 1.00 0.00 O ATOM 711 ND2 ASN A 48 11.832 5.811 -0.101 1.00 0.00 N ATOM 0 H ASN A 48 7.289 4.779 -0.862 1.00 0.00 H new ATOM 0 HA ASN A 48 7.903 6.946 0.677 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.187 4.953 0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.628 4.893 -0.745 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.735 6.261 0.047 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.777 4.940 -0.630 1.00 0.00 H new ATOM 718 N ASP A 49 8.820 7.270 -2.470 1.00 0.00 N ATOM 719 CA ASP A 49 9.294 8.204 -3.478 1.00 0.00 C ATOM 720 C ASP A 49 8.278 9.337 -3.636 1.00 0.00 C ATOM 721 O ASP A 49 8.653 10.505 -3.719 1.00 0.00 O ATOM 722 CB ASP A 49 9.449 7.516 -4.835 1.00 0.00 C ATOM 723 CG ASP A 49 10.455 8.173 -5.782 1.00 0.00 C ATOM 724 OD1 ASP A 49 10.098 9.231 -6.343 1.00 0.00 O ATOM 725 OD2 ASP A 49 11.559 7.603 -5.923 1.00 0.00 O ATOM 0 H ASP A 49 8.500 6.373 -2.836 1.00 0.00 H new ATOM 0 HA ASP A 49 10.262 8.587 -3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.751 6.482 -4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.476 7.489 -5.325 1.00 0.00 H new ATOM 730 N LEU A 50 7.010 8.951 -3.672 1.00 0.00 N ATOM 731 CA LEU A 50 5.938 9.920 -3.818 1.00 0.00 C ATOM 732 C LEU A 50 5.884 10.808 -2.573 1.00 0.00 C ATOM 733 O LEU A 50 5.743 12.025 -2.680 1.00 0.00 O ATOM 734 CB LEU A 50 4.616 9.214 -4.127 1.00 0.00 C ATOM 735 CG LEU A 50 4.269 9.059 -5.609 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.418 7.810 -5.845 1.00 0.00 C ATOM 737 CD2 LEU A 50 3.595 10.322 -6.149 1.00 0.00 C ATOM 0 H LEU A 50 6.702 7.981 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 50 6.130 10.574 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.642 8.223 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.811 9.765 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 50 5.197 8.926 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.185 7.723 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.970 6.927 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.492 7.888 -5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.359 10.186 -7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.677 10.510 -5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.269 11.171 -6.035 1.00 0.00 H new ATOM 749 N VAL A 51 6.000 10.164 -1.421 1.00 0.00 N ATOM 750 CA VAL A 51 5.967 10.879 -0.157 1.00 0.00 C ATOM 751 C VAL A 51 6.988 12.018 -0.193 1.00 0.00 C ATOM 752 O VAL A 51 6.842 13.011 0.518 1.00 0.00 O ATOM 753 CB VAL A 51 6.197 9.906 1.001 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.386 10.659 2.320 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.053 8.897 1.105 1.00 0.00 C ATOM 0 H VAL A 51 6.117 9.154 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 51 4.986 11.327 0.003 1.00 0.00 H new ATOM 0 HB VAL A 51 7.114 9.353 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.548 9.944 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.250 11.319 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.495 11.250 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.242 8.217 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.115 9.426 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.985 8.327 0.178 1.00 0.00 H new ATOM 765 N LYS A 52 8.000 11.836 -1.029 1.00 0.00 N ATOM 766 CA LYS A 52 9.045 12.836 -1.168 1.00 0.00 C ATOM 767 C LYS A 52 8.569 13.938 -2.116 1.00 0.00 C ATOM 768 O LYS A 52 8.870 15.112 -1.910 1.00 0.00 O ATOM 769 CB LYS A 52 10.360 12.181 -1.597 1.00 0.00 C ATOM 770 CG LYS A 52 10.967 11.368 -0.452 1.00 0.00 C ATOM 771 CD LYS A 52 12.481 11.570 -0.378 1.00 0.00 C ATOM 772 CE LYS A 52 13.111 10.631 0.653 1.00 0.00 C ATOM 773 NZ LYS A 52 13.886 9.566 -0.022 1.00 0.00 N ATOM 0 H LYS A 52 8.118 11.011 -1.617 1.00 0.00 H new ATOM 0 HA LYS A 52 9.249 13.309 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.184 11.532 -2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.065 12.948 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.510 11.666 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.744 10.311 -0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.924 11.389 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.701 12.605 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.763 11.197 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.332 10.186 1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.307 8.937 0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.255 9.016 -0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.641 9.995 -0.594 1.00 0.00 H new ATOM 787 N LYS A 53 7.832 13.520 -3.135 1.00 0.00 N ATOM 788 CA LYS A 53 7.311 14.456 -4.116 1.00 0.00 C ATOM 789 C LYS A 53 6.510 15.545 -3.399 1.00 0.00 C ATOM 790 O LYS A 53 6.686 16.732 -3.672 1.00 0.00 O ATOM 791 CB LYS A 53 6.515 13.716 -5.193 1.00 0.00 C ATOM 792 CG LYS A 53 7.449 12.965 -6.145 1.00 0.00 C ATOM 793 CD LYS A 53 6.655 12.066 -7.095 1.00 0.00 C ATOM 794 CE LYS A 53 5.389 12.771 -7.586 1.00 0.00 C ATOM 795 NZ LYS A 53 4.865 12.108 -8.801 1.00 0.00 N ATOM 0 H LYS A 53 7.583 12.545 -3.302 1.00 0.00 H new ATOM 0 HA LYS A 53 8.128 14.952 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.827 13.013 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.910 14.427 -5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.038 13.679 -6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.152 12.362 -5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.277 11.792 -7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.386 11.140 -6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.631 12.759 -6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.608 13.817 -7.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.953 12.533 -9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.541 12.230 -9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.733 11.094 -8.613 1.00 0.00 H new ATOM 809 N TYR A 54 5.647 15.103 -2.496 1.00 0.00 N ATOM 810 CA TYR A 54 4.819 16.026 -1.739 1.00 0.00 C ATOM 811 C TYR A 54 5.527 16.474 -0.459 1.00 0.00 C ATOM 812 O TYR A 54 6.451 15.810 0.009 1.00 0.00 O ATOM 813 CB TYR A 54 3.556 15.247 -1.363 1.00 0.00 C ATOM 814 CG TYR A 54 2.811 14.654 -2.560 1.00 0.00 C ATOM 815 CD1 TYR A 54 1.956 15.444 -3.302 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.994 13.329 -2.899 1.00 0.00 C ATOM 817 CE1 TYR A 54 1.255 14.886 -4.429 1.00 0.00 C ATOM 818 CE2 TYR A 54 2.293 12.770 -4.026 1.00 0.00 C ATOM 819 CZ TYR A 54 1.458 13.577 -4.735 1.00 0.00 C ATOM 820 OH TYR A 54 0.796 13.049 -5.800 1.00 0.00 O ATOM 0 H TYR A 54 5.503 14.118 -2.272 1.00 0.00 H new ATOM 0 HA TYR A 54 4.601 16.918 -2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.828 14.441 -0.682 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.881 15.909 -0.820 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.813 16.481 -3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.663 12.711 -2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.583 15.493 -5.018 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.427 11.734 -4.302 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.123 12.830 -5.538 1.00 0.00 H new ATOM 830 N THR A 55 5.067 17.598 0.072 1.00 0.00 N ATOM 831 CA THR A 55 5.645 18.143 1.288 1.00 0.00 C ATOM 832 C THR A 55 4.910 17.602 2.516 1.00 0.00 C ATOM 833 O THR A 55 3.687 17.474 2.506 1.00 0.00 O ATOM 834 CB THR A 55 5.613 19.669 1.185 1.00 0.00 C ATOM 835 OG1 THR A 55 6.913 20.012 0.712 1.00 0.00 O ATOM 836 CG2 THR A 55 5.523 20.347 2.553 1.00 0.00 C ATOM 0 H THR A 55 4.300 18.146 -0.318 1.00 0.00 H new ATOM 0 HA THR A 55 6.683 17.833 1.406 1.00 0.00 H new ATOM 0 HB THR A 55 4.764 19.974 0.573 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.980 20.985 0.615 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.503 21.429 2.422 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.612 20.026 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.389 20.070 3.154 1.00 0.00 H new ATOM 844 N LEU A 56 5.688 17.299 3.545 1.00 0.00 N ATOM 845 CA LEU A 56 5.126 16.774 4.779 1.00 0.00 C ATOM 846 C LEU A 56 4.144 15.648 4.449 1.00 0.00 C ATOM 847 O LEU A 56 3.046 15.596 5.001 1.00 0.00 O ATOM 848 CB LEU A 56 4.512 17.902 5.610 1.00 0.00 C ATOM 849 CG LEU A 56 5.467 18.639 6.551 1.00 0.00 C ATOM 850 CD1 LEU A 56 6.325 17.652 7.345 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.320 19.652 5.783 1.00 0.00 C ATOM 0 H LEU A 56 6.702 17.407 3.550 1.00 0.00 H new ATOM 0 HA LEU A 56 5.910 16.341 5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.071 18.630 4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.697 17.487 6.203 1.00 0.00 H new ATOM 0 HG LEU A 56 4.872 19.200 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.995 18.202 8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.680 17.005 7.939 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.913 17.045 6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.990 20.162 6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.907 19.133 5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.671 20.383 5.301 1.00 0.00 H new ATOM 863 N ALA A 57 4.575 14.775 3.550 1.00 0.00 N ATOM 864 CA ALA A 57 3.748 13.653 3.140 1.00 0.00 C ATOM 865 C ALA A 57 4.121 12.421 3.966 1.00 0.00 C ATOM 866 O ALA A 57 5.252 12.304 4.437 1.00 0.00 O ATOM 867 CB ALA A 57 3.912 13.420 1.637 1.00 0.00 C ATOM 0 H ALA A 57 5.486 14.822 3.094 1.00 0.00 H new ATOM 0 HA ALA A 57 2.695 13.865 3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.292 12.578 1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.605 14.314 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.956 13.201 1.415 1.00 0.00 H new ATOM 873 N ARG A 58 3.150 11.532 4.117 1.00 0.00 N ATOM 874 CA ARG A 58 3.363 10.313 4.878 1.00 0.00 C ATOM 875 C ARG A 58 2.265 9.294 4.565 1.00 0.00 C ATOM 876 O ARG A 58 1.080 9.592 4.700 1.00 0.00 O ATOM 877 CB ARG A 58 3.373 10.596 6.382 1.00 0.00 C ATOM 878 CG ARG A 58 4.768 10.379 6.971 1.00 0.00 C ATOM 879 CD ARG A 58 4.790 10.715 8.464 1.00 0.00 C ATOM 880 NE ARG A 58 6.177 10.652 8.976 1.00 0.00 N ATOM 881 CZ ARG A 58 6.495 10.499 10.269 1.00 0.00 C ATOM 882 NH1 ARG A 58 5.526 10.391 11.188 1.00 0.00 N ATOM 883 NH2 ARG A 58 7.781 10.453 10.642 1.00 0.00 N ATOM 0 H ARG A 58 2.214 11.632 3.725 1.00 0.00 H new ATOM 0 HA ARG A 58 4.333 9.908 4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.053 11.622 6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.657 9.944 6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.072 9.343 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.491 11.002 6.444 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.378 11.711 8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.159 10.015 9.012 1.00 0.00 H new ATOM 0 HE ARG A 58 6.939 10.730 8.302 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.547 10.425 10.903 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.767 10.275 12.172 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.518 10.534 9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.023 10.337 11.626 1.00 0.00 H new ATOM 897 N ALA A 59 2.700 8.111 4.154 1.00 0.00 N ATOM 898 CA ALA A 59 1.769 7.047 3.822 1.00 0.00 C ATOM 899 C ALA A 59 2.077 5.819 4.681 1.00 0.00 C ATOM 900 O ALA A 59 3.158 5.716 5.258 1.00 0.00 O ATOM 901 CB ALA A 59 1.852 6.745 2.324 1.00 0.00 C ATOM 0 H ALA A 59 3.684 7.867 4.044 1.00 0.00 H new ATOM 0 HA ALA A 59 0.745 7.352 4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.153 5.946 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.597 7.641 1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.865 6.433 2.071 1.00 0.00 H new ATOM 907 N PHE A 60 1.106 4.919 4.740 1.00 0.00 N ATOM 908 CA PHE A 60 1.260 3.702 5.519 1.00 0.00 C ATOM 909 C PHE A 60 0.311 2.609 5.023 1.00 0.00 C ATOM 910 O PHE A 60 -0.489 2.841 4.117 1.00 0.00 O ATOM 911 CB PHE A 60 0.906 4.050 6.966 1.00 0.00 C ATOM 912 CG PHE A 60 2.013 4.793 7.716 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.308 4.396 7.585 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.704 5.849 8.515 1.00 0.00 C ATOM 915 CE1 PHE A 60 4.335 5.086 8.281 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.731 6.539 9.211 1.00 0.00 C ATOM 917 CZ PHE A 60 4.026 6.142 9.079 1.00 0.00 C ATOM 0 H PHE A 60 0.210 5.008 4.261 1.00 0.00 H new ATOM 0 HA PHE A 60 2.280 3.329 5.428 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.004 4.662 6.971 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.671 3.131 7.503 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.554 3.556 6.952 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.676 6.163 8.620 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.363 4.772 8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.485 7.378 9.845 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.808 6.666 9.608 1.00 0.00 H new ATOM 927 N VAL A 61 0.430 1.442 5.638 1.00 0.00 N ATOM 928 CA VAL A 61 -0.407 0.313 5.270 1.00 0.00 C ATOM 929 C VAL A 61 -0.904 -0.382 6.539 1.00 0.00 C ATOM 930 O VAL A 61 -0.134 -0.605 7.472 1.00 0.00 O ATOM 931 CB VAL A 61 0.360 -0.625 4.336 1.00 0.00 C ATOM 932 CG1 VAL A 61 0.226 -0.178 2.879 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.831 -0.725 4.746 1.00 0.00 C ATOM 0 H VAL A 61 1.094 1.254 6.389 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.285 0.652 4.719 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.080 -1.618 4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.780 -0.862 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.826 -0.183 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.628 0.829 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.353 -1.398 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.289 0.263 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.900 -1.112 5.763 1.00 0.00 H new ATOM 1059 N VAL A 70 -8.474 -3.871 2.738 1.00 0.00 N ATOM 1060 CA VAL A 70 -7.248 -3.249 3.208 1.00 0.00 C ATOM 1061 C VAL A 70 -7.487 -1.751 3.413 1.00 0.00 C ATOM 1062 O VAL A 70 -8.139 -1.105 2.594 1.00 0.00 O ATOM 1063 CB VAL A 70 -6.105 -3.544 2.234 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -5.003 -2.488 2.346 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -5.542 -4.949 2.458 1.00 0.00 C ATOM 0 HA VAL A 70 -6.953 -3.666 4.171 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.508 -3.502 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.203 -2.721 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.415 -1.506 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.605 -2.484 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.731 -5.133 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.163 -5.031 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.331 -5.686 2.304 1.00 0.00 H new ATOM 1075 N ARG A 71 -6.945 -1.243 4.510 1.00 0.00 N ATOM 1076 CA ARG A 71 -7.091 0.166 4.833 1.00 0.00 C ATOM 1077 C ARG A 71 -5.799 0.920 4.515 1.00 0.00 C ATOM 1078 O ARG A 71 -4.779 0.716 5.171 1.00 0.00 O ATOM 1079 CB ARG A 71 -7.436 0.359 6.312 1.00 0.00 C ATOM 1080 CG ARG A 71 -7.040 1.758 6.788 1.00 0.00 C ATOM 1081 CD ARG A 71 -7.462 1.982 8.242 1.00 0.00 C ATOM 1082 NE ARG A 71 -8.935 1.905 8.359 1.00 0.00 N ATOM 1083 CZ ARG A 71 -9.594 1.846 9.524 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -8.915 1.855 10.679 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -10.932 1.777 9.535 1.00 0.00 N ATOM 0 H ARG A 71 -6.404 -1.782 5.186 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.905 0.563 4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.505 0.209 6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.921 -0.392 6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.962 1.886 6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.507 2.509 6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.998 1.233 8.883 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.112 2.956 8.585 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.483 1.896 7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.896 1.907 10.671 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.417 1.810 11.566 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.450 1.769 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.433 1.732 10.422 1.00 0.00 H new ATOM 1099 N VAL A 72 -5.885 1.777 3.507 1.00 0.00 N ATOM 1100 CA VAL A 72 -4.735 2.563 3.094 1.00 0.00 C ATOM 1101 C VAL A 72 -4.816 3.951 3.731 1.00 0.00 C ATOM 1102 O VAL A 72 -5.817 4.650 3.581 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.655 2.610 1.566 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -3.916 3.864 1.094 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -3.996 1.344 1.013 1.00 0.00 C ATOM 0 H VAL A 72 -6.733 1.944 2.965 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.811 2.100 3.441 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.673 2.655 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.873 3.873 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.444 4.751 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.903 3.863 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.951 1.402 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.986 1.255 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.581 0.472 1.306 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.748 4.311 4.429 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.686 5.603 5.089 1.00 0.00 C ATOM 1117 C TYR A 73 -2.656 6.513 4.417 1.00 0.00 C ATOM 1118 O TYR A 73 -1.595 6.053 3.998 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.240 5.322 6.525 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.899 6.225 7.570 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.271 6.220 7.718 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -3.122 7.044 8.363 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.892 7.070 8.702 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -3.743 7.893 9.346 1.00 0.00 C ATOM 1125 CZ TYR A 73 -5.097 7.864 9.467 1.00 0.00 C ATOM 1126 OH TYR A 73 -5.683 8.667 10.396 1.00 0.00 O ATOM 0 H TYR A 73 -2.919 3.730 4.551 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.653 6.105 5.042 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.462 4.282 6.766 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.158 5.440 6.588 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.879 5.579 7.097 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.048 7.048 8.246 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.965 7.076 8.829 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.147 8.539 9.973 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.993 9.177 10.869 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.005 7.789 4.335 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.124 8.768 3.721 1.00 0.00 C ATOM 1138 C ALA A 74 -2.489 10.165 4.227 1.00 0.00 C ATOM 1139 O ALA A 74 -3.667 10.486 4.377 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.218 8.656 2.198 1.00 0.00 C ATOM 0 H ALA A 74 -3.886 8.167 4.684 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.087 8.578 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.557 9.390 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.920 7.655 1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.244 8.843 1.882 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.458 10.958 4.476 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.656 12.313 4.962 1.00 0.00 C ATOM 1148 C GLU A 75 -0.729 13.282 4.225 1.00 0.00 C ATOM 1149 O GLU A 75 0.056 12.868 3.373 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.439 12.391 6.474 1.00 0.00 C ATOM 1151 CG GLU A 75 0.052 12.360 6.817 1.00 0.00 C ATOM 1152 CD GLU A 75 0.266 12.355 8.332 1.00 0.00 C ATOM 1153 OE1 GLU A 75 0.301 11.240 8.896 1.00 0.00 O ATOM 1154 OE2 GLU A 75 0.390 13.466 8.891 1.00 0.00 O ATOM 0 H GLU A 75 -0.482 10.688 4.350 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.687 12.603 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.886 13.306 6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.945 11.557 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.511 11.474 6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.548 13.226 6.379 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.850 14.552 4.579 1.00 0.00 N ATOM 1162 CA ALA A 76 -0.033 15.583 3.962 1.00 0.00 C ATOM 1163 C ALA A 76 -0.344 16.932 4.614 1.00 0.00 C ATOM 1164 O ALA A 76 -1.411 17.112 5.200 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.279 15.594 2.452 1.00 0.00 C ATOM 0 H ALA A 76 -1.502 14.891 5.286 1.00 0.00 H new ATOM 0 HA ALA A 76 1.026 15.378 4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.334 16.367 1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.015 14.623 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.331 15.800 2.256 1.00 0.00 H new ATOM 1171 N ASN A 77 0.607 17.847 4.489 1.00 0.00 N ATOM 1172 CA ASN A 77 0.447 19.174 5.058 1.00 0.00 C ATOM 1173 C ASN A 77 -0.559 19.966 4.220 1.00 0.00 C ATOM 1174 O ASN A 77 -0.931 21.081 4.582 1.00 0.00 O ATOM 1175 CB ASN A 77 1.773 19.938 5.052 1.00 0.00 C ATOM 1176 CG ASN A 77 1.556 21.415 5.388 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.939 21.768 6.380 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.096 22.255 4.510 1.00 0.00 N ATOM 0 H ASN A 77 1.490 17.695 4.002 1.00 0.00 H new ATOM 0 HA ASN A 77 0.099 19.062 6.085 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.456 19.493 5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.244 19.849 4.073 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.006 23.262 4.646 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.600 21.892 3.701 1.00 0.00 H new ATOM 1185 N SER A 78 -0.970 19.359 3.117 1.00 0.00 N ATOM 1186 CA SER A 78 -1.925 19.994 2.225 1.00 0.00 C ATOM 1187 C SER A 78 -3.172 19.118 2.086 1.00 0.00 C ATOM 1188 O SER A 78 -3.150 17.939 2.436 1.00 0.00 O ATOM 1189 CB SER A 78 -1.306 20.257 0.851 1.00 0.00 C ATOM 1190 OG SER A 78 0.015 20.782 0.953 1.00 0.00 O ATOM 0 H SER A 78 -0.659 18.434 2.820 1.00 0.00 H new ATOM 0 HA SER A 78 -2.208 20.955 2.655 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.284 19.329 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.933 20.957 0.299 1.00 0.00 H new ATOM 0 HG SER A 78 0.377 20.935 0.055 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.231 19.729 1.574 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.485 19.020 1.385 1.00 0.00 C ATOM 1198 C GLN A 79 -5.447 18.213 0.086 1.00 0.00 C ATOM 1199 O GLN A 79 -5.833 17.045 0.065 1.00 0.00 O ATOM 1200 CB GLN A 79 -6.669 19.989 1.394 1.00 0.00 C ATOM 1201 CG GLN A 79 -6.571 20.964 2.569 1.00 0.00 C ATOM 1202 CD GLN A 79 -7.610 22.080 2.443 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -7.382 23.110 1.831 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -8.761 21.818 3.057 1.00 0.00 N ATOM 0 H GLN A 79 -4.246 20.707 1.284 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.618 18.328 2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.696 20.545 0.457 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.602 19.429 1.459 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.721 20.427 3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.571 21.396 2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.886 20.935 3.552 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.519 22.500 3.033 1.00 0.00 H new ATOM 1213 N GLU A 80 -4.979 18.867 -0.967 1.00 0.00 N ATOM 1214 CA GLU A 80 -4.886 18.225 -2.267 1.00 0.00 C ATOM 1215 C GLU A 80 -4.107 16.912 -2.156 1.00 0.00 C ATOM 1216 O GLU A 80 -4.650 15.840 -2.417 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.244 19.158 -3.295 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.162 19.360 -4.502 1.00 0.00 C ATOM 1219 CD GLU A 80 -4.603 20.428 -5.444 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -3.716 20.068 -6.248 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -5.075 21.581 -5.339 1.00 0.00 O ATOM 0 H GLU A 80 -4.660 19.836 -0.946 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.895 17.998 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.029 20.121 -2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.292 18.742 -3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.274 18.418 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.155 19.653 -4.163 1.00 0.00 H new ATOM 1228 N SER A 81 -2.846 17.040 -1.768 1.00 0.00 N ATOM 1229 CA SER A 81 -1.988 15.878 -1.620 1.00 0.00 C ATOM 1230 C SER A 81 -2.648 14.855 -0.693 1.00 0.00 C ATOM 1231 O SER A 81 -2.820 13.695 -1.066 1.00 0.00 O ATOM 1232 CB SER A 81 -0.613 16.275 -1.078 1.00 0.00 C ATOM 1233 OG SER A 81 -0.396 17.681 -1.150 1.00 0.00 O ATOM 0 H SER A 81 -2.399 17.931 -1.552 1.00 0.00 H new ATOM 0 HA SER A 81 -1.846 15.430 -2.603 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.523 15.947 -0.042 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.163 15.759 -1.644 1.00 0.00 H new ATOM 0 HG SER A 81 0.198 17.958 -0.421 1.00 0.00 H new ATOM 1239 N ALA A 82 -2.998 15.321 0.497 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.636 14.461 1.479 1.00 0.00 C ATOM 1241 C ALA A 82 -4.658 13.564 0.779 1.00 0.00 C ATOM 1242 O ALA A 82 -4.883 12.429 1.196 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.268 15.320 2.576 1.00 0.00 C ATOM 0 H ALA A 82 -2.852 16.283 0.803 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.901 13.812 1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.747 14.675 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.495 15.915 3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.013 15.983 2.135 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.251 14.107 -0.274 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.245 13.370 -1.037 1.00 0.00 C ATOM 1251 C ASP A 83 -5.551 12.610 -2.169 1.00 0.00 C ATOM 1252 O ASP A 83 -5.698 11.394 -2.286 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.272 14.316 -1.662 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.666 14.262 -1.035 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -8.756 14.563 0.175 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.611 13.921 -1.779 1.00 0.00 O ATOM 0 H ASP A 83 -5.062 15.049 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.753 12.685 -0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.896 15.336 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.358 14.084 -2.724 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.811 13.357 -2.974 1.00 0.00 N ATOM 1262 CA ARG A 84 -4.095 12.769 -4.093 1.00 0.00 C ATOM 1263 C ARG A 84 -3.223 11.607 -3.613 1.00 0.00 C ATOM 1264 O ARG A 84 -3.434 10.462 -4.011 1.00 0.00 O ATOM 1265 CB ARG A 84 -3.211 13.806 -4.789 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.807 14.218 -6.137 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.876 13.833 -7.288 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.996 14.817 -8.387 1.00 0.00 N ATOM 1269 CZ ARG A 84 -4.081 14.949 -9.162 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -5.146 14.160 -8.964 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -4.101 15.869 -10.136 1.00 0.00 N ATOM 0 H ARG A 84 -4.692 14.365 -2.874 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.836 12.404 -4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.103 14.684 -4.152 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.212 13.396 -4.939 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.776 13.738 -6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.980 15.294 -6.149 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.845 13.793 -6.935 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.127 12.837 -7.652 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.203 15.433 -8.566 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.131 13.459 -8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.972 14.261 -9.554 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.290 16.469 -10.288 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.927 15.969 -10.726 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.261 11.941 -2.765 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.356 10.940 -2.227 1.00 0.00 C ATOM 1287 C LEU A 85 -2.151 9.683 -1.865 1.00 0.00 C ATOM 1288 O LEU A 85 -1.849 8.593 -2.348 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.552 11.516 -1.061 1.00 0.00 C ATOM 1290 CG LEU A 85 0.628 10.671 -0.577 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.638 10.443 -1.704 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.280 11.295 0.659 1.00 0.00 C ATOM 0 H LEU A 85 -2.089 12.891 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.621 10.648 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.175 12.496 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.229 11.673 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 85 0.248 9.693 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.467 9.840 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.151 9.923 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.016 11.404 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.116 10.674 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.643 12.293 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.546 11.363 1.462 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.150 9.878 -1.017 1.00 0.00 N ATOM 1305 CA ALA A 86 -3.990 8.774 -0.585 1.00 0.00 C ATOM 1306 C ALA A 86 -4.461 7.986 -1.809 1.00 0.00 C ATOM 1307 O ALA A 86 -3.959 6.897 -2.081 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.157 9.314 0.244 1.00 0.00 C ATOM 0 H ALA A 86 -3.397 10.784 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.427 8.090 0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.787 8.486 0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.771 9.839 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.746 10.002 -0.362 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.419 8.568 -2.515 1.00 0.00 N ATOM 1315 CA TYR A 87 -5.962 7.934 -3.704 1.00 0.00 C ATOM 1316 C TYR A 87 -4.859 7.252 -4.515 1.00 0.00 C ATOM 1317 O TYR A 87 -5.015 6.109 -4.944 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.571 9.061 -4.542 1.00 0.00 C ATOM 1319 CG TYR A 87 -7.454 8.574 -5.693 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -8.734 8.126 -5.439 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -6.969 8.582 -6.985 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -9.565 7.668 -6.522 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -7.800 8.123 -8.068 1.00 0.00 C ATOM 1324 CZ TYR A 87 -9.057 7.689 -7.783 1.00 0.00 C ATOM 1325 OH TYR A 87 -9.841 7.256 -8.806 1.00 0.00 O ATOM 0 H TYR A 87 -5.833 9.472 -2.286 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.693 7.172 -3.432 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.163 9.705 -3.891 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.766 9.673 -4.949 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.113 8.119 -4.428 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.967 8.932 -7.184 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.569 7.316 -6.337 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -7.433 8.123 -9.084 1.00 0.00 H new ATOM 0 HH TYR A 87 -9.348 7.329 -9.650 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.768 7.980 -4.701 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.639 7.459 -5.452 1.00 0.00 C ATOM 1337 C GLU A 88 -2.142 6.155 -4.826 1.00 0.00 C ATOM 1338 O GLU A 88 -1.988 5.149 -5.518 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.513 8.491 -5.536 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.922 9.679 -6.409 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.908 10.819 -6.294 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.742 11.319 -5.160 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -0.321 11.166 -7.342 1.00 0.00 O ATOM 0 H GLU A 88 -3.642 8.927 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.970 7.248 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.260 8.841 -4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.617 8.025 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.000 9.361 -7.449 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.908 10.033 -6.109 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.904 6.213 -3.524 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.427 5.049 -2.798 1.00 0.00 C ATOM 1352 C VAL A 89 -2.397 3.885 -3.015 1.00 0.00 C ATOM 1353 O VAL A 89 -2.043 2.886 -3.639 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.233 5.397 -1.320 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -0.943 4.142 -0.495 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.126 6.438 -1.144 1.00 0.00 C ATOM 0 H VAL A 89 -2.033 7.048 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.453 4.736 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.163 5.831 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.809 4.417 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.778 3.447 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.034 3.666 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.008 6.668 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.811 6.043 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.391 7.346 -1.685 1.00 0.00 H new ATOM 1366 N SER A 90 -3.601 4.053 -2.487 1.00 0.00 N ATOM 1367 CA SER A 90 -4.623 3.029 -2.616 1.00 0.00 C ATOM 1368 C SER A 90 -4.568 2.407 -4.012 1.00 0.00 C ATOM 1369 O SER A 90 -4.538 1.185 -4.150 1.00 0.00 O ATOM 1370 CB SER A 90 -6.015 3.604 -2.346 1.00 0.00 C ATOM 1371 OG SER A 90 -6.205 4.865 -2.983 1.00 0.00 O ATOM 0 H SER A 90 -3.891 4.883 -1.969 1.00 0.00 H new ATOM 0 HA SER A 90 -4.428 2.256 -1.873 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.771 2.903 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.159 3.715 -1.271 1.00 0.00 H new ATOM 0 HG SER A 90 -5.443 5.053 -3.570 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.557 3.275 -5.013 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.506 2.826 -6.393 1.00 0.00 C ATOM 1379 C LEU A 91 -3.202 2.060 -6.628 1.00 0.00 C ATOM 1380 O LEU A 91 -3.216 0.951 -7.161 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.707 4.004 -7.348 1.00 0.00 C ATOM 1382 CG LEU A 91 -6.135 4.222 -7.853 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.478 5.712 -7.902 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.349 3.539 -9.205 1.00 0.00 C ATOM 0 H LEU A 91 -4.583 4.288 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.324 2.135 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.378 4.914 -6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.056 3.862 -8.210 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.822 3.757 -7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.498 5.839 -8.264 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.392 6.138 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.788 6.222 -8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.372 3.710 -9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.653 3.952 -9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.174 2.468 -9.103 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.106 2.682 -6.219 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.796 2.073 -6.378 1.00 0.00 C ATOM 1398 C LEU A 92 -0.860 0.612 -5.927 1.00 0.00 C ATOM 1399 O LEU A 92 -0.385 -0.279 -6.629 1.00 0.00 O ATOM 1400 CB LEU A 92 0.269 2.895 -5.650 1.00 0.00 C ATOM 1401 CG LEU A 92 0.834 4.092 -6.419 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.724 4.951 -5.519 1.00 0.00 C ATOM 1403 CD2 LEU A 92 1.566 3.635 -7.682 1.00 0.00 C ATOM 0 H LEU A 92 -2.098 3.602 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.502 2.071 -7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.157 3.258 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.095 2.233 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 92 0.001 4.718 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.112 5.794 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.140 5.321 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.555 4.350 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.958 4.504 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.389 2.976 -7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.873 3.099 -8.330 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.450 0.412 -4.758 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.582 -0.925 -4.205 1.00 0.00 C ATOM 1417 C VAL A 93 -2.196 -1.850 -5.258 1.00 0.00 C ATOM 1418 O VAL A 93 -1.542 -2.778 -5.731 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.391 -0.877 -2.907 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.298 -2.206 -2.154 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -1.940 0.287 -2.022 1.00 0.00 C ATOM 0 H VAL A 93 -1.842 1.154 -4.178 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.603 -1.330 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.436 -0.713 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.882 -2.145 -1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.690 -3.007 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.256 -2.413 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.531 0.298 -1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.886 0.167 -1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.081 1.226 -2.556 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.445 -1.564 -5.594 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.154 -2.358 -6.583 1.00 0.00 C ATOM 1433 C PHE A 94 -3.249 -2.690 -7.771 1.00 0.00 C ATOM 1434 O PHE A 94 -3.412 -3.729 -8.409 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.331 -1.513 -7.075 1.00 0.00 C ATOM 1436 CG PHE A 94 -6.513 -2.335 -7.592 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -6.361 -3.133 -8.682 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -7.717 -2.267 -6.962 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -7.459 -3.896 -9.163 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -8.814 -3.029 -7.442 1.00 0.00 C ATOM 1441 CZ PHE A 94 -8.662 -3.828 -8.533 1.00 0.00 C ATOM 0 H PHE A 94 -3.984 -0.794 -5.199 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.484 -3.297 -6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.674 -0.876 -6.260 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.984 -0.854 -7.871 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -5.405 -3.187 -9.182 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.838 -1.633 -6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.338 -4.530 -10.029 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.769 -2.975 -6.941 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.497 -4.408 -8.898 1.00 0.00 H new ATOM 1451 N GLN A 95 -2.314 -1.788 -8.033 1.00 0.00 N ATOM 1452 CA GLN A 95 -1.383 -1.973 -9.133 1.00 0.00 C ATOM 1453 C GLN A 95 -0.266 -2.936 -8.726 1.00 0.00 C ATOM 1454 O GLN A 95 -0.066 -3.967 -9.367 1.00 0.00 O ATOM 1455 CB GLN A 95 -0.810 -0.632 -9.597 1.00 0.00 C ATOM 1456 CG GLN A 95 -1.608 -0.074 -10.777 1.00 0.00 C ATOM 1457 CD GLN A 95 -0.686 0.266 -11.950 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.418 -0.547 -12.818 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -0.218 1.511 -11.927 1.00 0.00 N ATOM 0 H GLN A 95 -2.181 -0.927 -7.502 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.924 -2.409 -9.973 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.828 0.080 -8.772 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.233 -0.759 -9.886 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.353 -0.804 -11.095 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.150 0.819 -10.465 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.482 2.141 -11.170 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.405 1.835 -12.666 1.00 0.00 H new ATOM 1468 N LEU A 96 0.434 -2.565 -7.664 1.00 0.00 N ATOM 1469 CA LEU A 96 1.526 -3.383 -7.165 1.00 0.00 C ATOM 1470 C LEU A 96 0.962 -4.680 -6.582 1.00 0.00 C ATOM 1471 O LEU A 96 0.836 -5.679 -7.288 1.00 0.00 O ATOM 1472 CB LEU A 96 2.384 -2.587 -6.179 1.00 0.00 C ATOM 1473 CG LEU A 96 3.230 -1.463 -6.780 1.00 0.00 C ATOM 1474 CD1 LEU A 96 2.348 -0.304 -7.249 1.00 0.00 C ATOM 1475 CD2 LEU A 96 4.308 -1.002 -5.798 1.00 0.00 C ATOM 0 H LEU A 96 0.266 -1.709 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 96 2.194 -3.664 -7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.728 -2.156 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.050 -3.281 -5.665 1.00 0.00 H new ATOM 0 HG LEU A 96 3.742 -1.854 -7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.974 0.482 -7.672 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.651 -0.661 -8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.789 0.094 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.895 -0.203 -6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.837 -0.635 -4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.962 -1.840 -5.556 1.00 0.00 H new ATOM 1487 N ALA A 97 0.636 -4.621 -5.299 1.00 0.00 N ATOM 1488 CA ALA A 97 0.087 -5.779 -4.613 1.00 0.00 C ATOM 1489 C ALA A 97 -0.928 -6.472 -5.523 1.00 0.00 C ATOM 1490 O ALA A 97 -0.662 -7.554 -6.044 1.00 0.00 O ATOM 1491 CB ALA A 97 -0.528 -5.340 -3.282 1.00 0.00 C ATOM 0 H ALA A 97 0.741 -3.790 -4.717 1.00 0.00 H new ATOM 0 HA ALA A 97 0.873 -6.499 -4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.940 -6.208 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.240 -4.880 -2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.323 -4.618 -3.469 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.070 -5.821 -5.687 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.126 -6.361 -6.526 1.00 0.00 C ATOM 1499 C GLY A 98 -4.476 -6.314 -5.807 1.00 0.00 C ATOM 1500 O GLY A 98 -4.673 -6.998 -4.803 1.00 0.00 O ATOM 0 H GLY A 98 -2.287 -4.924 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.184 -5.793 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.890 -7.390 -6.797 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.371 -5.500 -6.347 1.00 0.00 N ATOM 1505 CA GLY A 99 -6.696 -5.355 -5.770 1.00 0.00 C ATOM 1506 C GLY A 99 -7.750 -6.051 -6.633 1.00 0.00 C ATOM 1507 O GLY A 99 -7.542 -6.256 -7.828 1.00 0.00 O ATOM 0 H GLY A 99 -5.204 -4.934 -7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.707 -5.777 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.941 -4.297 -5.674 1.00 0.00 H new ATOM 1511 N ILE A 100 -8.858 -6.396 -5.994 1.00 0.00 N ATOM 1512 CA ILE A 100 -9.945 -7.065 -6.689 1.00 0.00 C ATOM 1513 C ILE A 100 -11.244 -6.289 -6.462 1.00 0.00 C ATOM 1514 O ILE A 100 -11.315 -5.437 -5.578 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.025 -8.535 -6.270 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -10.540 -8.668 -4.835 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -8.677 -9.234 -6.462 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -11.729 -9.629 -4.767 1.00 0.00 C ATOM 0 H ILE A 100 -9.027 -6.225 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.762 -7.073 -7.764 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.743 -9.037 -6.918 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.739 -9.028 -4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -10.837 -7.689 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -8.761 -10.277 -6.157 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.388 -9.185 -7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.920 -8.738 -5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.076 -9.706 -3.737 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.537 -9.253 -5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.422 -10.613 -5.121 1.00 0.00 H new