USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=7 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= -0.53 X(o=-0.53,f=-1) USER MOD Single : A 17 GLN : amide:sc= -1.85! K(o=-1.9!,f=-2.4) 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 X(o=0,f=-0.27) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 88:sc= 0.499 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= -0.0842 K(o=-0.084,f=-0.85) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.252 K(o=-0.25,f=-2.8!) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0648 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 80:sc= 0.21 USER MOD Single : A 95 GLN : amide:sc= -0.0274 X(o=-0.027,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -4.314 18.356 10.920 1.00 0.00 N ATOM 145 CA LEU A 13 -3.764 17.999 9.624 1.00 0.00 C ATOM 146 C LEU A 13 -4.781 17.148 8.860 1.00 0.00 C ATOM 147 O LEU A 13 -5.451 16.299 9.447 1.00 0.00 O ATOM 148 CB LEU A 13 -2.399 17.328 9.787 1.00 0.00 C ATOM 149 CG LEU A 13 -1.315 18.169 10.464 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.360 17.286 11.270 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.573 19.033 9.443 1.00 0.00 C ATOM 0 HA LEU A 13 -3.584 18.893 9.027 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.533 16.412 10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.040 17.035 8.800 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.798 18.847 11.168 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.401 17.908 11.741 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.919 16.752 12.039 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.120 16.567 10.605 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.192 19.621 9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.103 18.392 8.697 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.279 19.703 8.952 1.00 0.00 H new ATOM 163 N PRO A 14 -4.866 17.410 7.529 1.00 0.00 N ATOM 164 CA PRO A 14 -5.789 16.677 6.679 1.00 0.00 C ATOM 165 C PRO A 14 -5.275 15.263 6.403 1.00 0.00 C ATOM 166 O PRO A 14 -4.078 15.001 6.509 1.00 0.00 O ATOM 167 CB PRO A 14 -5.917 17.519 5.420 1.00 0.00 C ATOM 168 CG PRO A 14 -4.713 18.447 5.414 1.00 0.00 C ATOM 169 CD PRO A 14 -4.088 18.407 6.799 1.00 0.00 C ATOM 0 HA PRO A 14 -6.763 16.530 7.145 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.930 16.890 4.530 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.847 18.087 5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.992 18.132 4.660 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.015 19.463 5.161 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.035 18.129 6.750 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.139 19.382 7.284 1.00 0.00 H new ATOM 177 N ASN A 15 -6.207 14.387 6.054 1.00 0.00 N ATOM 178 CA ASN A 15 -5.863 13.006 5.762 1.00 0.00 C ATOM 179 C ASN A 15 -7.031 12.337 5.034 1.00 0.00 C ATOM 180 O ASN A 15 -8.167 12.800 5.120 1.00 0.00 O ATOM 181 CB ASN A 15 -5.596 12.221 7.048 1.00 0.00 C ATOM 182 CG ASN A 15 -6.053 13.010 8.277 1.00 0.00 C ATOM 183 OD1 ASN A 15 -5.267 13.626 8.978 1.00 0.00 O ATOM 184 ND2 ASN A 15 -7.363 12.956 8.498 1.00 0.00 N ATOM 0 H ASN A 15 -7.199 14.607 5.967 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.964 13.006 5.146 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.119 11.265 7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.532 11.999 7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.767 13.449 9.294 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.964 12.421 7.871 1.00 0.00 H new ATOM 191 N ARG A 16 -6.711 11.259 4.334 1.00 0.00 N ATOM 192 CA ARG A 16 -7.720 10.522 3.592 1.00 0.00 C ATOM 193 C ARG A 16 -7.347 9.040 3.517 1.00 0.00 C ATOM 194 O ARG A 16 -6.179 8.698 3.339 1.00 0.00 O ATOM 195 CB ARG A 16 -7.873 11.074 2.173 1.00 0.00 C ATOM 196 CG ARG A 16 -9.112 10.494 1.489 1.00 0.00 C ATOM 197 CD ARG A 16 -10.380 11.219 1.945 1.00 0.00 C ATOM 198 NE ARG A 16 -10.580 12.444 1.140 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.616 13.280 1.289 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.553 13.028 2.213 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.716 14.368 0.513 1.00 0.00 N ATOM 0 H ARG A 16 -5.767 10.878 4.265 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.668 10.636 4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.948 12.161 2.208 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.985 10.834 1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.009 10.580 0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.194 9.431 1.718 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.243 10.561 1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.301 11.477 3.001 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.885 12.666 0.427 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.478 12.199 2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.342 13.665 2.326 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.003 14.560 -0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.505 15.005 0.626 1.00 0.00 H new ATOM 215 N GLN A 17 -8.362 8.200 3.657 1.00 0.00 N ATOM 216 CA GLN A 17 -8.155 6.762 3.607 1.00 0.00 C ATOM 217 C GLN A 17 -9.204 6.106 2.707 1.00 0.00 C ATOM 218 O GLN A 17 -10.402 6.320 2.886 1.00 0.00 O ATOM 219 CB GLN A 17 -8.181 6.156 5.012 1.00 0.00 C ATOM 220 CG GLN A 17 -9.613 6.061 5.542 1.00 0.00 C ATOM 221 CD GLN A 17 -10.243 7.450 5.670 1.00 0.00 C ATOM 222 OE1 GLN A 17 -9.840 8.270 6.478 1.00 0.00 O ATOM 223 NE2 GLN A 17 -11.251 7.666 4.830 1.00 0.00 N ATOM 0 H GLN A 17 -9.330 8.487 3.805 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.170 6.570 3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.730 5.164 4.992 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.580 6.766 5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.213 5.446 4.871 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.613 5.567 6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.538 6.935 4.179 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.738 8.562 4.837 1.00 0.00 H new ATOM 232 N LEU A 18 -8.715 5.320 1.759 1.00 0.00 N ATOM 233 CA LEU A 18 -9.596 4.631 0.831 1.00 0.00 C ATOM 234 C LEU A 18 -9.730 3.167 1.254 1.00 0.00 C ATOM 235 O LEU A 18 -9.076 2.727 2.198 1.00 0.00 O ATOM 236 CB LEU A 18 -9.107 4.813 -0.607 1.00 0.00 C ATOM 237 CG LEU A 18 -8.508 6.181 -0.944 1.00 0.00 C ATOM 238 CD1 LEU A 18 -9.511 7.302 -0.664 1.00 0.00 C ATOM 239 CD2 LEU A 18 -7.186 6.397 -0.206 1.00 0.00 C ATOM 0 H LEU A 18 -7.721 5.145 1.613 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.595 5.065 0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.357 4.049 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.944 4.629 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.288 6.205 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.061 8.263 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.403 7.152 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.784 7.291 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.782 7.376 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.357 6.346 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.476 5.623 -0.498 1.00 0.00 H new ATOM 251 N LYS A 19 -10.582 2.452 0.534 1.00 0.00 N ATOM 252 CA LYS A 19 -10.811 1.046 0.822 1.00 0.00 C ATOM 253 C LYS A 19 -10.346 0.204 -0.367 1.00 0.00 C ATOM 254 O LYS A 19 -10.946 0.254 -1.440 1.00 0.00 O ATOM 255 CB LYS A 19 -12.272 0.810 1.210 1.00 0.00 C ATOM 256 CG LYS A 19 -13.102 0.394 -0.006 1.00 0.00 C ATOM 257 CD LYS A 19 -14.586 0.295 0.351 1.00 0.00 C ATOM 258 CE LYS A 19 -15.324 -0.628 -0.622 1.00 0.00 C ATOM 259 NZ LYS A 19 -16.692 -0.124 -0.878 1.00 0.00 N ATOM 0 H LYS A 19 -11.122 2.820 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.222 0.732 1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.328 0.036 1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.688 1.719 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.965 1.118 -0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.749 -0.567 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.695 -0.081 1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.036 1.287 0.329 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.773 -0.693 -1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.373 -1.636 -0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.179 -0.762 -1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.221 -0.085 0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.639 0.829 -1.291 1.00 0.00 H new ATOM 273 N VAL A 20 -9.282 -0.551 -0.137 1.00 0.00 N ATOM 274 CA VAL A 20 -8.730 -1.403 -1.177 1.00 0.00 C ATOM 275 C VAL A 20 -9.537 -2.701 -1.248 1.00 0.00 C ATOM 276 O VAL A 20 -9.275 -3.641 -0.499 1.00 0.00 O ATOM 277 CB VAL A 20 -7.239 -1.639 -0.923 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.701 -2.757 -1.818 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.439 -0.349 -1.116 1.00 0.00 C ATOM 0 H VAL A 20 -8.787 -0.591 0.754 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.808 -0.918 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.121 -1.954 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.640 -2.905 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.241 -3.681 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.838 -2.483 -2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.383 -0.544 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.567 0.009 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.796 0.409 -0.419 1.00 0.00 H new ATOM 289 N LYS A 21 -10.502 -2.711 -2.156 1.00 0.00 N ATOM 290 CA LYS A 21 -11.349 -3.878 -2.334 1.00 0.00 C ATOM 291 C LYS A 21 -10.496 -5.053 -2.817 1.00 0.00 C ATOM 292 O LYS A 21 -10.156 -5.135 -3.996 1.00 0.00 O ATOM 293 CB LYS A 21 -12.524 -3.551 -3.259 1.00 0.00 C ATOM 294 CG LYS A 21 -12.047 -3.336 -4.696 1.00 0.00 C ATOM 295 CD LYS A 21 -13.085 -2.559 -5.508 1.00 0.00 C ATOM 296 CE LYS A 21 -14.293 -3.439 -5.838 1.00 0.00 C ATOM 297 NZ LYS A 21 -15.500 -2.946 -5.137 1.00 0.00 N ATOM 0 H LYS A 21 -10.716 -1.930 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.793 -4.175 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.250 -4.363 -3.231 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.033 -2.655 -2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.102 -2.792 -4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.858 -4.300 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.411 -1.684 -4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.633 -2.195 -6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.466 -3.441 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.091 -4.469 -5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.310 -3.554 -5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.338 -2.967 -4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.701 -1.970 -5.436 1.00 0.00 H new ATOM 311 N VAL A 22 -10.174 -5.933 -1.880 1.00 0.00 N ATOM 312 CA VAL A 22 -9.367 -7.099 -2.194 1.00 0.00 C ATOM 313 C VAL A 22 -10.211 -8.362 -2.012 1.00 0.00 C ATOM 314 O VAL A 22 -11.437 -8.289 -1.944 1.00 0.00 O ATOM 315 CB VAL A 22 -8.096 -7.101 -1.342 1.00 0.00 C ATOM 316 CG1 VAL A 22 -7.297 -5.812 -1.546 1.00 0.00 C ATOM 317 CG2 VAL A 22 -8.427 -7.313 0.136 1.00 0.00 C ATOM 0 H VAL A 22 -10.458 -5.861 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.044 -7.071 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.475 -7.935 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.399 -5.839 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.014 -5.721 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.908 -4.956 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.506 -7.310 0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.078 -6.510 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.933 -8.270 0.262 1.00 0.00 H new ATOM 643 N GLN A 44 8.292 0.282 -1.127 1.00 0.00 N ATOM 644 CA GLN A 44 8.320 1.509 -0.349 1.00 0.00 C ATOM 645 C GLN A 44 8.976 2.632 -1.154 1.00 0.00 C ATOM 646 O GLN A 44 8.387 3.697 -1.334 1.00 0.00 O ATOM 647 CB GLN A 44 9.040 1.296 0.984 1.00 0.00 C ATOM 648 CG GLN A 44 8.040 1.217 2.140 1.00 0.00 C ATOM 649 CD GLN A 44 8.607 0.394 3.299 1.00 0.00 C ATOM 650 OE1 GLN A 44 9.800 0.367 3.550 1.00 0.00 O ATOM 651 NE2 GLN A 44 7.686 -0.274 3.989 1.00 0.00 N ATOM 0 HA GLN A 44 7.293 1.800 -0.127 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.626 0.378 0.942 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.739 2.114 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.799 2.222 2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.110 0.768 1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.703 -0.207 3.725 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.963 -0.853 4.782 1.00 0.00 H new ATOM 660 N GLU A 45 10.187 2.357 -1.616 1.00 0.00 N ATOM 661 CA GLU A 45 10.929 3.331 -2.397 1.00 0.00 C ATOM 662 C GLU A 45 9.985 4.097 -3.326 1.00 0.00 C ATOM 663 O GLU A 45 10.097 5.314 -3.465 1.00 0.00 O ATOM 664 CB GLU A 45 12.052 2.658 -3.190 1.00 0.00 C ATOM 665 CG GLU A 45 13.403 3.311 -2.889 1.00 0.00 C ATOM 666 CD GLU A 45 14.547 2.525 -3.533 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.483 2.338 -4.768 1.00 0.00 O ATOM 668 OE2 GLU A 45 15.459 2.128 -2.777 1.00 0.00 O ATOM 0 H GLU A 45 10.673 1.473 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 45 11.389 4.043 -1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.093 1.598 -2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.840 2.727 -4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.407 4.336 -3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.554 3.362 -1.811 1.00 0.00 H new ATOM 675 N ALA A 46 9.077 3.353 -3.939 1.00 0.00 N ATOM 676 CA ALA A 46 8.114 3.947 -4.851 1.00 0.00 C ATOM 677 C ALA A 46 7.367 5.073 -4.135 1.00 0.00 C ATOM 678 O ALA A 46 7.591 6.249 -4.417 1.00 0.00 O ATOM 679 CB ALA A 46 7.170 2.862 -5.375 1.00 0.00 C ATOM 0 H ALA A 46 8.987 2.344 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 46 8.620 4.383 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.448 3.308 -6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.747 2.101 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.643 2.404 -4.538 1.00 0.00 H new ATOM 685 N ILE A 47 6.494 4.674 -3.221 1.00 0.00 N ATOM 686 CA ILE A 47 5.713 5.635 -2.462 1.00 0.00 C ATOM 687 C ILE A 47 6.657 6.632 -1.784 1.00 0.00 C ATOM 688 O ILE A 47 6.441 7.841 -1.852 1.00 0.00 O ATOM 689 CB ILE A 47 4.777 4.916 -1.488 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.772 4.040 -2.240 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.084 5.912 -0.556 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.451 2.771 -1.449 1.00 0.00 C ATOM 0 H ILE A 47 6.311 3.698 -2.989 1.00 0.00 H new ATOM 0 HA ILE A 47 5.066 6.208 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 47 5.377 4.255 -0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.856 4.603 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.177 3.772 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.425 5.374 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.834 6.456 0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.499 6.616 -1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.735 2.167 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.365 2.198 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.024 3.042 -0.484 1.00 0.00 H new ATOM 704 N ASN A 48 7.682 6.087 -1.147 1.00 0.00 N ATOM 705 CA ASN A 48 8.659 6.913 -0.458 1.00 0.00 C ATOM 706 C ASN A 48 9.098 8.052 -1.380 1.00 0.00 C ATOM 707 O ASN A 48 9.279 9.183 -0.931 1.00 0.00 O ATOM 708 CB ASN A 48 9.902 6.101 -0.085 1.00 0.00 C ATOM 709 CG ASN A 48 11.053 7.020 0.328 1.00 0.00 C ATOM 710 OD1 ASN A 48 10.883 7.977 1.065 1.00 0.00 O ATOM 711 ND2 ASN A 48 12.230 6.676 -0.186 1.00 0.00 N ATOM 0 H ASN A 48 7.858 5.084 -1.093 1.00 0.00 H new ATOM 0 HA ASN A 48 8.194 7.299 0.449 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.664 5.420 0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.208 5.487 -0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.061 7.226 0.030 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.302 5.862 -0.797 1.00 0.00 H new ATOM 718 N ASP A 49 9.257 7.715 -2.651 1.00 0.00 N ATOM 719 CA ASP A 49 9.671 8.696 -3.640 1.00 0.00 C ATOM 720 C ASP A 49 8.558 9.729 -3.823 1.00 0.00 C ATOM 721 O ASP A 49 8.831 10.910 -4.037 1.00 0.00 O ATOM 722 CB ASP A 49 9.931 8.035 -4.995 1.00 0.00 C ATOM 723 CG ASP A 49 10.900 8.791 -5.907 1.00 0.00 C ATOM 724 OD1 ASP A 49 12.120 8.569 -5.745 1.00 0.00 O ATOM 725 OD2 ASP A 49 10.400 9.572 -6.744 1.00 0.00 O ATOM 0 H ASP A 49 9.107 6.776 -3.019 1.00 0.00 H new ATOM 0 HA ASP A 49 10.589 9.166 -3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.323 7.033 -4.824 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.980 7.921 -5.515 1.00 0.00 H new ATOM 730 N LEU A 50 7.326 9.249 -3.734 1.00 0.00 N ATOM 731 CA LEU A 50 6.171 10.116 -3.887 1.00 0.00 C ATOM 732 C LEU A 50 5.963 10.914 -2.598 1.00 0.00 C ATOM 733 O LEU A 50 5.397 12.006 -2.624 1.00 0.00 O ATOM 734 CB LEU A 50 4.945 9.306 -4.313 1.00 0.00 C ATOM 735 CG LEU A 50 4.680 9.233 -5.818 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.720 8.089 -6.151 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.179 10.576 -6.353 1.00 0.00 C ATOM 0 H LEU A 50 7.103 8.269 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 50 6.340 10.838 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.056 8.290 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.066 9.733 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 50 5.623 9.018 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.549 8.059 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.154 7.143 -5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.772 8.248 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.999 10.496 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.251 10.846 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.930 11.344 -6.168 1.00 0.00 H new ATOM 749 N VAL A 51 6.432 10.338 -1.501 1.00 0.00 N ATOM 750 CA VAL A 51 6.305 10.982 -0.205 1.00 0.00 C ATOM 751 C VAL A 51 7.300 12.141 -0.116 1.00 0.00 C ATOM 752 O VAL A 51 7.086 13.090 0.637 1.00 0.00 O ATOM 753 CB VAL A 51 6.486 9.951 0.911 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.549 10.631 2.281 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.376 8.899 0.872 1.00 0.00 C ATOM 0 H VAL A 51 6.901 9.432 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 51 5.306 11.402 -0.083 1.00 0.00 H new ATOM 0 HB VAL A 51 7.435 9.442 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.678 9.876 3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.391 11.323 2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.623 11.179 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.529 8.179 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.409 9.385 1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.398 8.382 -0.087 1.00 0.00 H new ATOM 765 N LYS A 52 8.366 12.025 -0.894 1.00 0.00 N ATOM 766 CA LYS A 52 9.394 13.051 -0.912 1.00 0.00 C ATOM 767 C LYS A 52 9.092 14.050 -2.031 1.00 0.00 C ATOM 768 O LYS A 52 9.375 15.240 -1.899 1.00 0.00 O ATOM 769 CB LYS A 52 10.783 12.416 -1.013 1.00 0.00 C ATOM 770 CG LYS A 52 11.178 11.750 0.307 1.00 0.00 C ATOM 771 CD LYS A 52 12.651 12.005 0.630 1.00 0.00 C ATOM 772 CE LYS A 52 13.342 10.719 1.090 1.00 0.00 C ATOM 773 NZ LYS A 52 14.811 10.850 0.974 1.00 0.00 N ATOM 0 H LYS A 52 8.540 11.236 -1.517 1.00 0.00 H new ATOM 0 HA LYS A 52 9.391 13.610 0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.792 11.677 -1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.517 13.178 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.553 12.134 1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.996 10.677 0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.157 12.399 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.730 12.763 1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.071 10.503 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.997 9.878 0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.264 9.969 1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.066 11.034 -0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.137 11.639 1.568 1.00 0.00 H new ATOM 787 N LYS A 53 8.522 13.529 -3.108 1.00 0.00 N ATOM 788 CA LYS A 53 8.179 14.360 -4.249 1.00 0.00 C ATOM 789 C LYS A 53 7.057 15.323 -3.855 1.00 0.00 C ATOM 790 O LYS A 53 6.792 16.295 -4.560 1.00 0.00 O ATOM 791 CB LYS A 53 7.844 13.491 -5.464 1.00 0.00 C ATOM 792 CG LYS A 53 9.118 13.030 -6.175 1.00 0.00 C ATOM 793 CD LYS A 53 9.019 13.266 -7.684 1.00 0.00 C ATOM 794 CE LYS A 53 7.672 12.788 -8.227 1.00 0.00 C ATOM 795 NZ LYS A 53 7.871 11.815 -9.325 1.00 0.00 N ATOM 0 H LYS A 53 8.289 12.542 -3.214 1.00 0.00 H new ATOM 0 HA LYS A 53 9.033 14.969 -4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.266 12.623 -5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.219 14.054 -6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.977 13.568 -5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.285 11.971 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.146 14.327 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.827 12.739 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.093 12.328 -7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.096 13.640 -8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.946 11.501 -9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.405 12.265 -10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.402 10.994 -8.970 1.00 0.00 H new ATOM 809 N TYR A 54 6.429 15.019 -2.729 1.00 0.00 N ATOM 810 CA TYR A 54 5.342 15.845 -2.232 1.00 0.00 C ATOM 811 C TYR A 54 5.815 16.743 -1.087 1.00 0.00 C ATOM 812 O TYR A 54 6.969 16.664 -0.668 1.00 0.00 O ATOM 813 CB TYR A 54 4.284 14.876 -1.700 1.00 0.00 C ATOM 814 CG TYR A 54 3.379 14.287 -2.784 1.00 0.00 C ATOM 815 CD1 TYR A 54 3.890 14.015 -4.037 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.052 14.027 -2.509 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.038 13.461 -5.057 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.200 13.473 -3.529 1.00 0.00 C ATOM 819 CZ TYR A 54 1.735 13.217 -4.753 1.00 0.00 C ATOM 820 OH TYR A 54 0.930 12.694 -5.716 1.00 0.00 O ATOM 0 H TYR A 54 6.652 14.212 -2.147 1.00 0.00 H new ATOM 0 HA TYR A 54 4.958 16.490 -3.023 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.783 14.061 -1.176 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.666 15.395 -0.968 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.929 14.218 -4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.652 14.239 -1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.425 13.244 -6.042 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.160 13.265 -3.327 1.00 0.00 H new ATOM 0 HH TYR A 54 0.984 11.716 -5.692 1.00 0.00 H new ATOM 830 N THR A 55 4.899 17.575 -0.613 1.00 0.00 N ATOM 831 CA THR A 55 5.208 18.487 0.475 1.00 0.00 C ATOM 832 C THR A 55 4.671 17.939 1.799 1.00 0.00 C ATOM 833 O THR A 55 3.460 17.812 1.976 1.00 0.00 O ATOM 834 CB THR A 55 4.645 19.863 0.114 1.00 0.00 C ATOM 835 OG1 THR A 55 5.737 20.531 -0.513 1.00 0.00 O ATOM 836 CG2 THR A 55 4.345 20.716 1.348 1.00 0.00 C ATOM 0 H THR A 55 3.943 17.637 -0.963 1.00 0.00 H new ATOM 0 HA THR A 55 6.285 18.587 0.613 1.00 0.00 H new ATOM 0 HB THR A 55 3.734 19.740 -0.471 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.459 21.432 -0.781 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.948 21.682 1.035 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.611 20.207 1.972 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.262 20.868 1.917 1.00 0.00 H new ATOM 844 N LEU A 56 5.597 17.630 2.694 1.00 0.00 N ATOM 845 CA LEU A 56 5.231 17.098 3.996 1.00 0.00 C ATOM 846 C LEU A 56 4.098 16.084 3.829 1.00 0.00 C ATOM 847 O LEU A 56 2.976 16.324 4.271 1.00 0.00 O ATOM 848 CB LEU A 56 4.901 18.235 4.965 1.00 0.00 C ATOM 849 CG LEU A 56 6.073 19.128 5.376 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.366 18.318 5.491 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.222 20.313 4.420 1.00 0.00 C ATOM 0 H LEU A 56 6.600 17.738 2.544 1.00 0.00 H new ATOM 0 HA LEU A 56 6.072 16.565 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.134 18.862 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.466 17.803 5.866 1.00 0.00 H new ATOM 0 HG LEU A 56 5.860 19.537 6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.183 18.977 5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.241 17.538 6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.596 17.861 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.062 20.931 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.401 19.945 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.309 20.908 4.433 1.00 0.00 H new ATOM 863 N ALA A 57 4.431 14.973 3.189 1.00 0.00 N ATOM 864 CA ALA A 57 3.455 13.922 2.957 1.00 0.00 C ATOM 865 C ALA A 57 3.897 12.652 3.688 1.00 0.00 C ATOM 866 O ALA A 57 5.053 12.533 4.091 1.00 0.00 O ATOM 867 CB ALA A 57 3.291 13.700 1.452 1.00 0.00 C ATOM 0 H ALA A 57 5.363 14.778 2.824 1.00 0.00 H new ATOM 0 HA ALA A 57 2.481 14.209 3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.559 12.911 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.949 14.623 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.248 13.407 1.021 1.00 0.00 H new ATOM 873 N ARG A 58 2.952 11.735 3.838 1.00 0.00 N ATOM 874 CA ARG A 58 3.229 10.479 4.514 1.00 0.00 C ATOM 875 C ARG A 58 2.090 9.486 4.277 1.00 0.00 C ATOM 876 O ARG A 58 0.930 9.787 4.557 1.00 0.00 O ATOM 877 CB ARG A 58 3.407 10.691 6.019 1.00 0.00 C ATOM 878 CG ARG A 58 4.873 10.531 6.426 1.00 0.00 C ATOM 879 CD ARG A 58 5.041 10.683 7.939 1.00 0.00 C ATOM 880 NE ARG A 58 6.030 11.744 8.234 1.00 0.00 N ATOM 881 CZ ARG A 58 6.248 12.249 9.456 1.00 0.00 C ATOM 882 NH1 ARG A 58 5.548 11.793 10.504 1.00 0.00 N ATOM 883 NH2 ARG A 58 7.165 13.210 9.631 1.00 0.00 N ATOM 0 H ARG A 58 1.994 11.837 3.503 1.00 0.00 H new ATOM 0 HA ARG A 58 4.156 10.079 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.056 11.686 6.294 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.794 9.975 6.566 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.237 9.552 6.113 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.480 11.276 5.912 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.083 10.930 8.397 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.368 9.738 8.374 1.00 0.00 H new ATOM 0 HE ARG A 58 6.580 12.114 7.459 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.849 11.062 10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.714 12.177 11.434 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.698 13.558 8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.330 13.594 10.561 1.00 0.00 H new ATOM 897 N ALA A 59 2.459 8.322 3.762 1.00 0.00 N ATOM 898 CA ALA A 59 1.482 7.283 3.484 1.00 0.00 C ATOM 899 C ALA A 59 1.862 6.014 4.250 1.00 0.00 C ATOM 900 O ALA A 59 2.983 5.893 4.740 1.00 0.00 O ATOM 901 CB ALA A 59 1.401 7.050 1.974 1.00 0.00 C ATOM 0 H ALA A 59 3.421 8.076 3.530 1.00 0.00 H new ATOM 0 HA ALA A 59 0.491 7.587 3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.668 6.271 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.100 7.973 1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.377 6.740 1.601 1.00 0.00 H new ATOM 907 N PHE A 60 0.905 5.101 4.328 1.00 0.00 N ATOM 908 CA PHE A 60 1.125 3.845 5.026 1.00 0.00 C ATOM 909 C PHE A 60 0.077 2.805 4.627 1.00 0.00 C ATOM 910 O PHE A 60 -0.781 3.073 3.787 1.00 0.00 O ATOM 911 CB PHE A 60 0.994 4.136 6.522 1.00 0.00 C ATOM 912 CG PHE A 60 2.175 4.909 7.112 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.434 4.406 7.014 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.966 6.100 7.736 1.00 0.00 C ATOM 915 CE1 PHE A 60 4.531 5.123 7.561 1.00 0.00 C ATOM 916 CE2 PHE A 60 3.062 6.817 8.283 1.00 0.00 C ATOM 917 CZ PHE A 60 4.321 6.313 8.184 1.00 0.00 C ATOM 0 H PHE A 60 -0.024 5.206 3.920 1.00 0.00 H new ATOM 0 HA PHE A 60 2.108 3.446 4.774 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.080 4.704 6.692 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.887 3.192 7.057 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.600 3.460 6.520 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.966 6.500 7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.531 4.723 7.482 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.896 7.763 8.778 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.155 6.858 8.601 1.00 0.00 H new ATOM 927 N VAL A 61 0.180 1.639 5.248 1.00 0.00 N ATOM 928 CA VAL A 61 -0.749 0.557 4.968 1.00 0.00 C ATOM 929 C VAL A 61 -1.227 -0.053 6.287 1.00 0.00 C ATOM 930 O VAL A 61 -0.424 -0.311 7.182 1.00 0.00 O ATOM 931 CB VAL A 61 -0.095 -0.466 4.038 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.315 -0.094 2.570 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.396 -0.614 4.348 1.00 0.00 C ATOM 0 H VAL A 61 0.893 1.420 5.944 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.629 0.934 4.447 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.572 -1.430 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.160 -0.838 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.384 -0.064 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.122 0.885 2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.837 -1.347 3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.893 0.347 4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.522 -0.948 5.378 1.00 0.00 H new ATOM 1059 N VAL A 70 -9.004 -3.862 2.766 1.00 0.00 N ATOM 1060 CA VAL A 70 -7.882 -3.204 3.413 1.00 0.00 C ATOM 1061 C VAL A 70 -8.160 -1.703 3.504 1.00 0.00 C ATOM 1062 O VAL A 70 -8.957 -1.168 2.736 1.00 0.00 O ATOM 1063 CB VAL A 70 -6.585 -3.527 2.667 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -5.409 -2.738 3.246 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -6.300 -5.030 2.689 1.00 0.00 C ATOM 0 HA VAL A 70 -7.758 -3.574 4.431 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.712 -3.225 1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.500 -2.986 2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.608 -1.670 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.281 -2.995 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.373 -5.232 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.203 -5.367 3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.121 -5.563 2.209 1.00 0.00 H new ATOM 1075 N ARG A 71 -7.487 -1.065 4.451 1.00 0.00 N ATOM 1076 CA ARG A 71 -7.652 0.364 4.653 1.00 0.00 C ATOM 1077 C ARG A 71 -6.320 1.087 4.445 1.00 0.00 C ATOM 1078 O ARG A 71 -5.385 0.908 5.224 1.00 0.00 O ATOM 1079 CB ARG A 71 -8.174 0.665 6.060 1.00 0.00 C ATOM 1080 CG ARG A 71 -9.692 0.858 6.053 1.00 0.00 C ATOM 1081 CD ARG A 71 -10.212 1.166 7.458 1.00 0.00 C ATOM 1082 NE ARG A 71 -11.144 0.103 7.897 1.00 0.00 N ATOM 1083 CZ ARG A 71 -12.336 -0.131 7.331 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -12.748 0.621 6.302 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -13.115 -1.117 7.796 1.00 0.00 N ATOM 0 H ARG A 71 -6.826 -1.512 5.087 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.380 0.720 3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.911 -0.152 6.732 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.692 1.563 6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.956 1.672 5.377 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -10.175 -0.042 5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.378 1.240 8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.719 2.131 7.464 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.861 -0.488 8.679 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.154 1.372 5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.655 0.443 5.871 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.801 -1.689 8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.022 -1.296 7.366 1.00 0.00 H new ATOM 1099 N VAL A 72 -6.276 1.888 3.391 1.00 0.00 N ATOM 1100 CA VAL A 72 -5.074 2.639 3.071 1.00 0.00 C ATOM 1101 C VAL A 72 -5.132 4.004 3.760 1.00 0.00 C ATOM 1102 O VAL A 72 -6.095 4.749 3.589 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.910 2.742 1.553 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.104 3.985 1.172 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.267 1.476 0.984 1.00 0.00 C ATOM 0 H VAL A 72 -7.054 2.033 2.747 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.190 2.123 3.446 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.903 2.839 1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.002 4.034 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.620 4.877 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.115 3.931 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.162 1.575 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.284 1.334 1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.896 0.615 1.210 1.00 0.00 H new ATOM 1115 N TYR A 73 -4.088 4.289 4.525 1.00 0.00 N ATOM 1116 CA TYR A 73 -4.007 5.551 5.240 1.00 0.00 C ATOM 1117 C TYR A 73 -2.883 6.427 4.684 1.00 0.00 C ATOM 1118 O TYR A 73 -1.819 5.924 4.326 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.687 5.193 6.693 1.00 0.00 C ATOM 1120 CG TYR A 73 -4.702 5.729 7.704 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.994 5.243 7.710 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -4.326 6.700 8.611 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -6.949 5.748 8.662 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -5.281 7.204 9.563 1.00 0.00 C ATOM 1125 CZ TYR A 73 -6.545 6.704 9.542 1.00 0.00 C ATOM 1126 OH TYR A 73 -7.447 7.180 10.441 1.00 0.00 O ATOM 0 H TYR A 73 -3.291 3.667 4.665 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.939 6.107 5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.635 4.108 6.786 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.700 5.582 6.943 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.289 4.484 7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.316 7.081 8.606 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.963 5.376 8.677 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.999 7.963 10.278 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.019 7.857 11.006 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.157 7.722 4.627 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.181 8.672 4.120 1.00 0.00 C ATOM 1138 C ALA A 74 -2.537 10.075 4.616 1.00 0.00 C ATOM 1139 O ALA A 74 -3.713 10.418 4.726 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.132 8.588 2.593 1.00 0.00 C ATOM 0 H ALA A 74 -4.041 8.136 4.924 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.184 8.434 4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.400 9.301 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.847 7.580 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.114 8.824 2.184 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.499 10.848 4.900 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.688 12.206 5.381 1.00 0.00 C ATOM 1148 C GLU A 75 -0.743 13.163 4.651 1.00 0.00 C ATOM 1149 O GLU A 75 0.198 12.728 3.990 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.485 12.285 6.896 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.046 11.929 7.275 1.00 0.00 C ATOM 1152 CD GLU A 75 0.613 13.069 8.055 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -0.052 13.582 8.981 1.00 0.00 O ATOM 1154 OE2 GLU A 75 1.767 13.402 7.707 1.00 0.00 O ATOM 0 H GLU A 75 -0.525 10.560 4.806 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.714 12.506 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.719 13.290 7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.175 11.605 7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.039 11.020 7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.530 11.719 6.374 1.00 0.00 H new ATOM 1161 N ALA A 76 -1.028 14.449 4.796 1.00 0.00 N ATOM 1162 CA ALA A 76 -0.216 15.472 4.159 1.00 0.00 C ATOM 1163 C ALA A 76 -0.439 16.810 4.867 1.00 0.00 C ATOM 1164 O ALA A 76 -1.319 16.925 5.719 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.554 15.537 2.668 1.00 0.00 C ATOM 0 H ALA A 76 -1.810 14.806 5.345 1.00 0.00 H new ATOM 0 HA ALA A 76 0.843 15.228 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.055 16.304 2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.349 14.571 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.609 15.782 2.544 1.00 0.00 H new ATOM 1171 N ASN A 77 0.372 17.786 4.488 1.00 0.00 N ATOM 1172 CA ASN A 77 0.274 19.111 5.076 1.00 0.00 C ATOM 1173 C ASN A 77 -0.922 19.847 4.468 1.00 0.00 C ATOM 1174 O ASN A 77 -1.540 20.683 5.125 1.00 0.00 O ATOM 1175 CB ASN A 77 1.531 19.935 4.791 1.00 0.00 C ATOM 1176 CG ASN A 77 1.367 21.374 5.283 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.722 21.646 6.282 1.00 0.00 O ATOM 1178 ND2 ASN A 77 1.984 22.278 4.527 1.00 0.00 N ATOM 0 H ASN A 77 1.100 17.686 3.781 1.00 0.00 H new ATOM 0 HA ASN A 77 0.157 18.994 6.153 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.390 19.475 5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.736 19.934 3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.934 23.267 4.771 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.508 21.982 3.703 1.00 0.00 H new ATOM 1185 N SER A 78 -1.212 19.509 3.220 1.00 0.00 N ATOM 1186 CA SER A 78 -2.322 20.127 2.517 1.00 0.00 C ATOM 1187 C SER A 78 -3.484 19.138 2.401 1.00 0.00 C ATOM 1188 O SER A 78 -3.281 17.927 2.460 1.00 0.00 O ATOM 1189 CB SER A 78 -1.895 20.609 1.129 1.00 0.00 C ATOM 1190 OG SER A 78 -0.888 21.615 1.199 1.00 0.00 O ATOM 0 H SER A 78 -0.697 18.815 2.678 1.00 0.00 H new ATOM 0 HA SER A 78 -2.648 20.995 3.089 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.523 19.764 0.550 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.763 21.001 0.599 1.00 0.00 H new ATOM 0 HG SER A 78 -0.642 21.895 0.293 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.677 19.692 2.238 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.871 18.873 2.113 1.00 0.00 C ATOM 1198 C GLN A 79 -5.928 18.225 0.728 1.00 0.00 C ATOM 1199 O GLN A 79 -6.755 17.348 0.483 1.00 0.00 O ATOM 1200 CB GLN A 79 -7.131 19.697 2.385 1.00 0.00 C ATOM 1201 CG GLN A 79 -8.331 18.789 2.660 1.00 0.00 C ATOM 1202 CD GLN A 79 -9.607 19.363 2.039 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.594 20.372 1.353 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -10.704 18.666 2.317 1.00 0.00 N ATOM 0 H GLN A 79 -4.842 20.697 2.190 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.825 18.081 2.861 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.963 20.353 3.239 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.343 20.337 1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.140 17.795 2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.466 18.674 3.736 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.643 17.830 2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.606 18.967 1.949 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.038 18.681 -0.141 1.00 0.00 N ATOM 1214 CA GLU A 80 -4.977 18.157 -1.494 1.00 0.00 C ATOM 1215 C GLU A 80 -4.176 16.853 -1.523 1.00 0.00 C ATOM 1216 O GLU A 80 -4.734 15.782 -1.757 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.381 19.187 -2.455 1.00 0.00 C ATOM 1218 CG GLU A 80 -3.602 18.502 -3.580 1.00 0.00 C ATOM 1219 CD GLU A 80 -3.542 19.389 -4.825 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -2.757 20.361 -4.792 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -4.283 19.075 -5.782 1.00 0.00 O ATOM 0 H GLU A 80 -4.353 19.408 0.066 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.993 17.944 -1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.178 19.797 -2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.721 19.860 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.591 18.276 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.075 17.552 -3.829 1.00 0.00 H new ATOM 1228 N SER A 81 -2.880 16.987 -1.280 1.00 0.00 N ATOM 1229 CA SER A 81 -1.997 15.833 -1.275 1.00 0.00 C ATOM 1230 C SER A 81 -2.587 14.726 -0.400 1.00 0.00 C ATOM 1231 O SER A 81 -2.537 13.551 -0.760 1.00 0.00 O ATOM 1232 CB SER A 81 -0.599 16.212 -0.781 1.00 0.00 C ATOM 1233 OG SER A 81 -0.296 17.581 -1.034 1.00 0.00 O ATOM 0 H SER A 81 -2.421 17.877 -1.085 1.00 0.00 H new ATOM 0 HA SER A 81 -1.905 15.468 -2.298 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.527 16.017 0.289 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.142 15.580 -1.271 1.00 0.00 H new ATOM 0 HG SER A 81 0.604 17.784 -0.703 1.00 0.00 H new ATOM 1239 N ALA A 82 -3.134 15.140 0.734 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.733 14.198 1.664 1.00 0.00 C ATOM 1241 C ALA A 82 -4.584 13.192 0.886 1.00 0.00 C ATOM 1242 O ALA A 82 -4.529 11.992 1.151 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.546 14.962 2.712 1.00 0.00 C ATOM 0 H ALA A 82 -3.175 16.115 1.030 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.962 13.638 2.194 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.995 14.255 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.891 15.642 3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.332 15.533 2.218 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.351 13.718 -0.058 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.212 12.881 -0.875 1.00 0.00 C ATOM 1251 C ASP A 83 -5.407 12.325 -2.052 1.00 0.00 C ATOM 1252 O ASP A 83 -5.304 11.111 -2.220 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.385 13.684 -1.441 1.00 0.00 C ATOM 1254 CG ASP A 83 -7.919 14.784 -0.522 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -8.069 14.492 0.684 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -8.164 15.892 -1.046 1.00 0.00 O ATOM 0 H ASP A 83 -5.394 14.714 -0.275 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.596 12.077 -0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.075 14.137 -2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.199 12.997 -1.671 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.858 13.241 -2.837 1.00 0.00 N ATOM 1262 CA ARG A 84 -4.066 12.858 -3.993 1.00 0.00 C ATOM 1263 C ARG A 84 -3.181 11.657 -3.656 1.00 0.00 C ATOM 1264 O ARG A 84 -3.335 10.585 -4.240 1.00 0.00 O ATOM 1265 CB ARG A 84 -3.184 14.016 -4.465 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.578 14.467 -5.873 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.501 14.089 -6.891 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.622 14.939 -8.096 1.00 0.00 N ATOM 1269 CZ ARG A 84 -3.497 14.717 -9.087 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -4.331 13.671 -9.023 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -3.536 15.542 -10.143 1.00 0.00 N ATOM 0 H ARG A 84 -4.946 14.247 -2.695 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.756 12.592 -4.794 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.275 14.853 -3.772 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.138 13.708 -4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.526 14.008 -6.154 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.731 15.546 -5.884 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.512 14.210 -6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.601 13.039 -7.165 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.001 15.744 -8.178 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.301 13.043 -8.220 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.997 13.503 -9.777 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.900 16.338 -10.192 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.202 15.374 -10.897 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.274 11.876 -2.716 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.365 10.824 -2.294 1.00 0.00 C ATOM 1287 C LEU A 85 -2.171 9.583 -1.906 1.00 0.00 C ATOM 1288 O LEU A 85 -1.933 8.495 -2.429 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.441 11.328 -1.183 1.00 0.00 C ATOM 1290 CG LEU A 85 0.823 10.502 -0.935 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.928 10.879 -1.924 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.286 10.630 0.517 1.00 0.00 C ATOM 0 H LEU A 85 -2.149 12.766 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.710 10.535 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.143 12.349 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.011 11.371 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 85 0.583 9.452 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.815 10.277 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.584 10.694 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.173 11.935 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.186 10.033 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.503 11.675 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.500 10.273 1.182 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.109 9.787 -0.993 1.00 0.00 N ATOM 1305 CA ALA A 86 -3.952 8.698 -0.530 1.00 0.00 C ATOM 1306 C ALA A 86 -4.525 7.953 -1.737 1.00 0.00 C ATOM 1307 O ALA A 86 -4.138 6.818 -2.011 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.046 9.253 0.385 1.00 0.00 C ATOM 0 H ALA A 86 -3.304 10.690 -0.561 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.370 7.984 0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.679 8.436 0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.588 9.747 1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.652 9.972 -0.167 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.438 8.621 -2.427 1.00 0.00 N ATOM 1315 CA TYR A 87 -6.067 8.036 -3.598 1.00 0.00 C ATOM 1316 C TYR A 87 -5.055 7.241 -4.425 1.00 0.00 C ATOM 1317 O TYR A 87 -5.358 6.146 -4.896 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.578 9.212 -4.433 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.609 8.939 -5.938 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.481 8.002 -6.452 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.763 9.631 -6.782 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -7.510 7.745 -7.869 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -5.791 9.374 -8.199 1.00 0.00 C ATOM 1324 CZ TYR A 87 -6.663 8.444 -8.672 1.00 0.00 C ATOM 1325 OH TYR A 87 -6.690 8.202 -10.010 1.00 0.00 O ATOM 0 H TYR A 87 -5.757 9.562 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.864 7.353 -3.305 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.583 9.471 -4.100 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.946 10.080 -4.244 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.142 7.461 -5.792 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.080 10.365 -6.380 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.188 7.014 -8.284 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.135 9.908 -8.870 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.033 8.774 -10.459 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.874 7.823 -4.575 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.816 7.181 -5.337 1.00 0.00 C ATOM 1337 C GLU A 88 -2.395 5.873 -4.664 1.00 0.00 C ATOM 1338 O GLU A 88 -2.613 4.793 -5.209 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.619 8.119 -5.509 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.882 9.146 -6.612 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.571 9.624 -7.239 1.00 0.00 C ATOM 1342 OE1 GLU A 88 0.339 9.972 -6.456 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -0.508 9.631 -8.488 1.00 0.00 O ATOM 0 H GLU A 88 -3.627 8.731 -4.182 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.200 6.948 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.417 8.633 -4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.729 7.538 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.517 8.705 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.424 9.997 -6.200 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.800 6.015 -3.489 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.347 4.858 -2.735 1.00 0.00 C ATOM 1352 C VAL A 89 -2.368 3.728 -2.881 1.00 0.00 C ATOM 1353 O VAL A 89 -2.032 2.638 -3.342 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.092 5.249 -1.278 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -0.852 4.010 -0.412 1.00 0.00 C ATOM 1356 CG2 VAL A 89 0.079 6.228 -1.171 1.00 0.00 C ATOM 0 H VAL A 89 -1.621 6.913 -3.040 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.399 4.493 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.984 5.751 -0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.673 4.316 0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.728 3.363 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.017 3.468 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.240 6.490 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.980 5.763 -1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.147 7.129 -1.740 1.00 0.00 H new ATOM 1366 N SER A 90 -3.595 4.027 -2.479 1.00 0.00 N ATOM 1367 CA SER A 90 -4.667 3.050 -2.559 1.00 0.00 C ATOM 1368 C SER A 90 -4.605 2.312 -3.898 1.00 0.00 C ATOM 1369 O SER A 90 -4.746 1.091 -3.946 1.00 0.00 O ATOM 1370 CB SER A 90 -6.033 3.716 -2.384 1.00 0.00 C ATOM 1371 OG SER A 90 -6.018 5.081 -2.793 1.00 0.00 O ATOM 0 H SER A 90 -3.870 4.932 -2.097 1.00 0.00 H new ATOM 0 HA SER A 90 -4.536 2.332 -1.749 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.778 3.172 -2.964 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.335 3.654 -1.339 1.00 0.00 H new ATOM 0 HG SER A 90 -6.084 5.131 -3.770 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.393 3.085 -4.954 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.310 2.520 -6.290 1.00 0.00 C ATOM 1379 C LEU A 91 -3.083 1.609 -6.379 1.00 0.00 C ATOM 1380 O LEU A 91 -3.182 0.471 -6.834 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.329 3.629 -7.343 1.00 0.00 C ATOM 1382 CG LEU A 91 -5.678 3.892 -8.015 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -5.998 5.388 -8.035 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -5.722 3.278 -9.416 1.00 0.00 C ATOM 0 H LEU A 91 -4.276 4.097 -4.911 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.183 1.901 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.992 4.554 -6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.602 3.381 -8.117 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.454 3.404 -7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.962 5.547 -8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.037 5.765 -7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.223 5.919 -8.588 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.692 3.480 -9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.935 3.716 -10.030 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.571 2.201 -9.346 1.00 0.00 H new ATOM 1396 N LEU A 92 -1.955 2.145 -5.936 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.711 1.395 -5.959 1.00 0.00 C ATOM 1398 C LEU A 92 -0.962 -0.018 -5.427 1.00 0.00 C ATOM 1399 O LEU A 92 -0.452 -0.992 -5.979 1.00 0.00 O ATOM 1400 CB LEU A 92 0.385 2.150 -5.204 1.00 0.00 C ATOM 1401 CG LEU A 92 1.002 3.344 -5.935 1.00 0.00 C ATOM 1402 CD1 LEU A 92 2.261 2.929 -6.699 1.00 0.00 C ATOM 1403 CD2 LEU A 92 -0.025 4.019 -6.847 1.00 0.00 C ATOM 0 H LEU A 92 -1.877 3.090 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.348 1.292 -6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.029 2.502 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.182 1.447 -4.961 1.00 0.00 H new ATOM 0 HG LEU A 92 1.305 4.080 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.679 3.796 -7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.996 2.530 -6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.006 2.164 -7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.439 4.864 -7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.381 3.302 -7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.866 4.372 -6.250 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.747 -0.084 -4.362 1.00 0.00 N ATOM 1416 CA VAL A 93 -2.072 -1.361 -3.750 1.00 0.00 C ATOM 1417 C VAL A 93 -2.820 -2.232 -4.762 1.00 0.00 C ATOM 1418 O VAL A 93 -2.365 -3.322 -5.104 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.859 -1.137 -2.457 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.920 -2.418 -1.623 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -2.265 0.017 -1.647 1.00 0.00 C ATOM 0 H VAL A 93 -2.168 0.726 -3.907 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.162 -1.894 -3.473 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.879 -0.866 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.485 -2.231 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.410 -3.204 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.909 -2.733 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.843 0.155 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.231 -0.213 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.298 0.932 -2.239 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.954 -1.717 -5.213 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.770 -2.434 -6.179 1.00 0.00 C ATOM 1433 C PHE A 94 -3.933 -2.878 -7.380 1.00 0.00 C ATOM 1434 O PHE A 94 -4.253 -3.872 -8.030 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.852 -1.464 -6.657 1.00 0.00 C ATOM 1436 CG PHE A 94 -7.077 -2.150 -7.264 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -7.001 -2.707 -8.502 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -8.243 -2.203 -6.565 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -8.139 -3.344 -9.066 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.380 -2.839 -7.129 1.00 0.00 C ATOM 1441 CZ PHE A 94 -9.304 -3.396 -8.367 1.00 0.00 C ATOM 0 H PHE A 94 -4.327 -0.812 -4.928 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.197 -3.325 -5.718 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.172 -0.849 -5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.421 -0.791 -7.398 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.075 -2.665 -9.057 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.304 -1.761 -5.581 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.079 -3.787 -10.049 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.306 -2.880 -6.574 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.169 -3.880 -8.795 1.00 0.00 H new ATOM 1451 N GLN A 95 -2.877 -2.121 -7.637 1.00 0.00 N ATOM 1452 CA GLN A 95 -1.991 -2.425 -8.749 1.00 0.00 C ATOM 1453 C GLN A 95 -0.945 -3.458 -8.327 1.00 0.00 C ATOM 1454 O GLN A 95 -0.866 -4.539 -8.907 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.325 -1.155 -9.282 1.00 0.00 C ATOM 1456 CG GLN A 95 -2.120 -0.566 -10.449 1.00 0.00 C ATOM 1457 CD GLN A 95 -1.309 -0.615 -11.745 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.204 -0.107 -11.836 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -1.918 -1.253 -12.740 1.00 0.00 N ATOM 0 H GLN A 95 -2.614 -1.298 -7.095 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.586 -2.850 -9.557 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.247 -0.418 -8.482 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.310 -1.382 -9.607 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.050 -1.120 -10.577 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.392 0.465 -10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.844 -1.656 -12.596 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.459 -1.340 -13.647 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.167 -3.088 -7.320 1.00 0.00 N ATOM 1469 CA LEU A 96 0.871 -3.969 -6.813 1.00 0.00 C ATOM 1470 C LEU A 96 0.223 -5.151 -6.090 1.00 0.00 C ATOM 1471 O LEU A 96 0.022 -6.211 -6.682 1.00 0.00 O ATOM 1472 CB LEU A 96 1.862 -3.188 -5.949 1.00 0.00 C ATOM 1473 CG LEU A 96 2.795 -2.231 -6.695 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.545 -2.958 -7.813 1.00 0.00 C ATOM 1475 CD2 LEU A 96 2.030 -1.014 -7.216 1.00 0.00 C ATOM 0 H LEU A 96 -0.235 -2.190 -6.842 1.00 0.00 H new ATOM 0 HA LEU A 96 1.456 -4.380 -7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.298 -2.614 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.473 -3.902 -5.396 1.00 0.00 H new ATOM 0 HG LEU A 96 3.542 -1.864 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.201 -2.256 -8.327 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.141 -3.765 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.828 -3.372 -8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.717 -0.350 -7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.247 -1.342 -7.900 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.580 -0.481 -6.378 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.086 -4.930 -4.821 1.00 0.00 N ATOM 1488 CA ALA A 97 -0.707 -5.964 -4.011 1.00 0.00 C ATOM 1489 C ALA A 97 -1.740 -6.714 -4.854 1.00 0.00 C ATOM 1490 O ALA A 97 -1.774 -7.944 -4.851 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.322 -5.332 -2.760 1.00 0.00 C ATOM 0 H ALA A 97 0.082 -4.050 -4.334 1.00 0.00 H new ATOM 0 HA ALA A 97 0.036 -6.689 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.788 -6.108 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.542 -4.837 -2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.075 -4.601 -3.054 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.557 -5.942 -5.555 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.589 -6.519 -6.401 1.00 0.00 C ATOM 1499 C GLY A 98 -4.941 -6.533 -5.684 1.00 0.00 C ATOM 1500 O GLY A 98 -5.081 -7.146 -4.627 1.00 0.00 O ATOM 0 H GLY A 98 -2.526 -4.922 -5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.669 -5.946 -7.325 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.310 -7.535 -6.679 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.902 -5.850 -6.289 1.00 0.00 N ATOM 1505 CA GLY A 99 -7.238 -5.776 -5.722 1.00 0.00 C ATOM 1506 C GLY A 99 -8.225 -6.615 -6.535 1.00 0.00 C ATOM 1507 O GLY A 99 -7.820 -7.415 -7.377 1.00 0.00 O ATOM 0 H GLY A 99 -5.782 -5.343 -7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.219 -6.128 -4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.570 -4.738 -5.699 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.503 -6.403 -6.256 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.552 -7.129 -6.951 1.00 0.00 C ATOM 1513 C ILE A 100 -11.444 -6.136 -7.699 1.00 0.00 C ATOM 1514 O ILE A 100 -11.654 -5.015 -7.239 1.00 0.00 O ATOM 1515 CB ILE A 100 -11.316 -8.029 -5.978 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -12.026 -7.200 -4.906 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -10.392 -9.084 -5.367 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -13.249 -7.940 -4.361 1.00 0.00 C ATOM 0 H ILE A 100 -9.836 -5.738 -5.558 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.122 -7.797 -7.697 1.00 0.00 H new ATOM 0 HB ILE A 100 -12.086 -8.560 -6.537 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -11.335 -6.984 -4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.333 -6.242 -5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.960 -9.711 -4.679 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.972 -9.703 -6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.584 -8.591 -4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.735 -7.329 -3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.949 -8.133 -5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.935 -8.886 -3.920 1.00 0.00 H new