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= -4.07! K(o=-4.1!,f=-1.6) USER MOD Single : A 17 GLN : amide:sc= -2.27 X(o=-2.3,f=-1.9) 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= -0.0165 X(o=-0.017,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.265 K(o=-0.27,f=-1.3) 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 180:sc= 0 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= -0.872 X(o=-0.87,f=-1.2!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.2) USER MOD Single : A 81 SER OG : rot -63:sc= -0.526 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 74:sc= -0.38 USER MOD Single : A 95 GLN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -4.360 18.527 10.892 1.00 0.00 N ATOM 145 CA LEU A 13 -3.768 18.161 9.616 1.00 0.00 C ATOM 146 C LEU A 13 -4.752 17.289 8.833 1.00 0.00 C ATOM 147 O LEU A 13 -5.524 16.535 9.424 1.00 0.00 O ATOM 148 CB LEU A 13 -2.400 17.509 9.827 1.00 0.00 C ATOM 149 CG LEU A 13 -1.281 18.435 10.307 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.146 17.637 10.949 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.783 19.328 9.168 1.00 0.00 C ATOM 0 HA LEU A 13 -3.581 19.050 9.014 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.512 16.702 10.551 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.089 17.053 8.887 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.687 19.091 11.077 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.636 18.320 11.281 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.530 17.082 11.804 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.267 16.940 10.220 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.012 19.977 9.535 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.399 18.706 8.359 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.607 19.938 8.797 1.00 0.00 H new ATOM 163 N PRO A 14 -4.690 17.424 7.482 1.00 0.00 N ATOM 164 CA PRO A 14 -5.566 16.657 6.612 1.00 0.00 C ATOM 165 C PRO A 14 -5.110 15.199 6.522 1.00 0.00 C ATOM 166 O PRO A 14 -3.933 14.900 6.720 1.00 0.00 O ATOM 167 CB PRO A 14 -5.521 17.377 5.274 1.00 0.00 C ATOM 168 CG PRO A 14 -4.271 18.241 5.308 1.00 0.00 C ATOM 169 CD PRO A 14 -3.788 18.306 6.748 1.00 0.00 C ATOM 0 HA PRO A 14 -6.588 16.604 6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.482 16.666 4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.413 17.986 5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.498 17.820 4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.488 19.241 4.933 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.753 17.974 6.834 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.829 19.325 7.134 1.00 0.00 H new ATOM 177 N ASN A 15 -6.065 14.331 6.225 1.00 0.00 N ATOM 178 CA ASN A 15 -5.777 12.912 6.106 1.00 0.00 C ATOM 179 C ASN A 15 -6.910 12.227 5.339 1.00 0.00 C ATOM 180 O ASN A 15 -8.067 12.631 5.443 1.00 0.00 O ATOM 181 CB ASN A 15 -5.673 12.254 7.484 1.00 0.00 C ATOM 182 CG ASN A 15 -6.499 13.019 8.520 1.00 0.00 C ATOM 183 OD1 ASN A 15 -7.617 12.659 8.849 1.00 0.00 O ATOM 184 ND2 ASN A 15 -5.887 14.092 9.014 1.00 0.00 N ATOM 0 H ASN A 15 -7.040 14.583 6.063 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.828 12.804 5.582 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.021 11.223 7.426 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.630 12.221 7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.355 14.670 9.712 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.950 14.337 8.694 1.00 0.00 H new ATOM 191 N ARG A 16 -6.537 11.203 4.586 1.00 0.00 N ATOM 192 CA ARG A 16 -7.508 10.459 3.802 1.00 0.00 C ATOM 193 C ARG A 16 -7.063 9.003 3.650 1.00 0.00 C ATOM 194 O ARG A 16 -5.904 8.733 3.342 1.00 0.00 O ATOM 195 CB ARG A 16 -7.686 11.078 2.414 1.00 0.00 C ATOM 196 CG ARG A 16 -8.887 10.465 1.690 1.00 0.00 C ATOM 197 CD ARG A 16 -10.203 10.984 2.274 1.00 0.00 C ATOM 198 NE ARG A 16 -10.664 12.165 1.511 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.872 12.727 1.654 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.748 12.218 2.532 1.00 0.00 N ATOM 201 NH2 ARG A 16 -12.205 13.797 0.920 1.00 0.00 N ATOM 0 H ARG A 16 -5.576 10.871 4.502 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.461 10.499 4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.824 12.155 2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.783 10.922 1.824 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.837 10.705 0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.851 9.379 1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.960 10.200 2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.066 11.249 3.322 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.022 12.577 0.834 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.495 11.403 3.091 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.668 12.646 2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.539 14.184 0.252 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.125 14.224 1.029 1.00 0.00 H new ATOM 215 N GLN A 17 -8.009 8.102 3.872 1.00 0.00 N ATOM 216 CA GLN A 17 -7.730 6.681 3.764 1.00 0.00 C ATOM 217 C GLN A 17 -8.850 5.976 2.995 1.00 0.00 C ATOM 218 O GLN A 17 -10.023 6.113 3.337 1.00 0.00 O ATOM 219 CB GLN A 17 -7.534 6.053 5.146 1.00 0.00 C ATOM 220 CG GLN A 17 -8.874 5.881 5.864 1.00 0.00 C ATOM 221 CD GLN A 17 -9.549 7.235 6.097 1.00 0.00 C ATOM 222 OE1 GLN A 17 -8.984 8.147 6.678 1.00 0.00 O ATOM 223 NE2 GLN A 17 -10.785 7.313 5.613 1.00 0.00 N ATOM 0 H GLN A 17 -8.970 8.329 4.126 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.800 6.555 3.209 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.045 5.084 5.043 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.874 6.681 5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.529 5.241 5.272 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.717 5.380 6.819 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.198 6.511 5.137 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.320 8.175 5.718 1.00 0.00 H new ATOM 232 N LEU A 18 -8.447 5.238 1.971 1.00 0.00 N ATOM 233 CA LEU A 18 -9.402 4.512 1.151 1.00 0.00 C ATOM 234 C LEU A 18 -9.442 3.049 1.597 1.00 0.00 C ATOM 235 O LEU A 18 -8.586 2.605 2.361 1.00 0.00 O ATOM 236 CB LEU A 18 -9.082 4.694 -0.333 1.00 0.00 C ATOM 237 CG LEU A 18 -8.603 6.087 -0.750 1.00 0.00 C ATOM 238 CD1 LEU A 18 -9.624 7.157 -0.359 1.00 0.00 C ATOM 239 CD2 LEU A 18 -7.215 6.383 -0.179 1.00 0.00 C ATOM 0 H LEU A 18 -7.473 5.127 1.691 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.405 4.915 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.316 3.970 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.975 4.451 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.515 6.107 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.260 8.137 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.574 6.952 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.767 7.146 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.898 7.378 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.252 6.338 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.504 5.644 -0.549 1.00 0.00 H new ATOM 251 N LYS A 19 -10.444 2.339 1.100 1.00 0.00 N ATOM 252 CA LYS A 19 -10.606 0.935 1.437 1.00 0.00 C ATOM 253 C LYS A 19 -10.391 0.086 0.183 1.00 0.00 C ATOM 254 O LYS A 19 -11.191 0.137 -0.751 1.00 0.00 O ATOM 255 CB LYS A 19 -11.958 0.699 2.115 1.00 0.00 C ATOM 256 CG LYS A 19 -13.015 0.270 1.096 1.00 0.00 C ATOM 257 CD LYS A 19 -14.398 0.180 1.745 1.00 0.00 C ATOM 258 CE LYS A 19 -15.321 -0.740 0.943 1.00 0.00 C ATOM 259 NZ LYS A 19 -16.606 -0.931 1.653 1.00 0.00 N ATOM 0 H LYS A 19 -11.152 2.710 0.466 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.853 0.628 2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.855 -0.068 2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.281 1.611 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.042 0.983 0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.745 -0.697 0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.302 -0.194 2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.838 1.175 1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.503 -0.312 -0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.838 -1.704 0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.221 -1.558 1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.428 -1.359 2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.073 -0.010 1.779 1.00 0.00 H new ATOM 273 N VAL A 20 -9.308 -0.676 0.201 1.00 0.00 N ATOM 274 CA VAL A 20 -8.977 -1.536 -0.923 1.00 0.00 C ATOM 275 C VAL A 20 -9.447 -2.961 -0.625 1.00 0.00 C ATOM 276 O VAL A 20 -9.107 -3.526 0.414 1.00 0.00 O ATOM 277 CB VAL A 20 -7.480 -1.450 -1.224 1.00 0.00 C ATOM 278 CG1 VAL A 20 -7.122 -2.276 -2.461 1.00 0.00 C ATOM 279 CG2 VAL A 20 -7.036 0.005 -1.389 1.00 0.00 C ATOM 0 H VAL A 20 -8.647 -0.716 0.977 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.495 -1.205 -1.823 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.943 -1.869 -0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.052 -2.198 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.385 -3.320 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.674 -1.899 -3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.968 0.037 -1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.585 0.462 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.239 0.554 -0.470 1.00 0.00 H new ATOM 289 N LYS A 21 -10.220 -3.502 -1.554 1.00 0.00 N ATOM 290 CA LYS A 21 -10.740 -4.851 -1.404 1.00 0.00 C ATOM 291 C LYS A 21 -9.789 -5.837 -2.086 1.00 0.00 C ATOM 292 O LYS A 21 -10.041 -6.272 -3.209 1.00 0.00 O ATOM 293 CB LYS A 21 -12.179 -4.930 -1.916 1.00 0.00 C ATOM 294 CG LYS A 21 -13.173 -4.545 -0.818 1.00 0.00 C ATOM 295 CD LYS A 21 -14.594 -4.974 -1.189 1.00 0.00 C ATOM 296 CE LYS A 21 -15.204 -5.855 -0.097 1.00 0.00 C ATOM 297 NZ LYS A 21 -15.918 -7.005 -0.697 1.00 0.00 N ATOM 0 H LYS A 21 -10.499 -3.031 -2.414 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.786 -5.128 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.301 -4.266 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.390 -5.941 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.882 -5.014 0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.145 -3.467 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.216 -4.092 -1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.579 -5.518 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.420 -6.214 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.893 -5.268 0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.326 -7.593 0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.679 -6.657 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.251 -7.574 -1.256 1.00 0.00 H new ATOM 311 N VAL A 22 -8.717 -6.162 -1.378 1.00 0.00 N ATOM 312 CA VAL A 22 -7.728 -7.089 -1.901 1.00 0.00 C ATOM 313 C VAL A 22 -8.285 -8.513 -1.835 1.00 0.00 C ATOM 314 O VAL A 22 -9.488 -8.705 -1.668 1.00 0.00 O ATOM 315 CB VAL A 22 -6.408 -6.928 -1.144 1.00 0.00 C ATOM 316 CG1 VAL A 22 -5.970 -5.462 -1.113 1.00 0.00 C ATOM 317 CG2 VAL A 22 -6.515 -7.498 0.271 1.00 0.00 C ATOM 0 H VAL A 22 -8.512 -5.800 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.516 -6.871 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.644 -7.495 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.029 -5.375 -0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.835 -5.101 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.734 -4.865 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.564 -7.371 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.297 -6.971 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.760 -8.559 0.218 1.00 0.00 H new ATOM 643 N GLN A 44 8.019 0.170 -1.046 1.00 0.00 N ATOM 644 CA GLN A 44 8.003 1.354 -0.204 1.00 0.00 C ATOM 645 C GLN A 44 8.768 2.494 -0.877 1.00 0.00 C ATOM 646 O GLN A 44 8.413 3.662 -0.721 1.00 0.00 O ATOM 647 CB GLN A 44 8.579 1.049 1.180 1.00 0.00 C ATOM 648 CG GLN A 44 9.878 0.248 1.070 1.00 0.00 C ATOM 649 CD GLN A 44 10.941 0.793 2.026 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.802 0.754 3.237 1.00 0.00 O ATOM 651 NE2 GLN A 44 12.007 1.302 1.416 1.00 0.00 N ATOM 0 HA GLN A 44 6.968 1.667 -0.070 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.767 1.981 1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.850 0.488 1.765 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.683 -0.800 1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.249 0.289 0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.060 1.303 0.397 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.772 1.691 1.967 1.00 0.00 H new ATOM 660 N GLU A 45 9.805 2.117 -1.611 1.00 0.00 N ATOM 661 CA GLU A 45 10.623 3.094 -2.308 1.00 0.00 C ATOM 662 C GLU A 45 9.756 3.951 -3.233 1.00 0.00 C ATOM 663 O GLU A 45 9.894 5.173 -3.263 1.00 0.00 O ATOM 664 CB GLU A 45 11.747 2.410 -3.090 1.00 0.00 C ATOM 665 CG GLU A 45 13.108 3.012 -2.733 1.00 0.00 C ATOM 666 CD GLU A 45 14.248 2.171 -3.311 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.558 2.379 -4.504 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.783 1.339 -2.547 1.00 0.00 O ATOM 0 H GLU A 45 10.097 1.148 -1.738 1.00 0.00 H new ATOM 0 HA GLU A 45 11.084 3.747 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.749 1.342 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.568 2.516 -4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.171 4.030 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.210 3.073 -1.649 1.00 0.00 H new ATOM 675 N ALA A 46 8.880 3.276 -3.963 1.00 0.00 N ATOM 676 CA ALA A 46 7.990 3.960 -4.886 1.00 0.00 C ATOM 677 C ALA A 46 7.237 5.063 -4.138 1.00 0.00 C ATOM 678 O ALA A 46 7.514 6.246 -4.327 1.00 0.00 O ATOM 679 CB ALA A 46 7.046 2.945 -5.532 1.00 0.00 C ATOM 0 H ALA A 46 8.768 2.263 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 46 8.558 4.433 -5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.379 3.458 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.628 2.200 -6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.457 2.452 -4.758 1.00 0.00 H new ATOM 685 N ILE A 47 6.300 4.635 -3.305 1.00 0.00 N ATOM 686 CA ILE A 47 5.506 5.571 -2.528 1.00 0.00 C ATOM 687 C ILE A 47 6.438 6.514 -1.764 1.00 0.00 C ATOM 688 O ILE A 47 6.214 7.723 -1.732 1.00 0.00 O ATOM 689 CB ILE A 47 4.520 4.821 -1.630 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.490 4.057 -2.465 1.00 0.00 C ATOM 691 CG2 ILE A 47 3.856 5.771 -0.631 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.117 2.732 -1.797 1.00 0.00 C ATOM 0 H ILE A 47 6.073 3.653 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 47 4.896 6.190 -3.186 1.00 0.00 H new ATOM 0 HB ILE A 47 5.077 4.084 -1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.596 4.667 -2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.892 3.866 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.160 5.212 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.619 6.231 -0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.315 6.547 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.384 2.209 -2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.009 2.114 -1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.693 2.928 -0.812 1.00 0.00 H new ATOM 704 N ASN A 48 7.464 5.925 -1.168 1.00 0.00 N ATOM 705 CA ASN A 48 8.432 6.697 -0.407 1.00 0.00 C ATOM 706 C ASN A 48 8.916 7.876 -1.253 1.00 0.00 C ATOM 707 O ASN A 48 9.110 8.976 -0.738 1.00 0.00 O ATOM 708 CB ASN A 48 9.649 5.846 -0.040 1.00 0.00 C ATOM 709 CG ASN A 48 10.808 6.724 0.436 1.00 0.00 C ATOM 710 OD1 ASN A 48 10.624 7.757 1.058 1.00 0.00 O ATOM 711 ND2 ASN A 48 12.010 6.257 0.111 1.00 0.00 N ATOM 0 H ASN A 48 7.646 4.922 -1.197 1.00 0.00 H new ATOM 0 HA ASN A 48 7.946 7.042 0.505 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.379 5.138 0.743 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.962 5.261 -0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.848 6.771 0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.094 5.385 -0.411 1.00 0.00 H new ATOM 718 N ASP A 49 9.098 7.606 -2.537 1.00 0.00 N ATOM 719 CA ASP A 49 9.557 8.631 -3.460 1.00 0.00 C ATOM 720 C ASP A 49 8.457 9.680 -3.636 1.00 0.00 C ATOM 721 O ASP A 49 8.743 10.872 -3.738 1.00 0.00 O ATOM 722 CB ASP A 49 9.867 8.035 -4.834 1.00 0.00 C ATOM 723 CG ASP A 49 10.884 8.821 -5.665 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.823 9.365 -5.045 1.00 0.00 O ATOM 725 OD2 ASP A 49 10.698 8.860 -6.900 1.00 0.00 O ATOM 0 H ASP A 49 8.936 6.692 -2.961 1.00 0.00 H new ATOM 0 HA ASP A 49 10.463 9.076 -3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.239 7.020 -4.697 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.938 7.961 -5.399 1.00 0.00 H new ATOM 730 N LEU A 50 7.223 9.199 -3.667 1.00 0.00 N ATOM 731 CA LEU A 50 6.080 10.081 -3.829 1.00 0.00 C ATOM 732 C LEU A 50 5.880 10.891 -2.546 1.00 0.00 C ATOM 733 O LEU A 50 5.489 12.056 -2.598 1.00 0.00 O ATOM 734 CB LEU A 50 4.845 9.284 -4.252 1.00 0.00 C ATOM 735 CG LEU A 50 4.618 9.148 -5.760 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.795 7.899 -6.080 1.00 0.00 C ATOM 737 CD2 LEU A 50 3.984 10.416 -6.336 1.00 0.00 C ATOM 0 H LEU A 50 6.990 8.210 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 50 6.261 10.795 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.918 8.284 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.965 9.755 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 50 5.588 9.026 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.648 7.826 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.324 7.014 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.826 7.965 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.834 10.293 -7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.023 10.594 -5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.643 11.266 -6.157 1.00 0.00 H new ATOM 749 N VAL A 51 6.157 10.241 -1.425 1.00 0.00 N ATOM 750 CA VAL A 51 6.012 10.886 -0.131 1.00 0.00 C ATOM 751 C VAL A 51 7.047 12.005 -0.005 1.00 0.00 C ATOM 752 O VAL A 51 6.852 12.954 0.753 1.00 0.00 O ATOM 753 CB VAL A 51 6.117 9.846 0.987 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.168 10.520 2.359 1.00 0.00 C ATOM 755 CG2 VAL A 51 4.965 8.842 0.911 1.00 0.00 C ATOM 0 H VAL A 51 6.481 9.275 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 51 5.027 11.343 -0.040 1.00 0.00 H new ATOM 0 HB VAL A 51 7.049 9.298 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.242 9.759 3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.037 11.177 2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.261 11.106 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.063 8.114 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.016 9.369 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.994 8.327 -0.049 1.00 0.00 H new ATOM 765 N LYS A 52 8.127 11.858 -0.760 1.00 0.00 N ATOM 766 CA LYS A 52 9.193 12.844 -0.742 1.00 0.00 C ATOM 767 C LYS A 52 8.903 13.921 -1.790 1.00 0.00 C ATOM 768 O LYS A 52 9.317 15.069 -1.636 1.00 0.00 O ATOM 769 CB LYS A 52 10.553 12.166 -0.917 1.00 0.00 C ATOM 770 CG LYS A 52 11.093 11.666 0.425 1.00 0.00 C ATOM 771 CD LYS A 52 12.344 12.445 0.837 1.00 0.00 C ATOM 772 CE LYS A 52 13.174 11.653 1.850 1.00 0.00 C ATOM 773 NZ LYS A 52 14.537 12.219 1.959 1.00 0.00 N ATOM 0 H LYS A 52 8.286 11.070 -1.388 1.00 0.00 H new ATOM 0 HA LYS A 52 9.234 13.343 0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.460 11.330 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.260 12.869 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.326 11.771 1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.329 10.604 0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.948 12.662 -0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.055 13.403 1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.686 11.674 2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.231 10.608 1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.087 11.670 2.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.006 12.176 1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.478 13.209 2.272 1.00 0.00 H new ATOM 787 N LYS A 53 8.196 13.511 -2.833 1.00 0.00 N ATOM 788 CA LYS A 53 7.846 14.426 -3.906 1.00 0.00 C ATOM 789 C LYS A 53 6.760 15.387 -3.418 1.00 0.00 C ATOM 790 O LYS A 53 6.485 16.397 -4.063 1.00 0.00 O ATOM 791 CB LYS A 53 7.459 13.650 -5.167 1.00 0.00 C ATOM 792 CG LYS A 53 8.701 13.236 -5.959 1.00 0.00 C ATOM 793 CD LYS A 53 8.574 13.640 -7.429 1.00 0.00 C ATOM 794 CE LYS A 53 7.217 13.218 -7.998 1.00 0.00 C ATOM 795 NZ LYS A 53 7.399 12.303 -9.146 1.00 0.00 N ATOM 0 H LYS A 53 7.856 12.557 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 53 8.707 15.033 -4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.887 12.764 -4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.813 14.265 -5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.585 13.702 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.841 12.158 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.693 14.719 -7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.374 13.178 -8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.628 12.727 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.658 14.099 -8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.469 12.026 -9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.943 12.784 -9.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.914 11.454 -8.835 1.00 0.00 H new ATOM 809 N TYR A 54 6.173 15.039 -2.282 1.00 0.00 N ATOM 810 CA TYR A 54 5.124 15.858 -1.700 1.00 0.00 C ATOM 811 C TYR A 54 5.655 16.668 -0.515 1.00 0.00 C ATOM 812 O TYR A 54 6.847 16.630 -0.217 1.00 0.00 O ATOM 813 CB TYR A 54 4.057 14.883 -1.198 1.00 0.00 C ATOM 814 CG TYR A 54 3.116 14.374 -2.292 1.00 0.00 C ATOM 815 CD1 TYR A 54 3.632 13.900 -3.481 1.00 0.00 C ATOM 816 CD2 TYR A 54 1.751 14.388 -2.089 1.00 0.00 C ATOM 817 CE1 TYR A 54 2.746 13.422 -4.510 1.00 0.00 C ATOM 818 CE2 TYR A 54 0.865 13.910 -3.118 1.00 0.00 C ATOM 819 CZ TYR A 54 1.406 13.450 -4.278 1.00 0.00 C ATOM 820 OH TYR A 54 0.569 12.997 -5.250 1.00 0.00 O ATOM 0 H TYR A 54 6.404 14.201 -1.749 1.00 0.00 H new ATOM 0 HA TYR A 54 4.734 16.562 -2.435 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.550 14.030 -0.731 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.466 15.373 -0.424 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.700 13.888 -3.639 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.347 14.758 -1.158 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.137 13.049 -5.445 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.205 13.917 -2.972 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.359 13.076 -4.945 1.00 0.00 H new ATOM 830 N THR A 55 4.743 17.383 0.127 1.00 0.00 N ATOM 831 CA THR A 55 5.104 18.201 1.273 1.00 0.00 C ATOM 832 C THR A 55 4.593 17.563 2.566 1.00 0.00 C ATOM 833 O THR A 55 3.391 17.369 2.734 1.00 0.00 O ATOM 834 CB THR A 55 4.561 19.612 1.036 1.00 0.00 C ATOM 835 OG1 THR A 55 5.571 20.246 0.255 1.00 0.00 O ATOM 836 CG2 THR A 55 4.507 20.442 2.320 1.00 0.00 C ATOM 0 H THR A 55 3.755 17.413 -0.124 1.00 0.00 H new ATOM 0 HA THR A 55 6.186 18.268 1.386 1.00 0.00 H new ATOM 0 HB THR A 55 3.563 19.549 0.603 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.300 21.166 0.054 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.115 21.434 2.096 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.858 19.950 3.044 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.510 20.534 2.736 1.00 0.00 H new ATOM 844 N LEU A 56 5.534 17.255 3.447 1.00 0.00 N ATOM 845 CA LEU A 56 5.194 16.643 4.720 1.00 0.00 C ATOM 846 C LEU A 56 4.092 15.603 4.504 1.00 0.00 C ATOM 847 O LEU A 56 3.000 15.727 5.055 1.00 0.00 O ATOM 848 CB LEU A 56 4.834 17.715 5.751 1.00 0.00 C ATOM 849 CG LEU A 56 5.976 18.633 6.191 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.317 17.896 6.156 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.004 19.913 5.353 1.00 0.00 C ATOM 0 H LEU A 56 6.531 17.418 3.304 1.00 0.00 H new ATOM 0 HA LEU A 56 6.055 16.115 5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.036 18.333 5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.431 17.220 6.635 1.00 0.00 H new ATOM 0 HG LEU A 56 5.798 18.928 7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.112 18.571 6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.279 17.039 6.829 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.517 17.552 5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.825 20.548 5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.146 19.657 4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.061 20.447 5.472 1.00 0.00 H new ATOM 863 N ALA A 57 4.418 14.601 3.700 1.00 0.00 N ATOM 864 CA ALA A 57 3.470 13.541 3.404 1.00 0.00 C ATOM 865 C ALA A 57 3.882 12.271 4.151 1.00 0.00 C ATOM 866 O ALA A 57 5.028 12.142 4.578 1.00 0.00 O ATOM 867 CB ALA A 57 3.396 13.329 1.891 1.00 0.00 C ATOM 0 H ALA A 57 5.325 14.501 3.245 1.00 0.00 H new ATOM 0 HA ALA A 57 2.471 13.814 3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.685 12.533 1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.071 14.251 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.380 13.051 1.514 1.00 0.00 H new ATOM 873 N ARG A 58 2.924 11.365 4.287 1.00 0.00 N ATOM 874 CA ARG A 58 3.173 10.110 4.975 1.00 0.00 C ATOM 875 C ARG A 58 2.130 9.067 4.570 1.00 0.00 C ATOM 876 O ARG A 58 0.929 9.321 4.650 1.00 0.00 O ATOM 877 CB ARG A 58 3.134 10.297 6.493 1.00 0.00 C ATOM 878 CG ARG A 58 4.532 10.586 7.046 1.00 0.00 C ATOM 879 CD ARG A 58 4.600 10.292 8.546 1.00 0.00 C ATOM 880 NE ARG A 58 5.854 9.575 8.865 1.00 0.00 N ATOM 881 CZ ARG A 58 6.256 9.279 10.108 1.00 0.00 C ATOM 882 NH1 ARG A 58 5.503 9.638 11.158 1.00 0.00 N ATOM 883 NH2 ARG A 58 7.409 8.625 10.303 1.00 0.00 N ATOM 0 H ARG A 58 1.974 11.476 3.932 1.00 0.00 H new ATOM 0 HA ARG A 58 4.167 9.766 4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.463 11.118 6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.731 9.400 6.963 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.268 9.979 6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.790 11.629 6.864 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.550 11.223 9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.741 9.691 8.846 1.00 0.00 H new ATOM 0 HE ARG A 58 6.450 9.288 8.089 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.625 10.136 11.010 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.808 9.413 12.105 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.982 8.352 9.504 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.714 8.400 11.250 1.00 0.00 H new ATOM 897 N ALA A 59 2.627 7.915 4.144 1.00 0.00 N ATOM 898 CA ALA A 59 1.753 6.832 3.726 1.00 0.00 C ATOM 899 C ALA A 59 1.997 5.612 4.617 1.00 0.00 C ATOM 900 O ALA A 59 3.090 5.440 5.154 1.00 0.00 O ATOM 901 CB ALA A 59 1.988 6.528 2.245 1.00 0.00 C ATOM 0 H ALA A 59 3.624 7.708 4.079 1.00 0.00 H new ATOM 0 HA ALA A 59 0.707 7.119 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.332 5.716 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.773 7.417 1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.027 6.234 2.094 1.00 0.00 H new ATOM 907 N PHE A 60 0.960 4.797 4.748 1.00 0.00 N ATOM 908 CA PHE A 60 1.048 3.599 5.565 1.00 0.00 C ATOM 909 C PHE A 60 -0.057 2.605 5.202 1.00 0.00 C ATOM 910 O PHE A 60 -0.822 2.837 4.266 1.00 0.00 O ATOM 911 CB PHE A 60 0.868 4.035 7.020 1.00 0.00 C ATOM 912 CG PHE A 60 2.182 4.283 7.763 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.084 3.275 7.904 1.00 0.00 C ATOM 914 CD2 PHE A 60 2.448 5.511 8.283 1.00 0.00 C ATOM 915 CE1 PHE A 60 4.304 3.505 8.593 1.00 0.00 C ATOM 916 CE2 PHE A 60 3.668 5.741 8.973 1.00 0.00 C ATOM 917 CZ PHE A 60 4.570 4.733 9.114 1.00 0.00 C ATOM 0 H PHE A 60 0.055 4.943 4.302 1.00 0.00 H new ATOM 0 HA PHE A 60 2.008 3.109 5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.271 4.947 7.044 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.302 3.270 7.550 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.872 2.299 7.492 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.732 6.311 8.171 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.021 2.705 8.703 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.879 6.716 9.386 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.497 4.907 9.640 1.00 0.00 H new ATOM 927 N VAL A 61 -0.106 1.520 5.960 1.00 0.00 N ATOM 928 CA VAL A 61 -1.104 0.490 5.730 1.00 0.00 C ATOM 929 C VAL A 61 -1.682 0.038 7.073 1.00 0.00 C ATOM 930 O VAL A 61 -0.974 0.003 8.078 1.00 0.00 O ATOM 931 CB VAL A 61 -0.496 -0.658 4.924 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.389 -0.292 3.442 1.00 0.00 C ATOM 933 CG2 VAL A 61 0.868 -1.062 5.488 1.00 0.00 C ATOM 0 H VAL A 61 0.530 1.332 6.735 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.929 0.883 5.136 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.162 -1.516 5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.047 -1.126 2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.382 -0.076 3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.245 0.588 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.278 -1.880 4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.546 -0.209 5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.753 -1.385 6.523 1.00 0.00 H new ATOM 1059 N VAL A 70 -8.593 -3.830 3.171 1.00 0.00 N ATOM 1060 CA VAL A 70 -7.337 -3.172 3.487 1.00 0.00 C ATOM 1061 C VAL A 70 -7.519 -1.657 3.380 1.00 0.00 C ATOM 1062 O VAL A 70 -7.833 -1.140 2.308 1.00 0.00 O ATOM 1063 CB VAL A 70 -6.224 -3.706 2.583 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -4.993 -2.800 2.634 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -5.861 -5.146 2.952 1.00 0.00 C ATOM 0 HA VAL A 70 -7.038 -3.392 4.512 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.597 -3.706 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.217 -3.203 1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.264 -1.799 2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.619 -2.752 3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.068 -5.501 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.518 -5.181 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.738 -5.783 2.839 1.00 0.00 H new ATOM 1075 N ARG A 71 -7.314 -0.987 4.504 1.00 0.00 N ATOM 1076 CA ARG A 71 -7.451 0.458 4.550 1.00 0.00 C ATOM 1077 C ARG A 71 -6.094 1.128 4.324 1.00 0.00 C ATOM 1078 O ARG A 71 -5.209 1.049 5.175 1.00 0.00 O ATOM 1079 CB ARG A 71 -8.020 0.915 5.895 1.00 0.00 C ATOM 1080 CG ARG A 71 -9.547 0.827 5.903 1.00 0.00 C ATOM 1081 CD ARG A 71 -10.157 1.954 6.739 1.00 0.00 C ATOM 1082 NE ARG A 71 -10.544 1.443 8.072 1.00 0.00 N ATOM 1083 CZ ARG A 71 -11.049 2.205 9.052 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -11.230 3.518 8.853 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -11.371 1.655 10.230 1.00 0.00 N ATOM 0 H ARG A 71 -7.054 -1.419 5.391 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.141 0.751 3.758 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.612 0.297 6.695 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.710 1.941 6.095 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.923 0.883 4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.857 -0.138 6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.439 2.767 6.847 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.030 2.364 6.230 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.419 0.448 8.257 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.983 3.937 7.956 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.614 4.099 9.598 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.232 0.656 10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.755 2.235 10.976 1.00 0.00 H new ATOM 1099 N VAL A 72 -5.972 1.773 3.173 1.00 0.00 N ATOM 1100 CA VAL A 72 -4.738 2.456 2.825 1.00 0.00 C ATOM 1101 C VAL A 72 -4.707 3.825 3.507 1.00 0.00 C ATOM 1102 O VAL A 72 -5.663 4.593 3.408 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.600 2.543 1.303 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -3.707 3.718 0.901 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.072 1.229 0.724 1.00 0.00 C ATOM 0 H VAL A 72 -6.708 1.837 2.469 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.876 1.894 3.185 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.592 2.717 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.625 3.758 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.143 4.648 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.716 3.587 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.983 1.318 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.093 1.010 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.762 0.421 0.966 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.600 4.087 4.185 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.432 5.350 4.884 1.00 0.00 C ATOM 1117 C TYR A 73 -2.566 6.315 4.073 1.00 0.00 C ATOM 1118 O TYR A 73 -1.691 5.888 3.321 1.00 0.00 O ATOM 1119 CB TYR A 73 -2.713 5.016 6.193 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.450 5.491 7.446 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -4.807 5.276 7.573 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -2.757 6.135 8.451 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.501 5.723 8.753 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -3.450 6.582 9.632 1.00 0.00 C ATOM 1125 CZ TYR A 73 -4.788 6.354 9.724 1.00 0.00 C ATOM 1126 OH TYR A 73 -5.443 6.777 10.839 1.00 0.00 O ATOM 0 H TYR A 73 -2.810 3.447 4.265 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.398 5.829 5.048 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.573 3.937 6.254 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.720 5.466 6.175 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.349 4.772 6.787 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.695 6.304 8.352 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.563 5.561 8.864 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.920 7.086 10.426 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.808 7.210 11.447 1.00 0.00 H new ATOM 1136 N ALA A 74 -2.839 7.599 4.252 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.096 8.629 3.545 1.00 0.00 C ATOM 1138 C ALA A 74 -2.476 10.001 4.105 1.00 0.00 C ATOM 1139 O ALA A 74 -3.634 10.238 4.443 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.368 8.515 2.044 1.00 0.00 C ATOM 0 H ALA A 74 -3.565 7.950 4.877 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.024 8.499 3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.811 9.287 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.053 7.533 1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.434 8.643 1.857 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.478 10.869 4.185 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.693 12.211 4.697 1.00 0.00 C ATOM 1148 C GLU A 75 -0.748 13.199 4.011 1.00 0.00 C ATOM 1149 O GLU A 75 0.052 12.811 3.161 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.520 12.252 6.217 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.042 12.354 6.598 1.00 0.00 C ATOM 1152 CD GLU A 75 0.371 13.813 6.806 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -0.521 14.609 7.170 1.00 0.00 O ATOM 1154 OE2 GLU A 75 1.570 14.098 6.597 1.00 0.00 O ATOM 0 H GLU A 75 -0.518 10.669 3.904 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.719 12.504 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.064 13.103 6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.952 11.355 6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.142 11.787 7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.571 11.907 5.815 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.870 14.458 4.407 1.00 0.00 N ATOM 1162 CA ALA A 76 -0.036 15.505 3.840 1.00 0.00 C ATOM 1163 C ALA A 76 -0.379 16.839 4.505 1.00 0.00 C ATOM 1164 O ALA A 76 -1.423 16.969 5.143 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.226 15.543 2.323 1.00 0.00 C ATOM 0 H ALA A 76 -1.533 14.777 5.113 1.00 0.00 H new ATOM 0 HA ALA A 76 1.018 15.303 4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.399 16.328 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.059 14.581 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.272 15.747 2.092 1.00 0.00 H new ATOM 1171 N ASN A 77 0.519 17.798 4.333 1.00 0.00 N ATOM 1172 CA ASN A 77 0.325 19.118 4.908 1.00 0.00 C ATOM 1173 C ASN A 77 -0.900 19.774 4.267 1.00 0.00 C ATOM 1174 O ASN A 77 -1.679 20.440 4.946 1.00 0.00 O ATOM 1175 CB ASN A 77 1.534 20.017 4.645 1.00 0.00 C ATOM 1176 CG ASN A 77 1.391 21.356 5.371 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.348 21.691 5.909 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.493 22.101 5.356 1.00 0.00 N ATOM 0 H ASN A 77 1.383 17.687 3.803 1.00 0.00 H new ATOM 0 HA ASN A 77 0.190 19.000 5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.443 19.515 4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.637 20.189 3.574 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.498 23.013 5.813 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.332 21.760 4.887 1.00 0.00 H new ATOM 1185 N SER A 78 -1.032 19.562 2.965 1.00 0.00 N ATOM 1186 CA SER A 78 -2.148 20.124 2.225 1.00 0.00 C ATOM 1187 C SER A 78 -3.257 19.080 2.078 1.00 0.00 C ATOM 1188 O SER A 78 -2.992 17.879 2.109 1.00 0.00 O ATOM 1189 CB SER A 78 -1.702 20.621 0.849 1.00 0.00 C ATOM 1190 OG SER A 78 -0.425 21.253 0.897 1.00 0.00 O ATOM 0 H SER A 78 -0.384 19.009 2.404 1.00 0.00 H new ATOM 0 HA SER A 78 -2.533 20.978 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.665 19.781 0.155 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.440 21.323 0.461 1.00 0.00 H new ATOM 0 HG SER A 78 -0.175 21.555 -0.001 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.476 19.576 1.921 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.626 18.701 1.770 1.00 0.00 C ATOM 1198 C GLN A 79 -5.542 17.938 0.446 1.00 0.00 C ATOM 1199 O GLN A 79 -5.704 16.719 0.417 1.00 0.00 O ATOM 1200 CB GLN A 79 -6.932 19.492 1.865 1.00 0.00 C ATOM 1201 CG GLN A 79 -8.049 18.635 2.465 1.00 0.00 C ATOM 1202 CD GLN A 79 -8.859 19.430 3.491 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.122 20.611 3.333 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -9.237 18.720 4.550 1.00 0.00 N ATOM 0 H GLN A 79 -4.692 20.573 1.895 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.617 17.977 2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.780 20.380 2.479 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.226 19.837 0.874 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.707 18.282 1.671 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.620 17.753 2.940 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.983 17.735 4.620 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.781 19.161 5.292 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.288 18.688 -0.617 1.00 0.00 N ATOM 1214 CA GLU A 80 -5.181 18.097 -1.940 1.00 0.00 C ATOM 1215 C GLU A 80 -4.254 16.880 -1.905 1.00 0.00 C ATOM 1216 O GLU A 80 -4.692 15.755 -2.138 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.695 19.127 -2.962 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.709 19.296 -4.095 1.00 0.00 C ATOM 1219 CD GLU A 80 -5.380 18.371 -5.268 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -4.520 18.770 -6.082 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -5.996 17.284 -5.324 1.00 0.00 O ATOM 0 H GLU A 80 -5.153 19.699 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.172 17.765 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.533 20.085 -2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.735 18.813 -3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.711 19.079 -3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.712 20.332 -4.434 1.00 0.00 H new ATOM 1228 N SER A 81 -2.990 17.147 -1.611 1.00 0.00 N ATOM 1229 CA SER A 81 -1.998 16.088 -1.542 1.00 0.00 C ATOM 1230 C SER A 81 -2.499 14.960 -0.639 1.00 0.00 C ATOM 1231 O SER A 81 -2.378 13.785 -0.982 1.00 0.00 O ATOM 1232 CB SER A 81 -0.658 16.621 -1.031 1.00 0.00 C ATOM 1233 OG SER A 81 -0.643 18.044 -0.955 1.00 0.00 O ATOM 0 H SER A 81 -2.630 18.082 -1.418 1.00 0.00 H new ATOM 0 HA SER A 81 -1.844 15.698 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.454 16.203 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.141 16.285 -1.691 1.00 0.00 H new ATOM 0 HG SER A 81 -0.753 18.421 -1.853 1.00 0.00 H new ATOM 1239 N ALA A 82 -3.052 15.356 0.498 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.572 14.392 1.453 1.00 0.00 C ATOM 1241 C ALA A 82 -4.441 13.370 0.718 1.00 0.00 C ATOM 1242 O ALA A 82 -4.202 12.167 0.809 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.341 15.127 2.553 1.00 0.00 C ATOM 0 H ALA A 82 -3.151 16.331 0.779 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.757 13.848 1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.731 14.404 3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.672 15.820 3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.168 15.682 2.110 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.432 13.886 0.006 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.338 13.033 -0.745 1.00 0.00 C ATOM 1251 C ASP A 83 -5.596 12.439 -1.943 1.00 0.00 C ATOM 1252 O ASP A 83 -5.513 11.220 -2.084 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.532 13.830 -1.275 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.847 13.052 -1.347 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -8.767 11.815 -1.512 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.903 13.711 -1.235 1.00 0.00 O ATOM 0 H ASP A 83 -5.628 14.884 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.696 12.249 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.678 14.703 -0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.290 14.199 -2.272 1.00 0.00 H new ATOM 1261 N ARG A 84 -5.075 13.328 -2.777 1.00 0.00 N ATOM 1262 CA ARG A 84 -4.342 12.906 -3.959 1.00 0.00 C ATOM 1263 C ARG A 84 -3.437 11.718 -3.626 1.00 0.00 C ATOM 1264 O ARG A 84 -3.621 10.625 -4.159 1.00 0.00 O ATOM 1265 CB ARG A 84 -3.490 14.048 -4.515 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.773 14.269 -6.003 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.552 13.907 -6.852 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.789 14.284 -8.264 1.00 0.00 N ATOM 1269 CZ ARG A 84 -2.124 13.760 -9.302 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -1.178 12.834 -9.094 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -2.405 14.162 -10.549 1.00 0.00 N ATOM 0 H ARG A 84 -5.146 14.338 -2.657 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.071 12.611 -4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.697 14.964 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.433 13.821 -4.372 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.626 13.663 -6.309 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.044 15.311 -6.175 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.669 14.422 -6.473 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.353 12.838 -6.781 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.503 14.986 -8.458 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.964 12.528 -8.145 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.672 12.435 -9.885 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.125 14.867 -10.708 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.899 13.763 -11.340 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.478 11.974 -2.748 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.543 10.939 -2.339 1.00 0.00 C ATOM 1287 C LEU A 85 -2.320 9.677 -1.959 1.00 0.00 C ATOM 1288 O LEU A 85 -2.037 8.593 -2.466 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.627 11.455 -1.228 1.00 0.00 C ATOM 1290 CG LEU A 85 0.590 10.585 -0.904 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.697 10.784 -1.942 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.086 10.844 0.520 1.00 0.00 C ATOM 0 H LEU A 85 -2.328 12.882 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.885 10.671 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.275 12.448 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.219 11.570 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 85 0.286 9.539 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.550 10.155 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.324 10.510 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.006 11.829 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.951 10.213 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.369 11.892 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.292 10.612 1.230 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.286 9.860 -1.070 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.106 8.750 -0.616 1.00 0.00 C ATOM 1306 C ALA A 86 -4.665 8.006 -1.830 1.00 0.00 C ATOM 1307 O ALA A 86 -4.263 6.878 -2.111 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.208 9.273 0.307 1.00 0.00 C ATOM 0 H ALA A 86 -3.519 10.761 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.510 8.041 -0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.823 8.440 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.758 9.767 1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.830 9.985 -0.236 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.586 8.667 -2.517 1.00 0.00 N ATOM 1315 CA TYR A 87 -6.205 8.082 -3.694 1.00 0.00 C ATOM 1316 C TYR A 87 -5.166 7.370 -4.563 1.00 0.00 C ATOM 1317 O TYR A 87 -5.401 6.256 -5.029 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.798 9.251 -4.483 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.832 9.026 -5.996 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.474 7.919 -6.515 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -6.222 9.929 -6.842 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -7.506 7.708 -7.939 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -6.254 9.718 -8.266 1.00 0.00 C ATOM 1324 CZ TYR A 87 -6.895 8.618 -8.744 1.00 0.00 C ATOM 1325 OH TYR A 87 -6.925 8.418 -10.089 1.00 0.00 O ATOM 0 H TYR A 87 -5.918 9.602 -2.281 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.957 7.347 -3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.813 9.436 -4.131 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.218 10.150 -4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -7.952 7.212 -5.853 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.720 10.795 -6.436 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.004 6.846 -8.358 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.780 10.417 -8.939 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.450 9.148 -10.539 1.00 0.00 H new ATOM 1335 N GLU A 88 -4.041 8.042 -4.755 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.966 7.487 -5.560 1.00 0.00 C ATOM 1337 C GLU A 88 -2.448 6.191 -4.933 1.00 0.00 C ATOM 1338 O GLU A 88 -2.636 5.110 -5.488 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.834 8.502 -5.737 1.00 0.00 C ATOM 1340 CG GLU A 88 -2.241 9.613 -6.707 1.00 0.00 C ATOM 1341 CD GLU A 88 -1.104 9.934 -7.680 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.181 10.662 -7.254 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -1.184 9.445 -8.827 1.00 0.00 O ATOM 0 H GLU A 88 -3.850 8.966 -4.367 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.361 7.256 -6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.574 8.935 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.943 7.997 -6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.126 9.308 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.510 10.509 -6.148 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.805 6.343 -3.784 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.258 5.198 -3.076 1.00 0.00 C ATOM 1352 C VAL A 89 -2.226 4.020 -3.196 1.00 0.00 C ATOM 1353 O VAL A 89 -1.863 2.964 -3.712 1.00 0.00 O ATOM 1354 CB VAL A 89 -0.955 5.577 -1.624 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -0.772 4.328 -0.759 1.00 0.00 C ATOM 1356 CG2 VAL A 89 0.272 6.487 -1.540 1.00 0.00 C ATOM 0 H VAL A 89 -1.651 7.241 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.313 4.889 -3.522 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.810 6.131 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.558 4.625 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.685 3.733 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.057 3.736 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.466 6.742 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.138 5.970 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.088 7.399 -2.108 1.00 0.00 H new ATOM 1366 N SER A 90 -3.440 4.240 -2.711 1.00 0.00 N ATOM 1367 CA SER A 90 -4.463 3.209 -2.758 1.00 0.00 C ATOM 1368 C SER A 90 -4.430 2.500 -4.114 1.00 0.00 C ATOM 1369 O SER A 90 -4.508 1.274 -4.180 1.00 0.00 O ATOM 1370 CB SER A 90 -5.851 3.798 -2.501 1.00 0.00 C ATOM 1371 OG SER A 90 -5.935 5.162 -2.906 1.00 0.00 O ATOM 0 H SER A 90 -3.738 5.117 -2.284 1.00 0.00 H new ATOM 0 HA SER A 90 -4.254 2.484 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.598 3.214 -3.038 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.087 3.720 -1.440 1.00 0.00 H new ATOM 0 HG SER A 90 -5.968 5.211 -3.884 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.313 3.302 -5.162 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.268 2.767 -6.512 1.00 0.00 C ATOM 1379 C LEU A 91 -3.000 1.928 -6.682 1.00 0.00 C ATOM 1380 O LEU A 91 -3.062 0.787 -7.139 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.403 3.893 -7.540 1.00 0.00 C ATOM 1382 CG LEU A 91 -5.794 4.080 -8.150 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -5.872 5.385 -8.944 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.188 2.869 -8.998 1.00 0.00 C ATOM 0 H LEU A 91 -4.248 4.318 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.115 2.104 -6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.107 4.829 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.695 3.707 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.517 4.153 -7.338 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.871 5.494 -9.367 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.664 6.226 -8.283 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.137 5.366 -9.749 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.181 3.028 -9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.467 2.740 -9.805 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.198 1.975 -8.374 1.00 0.00 H new ATOM 1396 N LEU A 92 -1.879 2.526 -6.306 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.598 1.848 -6.412 1.00 0.00 C ATOM 1398 C LEU A 92 -0.745 0.409 -5.913 1.00 0.00 C ATOM 1399 O LEU A 92 -0.359 -0.534 -6.603 1.00 0.00 O ATOM 1400 CB LEU A 92 0.490 2.642 -5.686 1.00 0.00 C ATOM 1401 CG LEU A 92 1.015 3.881 -6.415 1.00 0.00 C ATOM 1402 CD1 LEU A 92 2.256 3.543 -7.245 1.00 0.00 C ATOM 1403 CD2 LEU A 92 -0.084 4.525 -7.263 1.00 0.00 C ATOM 0 H LEU A 92 -1.831 3.472 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.280 1.794 -7.453 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.100 2.953 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.330 1.975 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 92 1.317 4.615 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.609 4.440 -7.753 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.040 3.165 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.003 2.783 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.315 5.403 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.439 3.808 -8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.912 4.823 -6.620 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.303 0.285 -4.718 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.506 -1.023 -4.118 1.00 0.00 C ATOM 1417 C VAL A 93 -2.367 -1.878 -5.049 1.00 0.00 C ATOM 1418 O VAL A 93 -1.914 -2.906 -5.551 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.107 -0.871 -2.720 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.017 -2.183 -1.938 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -1.433 0.270 -1.955 1.00 0.00 C ATOM 0 H VAL A 93 -1.621 1.069 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.553 -1.537 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.162 -0.621 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.451 -2.047 -0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.563 -2.962 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.972 -2.476 -1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.879 0.357 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.367 0.063 -1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.572 1.205 -2.499 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.594 -1.422 -5.253 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.524 -2.132 -6.115 1.00 0.00 C ATOM 1433 C PHE A 94 -3.799 -2.744 -7.316 1.00 0.00 C ATOM 1434 O PHE A 94 -4.115 -3.857 -7.735 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.541 -1.106 -6.617 1.00 0.00 C ATOM 1436 CG PHE A 94 -6.392 -1.597 -7.790 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -5.828 -1.763 -9.016 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -7.713 -1.866 -7.607 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -6.618 -2.219 -10.105 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -8.503 -2.321 -8.696 1.00 0.00 C ATOM 1441 CZ PHE A 94 -7.939 -2.488 -9.922 1.00 0.00 C ATOM 0 H PHE A 94 -3.966 -0.569 -4.836 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.002 -2.941 -5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.200 -0.830 -5.794 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.012 -0.202 -6.919 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.780 -1.548 -9.162 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.161 -1.734 -6.633 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.170 -2.352 -11.079 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.552 -2.534 -8.550 1.00 0.00 H new ATOM 0 HZ PHE A 94 -8.540 -2.834 -10.750 1.00 0.00 H new ATOM 1451 N GLN A 95 -2.841 -1.991 -7.835 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.069 -2.445 -8.979 1.00 0.00 C ATOM 1453 C GLN A 95 -0.991 -3.434 -8.533 1.00 0.00 C ATOM 1454 O GLN A 95 -0.934 -4.560 -9.025 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.453 -1.262 -9.729 1.00 0.00 C ATOM 1456 CG GLN A 95 -2.371 -0.788 -10.857 1.00 0.00 C ATOM 1457 CD GLN A 95 -1.690 -0.939 -12.219 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -1.363 -2.028 -12.661 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -1.495 0.212 -12.856 1.00 0.00 N ATOM 0 H GLN A 95 -2.582 -1.069 -7.484 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.742 -2.958 -9.667 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.271 -0.442 -9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.486 -1.552 -10.140 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.297 -1.364 -10.843 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.642 0.255 -10.696 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.793 1.089 -12.428 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.047 0.218 -13.772 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.161 -2.978 -7.606 1.00 0.00 N ATOM 1469 CA LEU A 96 0.912 -3.809 -7.088 1.00 0.00 C ATOM 1470 C LEU A 96 0.326 -5.114 -6.548 1.00 0.00 C ATOM 1471 O LEU A 96 0.369 -6.143 -7.221 1.00 0.00 O ATOM 1472 CB LEU A 96 1.740 -3.035 -6.060 1.00 0.00 C ATOM 1473 CG LEU A 96 2.465 -1.792 -6.581 1.00 0.00 C ATOM 1474 CD1 LEU A 96 2.184 -0.580 -5.690 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.964 -2.056 -6.735 1.00 0.00 C ATOM 0 H LEU A 96 -0.210 -2.043 -7.200 1.00 0.00 H new ATOM 0 HA LEU A 96 1.605 -4.077 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.081 -2.733 -5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.481 -3.712 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 96 2.076 -1.560 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.711 0.290 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.113 -0.379 -5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.528 -0.786 -4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.456 -1.157 -7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.387 -2.327 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.119 -2.872 -7.441 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.210 -5.030 -5.339 1.00 0.00 N ATOM 1488 CA ALA A 97 -0.804 -6.192 -4.702 1.00 0.00 C ATOM 1489 C ALA A 97 -1.709 -6.912 -5.704 1.00 0.00 C ATOM 1490 O ALA A 97 -1.546 -8.107 -5.946 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.559 -5.755 -3.445 1.00 0.00 C ATOM 0 H ALA A 97 -0.245 -4.175 -4.784 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.031 -6.895 -4.391 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.005 -6.627 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.867 -5.276 -2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.344 -5.050 -3.719 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.643 -6.154 -6.260 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.573 -6.705 -7.231 1.00 0.00 C ATOM 1499 C GLY A 98 -4.988 -6.780 -6.653 1.00 0.00 C ATOM 1500 O GLY A 98 -5.553 -7.865 -6.526 1.00 0.00 O ATOM 0 H GLY A 98 -2.776 -5.163 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.575 -6.087 -8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.245 -7.701 -7.530 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.519 -5.613 -6.318 1.00 0.00 N ATOM 1505 CA GLY A 99 -6.857 -5.533 -5.757 1.00 0.00 C ATOM 1506 C GLY A 99 -7.824 -6.447 -6.512 1.00 0.00 C ATOM 1507 O GLY A 99 -7.555 -6.839 -7.647 1.00 0.00 O ATOM 0 H GLY A 99 -5.047 -4.715 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.831 -5.815 -4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.213 -4.504 -5.803 1.00 0.00 H new ATOM 1511 N ILE A 100 -8.930 -6.759 -5.853 1.00 0.00 N ATOM 1512 CA ILE A 100 -9.939 -7.618 -6.448 1.00 0.00 C ATOM 1513 C ILE A 100 -11.326 -7.038 -6.169 1.00 0.00 C ATOM 1514 O ILE A 100 -11.594 -6.561 -5.067 1.00 0.00 O ATOM 1515 CB ILE A 100 -9.766 -9.060 -5.965 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -10.086 -9.180 -4.473 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -8.368 -9.586 -6.296 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -11.048 -10.340 -4.211 1.00 0.00 C ATOM 0 H ILE A 100 -9.150 -6.432 -4.912 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.820 -7.652 -7.531 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.480 -9.687 -6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.165 -9.333 -3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -10.527 -8.249 -4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -8.272 -10.612 -5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.215 -9.559 -7.375 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.619 -8.962 -5.807 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.259 -10.404 -3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -11.977 -10.172 -4.755 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.594 -11.272 -4.547 1.00 0.00 H new