USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 GLN : amide:sc= -1.54! X(o=-1.5!,f=-1.4) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 160:sc= 0.629 USER MOD Single : A 14 SER OG : rot -0:sc= 0.957 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.733 K(o=-0.73,f=-6.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0303 K(o=-0.03,f=-1!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 41:sc= -1.69 USER MOD Single : A 50 THR OG1 : rot -73:sc= -0.0546 USER MOD Single : A 57 THR OG1 : rot 116:sc= -2.73! USER MOD Single : A 62 ASN : amide:sc= -0.316 K(o=-0.32,f=-1.7!) USER MOD Single : A 64 SER OG : rot 180:sc= -1.65 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0919 K(o=-0.092,f=-2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 10.489 9.240 -5.842 1.00 0.00 N ATOM 57 CA VAL A 5 9.020 9.139 -6.072 1.00 0.00 C ATOM 58 C VAL A 5 8.758 8.090 -7.156 1.00 0.00 C ATOM 59 O VAL A 5 9.540 7.930 -8.072 1.00 0.00 O ATOM 60 CB VAL A 5 8.480 10.499 -6.523 1.00 0.00 C ATOM 61 CG1 VAL A 5 6.978 10.561 -6.259 1.00 0.00 C ATOM 62 CG2 VAL A 5 9.172 11.613 -5.732 1.00 0.00 C ATOM 0 HA VAL A 5 8.518 8.845 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 5 8.674 10.629 -7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.592 11.529 -6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.478 9.768 -6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.790 10.430 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.787 12.581 -6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.976 11.480 -4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.247 11.572 -5.910 1.00 0.00 H new ATOM 72 N SER A 6 7.679 7.360 -7.057 1.00 0.00 N ATOM 73 CA SER A 6 7.405 6.314 -8.087 1.00 0.00 C ATOM 74 C SER A 6 6.358 6.789 -9.091 1.00 0.00 C ATOM 75 O SER A 6 5.202 6.973 -8.763 1.00 0.00 O ATOM 76 CB SER A 6 6.885 5.040 -7.419 1.00 0.00 C ATOM 77 OG SER A 6 7.684 4.743 -6.281 1.00 0.00 O ATOM 0 H SER A 6 6.982 7.440 -6.317 1.00 0.00 H new ATOM 0 HA SER A 6 8.342 6.115 -8.608 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.844 5.171 -7.122 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.914 4.209 -8.124 1.00 0.00 H new ATOM 0 HG SER A 6 7.351 3.928 -5.851 1.00 0.00 H new ATOM 83 N LYS A 7 6.743 6.929 -10.329 1.00 0.00 N ATOM 84 CA LYS A 7 5.761 7.322 -11.371 1.00 0.00 C ATOM 85 C LYS A 7 5.117 6.028 -11.856 1.00 0.00 C ATOM 86 O LYS A 7 5.699 5.285 -12.624 1.00 0.00 O ATOM 87 CB LYS A 7 6.478 8.015 -12.533 1.00 0.00 C ATOM 88 CG LYS A 7 5.443 8.548 -13.525 1.00 0.00 C ATOM 89 CD LYS A 7 5.258 10.051 -13.314 1.00 0.00 C ATOM 90 CE LYS A 7 3.952 10.503 -13.969 1.00 0.00 C ATOM 91 NZ LYS A 7 3.939 11.987 -14.081 1.00 0.00 N ATOM 0 H LYS A 7 7.697 6.788 -10.662 1.00 0.00 H new ATOM 0 HA LYS A 7 5.018 8.016 -10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.094 8.833 -12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.148 7.314 -13.031 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.768 8.351 -14.547 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.493 8.031 -13.388 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.241 10.280 -12.248 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.099 10.595 -13.743 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.853 10.053 -14.957 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.101 10.165 -13.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.051 12.294 -14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.014 12.407 -13.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.743 12.298 -14.662 1.00 0.00 H new ATOM 105 N LEU A 8 3.951 5.713 -11.370 1.00 0.00 N ATOM 106 CA LEU A 8 3.321 4.428 -11.763 1.00 0.00 C ATOM 107 C LEU A 8 2.290 4.615 -12.868 1.00 0.00 C ATOM 108 O LEU A 8 1.384 5.419 -12.771 1.00 0.00 O ATOM 109 CB LEU A 8 2.618 3.819 -10.547 1.00 0.00 C ATOM 110 CG LEU A 8 3.551 2.846 -9.813 1.00 0.00 C ATOM 111 CD1 LEU A 8 2.750 2.050 -8.781 1.00 0.00 C ATOM 112 CD2 LEU A 8 4.172 1.872 -10.813 1.00 0.00 C ATOM 0 H LEU A 8 3.411 6.286 -10.722 1.00 0.00 H new ATOM 0 HA LEU A 8 4.110 3.773 -12.133 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.303 4.611 -9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.717 3.296 -10.866 1.00 0.00 H new ATOM 0 HG LEU A 8 4.337 3.414 -9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.413 1.359 -8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.302 2.735 -8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.964 1.488 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.833 1.183 -10.287 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.383 1.308 -11.310 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.744 2.428 -11.556 1.00 0.00 H new ATOM 124 N ARG A 9 2.394 3.813 -13.886 1.00 0.00 N ATOM 125 CA ARG A 9 1.397 3.852 -14.980 1.00 0.00 C ATOM 126 C ARG A 9 0.642 2.536 -14.881 1.00 0.00 C ATOM 127 O ARG A 9 1.151 1.490 -15.225 1.00 0.00 O ATOM 128 CB ARG A 9 2.102 3.951 -16.336 1.00 0.00 C ATOM 129 CG ARG A 9 2.724 5.339 -16.487 1.00 0.00 C ATOM 130 CD ARG A 9 3.862 5.280 -17.507 1.00 0.00 C ATOM 131 NE ARG A 9 3.453 4.431 -18.660 1.00 0.00 N ATOM 132 CZ ARG A 9 3.801 4.765 -19.873 1.00 0.00 C ATOM 133 NH1 ARG A 9 2.999 5.487 -20.607 1.00 0.00 N ATOM 134 NH2 ARG A 9 4.951 4.376 -20.351 1.00 0.00 N ATOM 0 H ARG A 9 3.137 3.125 -14.006 1.00 0.00 H new ATOM 0 HA ARG A 9 0.734 4.713 -14.895 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.873 3.185 -16.414 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.391 3.770 -17.142 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.968 6.055 -16.811 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.101 5.687 -15.525 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.109 6.284 -17.851 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.760 4.873 -17.042 1.00 0.00 H new ATOM 0 HE ARG A 9 2.901 3.588 -18.502 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.100 5.791 -20.233 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.271 5.748 -21.555 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.577 3.811 -19.777 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.224 4.636 -21.299 1.00 0.00 H new ATOM 148 N ILE A 10 -0.548 2.563 -14.366 1.00 0.00 N ATOM 149 CA ILE A 10 -1.292 1.292 -14.196 1.00 0.00 C ATOM 150 C ILE A 10 -2.351 1.172 -15.296 1.00 0.00 C ATOM 151 O ILE A 10 -3.015 2.120 -15.634 1.00 0.00 O ATOM 152 CB ILE A 10 -1.932 1.287 -12.798 1.00 0.00 C ATOM 153 CG1 ILE A 10 -0.979 1.950 -11.781 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.199 -0.151 -12.349 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.802 2.543 -10.642 1.00 0.00 C ATOM 0 H ILE A 10 -1.036 3.404 -14.057 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.623 0.436 -14.280 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.870 1.840 -12.845 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.273 1.216 -11.393 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.393 2.730 -12.267 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.652 -0.144 -11.358 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.876 -0.633 -13.054 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.259 -0.702 -12.314 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.136 3.014 -9.919 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.490 3.289 -11.040 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.369 1.751 -10.152 1.00 0.00 H new ATOM 167 N ARG A 11 -2.489 0.019 -15.886 1.00 0.00 N ATOM 168 CA ARG A 11 -3.479 -0.143 -16.980 1.00 0.00 C ATOM 169 C ARG A 11 -4.656 -0.994 -16.487 1.00 0.00 C ATOM 170 O ARG A 11 -4.503 -1.865 -15.654 1.00 0.00 O ATOM 171 CB ARG A 11 -2.769 -0.812 -18.173 1.00 0.00 C ATOM 172 CG ARG A 11 -3.668 -1.856 -18.845 1.00 0.00 C ATOM 173 CD ARG A 11 -3.472 -3.205 -18.151 1.00 0.00 C ATOM 174 NE ARG A 11 -4.741 -3.984 -18.202 1.00 0.00 N ATOM 175 CZ ARG A 11 -4.853 -5.093 -17.523 1.00 0.00 C ATOM 176 NH1 ARG A 11 -3.901 -5.984 -17.568 1.00 0.00 N ATOM 177 NH2 ARG A 11 -5.916 -5.312 -16.800 1.00 0.00 N ATOM 0 H ARG A 11 -1.956 -0.820 -15.656 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.875 0.823 -17.292 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.484 -0.053 -18.901 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.850 -1.287 -17.831 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.712 -1.549 -18.783 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.422 -1.938 -19.904 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.672 -3.763 -18.638 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.169 -3.052 -17.115 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.522 -3.651 -18.767 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.069 -5.814 -18.134 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.988 -6.851 -17.037 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.661 -4.616 -16.765 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.002 -6.179 -16.270 1.00 0.00 H new ATOM 191 N THR A 12 -5.830 -0.747 -17.003 1.00 0.00 N ATOM 192 CA THR A 12 -7.020 -1.539 -16.576 1.00 0.00 C ATOM 193 C THR A 12 -7.347 -2.578 -17.655 1.00 0.00 C ATOM 194 O THR A 12 -6.697 -2.626 -18.679 1.00 0.00 O ATOM 195 CB THR A 12 -8.222 -0.607 -16.376 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.057 -0.659 -17.524 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.741 0.831 -16.160 1.00 0.00 C ATOM 0 H THR A 12 -6.017 -0.029 -17.703 1.00 0.00 H new ATOM 0 HA THR A 12 -6.802 -2.044 -15.635 1.00 0.00 H new ATOM 0 HB THR A 12 -8.782 -0.931 -15.499 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.954 -0.340 -17.291 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.601 1.485 -16.019 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.105 0.873 -15.276 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.174 1.160 -17.031 1.00 0.00 H new ATOM 205 N PRO A 13 -8.346 -3.382 -17.389 1.00 0.00 N ATOM 206 CA PRO A 13 -8.781 -4.441 -18.317 1.00 0.00 C ATOM 207 C PRO A 13 -9.635 -3.848 -19.442 1.00 0.00 C ATOM 208 O PRO A 13 -9.922 -4.501 -20.426 1.00 0.00 O ATOM 209 CB PRO A 13 -9.614 -5.372 -17.432 1.00 0.00 C ATOM 210 CG PRO A 13 -10.080 -4.526 -16.223 1.00 0.00 C ATOM 211 CD PRO A 13 -9.134 -3.312 -16.142 1.00 0.00 C ATOM 0 HA PRO A 13 -7.951 -4.953 -18.804 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.468 -5.768 -17.981 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.023 -6.227 -17.103 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.113 -4.204 -16.351 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.040 -5.110 -15.303 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.691 -2.377 -16.075 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.493 -3.365 -15.262 1.00 0.00 H new ATOM 219 N SER A 14 -10.043 -2.616 -19.305 1.00 0.00 N ATOM 220 CA SER A 14 -10.877 -1.986 -20.367 1.00 0.00 C ATOM 221 C SER A 14 -9.998 -1.100 -21.252 1.00 0.00 C ATOM 222 O SER A 14 -10.482 -0.405 -22.123 1.00 0.00 O ATOM 223 CB SER A 14 -11.968 -1.135 -19.716 1.00 0.00 C ATOM 224 OG SER A 14 -12.558 -0.296 -20.700 1.00 0.00 O ATOM 0 H SER A 14 -9.835 -2.019 -18.504 1.00 0.00 H new ATOM 0 HA SER A 14 -11.336 -2.763 -20.978 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.726 -1.776 -19.266 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.544 -0.531 -18.913 1.00 0.00 H new ATOM 0 HG SER A 14 -12.126 -0.453 -21.565 1.00 0.00 H new ATOM 230 N GLY A 15 -8.711 -1.116 -21.037 1.00 0.00 N ATOM 231 CA GLY A 15 -7.808 -0.273 -21.868 1.00 0.00 C ATOM 232 C GLY A 15 -7.621 1.092 -21.201 1.00 0.00 C ATOM 233 O GLY A 15 -7.028 1.990 -21.762 1.00 0.00 O ATOM 0 H GLY A 15 -8.247 -1.676 -20.322 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.843 -0.765 -21.988 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.228 -0.147 -22.866 1.00 0.00 H new ATOM 237 N GLU A 16 -8.120 1.254 -20.005 1.00 0.00 N ATOM 238 CA GLU A 16 -7.967 2.562 -19.307 1.00 0.00 C ATOM 239 C GLU A 16 -6.565 2.648 -18.698 1.00 0.00 C ATOM 240 O GLU A 16 -5.809 1.696 -18.724 1.00 0.00 O ATOM 241 CB GLU A 16 -9.013 2.674 -18.196 1.00 0.00 C ATOM 242 CG GLU A 16 -9.955 3.842 -18.497 1.00 0.00 C ATOM 243 CD GLU A 16 -10.758 3.539 -19.763 1.00 0.00 C ATOM 244 OE1 GLU A 16 -11.038 2.375 -19.999 1.00 0.00 O ATOM 245 OE2 GLU A 16 -11.080 4.476 -20.475 1.00 0.00 O ATOM 0 H GLU A 16 -8.626 0.539 -19.483 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.108 3.375 -20.019 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.580 1.746 -18.121 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.523 2.827 -17.235 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.630 4.005 -17.656 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.382 4.760 -18.628 1.00 0.00 H new ATOM 252 N PHE A 17 -6.211 3.778 -18.147 1.00 0.00 N ATOM 253 CA PHE A 17 -4.857 3.912 -17.541 1.00 0.00 C ATOM 254 C PHE A 17 -4.923 4.804 -16.298 1.00 0.00 C ATOM 255 O PHE A 17 -5.511 5.867 -16.311 1.00 0.00 O ATOM 256 CB PHE A 17 -3.901 4.536 -18.561 1.00 0.00 C ATOM 257 CG PHE A 17 -3.011 3.463 -19.147 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.482 2.657 -20.190 1.00 0.00 C ATOM 259 CD2 PHE A 17 -1.715 3.278 -18.649 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.657 1.666 -20.735 1.00 0.00 C ATOM 261 CE2 PHE A 17 -0.890 2.287 -19.194 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.361 1.481 -20.237 1.00 0.00 C ATOM 0 H PHE A 17 -6.798 4.610 -18.091 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.497 2.924 -17.254 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.468 5.025 -19.353 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.294 5.304 -18.082 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.481 2.800 -20.574 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.352 3.900 -17.844 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.020 1.044 -21.540 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.109 2.144 -18.810 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.725 0.716 -20.658 1.00 0.00 H new ATOM 272 N LEU A 18 -4.301 4.382 -15.231 1.00 0.00 N ATOM 273 CA LEU A 18 -4.293 5.195 -13.988 1.00 0.00 C ATOM 274 C LEU A 18 -2.893 5.764 -13.803 1.00 0.00 C ATOM 275 O LEU A 18 -1.977 5.069 -13.402 1.00 0.00 O ATOM 276 CB LEU A 18 -4.613 4.344 -12.749 1.00 0.00 C ATOM 277 CG LEU A 18 -5.795 3.409 -12.997 1.00 0.00 C ATOM 278 CD1 LEU A 18 -7.014 4.198 -13.473 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.411 2.365 -14.039 1.00 0.00 C ATOM 0 H LEU A 18 -3.794 3.499 -15.170 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.049 5.974 -14.085 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.736 3.758 -12.474 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.837 4.998 -11.906 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.051 2.911 -12.062 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.846 3.514 -13.644 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.295 4.928 -12.713 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.773 4.716 -14.401 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.255 1.699 -14.215 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.141 2.863 -14.971 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.561 1.786 -13.678 1.00 0.00 H new ATOM 291 N GLU A 19 -2.723 7.017 -14.076 1.00 0.00 N ATOM 292 CA GLU A 19 -1.380 7.629 -13.889 1.00 0.00 C ATOM 293 C GLU A 19 -1.251 8.004 -12.418 1.00 0.00 C ATOM 294 O GLU A 19 -2.059 8.739 -11.887 1.00 0.00 O ATOM 295 CB GLU A 19 -1.248 8.880 -14.762 1.00 0.00 C ATOM 296 CG GLU A 19 0.077 8.835 -15.526 1.00 0.00 C ATOM 297 CD GLU A 19 -0.203 8.741 -17.027 1.00 0.00 C ATOM 298 OE1 GLU A 19 -0.450 7.643 -17.497 1.00 0.00 O ATOM 299 OE2 GLU A 19 -0.164 9.770 -17.682 1.00 0.00 O ATOM 0 H GLU A 19 -3.448 7.647 -14.419 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.595 6.930 -14.178 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.081 8.937 -15.462 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.291 9.775 -14.141 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.664 9.728 -15.310 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.668 7.978 -15.201 1.00 0.00 H new ATOM 306 N ARG A 20 -0.274 7.479 -11.735 1.00 0.00 N ATOM 307 CA ARG A 20 -0.162 7.794 -10.289 1.00 0.00 C ATOM 308 C ARG A 20 1.283 8.061 -9.879 1.00 0.00 C ATOM 309 O ARG A 20 2.159 7.245 -10.073 1.00 0.00 O ATOM 310 CB ARG A 20 -0.688 6.599 -9.494 1.00 0.00 C ATOM 311 CG ARG A 20 -1.184 7.048 -8.119 1.00 0.00 C ATOM 312 CD ARG A 20 -2.315 8.070 -8.270 1.00 0.00 C ATOM 313 NE ARG A 20 -2.788 8.486 -6.922 1.00 0.00 N ATOM 314 CZ ARG A 20 -2.060 9.290 -6.198 1.00 0.00 C ATOM 315 NH1 ARG A 20 -1.522 8.863 -5.088 1.00 0.00 N ATOM 316 NH2 ARG A 20 -1.869 10.521 -6.585 1.00 0.00 N ATOM 0 H ARG A 20 0.441 6.855 -12.110 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.742 8.694 -10.085 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.500 6.119 -10.041 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.101 5.856 -9.378 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.537 6.186 -7.553 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.362 7.486 -7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.964 8.938 -8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.138 7.637 -8.839 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.680 8.143 -6.565 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.671 7.900 -4.787 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.953 9.492 -4.522 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.289 10.854 -7.453 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.300 11.151 -6.020 1.00 0.00 H new ATOM 330 N ARG A 21 1.521 9.184 -9.264 1.00 0.00 N ATOM 331 CA ARG A 21 2.890 9.497 -8.781 1.00 0.00 C ATOM 332 C ARG A 21 2.867 9.347 -7.261 1.00 0.00 C ATOM 333 O ARG A 21 2.107 10.006 -6.581 1.00 0.00 O ATOM 334 CB ARG A 21 3.263 10.935 -9.155 1.00 0.00 C ATOM 335 CG ARG A 21 4.595 11.305 -8.500 1.00 0.00 C ATOM 336 CD ARG A 21 4.949 12.754 -8.842 1.00 0.00 C ATOM 337 NE ARG A 21 3.754 13.620 -8.636 1.00 0.00 N ATOM 338 CZ ARG A 21 3.185 14.202 -9.657 1.00 0.00 C ATOM 339 NH1 ARG A 21 3.205 13.629 -10.829 1.00 0.00 N ATOM 340 NH2 ARG A 21 2.598 15.357 -9.506 1.00 0.00 N ATOM 0 H ARG A 21 0.821 9.902 -9.075 1.00 0.00 H new ATOM 0 HA ARG A 21 3.625 8.830 -9.232 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.339 11.032 -10.238 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.482 11.621 -8.828 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.527 11.182 -7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.382 10.636 -8.848 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.772 13.096 -8.214 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.287 12.823 -9.876 1.00 0.00 H new ATOM 0 HE ARG A 21 3.380 13.758 -7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.665 12.726 -10.948 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.761 14.084 -11.627 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.583 15.806 -8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.154 15.811 -10.304 1.00 0.00 H new ATOM 354 N PHE A 22 3.662 8.469 -6.718 1.00 0.00 N ATOM 355 CA PHE A 22 3.629 8.280 -5.243 1.00 0.00 C ATOM 356 C PHE A 22 4.928 8.725 -4.597 1.00 0.00 C ATOM 357 O PHE A 22 6.003 8.499 -5.114 1.00 0.00 O ATOM 358 CB PHE A 22 3.483 6.803 -4.899 1.00 0.00 C ATOM 359 CG PHE A 22 2.360 6.160 -5.651 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.039 6.373 -5.255 1.00 0.00 C ATOM 361 CD2 PHE A 22 2.649 5.314 -6.726 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.003 5.745 -5.943 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.613 4.686 -7.411 1.00 0.00 C ATOM 364 CZ PHE A 22 0.291 4.902 -7.021 1.00 0.00 C ATOM 0 H PHE A 22 4.325 7.881 -7.224 1.00 0.00 H new ATOM 0 HA PHE A 22 2.788 8.870 -4.878 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.415 6.284 -5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.310 6.696 -3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.821 7.021 -4.419 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.674 5.148 -7.024 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.022 5.909 -5.644 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.832 4.033 -8.243 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.513 4.416 -7.554 1.00 0.00 H new ATOM 374 N LEU A 23 4.841 9.282 -3.425 1.00 0.00 N ATOM 375 CA LEU A 23 6.077 9.656 -2.705 1.00 0.00 C ATOM 376 C LEU A 23 6.699 8.348 -2.223 1.00 0.00 C ATOM 377 O LEU A 23 6.011 7.480 -1.734 1.00 0.00 O ATOM 378 CB LEU A 23 5.732 10.542 -1.506 1.00 0.00 C ATOM 379 CG LEU A 23 6.310 11.941 -1.722 1.00 0.00 C ATOM 380 CD1 LEU A 23 5.617 12.931 -0.784 1.00 0.00 C ATOM 381 CD2 LEU A 23 7.811 11.923 -1.423 1.00 0.00 C ATOM 0 H LEU A 23 3.969 9.492 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 23 6.762 10.212 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.651 10.599 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.135 10.108 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 23 6.147 12.245 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.029 13.928 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.548 12.944 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.780 12.627 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.225 12.920 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.972 11.619 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.306 11.218 -2.090 1.00 0.00 H new ATOM 393 N ALA A 24 7.973 8.173 -2.384 1.00 0.00 N ATOM 394 CA ALA A 24 8.598 6.888 -1.949 1.00 0.00 C ATOM 395 C ALA A 24 8.057 6.456 -0.576 1.00 0.00 C ATOM 396 O ALA A 24 8.088 5.287 -0.231 1.00 0.00 O ATOM 397 CB ALA A 24 10.114 7.063 -1.876 1.00 0.00 C ATOM 0 H ALA A 24 8.611 8.855 -2.794 1.00 0.00 H new ATOM 0 HA ALA A 24 8.350 6.113 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.573 6.127 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.496 7.340 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.356 7.847 -1.159 1.00 0.00 H new ATOM 403 N SER A 25 7.563 7.376 0.212 1.00 0.00 N ATOM 404 CA SER A 25 7.029 6.998 1.555 1.00 0.00 C ATOM 405 C SER A 25 5.523 6.714 1.463 1.00 0.00 C ATOM 406 O SER A 25 4.882 6.397 2.445 1.00 0.00 O ATOM 407 CB SER A 25 7.267 8.145 2.540 1.00 0.00 C ATOM 408 OG SER A 25 6.612 9.314 2.066 1.00 0.00 O ATOM 0 H SER A 25 7.506 8.369 -0.015 1.00 0.00 H new ATOM 0 HA SER A 25 7.542 6.101 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.889 7.877 3.527 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.336 8.331 2.648 1.00 0.00 H new ATOM 0 HG SER A 25 6.761 10.050 2.695 1.00 0.00 H new ATOM 414 N ASN A 26 4.956 6.828 0.293 1.00 0.00 N ATOM 415 CA ASN A 26 3.494 6.568 0.136 1.00 0.00 C ATOM 416 C ASN A 26 3.169 5.143 0.596 1.00 0.00 C ATOM 417 O ASN A 26 4.018 4.440 1.112 1.00 0.00 O ATOM 418 CB ASN A 26 3.103 6.732 -1.334 1.00 0.00 C ATOM 419 CG ASN A 26 2.121 7.897 -1.474 1.00 0.00 C ATOM 420 OD1 ASN A 26 2.234 8.695 -2.385 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.157 8.031 -0.606 1.00 0.00 N ATOM 0 H ASN A 26 5.443 7.091 -0.564 1.00 0.00 H new ATOM 0 HA ASN A 26 2.934 7.278 0.744 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.991 6.916 -1.939 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.649 5.813 -1.705 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.498 8.805 -0.691 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.062 7.362 0.158 1.00 0.00 H new ATOM 428 N LYS A 27 1.946 4.712 0.422 1.00 0.00 N ATOM 429 CA LYS A 27 1.576 3.336 0.865 1.00 0.00 C ATOM 430 C LYS A 27 0.840 2.591 -0.256 1.00 0.00 C ATOM 431 O LYS A 27 0.031 3.149 -0.987 1.00 0.00 O ATOM 432 CB LYS A 27 0.669 3.421 2.097 1.00 0.00 C ATOM 433 CG LYS A 27 0.988 4.689 2.892 1.00 0.00 C ATOM 434 CD LYS A 27 0.081 5.830 2.422 1.00 0.00 C ATOM 435 CE LYS A 27 -0.593 6.476 3.633 1.00 0.00 C ATOM 436 NZ LYS A 27 -1.375 7.664 3.189 1.00 0.00 N ATOM 0 H LYS A 27 1.192 5.250 -0.005 1.00 0.00 H new ATOM 0 HA LYS A 27 2.487 2.792 1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.377 3.427 1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.811 2.542 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.842 4.509 3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.034 4.963 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.665 6.573 1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.673 5.450 1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.249 5.758 4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.158 6.774 4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.834 8.105 4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.737 8.351 2.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.100 7.367 2.506 1.00 0.00 H new ATOM 450 N LEU A 28 1.107 1.320 -0.391 1.00 0.00 N ATOM 451 CA LEU A 28 0.425 0.529 -1.449 1.00 0.00 C ATOM 452 C LEU A 28 -1.089 0.641 -1.258 1.00 0.00 C ATOM 453 O LEU A 28 -1.827 0.846 -2.202 1.00 0.00 O ATOM 454 CB LEU A 28 0.835 -0.936 -1.341 1.00 0.00 C ATOM 455 CG LEU A 28 1.240 -1.483 -2.710 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.282 -0.601 -3.387 1.00 0.00 C ATOM 457 CD2 LEU A 28 1.805 -2.886 -2.524 1.00 0.00 C ATOM 0 H LEU A 28 1.767 0.798 0.186 1.00 0.00 H new ATOM 0 HA LEU A 28 0.708 0.913 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.666 -1.036 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.008 -1.522 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 28 0.358 -1.501 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.543 -1.025 -4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.876 0.401 -3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.174 -0.547 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.099 -3.291 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.675 -2.844 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.045 -3.528 -2.078 1.00 0.00 H new ATOM 469 N GLN A 29 -1.565 0.511 -0.043 1.00 0.00 N ATOM 470 CA GLN A 29 -3.032 0.618 0.183 1.00 0.00 C ATOM 471 C GLN A 29 -3.525 1.907 -0.470 1.00 0.00 C ATOM 472 O GLN A 29 -4.600 1.951 -1.035 1.00 0.00 O ATOM 473 CB GLN A 29 -3.332 0.642 1.693 1.00 0.00 C ATOM 474 CG GLN A 29 -4.681 1.325 1.956 1.00 0.00 C ATOM 475 CD GLN A 29 -5.312 0.739 3.220 1.00 0.00 C ATOM 476 OE1 GLN A 29 -4.629 0.169 4.047 1.00 0.00 O ATOM 477 NE2 GLN A 29 -6.598 0.857 3.406 1.00 0.00 N ATOM 0 H GLN A 29 -1.004 0.337 0.791 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.542 -0.241 -0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.349 -0.375 2.084 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.539 1.172 2.220 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.540 2.400 2.072 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.346 1.181 1.104 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.172 1.336 2.712 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.029 0.471 4.246 1.00 0.00 H new ATOM 486 N ILE A 30 -2.749 2.956 -0.415 1.00 0.00 N ATOM 487 CA ILE A 30 -3.202 4.213 -1.057 1.00 0.00 C ATOM 488 C ILE A 30 -3.233 3.993 -2.560 1.00 0.00 C ATOM 489 O ILE A 30 -4.169 4.363 -3.232 1.00 0.00 O ATOM 490 CB ILE A 30 -2.254 5.368 -0.704 1.00 0.00 C ATOM 491 CG1 ILE A 30 -3.112 6.609 -0.441 1.00 0.00 C ATOM 492 CG2 ILE A 30 -1.261 5.641 -1.853 1.00 0.00 C ATOM 493 CD1 ILE A 30 -2.293 7.887 -0.650 1.00 0.00 C ATOM 0 H ILE A 30 -1.837 2.994 0.040 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.196 4.478 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.667 5.110 0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.974 6.610 -1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.498 6.581 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.602 6.464 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.667 4.747 -2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.812 5.906 -2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.921 8.757 -0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.446 7.893 0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.929 7.922 -1.677 1.00 0.00 H new ATOM 505 N VAL A 31 -2.221 3.371 -3.089 1.00 0.00 N ATOM 506 CA VAL A 31 -2.229 3.114 -4.555 1.00 0.00 C ATOM 507 C VAL A 31 -3.514 2.375 -4.881 1.00 0.00 C ATOM 508 O VAL A 31 -4.280 2.755 -5.745 1.00 0.00 O ATOM 509 CB VAL A 31 -1.044 2.240 -4.960 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.825 2.372 -6.466 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.204 2.697 -4.212 1.00 0.00 C ATOM 0 H VAL A 31 -1.402 3.034 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.159 4.059 -5.093 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.246 1.198 -4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.019 1.752 -6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.721 2.046 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.617 3.413 -6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.050 2.073 -4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.417 3.736 -4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.038 2.608 -3.138 1.00 0.00 H new ATOM 521 N PHE A 32 -3.742 1.312 -4.175 1.00 0.00 N ATOM 522 CA PHE A 32 -4.970 0.500 -4.399 1.00 0.00 C ATOM 523 C PHE A 32 -6.219 1.380 -4.254 1.00 0.00 C ATOM 524 O PHE A 32 -7.157 1.279 -5.026 1.00 0.00 O ATOM 525 CB PHE A 32 -5.023 -0.612 -3.351 1.00 0.00 C ATOM 526 CG PHE A 32 -3.731 -1.405 -3.358 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.759 -1.183 -4.347 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.502 -2.370 -2.366 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.574 -1.925 -4.341 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.315 -3.109 -2.364 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.356 -2.889 -3.349 1.00 0.00 C ATOM 0 H PHE A 32 -3.125 0.963 -3.442 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.944 0.077 -5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.188 -0.182 -2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.865 -1.274 -3.556 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.927 -0.439 -5.112 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.245 -2.543 -1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.827 -1.755 -5.102 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.142 -3.851 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.441 -3.463 -3.348 1.00 0.00 H new ATOM 541 N ASP A 33 -6.249 2.232 -3.263 1.00 0.00 N ATOM 542 CA ASP A 33 -7.449 3.097 -3.067 1.00 0.00 C ATOM 543 C ASP A 33 -7.554 4.109 -4.210 1.00 0.00 C ATOM 544 O ASP A 33 -8.627 4.383 -4.715 1.00 0.00 O ATOM 545 CB ASP A 33 -7.324 3.842 -1.738 1.00 0.00 C ATOM 546 CG ASP A 33 -8.490 3.458 -0.826 1.00 0.00 C ATOM 547 OD1 ASP A 33 -9.582 3.953 -1.052 1.00 0.00 O ATOM 548 OD2 ASP A 33 -8.271 2.674 0.084 1.00 0.00 O ATOM 0 H ASP A 33 -5.499 2.366 -2.585 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.344 2.474 -3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.377 3.595 -1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.323 4.918 -1.911 1.00 0.00 H new ATOM 553 N PHE A 34 -6.453 4.671 -4.614 1.00 0.00 N ATOM 554 CA PHE A 34 -6.485 5.672 -5.712 1.00 0.00 C ATOM 555 C PHE A 34 -7.047 5.025 -6.980 1.00 0.00 C ATOM 556 O PHE A 34 -7.937 5.556 -7.615 1.00 0.00 O ATOM 557 CB PHE A 34 -5.052 6.196 -5.939 1.00 0.00 C ATOM 558 CG PHE A 34 -4.562 5.879 -7.336 1.00 0.00 C ATOM 559 CD1 PHE A 34 -5.161 6.481 -8.449 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.511 4.977 -7.510 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.704 6.176 -9.738 1.00 0.00 C ATOM 562 CE2 PHE A 34 -3.052 4.674 -8.793 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.648 5.273 -9.909 1.00 0.00 C ATOM 0 H PHE A 34 -5.528 4.479 -4.229 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.131 6.510 -5.450 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.028 7.274 -5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.380 5.750 -5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.974 7.179 -8.314 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.052 4.512 -6.650 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.166 6.637 -10.599 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.237 3.978 -8.925 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.293 5.039 -10.902 1.00 0.00 H new ATOM 573 N VAL A 35 -6.535 3.886 -7.361 1.00 0.00 N ATOM 574 CA VAL A 35 -7.062 3.238 -8.599 1.00 0.00 C ATOM 575 C VAL A 35 -8.535 2.919 -8.400 1.00 0.00 C ATOM 576 O VAL A 35 -9.363 3.233 -9.231 1.00 0.00 O ATOM 577 CB VAL A 35 -6.334 1.925 -8.926 1.00 0.00 C ATOM 578 CG1 VAL A 35 -5.300 2.172 -10.025 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.624 1.372 -7.690 1.00 0.00 C ATOM 0 H VAL A 35 -5.789 3.383 -6.880 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.905 3.934 -9.423 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.074 1.199 -9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.785 1.240 -10.256 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.801 2.541 -10.920 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.576 2.912 -9.684 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.116 0.442 -7.947 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.893 2.098 -7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.356 1.180 -6.905 1.00 0.00 H new ATOM 589 N ALA A 36 -8.879 2.285 -7.316 1.00 0.00 N ATOM 590 CA ALA A 36 -10.310 1.949 -7.108 1.00 0.00 C ATOM 591 C ALA A 36 -11.153 3.203 -7.318 1.00 0.00 C ATOM 592 O ALA A 36 -12.198 3.163 -7.935 1.00 0.00 O ATOM 593 CB ALA A 36 -10.520 1.407 -5.693 1.00 0.00 C ATOM 0 H ALA A 36 -8.242 1.989 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.612 1.183 -7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.573 1.163 -5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.917 0.509 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.220 2.162 -4.966 1.00 0.00 H new ATOM 599 N SER A 37 -10.704 4.320 -6.825 1.00 0.00 N ATOM 600 CA SER A 37 -11.480 5.574 -7.012 1.00 0.00 C ATOM 601 C SER A 37 -11.431 5.991 -8.487 1.00 0.00 C ATOM 602 O SER A 37 -12.158 6.865 -8.916 1.00 0.00 O ATOM 603 CB SER A 37 -10.873 6.681 -6.148 1.00 0.00 C ATOM 604 OG SER A 37 -11.483 6.659 -4.864 1.00 0.00 O ATOM 0 H SER A 37 -9.834 4.419 -6.301 1.00 0.00 H new ATOM 0 HA SER A 37 -12.516 5.408 -6.716 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.797 6.537 -6.055 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.025 7.652 -6.620 1.00 0.00 H new ATOM 0 HG SER A 37 -11.096 7.366 -4.306 1.00 0.00 H new ATOM 610 N LYS A 38 -10.567 5.388 -9.262 1.00 0.00 N ATOM 611 CA LYS A 38 -10.461 5.768 -10.695 1.00 0.00 C ATOM 612 C LYS A 38 -11.636 5.205 -11.506 1.00 0.00 C ATOM 613 O LYS A 38 -12.563 5.920 -11.832 1.00 0.00 O ATOM 614 CB LYS A 38 -9.148 5.229 -11.258 1.00 0.00 C ATOM 615 CG LYS A 38 -8.293 6.390 -11.776 1.00 0.00 C ATOM 616 CD LYS A 38 -8.240 7.493 -10.719 1.00 0.00 C ATOM 617 CE LYS A 38 -8.886 8.766 -11.272 1.00 0.00 C ATOM 618 NZ LYS A 38 -7.899 9.882 -11.232 1.00 0.00 N ATOM 0 H LYS A 38 -9.932 4.649 -8.961 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.487 6.855 -10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.607 4.683 -10.485 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.349 4.524 -12.065 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.286 6.041 -12.004 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.713 6.780 -12.703 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.760 7.171 -9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.206 7.691 -10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.223 8.601 -12.295 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.767 9.024 -10.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.338 10.747 -11.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.598 10.045 -10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.071 9.634 -11.811 1.00 0.00 H new ATOM 632 N GLY A 39 -11.600 3.947 -11.870 1.00 0.00 N ATOM 633 CA GLY A 39 -12.722 3.402 -12.695 1.00 0.00 C ATOM 634 C GLY A 39 -12.908 1.897 -12.493 1.00 0.00 C ATOM 635 O GLY A 39 -13.382 1.210 -13.375 1.00 0.00 O ATOM 0 H GLY A 39 -10.859 3.286 -11.638 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.646 3.919 -12.436 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.528 3.605 -13.748 1.00 0.00 H new ATOM 745 N LYS A 46 -6.533 -5.908 -6.968 1.00 0.00 N ATOM 746 CA LYS A 46 -5.098 -6.306 -6.967 1.00 0.00 C ATOM 747 C LYS A 46 -4.443 -5.864 -8.271 1.00 0.00 C ATOM 748 O LYS A 46 -4.879 -6.209 -9.349 1.00 0.00 O ATOM 749 CB LYS A 46 -4.989 -7.825 -6.830 1.00 0.00 C ATOM 750 CG LYS A 46 -4.115 -8.166 -5.621 1.00 0.00 C ATOM 751 CD LYS A 46 -4.782 -7.645 -4.347 1.00 0.00 C ATOM 752 CE LYS A 46 -6.210 -8.185 -4.260 1.00 0.00 C ATOM 753 NZ LYS A 46 -6.681 -8.118 -2.848 1.00 0.00 N ATOM 0 HA LYS A 46 -4.591 -5.828 -6.128 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.980 -8.262 -6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.559 -8.253 -7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.972 -9.245 -5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.127 -7.720 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.211 -7.955 -3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.794 -6.555 -4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.870 -7.603 -4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.243 -9.214 -4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.652 -8.485 -2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.056 -8.692 -2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.664 -7.130 -2.523 1.00 0.00 H new ATOM 767 N LEU A 47 -3.391 -5.107 -8.173 1.00 0.00 N ATOM 768 CA LEU A 47 -2.685 -4.633 -9.390 1.00 0.00 C ATOM 769 C LEU A 47 -1.502 -5.561 -9.672 1.00 0.00 C ATOM 770 O LEU A 47 -0.950 -6.153 -8.776 1.00 0.00 O ATOM 771 CB LEU A 47 -2.189 -3.213 -9.149 1.00 0.00 C ATOM 772 CG LEU A 47 -3.386 -2.311 -8.853 1.00 0.00 C ATOM 773 CD1 LEU A 47 -3.009 -1.307 -7.766 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.783 -1.574 -10.130 1.00 0.00 C ATOM 0 H LEU A 47 -2.986 -4.793 -7.291 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.358 -4.640 -10.247 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.489 -3.196 -8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.651 -2.849 -10.024 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.227 -2.911 -8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.862 -0.663 -7.554 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.724 -1.842 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.171 -0.699 -8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.637 -0.928 -9.927 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.945 -0.969 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.051 -2.298 -10.900 1.00 0.00 H new ATOM 786 N LEU A 48 -1.115 -5.705 -10.905 1.00 0.00 N ATOM 787 CA LEU A 48 0.029 -6.600 -11.227 1.00 0.00 C ATOM 788 C LEU A 48 1.207 -5.748 -11.702 1.00 0.00 C ATOM 789 O LEU A 48 1.094 -4.999 -12.651 1.00 0.00 O ATOM 790 CB LEU A 48 -0.393 -7.583 -12.328 1.00 0.00 C ATOM 791 CG LEU A 48 0.834 -8.235 -12.979 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.427 -7.289 -14.025 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.889 -8.548 -11.914 1.00 0.00 C ATOM 0 H LEU A 48 -1.542 -5.241 -11.707 1.00 0.00 H new ATOM 0 HA LEU A 48 0.327 -7.164 -10.343 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.038 -8.353 -11.906 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.976 -7.059 -13.085 1.00 0.00 H new ATOM 0 HG LEU A 48 0.528 -9.163 -13.461 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.298 -7.755 -14.485 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.680 -7.080 -14.791 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.726 -6.357 -13.545 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.756 -9.011 -12.386 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.193 -7.625 -11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.469 -9.232 -11.176 1.00 0.00 H new ATOM 805 N SER A 49 2.338 -5.844 -11.052 1.00 0.00 N ATOM 806 CA SER A 49 3.502 -5.023 -11.487 1.00 0.00 C ATOM 807 C SER A 49 4.082 -5.640 -12.760 1.00 0.00 C ATOM 808 O SER A 49 4.447 -6.803 -12.788 1.00 0.00 O ATOM 809 CB SER A 49 4.568 -5.001 -10.392 1.00 0.00 C ATOM 810 OG SER A 49 4.431 -6.155 -9.574 1.00 0.00 O ATOM 0 H SER A 49 2.503 -6.449 -10.248 1.00 0.00 H new ATOM 0 HA SER A 49 3.181 -3.999 -11.679 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.562 -4.974 -10.838 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.465 -4.100 -9.788 1.00 0.00 H new ATOM 0 HG SER A 49 4.241 -6.934 -10.137 1.00 0.00 H new ATOM 816 N THR A 50 4.142 -4.875 -13.817 1.00 0.00 N ATOM 817 CA THR A 50 4.658 -5.406 -15.113 1.00 0.00 C ATOM 818 C THR A 50 6.184 -5.536 -15.091 1.00 0.00 C ATOM 819 O THR A 50 6.720 -6.585 -15.391 1.00 0.00 O ATOM 820 CB THR A 50 4.252 -4.455 -16.244 1.00 0.00 C ATOM 821 OG1 THR A 50 5.049 -3.281 -16.180 1.00 0.00 O ATOM 822 CG2 THR A 50 2.776 -4.081 -16.100 1.00 0.00 C ATOM 0 H THR A 50 3.853 -3.897 -13.839 1.00 0.00 H new ATOM 0 HA THR A 50 4.230 -6.395 -15.274 1.00 0.00 H new ATOM 0 HB THR A 50 4.404 -4.948 -17.204 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.763 -2.733 -15.420 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.492 -3.405 -16.906 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.166 -4.983 -16.150 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.617 -3.589 -15.141 1.00 0.00 H new ATOM 830 N PHE A 51 6.890 -4.484 -14.773 1.00 0.00 N ATOM 831 CA PHE A 51 8.381 -4.565 -14.772 1.00 0.00 C ATOM 832 C PHE A 51 8.832 -5.896 -14.156 1.00 0.00 C ATOM 833 O PHE A 51 9.406 -6.717 -14.845 1.00 0.00 O ATOM 834 CB PHE A 51 8.975 -3.388 -14.000 1.00 0.00 C ATOM 835 CG PHE A 51 9.493 -2.360 -14.977 1.00 0.00 C ATOM 836 CD1 PHE A 51 8.600 -1.498 -15.624 1.00 0.00 C ATOM 837 CD2 PHE A 51 10.866 -2.271 -15.239 1.00 0.00 C ATOM 838 CE1 PHE A 51 9.079 -0.546 -16.532 1.00 0.00 C ATOM 839 CE2 PHE A 51 11.344 -1.319 -16.146 1.00 0.00 C ATOM 840 CZ PHE A 51 10.452 -0.457 -16.794 1.00 0.00 C ATOM 0 H PHE A 51 6.502 -3.577 -14.515 1.00 0.00 H new ATOM 0 HA PHE A 51 8.739 -4.516 -15.800 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.218 -2.943 -13.354 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.783 -3.732 -13.354 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.541 -1.567 -15.423 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.555 -2.937 -14.741 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.390 0.120 -17.030 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.403 -1.249 -16.346 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.822 0.276 -17.495 1.00 0.00 H new ATOM 850 N PRO A 52 8.556 -6.096 -12.888 1.00 0.00 N ATOM 851 CA PRO A 52 8.925 -7.345 -12.203 1.00 0.00 C ATOM 852 C PRO A 52 7.907 -8.437 -12.542 1.00 0.00 C ATOM 853 O PRO A 52 8.094 -9.596 -12.228 1.00 0.00 O ATOM 854 CB PRO A 52 8.843 -6.985 -10.720 1.00 0.00 C ATOM 855 CG PRO A 52 7.890 -5.772 -10.623 1.00 0.00 C ATOM 856 CD PRO A 52 7.863 -5.118 -12.019 1.00 0.00 C ATOM 0 HA PRO A 52 9.907 -7.721 -12.490 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.466 -7.824 -10.136 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.828 -6.739 -10.324 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.891 -6.088 -10.324 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.239 -5.065 -9.871 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.842 -4.939 -12.356 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.372 -4.154 -12.018 1.00 0.00 H new ATOM 864 N ARG A 53 6.822 -8.069 -13.174 1.00 0.00 N ATOM 865 CA ARG A 53 5.784 -9.078 -13.522 1.00 0.00 C ATOM 866 C ARG A 53 5.389 -9.835 -12.255 1.00 0.00 C ATOM 867 O ARG A 53 5.400 -11.049 -12.215 1.00 0.00 O ATOM 868 CB ARG A 53 6.344 -10.060 -14.553 1.00 0.00 C ATOM 869 CG ARG A 53 5.199 -10.877 -15.151 1.00 0.00 C ATOM 870 CD ARG A 53 5.751 -11.836 -16.206 1.00 0.00 C ATOM 871 NE ARG A 53 4.621 -12.527 -16.890 1.00 0.00 N ATOM 872 CZ ARG A 53 3.566 -11.849 -17.253 1.00 0.00 C ATOM 873 NH1 ARG A 53 3.704 -10.747 -17.939 1.00 0.00 N ATOM 874 NH2 ARG A 53 2.375 -12.272 -16.930 1.00 0.00 N ATOM 0 H ARG A 53 6.613 -7.113 -13.463 1.00 0.00 H new ATOM 0 HA ARG A 53 4.911 -8.580 -13.944 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.868 -9.518 -15.340 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.071 -10.722 -14.083 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.690 -11.437 -14.367 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.460 -10.213 -15.599 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.350 -11.288 -16.933 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.409 -12.568 -15.738 1.00 0.00 H new ATOM 0 HE ARG A 53 4.672 -13.529 -17.074 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.635 -10.416 -18.191 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.880 -10.217 -18.223 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.268 -13.133 -16.394 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.551 -11.742 -17.214 1.00 0.00 H new ATOM 888 N ARG A 54 5.054 -9.124 -11.212 1.00 0.00 N ATOM 889 CA ARG A 54 4.676 -9.807 -9.940 1.00 0.00 C ATOM 890 C ARG A 54 3.429 -9.156 -9.336 1.00 0.00 C ATOM 891 O ARG A 54 3.058 -8.054 -9.684 1.00 0.00 O ATOM 892 CB ARG A 54 5.837 -9.701 -8.949 1.00 0.00 C ATOM 893 CG ARG A 54 5.922 -8.273 -8.406 1.00 0.00 C ATOM 894 CD ARG A 54 6.952 -8.219 -7.276 1.00 0.00 C ATOM 895 NE ARG A 54 8.108 -9.093 -7.618 1.00 0.00 N ATOM 896 CZ ARG A 54 8.505 -10.009 -6.778 1.00 0.00 C ATOM 897 NH1 ARG A 54 7.638 -10.828 -6.248 1.00 0.00 N ATOM 898 NH2 ARG A 54 9.769 -10.107 -6.470 1.00 0.00 N ATOM 0 H ARG A 54 5.026 -8.105 -11.185 1.00 0.00 H new ATOM 0 HA ARG A 54 4.459 -10.854 -10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.693 -10.404 -8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.772 -9.970 -9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.204 -7.585 -9.203 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.947 -7.953 -8.039 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.289 -7.194 -7.125 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.499 -8.546 -6.340 1.00 0.00 H new ATOM 0 HE ARG A 54 8.590 -8.976 -8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.650 -10.752 -6.491 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.948 -11.544 -5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.446 -9.468 -6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.080 -10.823 -5.813 1.00 0.00 H new ATOM 912 N ASP A 55 2.785 -9.834 -8.422 1.00 0.00 N ATOM 913 CA ASP A 55 1.567 -9.261 -7.782 1.00 0.00 C ATOM 914 C ASP A 55 1.898 -7.881 -7.208 1.00 0.00 C ATOM 915 O ASP A 55 2.635 -7.763 -6.252 1.00 0.00 O ATOM 916 CB ASP A 55 1.100 -10.188 -6.660 1.00 0.00 C ATOM 917 CG ASP A 55 -0.359 -10.582 -6.896 1.00 0.00 C ATOM 918 OD1 ASP A 55 -1.032 -9.876 -7.630 1.00 0.00 O ATOM 919 OD2 ASP A 55 -0.781 -11.582 -6.338 1.00 0.00 O ATOM 0 H ASP A 55 3.052 -10.761 -8.092 1.00 0.00 H new ATOM 0 HA ASP A 55 0.773 -9.163 -8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.727 -11.079 -6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.202 -9.689 -5.696 1.00 0.00 H new ATOM 924 N VAL A 56 1.351 -6.850 -7.807 1.00 0.00 N ATOM 925 CA VAL A 56 1.595 -5.437 -7.366 1.00 0.00 C ATOM 926 C VAL A 56 2.889 -5.313 -6.571 1.00 0.00 C ATOM 927 O VAL A 56 2.961 -5.646 -5.415 1.00 0.00 O ATOM 928 CB VAL A 56 0.411 -4.912 -6.549 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.461 -5.451 -5.124 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.468 -3.382 -6.525 1.00 0.00 C ATOM 0 H VAL A 56 0.726 -6.932 -8.609 1.00 0.00 H new ATOM 0 HA VAL A 56 1.697 -4.827 -8.263 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.519 -5.246 -7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.389 -5.067 -4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.420 -6.540 -5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.388 -5.132 -4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.371 -2.996 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.404 -3.060 -6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.412 -3.000 -7.544 1.00 0.00 H new ATOM 940 N THR A 57 3.896 -4.809 -7.222 1.00 0.00 N ATOM 941 CA THR A 57 5.241 -4.600 -6.602 1.00 0.00 C ATOM 942 C THR A 57 5.335 -5.112 -5.153 1.00 0.00 C ATOM 943 O THR A 57 5.248 -4.353 -4.210 1.00 0.00 O ATOM 944 CB THR A 57 5.575 -3.107 -6.635 1.00 0.00 C ATOM 945 OG1 THR A 57 6.375 -2.782 -5.512 1.00 0.00 O ATOM 946 CG2 THR A 57 4.279 -2.279 -6.611 1.00 0.00 C ATOM 0 H THR A 57 3.843 -4.520 -8.199 1.00 0.00 H new ATOM 0 HA THR A 57 5.956 -5.181 -7.185 1.00 0.00 H new ATOM 0 HB THR A 57 6.122 -2.878 -7.550 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.256 -2.479 -5.815 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.525 -1.217 -6.635 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.671 -2.530 -7.480 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.722 -2.502 -5.701 1.00 0.00 H new ATOM 954 N GLN A 58 5.560 -6.390 -4.981 1.00 0.00 N ATOM 955 CA GLN A 58 5.735 -6.971 -3.603 1.00 0.00 C ATOM 956 C GLN A 58 4.403 -7.200 -2.870 1.00 0.00 C ATOM 957 O GLN A 58 4.356 -7.920 -1.893 1.00 0.00 O ATOM 958 CB GLN A 58 6.617 -6.039 -2.768 1.00 0.00 C ATOM 959 CG GLN A 58 7.862 -6.798 -2.301 1.00 0.00 C ATOM 960 CD GLN A 58 7.442 -8.104 -1.626 1.00 0.00 C ATOM 961 OE1 GLN A 58 7.124 -8.120 -0.452 1.00 0.00 O ATOM 962 NE2 GLN A 58 7.425 -9.208 -2.320 1.00 0.00 N ATOM 0 H GLN A 58 5.632 -7.067 -5.741 1.00 0.00 H new ATOM 0 HA GLN A 58 6.204 -7.947 -3.726 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.908 -5.170 -3.358 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.060 -5.668 -1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.512 -7.008 -3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.435 -6.185 -1.605 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.691 -9.196 -3.305 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.145 -10.084 -1.878 1.00 0.00 H new ATOM 971 N LEU A 59 3.330 -6.612 -3.309 1.00 0.00 N ATOM 972 CA LEU A 59 2.028 -6.828 -2.612 1.00 0.00 C ATOM 973 C LEU A 59 2.052 -6.184 -1.225 1.00 0.00 C ATOM 974 O LEU A 59 2.932 -5.411 -0.901 1.00 0.00 O ATOM 975 CB LEU A 59 1.765 -8.326 -2.469 1.00 0.00 C ATOM 976 CG LEU A 59 0.695 -8.745 -3.473 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.623 -10.272 -3.536 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.661 -8.188 -3.035 1.00 0.00 C ATOM 0 H LEU A 59 3.294 -5.992 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 59 1.235 -6.369 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.683 -8.887 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.439 -8.555 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 59 0.948 -8.353 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.141 -10.571 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.589 -10.669 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.370 -10.665 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.426 -8.487 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.914 -8.580 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.610 -7.100 -2.991 1.00 0.00 H new ATOM 990 N ASP A 60 1.082 -6.498 -0.407 1.00 0.00 N ATOM 991 CA ASP A 60 1.029 -5.906 0.958 1.00 0.00 C ATOM 992 C ASP A 60 0.505 -4.469 0.866 1.00 0.00 C ATOM 993 O ASP A 60 1.274 -3.537 0.712 1.00 0.00 O ATOM 994 CB ASP A 60 2.431 -5.909 1.569 1.00 0.00 C ATOM 995 CG ASP A 60 2.372 -6.479 2.988 1.00 0.00 C ATOM 996 OD1 ASP A 60 1.615 -5.950 3.787 1.00 0.00 O ATOM 997 OD2 ASP A 60 3.083 -7.435 3.250 1.00 0.00 O ATOM 0 H ASP A 60 0.322 -7.142 -0.628 1.00 0.00 H new ATOM 0 HA ASP A 60 0.362 -6.494 1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.105 -6.506 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.832 -4.896 1.590 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.793 -4.332 0.966 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.460 -3.019 0.888 1.00 0.00 C ATOM 1004 C PRO A 61 -1.157 -2.199 2.136 1.00 0.00 C ATOM 1005 O PRO A 61 -1.434 -1.017 2.204 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.948 -3.372 0.790 1.00 0.00 C ATOM 1007 CG PRO A 61 -3.092 -4.804 1.352 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.712 -5.468 1.197 1.00 0.00 C ATOM 0 HA PRO A 61 -1.127 -2.412 0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.553 -2.668 1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.292 -3.323 -0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.398 -4.783 2.398 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.855 -5.361 0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.436 -6.029 2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.698 -6.169 0.363 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.569 -2.818 3.111 1.00 0.00 N ATOM 1017 CA ASN A 62 -0.224 -2.090 4.361 1.00 0.00 C ATOM 1018 C ASN A 62 1.256 -1.721 4.332 1.00 0.00 C ATOM 1019 O ASN A 62 1.774 -1.119 5.250 1.00 0.00 O ATOM 1020 CB ASN A 62 -0.505 -2.986 5.568 1.00 0.00 C ATOM 1021 CG ASN A 62 -1.427 -2.254 6.545 1.00 0.00 C ATOM 1022 OD1 ASN A 62 -1.441 -1.040 6.592 1.00 0.00 O ATOM 1023 ND2 ASN A 62 -2.203 -2.946 7.334 1.00 0.00 N ATOM 0 H ASN A 62 -0.309 -3.804 3.099 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.826 -1.185 4.437 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.969 -3.917 5.243 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.429 -3.251 6.063 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.821 -2.468 7.990 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.192 -3.965 7.295 1.00 0.00 H new ATOM 1030 N LYS A 63 1.945 -2.079 3.282 1.00 0.00 N ATOM 1031 CA LYS A 63 3.391 -1.749 3.198 1.00 0.00 C ATOM 1032 C LYS A 63 3.564 -0.370 2.566 1.00 0.00 C ATOM 1033 O LYS A 63 2.696 0.126 1.870 1.00 0.00 O ATOM 1034 CB LYS A 63 4.112 -2.793 2.345 1.00 0.00 C ATOM 1035 CG LYS A 63 4.589 -3.940 3.238 1.00 0.00 C ATOM 1036 CD LYS A 63 6.083 -4.183 3.005 1.00 0.00 C ATOM 1037 CE LYS A 63 6.443 -5.603 3.446 1.00 0.00 C ATOM 1038 NZ LYS A 63 6.598 -6.473 2.246 1.00 0.00 N ATOM 0 H LYS A 63 1.567 -2.585 2.481 1.00 0.00 H new ATOM 0 HA LYS A 63 3.817 -1.747 4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.443 -3.173 1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.961 -2.338 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.408 -3.699 4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.024 -4.846 3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.325 -4.046 1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.672 -3.456 3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.368 -5.592 4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.665 -6.001 4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.843 -7.438 2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.705 -6.492 1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.355 -6.097 1.640 1.00 0.00 H new ATOM 1052 N SER A 64 4.688 0.243 2.792 1.00 0.00 N ATOM 1053 CA SER A 64 4.940 1.581 2.201 1.00 0.00 C ATOM 1054 C SER A 64 5.595 1.361 0.844 1.00 0.00 C ATOM 1055 O SER A 64 5.899 0.245 0.477 1.00 0.00 O ATOM 1056 CB SER A 64 5.876 2.383 3.107 1.00 0.00 C ATOM 1057 OG SER A 64 7.220 2.001 2.850 1.00 0.00 O ATOM 0 H SER A 64 5.447 -0.128 3.364 1.00 0.00 H new ATOM 0 HA SER A 64 4.009 2.138 2.095 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.749 3.450 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.629 2.205 4.154 1.00 0.00 H new ATOM 0 HG SER A 64 7.822 2.514 3.428 1.00 0.00 H new ATOM 1063 N LEU A 65 5.783 2.389 0.074 1.00 0.00 N ATOM 1064 CA LEU A 65 6.375 2.179 -1.271 1.00 0.00 C ATOM 1065 C LEU A 65 7.854 1.832 -1.162 1.00 0.00 C ATOM 1066 O LEU A 65 8.319 0.927 -1.812 1.00 0.00 O ATOM 1067 CB LEU A 65 6.196 3.438 -2.104 1.00 0.00 C ATOM 1068 CG LEU A 65 4.752 3.492 -2.589 1.00 0.00 C ATOM 1069 CD1 LEU A 65 4.517 4.796 -3.328 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.483 2.332 -3.544 1.00 0.00 C ATOM 0 H LEU A 65 5.556 3.355 0.312 1.00 0.00 H new ATOM 0 HA LEU A 65 5.864 1.346 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.430 4.322 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.881 3.433 -2.952 1.00 0.00 H new ATOM 0 HG LEU A 65 4.085 3.423 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.485 4.836 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.707 5.634 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.190 4.856 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.449 2.376 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.153 2.403 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.654 1.388 -3.027 1.00 0.00 H new ATOM 1082 N LEU A 66 8.606 2.517 -0.352 1.00 0.00 N ATOM 1083 CA LEU A 66 10.051 2.167 -0.249 1.00 0.00 C ATOM 1084 C LEU A 66 10.190 0.655 -0.045 1.00 0.00 C ATOM 1085 O LEU A 66 10.991 0.007 -0.688 1.00 0.00 O ATOM 1086 CB LEU A 66 10.683 2.895 0.953 1.00 0.00 C ATOM 1087 CG LEU A 66 11.326 4.250 0.566 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.242 4.523 -0.942 1.00 0.00 C ATOM 1089 CD2 LEU A 66 10.607 5.371 1.317 1.00 0.00 C ATOM 0 H LEU A 66 8.293 3.291 0.235 1.00 0.00 H new ATOM 0 HA LEU A 66 10.559 2.470 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.919 3.065 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.441 2.254 1.402 1.00 0.00 H new ATOM 0 HG LEU A 66 12.381 4.209 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.706 5.484 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.764 3.734 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.197 4.545 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.052 6.330 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.552 5.373 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.704 5.210 2.391 1.00 0.00 H new ATOM 1101 N GLU A 67 9.414 0.086 0.835 1.00 0.00 N ATOM 1102 CA GLU A 67 9.522 -1.390 1.065 1.00 0.00 C ATOM 1103 C GLU A 67 9.210 -2.124 -0.236 1.00 0.00 C ATOM 1104 O GLU A 67 9.798 -3.143 -0.539 1.00 0.00 O ATOM 1105 CB GLU A 67 8.538 -1.866 2.147 1.00 0.00 C ATOM 1106 CG GLU A 67 7.924 -0.680 2.890 1.00 0.00 C ATOM 1107 CD GLU A 67 7.300 -1.164 4.199 1.00 0.00 C ATOM 1108 OE1 GLU A 67 8.036 -1.334 5.158 1.00 0.00 O ATOM 1109 OE2 GLU A 67 6.094 -1.354 4.223 1.00 0.00 O ATOM 0 H GLU A 67 8.716 0.569 1.401 1.00 0.00 H new ATOM 0 HA GLU A 67 10.537 -1.606 1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.748 -2.461 1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.055 -2.514 2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.689 0.069 3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.167 -0.201 2.269 1.00 0.00 H new ATOM 1116 N VAL A 68 8.295 -1.616 -1.013 1.00 0.00 N ATOM 1117 CA VAL A 68 7.965 -2.300 -2.295 1.00 0.00 C ATOM 1118 C VAL A 68 8.693 -1.610 -3.458 1.00 0.00 C ATOM 1119 O VAL A 68 8.556 -1.995 -4.601 1.00 0.00 O ATOM 1120 CB VAL A 68 6.452 -2.284 -2.521 1.00 0.00 C ATOM 1121 CG1 VAL A 68 5.770 -3.138 -1.451 1.00 0.00 C ATOM 1122 CG2 VAL A 68 5.916 -0.858 -2.438 1.00 0.00 C ATOM 0 H VAL A 68 7.766 -0.766 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 68 8.296 -3.337 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 68 6.241 -2.686 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.692 -3.128 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.137 -4.162 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.995 -2.733 -0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.838 -0.864 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.132 -0.445 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.395 -0.244 -3.201 1.00 0.00 H new ATOM 1132 N LYS A 69 9.484 -0.608 -3.156 1.00 0.00 N ATOM 1133 CA LYS A 69 10.268 0.124 -4.199 1.00 0.00 C ATOM 1134 C LYS A 69 9.608 0.070 -5.588 1.00 0.00 C ATOM 1135 O LYS A 69 10.002 -0.699 -6.439 1.00 0.00 O ATOM 1136 CB LYS A 69 11.675 -0.487 -4.280 1.00 0.00 C ATOM 1137 CG LYS A 69 11.603 -1.975 -4.664 1.00 0.00 C ATOM 1138 CD LYS A 69 11.320 -2.829 -3.429 1.00 0.00 C ATOM 1139 CE LYS A 69 10.381 -3.976 -3.815 1.00 0.00 C ATOM 1140 NZ LYS A 69 11.189 -5.174 -4.177 1.00 0.00 N ATOM 0 H LYS A 69 9.621 -0.260 -2.207 1.00 0.00 H new ATOM 0 HA LYS A 69 10.310 1.173 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.270 0.055 -5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.179 -0.379 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.821 -2.128 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.542 -2.285 -5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.251 -3.226 -3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.867 -2.220 -2.647 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.714 -4.210 -2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.753 -3.680 -4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.554 -5.955 -4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.808 -4.945 -4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.770 -5.459 -3.363 1.00 0.00 H new ATOM 1207 N GLN A 73 9.922 4.748 -12.307 1.00 0.00 N ATOM 1208 CA GLN A 73 8.876 4.634 -13.360 1.00 0.00 C ATOM 1209 C GLN A 73 8.474 3.164 -13.488 1.00 0.00 C ATOM 1210 O GLN A 73 9.243 2.341 -13.944 1.00 0.00 O ATOM 1211 CB GLN A 73 9.436 5.136 -14.692 1.00 0.00 C ATOM 1212 CG GLN A 73 10.020 6.537 -14.502 1.00 0.00 C ATOM 1213 CD GLN A 73 10.091 7.254 -15.851 1.00 0.00 C ATOM 1214 OE1 GLN A 73 9.735 6.693 -16.869 1.00 0.00 O ATOM 1215 NE2 GLN A 73 10.538 8.479 -15.903 1.00 0.00 N ATOM 0 HA GLN A 73 8.006 5.234 -13.093 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.206 4.455 -15.055 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.648 5.157 -15.445 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.403 7.108 -13.808 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.015 6.470 -14.062 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.837 8.950 -15.049 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.589 8.966 -16.798 1.00 0.00 H new ATOM 1224 N GLU A 74 7.282 2.819 -13.084 1.00 0.00 N ATOM 1225 CA GLU A 74 6.855 1.393 -13.180 1.00 0.00 C ATOM 1226 C GLU A 74 5.405 1.315 -13.672 1.00 0.00 C ATOM 1227 O GLU A 74 4.599 2.182 -13.399 1.00 0.00 O ATOM 1228 CB GLU A 74 6.982 0.732 -11.804 1.00 0.00 C ATOM 1229 CG GLU A 74 8.449 0.738 -11.373 1.00 0.00 C ATOM 1230 CD GLU A 74 9.298 0.038 -12.433 1.00 0.00 C ATOM 1231 OE1 GLU A 74 8.918 -1.042 -12.849 1.00 0.00 O ATOM 1232 OE2 GLU A 74 10.315 0.596 -12.812 1.00 0.00 O ATOM 0 H GLU A 74 6.589 3.458 -12.694 1.00 0.00 H new ATOM 0 HA GLU A 74 7.494 0.868 -13.891 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.374 1.267 -11.074 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.607 -0.291 -11.843 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.794 1.763 -11.235 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.559 0.233 -10.413 1.00 0.00 H new ATOM 1239 N THR A 75 5.072 0.285 -14.406 1.00 0.00 N ATOM 1240 CA THR A 75 3.679 0.156 -14.926 1.00 0.00 C ATOM 1241 C THR A 75 2.967 -1.010 -14.231 1.00 0.00 C ATOM 1242 O THR A 75 3.512 -2.086 -14.089 1.00 0.00 O ATOM 1243 CB THR A 75 3.726 -0.107 -16.435 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.659 0.779 -17.038 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.341 0.118 -17.041 1.00 0.00 C ATOM 0 H THR A 75 5.704 -0.472 -14.667 1.00 0.00 H new ATOM 0 HA THR A 75 3.134 1.079 -14.727 1.00 0.00 H new ATOM 0 HB THR A 75 4.032 -1.138 -16.614 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.692 0.612 -18.003 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.378 -0.070 -18.114 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.626 -0.563 -16.578 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.029 1.147 -16.864 1.00 0.00 H new ATOM 1253 N LEU A 76 1.751 -0.804 -13.796 1.00 0.00 N ATOM 1254 CA LEU A 76 1.004 -1.899 -13.110 1.00 0.00 C ATOM 1255 C LEU A 76 -0.234 -2.278 -13.930 1.00 0.00 C ATOM 1256 O LEU A 76 -0.659 -1.545 -14.792 1.00 0.00 O ATOM 1257 CB LEU A 76 0.563 -1.426 -11.728 1.00 0.00 C ATOM 1258 CG LEU A 76 1.387 -2.136 -10.658 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.662 -1.173 -9.505 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.599 -3.333 -10.134 1.00 0.00 C ATOM 0 H LEU A 76 1.243 0.076 -13.886 1.00 0.00 H new ATOM 0 HA LEU A 76 1.655 -2.768 -13.013 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.691 -0.347 -11.644 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.497 -1.634 -11.582 1.00 0.00 H new ATOM 0 HG LEU A 76 2.332 -2.472 -11.086 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.251 -1.680 -8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.215 -0.310 -9.876 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.717 -0.841 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.182 -3.845 -9.369 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.342 -2.989 -9.704 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.393 -4.021 -10.954 1.00 0.00 H new ATOM 1272 N PHE A 77 -0.819 -3.417 -13.660 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.042 -3.845 -14.412 1.00 0.00 C ATOM 1274 C PHE A 77 -3.186 -4.058 -13.412 1.00 0.00 C ATOM 1275 O PHE A 77 -2.965 -4.425 -12.281 1.00 0.00 O ATOM 1276 CB PHE A 77 -1.768 -5.159 -15.152 1.00 0.00 C ATOM 1277 CG PHE A 77 -0.859 -4.927 -16.344 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -0.648 -3.635 -16.847 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.229 -6.021 -16.950 1.00 0.00 C ATOM 1280 CE1 PHE A 77 0.190 -3.442 -17.952 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.610 -5.825 -18.054 1.00 0.00 C ATOM 1282 CZ PHE A 77 0.819 -4.536 -18.555 1.00 0.00 C ATOM 0 H PHE A 77 -0.502 -4.074 -12.947 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.312 -3.077 -15.137 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.307 -5.875 -14.472 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.709 -5.596 -15.486 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.132 -2.789 -16.382 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.390 -7.017 -16.565 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.351 -2.447 -18.339 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.096 -6.670 -18.519 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.466 -4.386 -19.407 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.409 -3.818 -13.801 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.527 -4.009 -12.829 1.00 0.00 C ATOM 1294 C LEU A 78 -5.980 -5.469 -12.822 1.00 0.00 C ATOM 1295 O LEU A 78 -6.188 -6.079 -13.852 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.709 -3.115 -13.196 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.277 -2.498 -11.916 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.125 -0.983 -11.976 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.762 -2.851 -11.773 1.00 0.00 C ATOM 0 H LEU A 78 -4.681 -3.503 -14.732 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.166 -3.738 -11.837 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.390 -2.331 -13.883 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.477 -3.695 -13.708 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.732 -2.893 -11.059 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.529 -0.540 -11.065 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.070 -0.727 -12.067 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.668 -0.597 -12.839 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.155 -2.407 -10.859 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.312 -2.464 -12.631 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.876 -3.934 -11.728 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.144 -6.022 -11.653 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.594 -7.436 -11.533 1.00 0.00 C ATOM 1313 C GLU A 79 -7.463 -7.554 -10.283 1.00 0.00 C ATOM 1314 O GLU A 79 -7.389 -6.731 -9.393 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.376 -8.354 -11.405 1.00 0.00 C ATOM 1316 CG GLU A 79 -5.648 -9.670 -12.136 1.00 0.00 C ATOM 1317 CD GLU A 79 -4.962 -10.817 -11.392 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -5.455 -11.193 -10.341 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -3.955 -11.298 -11.884 1.00 0.00 O ATOM 0 H GLU A 79 -5.983 -5.548 -10.764 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.162 -7.729 -12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.496 -7.868 -11.825 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.162 -8.547 -10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.721 -9.851 -12.195 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.278 -9.613 -13.160 1.00 0.00 H new