USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 548 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 56 HIS : no HD1:sc= -1.46 K(o=-2.5,f=-7.2!) USER MOD Set 1.2: A 57 HIS : no HD1:sc= -1.03 K(o=-2.5,f=-0.9) USER MOD Set 2.1: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 41 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-4.7!) USER MOD Single : A 8 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.068) USER MOD Single : A 14 THR OG1 : rot -85:sc= -0.982 USER MOD Single : A 16 GLN : amide:sc= -0.906 K(o=-0.91,f=-1.9!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= -5.45! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.23) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.107 X(o=0.11,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -2.61! K(o=-2.6!,f=-1.7) USER MOD Single : A 64 ASN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 66 ASN : amide:sc= -3.07 X(o=-3.1,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 2 -2.484 17.205 1.765 1.00 0.00 N ATOM 84 CA VAL A 2 -3.136 16.433 2.815 1.00 0.00 C ATOM 85 C VAL A 2 -2.478 15.069 2.985 1.00 0.00 C ATOM 86 O VAL A 2 -2.124 14.411 2.006 1.00 0.00 O ATOM 87 CB VAL A 2 -4.634 16.234 2.518 1.00 0.00 C ATOM 88 CG1 VAL A 2 -5.287 15.392 3.603 1.00 0.00 C ATOM 89 CG2 VAL A 2 -5.333 17.578 2.382 1.00 0.00 C ATOM 0 HA VAL A 2 -3.028 17.002 3.738 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.731 15.702 1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.345 15.262 3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.803 14.416 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.181 15.893 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.391 17.418 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.228 18.138 3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.882 18.142 1.565 1.00 0.00 H new ATOM 99 N LYS A 3 -2.315 14.648 4.235 1.00 0.00 N ATOM 100 CA LYS A 3 -1.700 13.360 4.535 1.00 0.00 C ATOM 101 C LYS A 3 -2.739 12.243 4.514 1.00 0.00 C ATOM 102 O LYS A 3 -3.943 12.501 4.526 1.00 0.00 O ATOM 103 CB LYS A 3 -1.012 13.406 5.901 1.00 0.00 C ATOM 104 CG LYS A 3 -0.353 12.096 6.295 1.00 0.00 C ATOM 105 CD LYS A 3 0.519 12.259 7.528 1.00 0.00 C ATOM 106 CE LYS A 3 1.402 11.040 7.752 1.00 0.00 C ATOM 107 NZ LYS A 3 2.659 11.390 8.469 1.00 0.00 N ATOM 0 H LYS A 3 -2.600 15.180 5.057 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.955 13.153 3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.259 14.194 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.747 13.676 6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.120 11.345 6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.252 11.728 5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.143 13.146 7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.112 12.418 8.403 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.852 10.294 8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.646 10.587 6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.233 10.533 8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.196 12.083 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.427 11.799 9.397 1.00 0.00 H new ATOM 121 N LEU A 4 -2.266 11.002 4.485 1.00 0.00 N ATOM 122 CA LEU A 4 -3.154 9.845 4.465 1.00 0.00 C ATOM 123 C LEU A 4 -2.508 8.651 5.159 1.00 0.00 C ATOM 124 O LEU A 4 -1.403 8.237 4.807 1.00 0.00 O ATOM 125 CB LEU A 4 -3.513 9.478 3.024 1.00 0.00 C ATOM 126 CG LEU A 4 -3.991 10.629 2.138 1.00 0.00 C ATOM 127 CD1 LEU A 4 -4.085 10.183 0.687 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.335 11.154 2.623 1.00 0.00 C ATOM 0 H LEU A 4 -1.273 10.771 4.475 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.064 10.107 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.638 9.025 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.292 8.716 3.047 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.262 11.437 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.427 11.015 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.104 9.856 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.792 9.357 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.659 11.973 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.073 10.352 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.237 11.514 3.647 1.00 0.00 H new ATOM 140 N PHE A 5 -3.205 8.099 6.147 1.00 0.00 N ATOM 141 CA PHE A 5 -2.700 6.951 6.891 1.00 0.00 C ATOM 142 C PHE A 5 -3.181 5.644 6.266 1.00 0.00 C ATOM 143 O PHE A 5 -4.373 5.466 6.015 1.00 0.00 O ATOM 144 CB PHE A 5 -3.148 7.026 8.352 1.00 0.00 C ATOM 145 CG PHE A 5 -3.067 5.710 9.072 1.00 0.00 C ATOM 146 CD1 PHE A 5 -3.993 4.710 8.822 1.00 0.00 C ATOM 147 CD2 PHE A 5 -2.064 5.473 9.998 1.00 0.00 C ATOM 148 CE1 PHE A 5 -3.921 3.499 9.484 1.00 0.00 C ATOM 149 CE2 PHE A 5 -1.987 4.263 10.663 1.00 0.00 C ATOM 150 CZ PHE A 5 -2.916 3.275 10.405 1.00 0.00 C ATOM 0 H PHE A 5 -4.121 8.428 6.451 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.611 6.974 6.851 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.531 7.756 8.876 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.175 7.390 8.391 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.780 4.879 8.102 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.334 6.242 10.203 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.650 2.728 9.281 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.201 4.091 11.383 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.857 2.329 10.922 1.00 0.00 H new ATOM 160 N ILE A 6 -2.245 4.734 6.018 1.00 0.00 N ATOM 161 CA ILE A 6 -2.573 3.444 5.424 1.00 0.00 C ATOM 162 C ILE A 6 -2.008 2.297 6.255 1.00 0.00 C ATOM 163 O ILE A 6 -0.848 2.325 6.664 1.00 0.00 O ATOM 164 CB ILE A 6 -2.035 3.335 3.985 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.621 4.446 3.112 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.360 1.968 3.401 1.00 0.00 C ATOM 167 CD1 ILE A 6 -2.129 4.414 1.682 1.00 0.00 C ATOM 0 H ILE A 6 -1.254 4.866 6.219 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.660 3.373 5.403 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.951 3.451 4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.708 4.365 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.372 5.412 3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.974 1.906 2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.899 1.192 4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.441 1.825 3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.586 5.230 1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.045 4.526 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.401 3.463 1.225 1.00 0.00 H new ATOM 179 N GLY A 7 -2.837 1.286 6.499 1.00 0.00 N ATOM 180 CA GLY A 7 -2.402 0.142 7.278 1.00 0.00 C ATOM 181 C GLY A 7 -2.733 -1.176 6.606 1.00 0.00 C ATOM 182 O GLY A 7 -3.315 -1.200 5.523 1.00 0.00 O ATOM 0 H GLY A 7 -3.802 1.239 6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.326 0.204 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.874 0.174 8.260 1.00 0.00 H new ATOM 186 N ASN A 8 -2.360 -2.277 7.251 1.00 0.00 N ATOM 187 CA ASN A 8 -2.619 -3.606 6.708 1.00 0.00 C ATOM 188 C ASN A 8 -2.064 -3.732 5.293 1.00 0.00 C ATOM 189 O ASN A 8 -2.780 -4.114 4.366 1.00 0.00 O ATOM 190 CB ASN A 8 -4.121 -3.895 6.707 1.00 0.00 C ATOM 191 CG ASN A 8 -4.424 -5.380 6.661 1.00 0.00 C ATOM 192 OD1 ASN A 8 -4.257 -6.090 7.653 1.00 0.00 O ATOM 193 ND2 ASN A 8 -4.871 -5.857 5.505 1.00 0.00 N ATOM 0 H ASN A 8 -1.878 -2.275 8.150 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.116 -4.336 7.343 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.572 -3.462 7.600 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.582 -3.406 5.849 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.091 -6.849 5.413 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.994 -5.232 4.709 1.00 0.00 H new ATOM 200 N LEU A 9 -0.786 -3.410 5.133 1.00 0.00 N ATOM 201 CA LEU A 9 -0.133 -3.488 3.831 1.00 0.00 C ATOM 202 C LEU A 9 0.518 -4.852 3.629 1.00 0.00 C ATOM 203 O LEU A 9 1.071 -5.447 4.554 1.00 0.00 O ATOM 204 CB LEU A 9 0.917 -2.384 3.697 1.00 0.00 C ATOM 205 CG LEU A 9 0.387 -0.949 3.700 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.521 0.039 3.476 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.691 -0.777 2.640 1.00 0.00 C ATOM 0 H LEU A 9 -0.180 -3.092 5.889 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.894 -3.352 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.631 -2.488 4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.468 -2.545 2.770 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.056 -0.747 4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.125 1.055 3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.258 -0.067 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.993 -0.161 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.057 0.250 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.274 -0.998 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.516 -1.459 2.846 1.00 0.00 H new ATOM 219 N PRO A 10 0.454 -5.361 2.389 1.00 0.00 N ATOM 220 CA PRO A 10 1.035 -6.660 2.036 1.00 0.00 C ATOM 221 C PRO A 10 2.549 -6.592 1.869 1.00 0.00 C ATOM 222 O PRO A 10 3.148 -5.521 1.980 1.00 0.00 O ATOM 223 CB PRO A 10 0.365 -6.997 0.702 1.00 0.00 C ATOM 224 CG PRO A 10 0.039 -5.675 0.097 1.00 0.00 C ATOM 225 CD PRO A 10 -0.189 -4.708 1.237 1.00 0.00 C ATOM 0 HA PRO A 10 0.868 -7.406 2.813 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.031 -7.573 0.059 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.533 -7.597 0.850 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.853 -5.332 -0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.849 -5.747 -0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.256 -3.735 1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.252 -4.542 1.414 1.00 0.00 H new ATOM 233 N ARG A 11 3.163 -7.740 1.603 1.00 0.00 N ATOM 234 CA ARG A 11 4.608 -7.810 1.422 1.00 0.00 C ATOM 235 C ARG A 11 4.994 -7.458 -0.012 1.00 0.00 C ATOM 236 O ARG A 11 6.111 -7.014 -0.272 1.00 0.00 O ATOM 237 CB ARG A 11 5.120 -9.209 1.770 1.00 0.00 C ATOM 238 CG ARG A 11 4.897 -9.594 3.223 1.00 0.00 C ATOM 239 CD ARG A 11 5.259 -11.050 3.475 1.00 0.00 C ATOM 240 NE ARG A 11 4.428 -11.963 2.696 1.00 0.00 N ATOM 241 CZ ARG A 11 4.562 -13.285 2.725 1.00 0.00 C ATOM 242 NH1 ARG A 11 5.488 -13.844 3.491 1.00 0.00 N ATOM 243 NH2 ARG A 11 3.767 -14.050 1.988 1.00 0.00 N ATOM 0 H ARG A 11 2.682 -8.635 1.508 1.00 0.00 H new ATOM 0 HA ARG A 11 5.068 -7.085 2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.624 -9.938 1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.186 -9.262 1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.498 -8.952 3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.853 -9.426 3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.308 -11.211 3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.146 -11.273 4.536 1.00 0.00 H new ATOM 0 HE ARG A 11 3.705 -11.565 2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.100 -13.259 4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.589 -14.859 3.511 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.052 -13.624 1.398 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.871 -15.064 2.011 1.00 0.00 H new ATOM 257 N GLU A 12 4.061 -7.660 -0.937 1.00 0.00 N ATOM 258 CA GLU A 12 4.305 -7.365 -2.344 1.00 0.00 C ATOM 259 C GLU A 12 4.072 -5.886 -2.638 1.00 0.00 C ATOM 260 O GLU A 12 4.502 -5.372 -3.670 1.00 0.00 O ATOM 261 CB GLU A 12 3.400 -8.222 -3.232 1.00 0.00 C ATOM 262 CG GLU A 12 3.633 -9.715 -3.077 1.00 0.00 C ATOM 263 CD GLU A 12 3.154 -10.245 -1.739 1.00 0.00 C ATOM 264 OE1 GLU A 12 1.926 -10.280 -1.520 1.00 0.00 O ATOM 265 OE2 GLU A 12 4.010 -10.624 -0.912 1.00 0.00 O ATOM 0 H GLU A 12 3.130 -8.026 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 12 5.346 -7.601 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.359 -7.999 -2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.559 -7.944 -4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.118 -10.244 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.697 -9.926 -3.187 1.00 0.00 H new ATOM 272 N ALA A 13 3.386 -5.208 -1.724 1.00 0.00 N ATOM 273 CA ALA A 13 3.096 -3.788 -1.884 1.00 0.00 C ATOM 274 C ALA A 13 4.381 -2.973 -1.981 1.00 0.00 C ATOM 275 O ALA A 13 5.229 -3.021 -1.089 1.00 0.00 O ATOM 276 CB ALA A 13 2.240 -3.291 -0.728 1.00 0.00 C ATOM 0 H ALA A 13 3.021 -5.619 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 13 2.543 -3.658 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.031 -2.229 -0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.302 -3.845 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.773 -3.442 0.211 1.00 0.00 H new ATOM 282 N THR A 14 4.521 -2.225 -3.071 1.00 0.00 N ATOM 283 CA THR A 14 5.703 -1.401 -3.286 1.00 0.00 C ATOM 284 C THR A 14 5.352 0.082 -3.260 1.00 0.00 C ATOM 285 O THR A 14 4.223 0.467 -3.562 1.00 0.00 O ATOM 286 CB THR A 14 6.383 -1.732 -4.628 1.00 0.00 C ATOM 287 OG1 THR A 14 5.403 -1.803 -5.669 1.00 0.00 O ATOM 288 CG2 THR A 14 7.136 -3.052 -4.541 1.00 0.00 C ATOM 0 H THR A 14 3.829 -2.173 -3.819 1.00 0.00 H new ATOM 0 HA THR A 14 6.394 -1.623 -2.473 1.00 0.00 H new ATOM 0 HB THR A 14 7.096 -0.939 -4.855 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.012 -2.701 -5.689 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.608 -3.265 -5.500 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.901 -2.984 -3.767 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.439 -3.853 -4.294 1.00 0.00 H new ATOM 296 N GLU A 15 6.327 0.911 -2.899 1.00 0.00 N ATOM 297 CA GLU A 15 6.119 2.353 -2.834 1.00 0.00 C ATOM 298 C GLU A 15 5.349 2.846 -4.055 1.00 0.00 C ATOM 299 O GLU A 15 4.422 3.647 -3.935 1.00 0.00 O ATOM 300 CB GLU A 15 7.461 3.080 -2.735 1.00 0.00 C ATOM 301 CG GLU A 15 7.386 4.395 -1.977 1.00 0.00 C ATOM 302 CD GLU A 15 8.630 5.244 -2.158 1.00 0.00 C ATOM 303 OE1 GLU A 15 8.680 6.024 -3.132 1.00 0.00 O ATOM 304 OE2 GLU A 15 9.552 5.129 -1.324 1.00 0.00 O ATOM 0 H GLU A 15 7.268 0.609 -2.647 1.00 0.00 H new ATOM 0 HA GLU A 15 5.530 2.570 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.183 2.428 -2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.837 3.271 -3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.515 4.956 -2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.241 4.191 -0.916 1.00 0.00 H new ATOM 311 N GLN A 16 5.741 2.363 -5.230 1.00 0.00 N ATOM 312 CA GLN A 16 5.089 2.756 -6.473 1.00 0.00 C ATOM 313 C GLN A 16 3.633 2.302 -6.492 1.00 0.00 C ATOM 314 O GLN A 16 2.719 3.122 -6.576 1.00 0.00 O ATOM 315 CB GLN A 16 5.834 2.168 -7.673 1.00 0.00 C ATOM 316 CG GLN A 16 5.671 2.979 -8.948 1.00 0.00 C ATOM 317 CD GLN A 16 6.364 4.325 -8.876 1.00 0.00 C ATOM 318 OE1 GLN A 16 5.713 5.370 -8.843 1.00 0.00 O ATOM 319 NE2 GLN A 16 7.691 4.308 -8.850 1.00 0.00 N ATOM 0 H GLN A 16 6.507 1.699 -5.347 1.00 0.00 H new ATOM 0 HA GLN A 16 5.112 3.844 -6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.894 2.096 -7.432 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.477 1.153 -7.850 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.072 2.412 -9.788 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.610 3.131 -9.144 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.190 3.419 -8.879 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.211 5.184 -8.801 1.00 0.00 H new ATOM 328 N GLU A 17 3.426 0.991 -6.413 1.00 0.00 N ATOM 329 CA GLU A 17 2.080 0.430 -6.422 1.00 0.00 C ATOM 330 C GLU A 17 1.114 1.320 -5.646 1.00 0.00 C ATOM 331 O GLU A 17 0.027 1.641 -6.127 1.00 0.00 O ATOM 332 CB GLU A 17 2.087 -0.978 -5.823 1.00 0.00 C ATOM 333 CG GLU A 17 2.539 -2.053 -6.798 1.00 0.00 C ATOM 334 CD GLU A 17 1.784 -2.002 -8.112 1.00 0.00 C ATOM 335 OE1 GLU A 17 2.236 -1.283 -9.028 1.00 0.00 O ATOM 336 OE2 GLU A 17 0.742 -2.680 -8.225 1.00 0.00 O ATOM 0 H GLU A 17 4.172 0.299 -6.342 1.00 0.00 H new ATOM 0 HA GLU A 17 1.744 0.375 -7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.743 -0.990 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.084 -1.218 -5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.606 -1.938 -6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.401 -3.033 -6.342 1.00 0.00 H new ATOM 343 N ILE A 18 1.518 1.713 -4.443 1.00 0.00 N ATOM 344 CA ILE A 18 0.689 2.566 -3.600 1.00 0.00 C ATOM 345 C ILE A 18 0.575 3.971 -4.183 1.00 0.00 C ATOM 346 O ILE A 18 -0.491 4.586 -4.142 1.00 0.00 O ATOM 347 CB ILE A 18 1.250 2.660 -2.169 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.288 1.275 -1.520 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.415 3.620 -1.334 1.00 0.00 C ATOM 350 CD1 ILE A 18 0.001 0.497 -1.683 1.00 0.00 C ATOM 0 H ILE A 18 2.414 1.455 -4.030 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.300 2.109 -3.564 1.00 0.00 H new ATOM 0 HB ILE A 18 2.269 3.045 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.107 0.702 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.504 1.386 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.824 3.675 -0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.436 4.610 -1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.614 3.263 -1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.099 -0.475 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.819 1.050 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.206 0.355 -2.744 1.00 0.00 H new ATOM 362 N ARG A 19 1.679 4.471 -4.727 1.00 0.00 N ATOM 363 CA ARG A 19 1.703 5.803 -5.319 1.00 0.00 C ATOM 364 C ARG A 19 0.753 5.886 -6.510 1.00 0.00 C ATOM 365 O ARG A 19 -0.218 6.642 -6.492 1.00 0.00 O ATOM 366 CB ARG A 19 3.123 6.163 -5.760 1.00 0.00 C ATOM 367 CG ARG A 19 3.269 7.601 -6.231 1.00 0.00 C ATOM 368 CD ARG A 19 4.628 7.843 -6.868 1.00 0.00 C ATOM 369 NE ARG A 19 4.696 9.140 -7.536 1.00 0.00 N ATOM 370 CZ ARG A 19 5.766 9.574 -8.193 1.00 0.00 C ATOM 371 NH1 ARG A 19 6.853 8.817 -8.269 1.00 0.00 N ATOM 372 NH2 ARG A 19 5.751 10.766 -8.775 1.00 0.00 N ATOM 0 H ARG A 19 2.569 3.974 -4.770 1.00 0.00 H new ATOM 0 HA ARG A 19 1.373 6.515 -4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.807 5.991 -4.929 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.425 5.493 -6.565 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.483 7.831 -6.950 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.136 8.277 -5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.402 7.788 -6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.836 7.053 -7.589 1.00 0.00 H new ATOM 0 HE ARG A 19 3.877 9.746 -7.496 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.868 7.900 -7.823 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.674 9.152 -8.774 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.917 11.351 -8.718 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.573 11.098 -9.279 1.00 0.00 H new ATOM 386 N SER A 20 1.041 5.103 -7.546 1.00 0.00 N ATOM 387 CA SER A 20 0.216 5.091 -8.748 1.00 0.00 C ATOM 388 C SER A 20 -1.264 5.198 -8.391 1.00 0.00 C ATOM 389 O SER A 20 -2.011 5.955 -9.013 1.00 0.00 O ATOM 390 CB SER A 20 0.467 3.814 -9.551 1.00 0.00 C ATOM 391 OG SER A 20 1.656 3.918 -10.315 1.00 0.00 O ATOM 0 H SER A 20 1.839 4.469 -7.576 1.00 0.00 H new ATOM 0 HA SER A 20 0.489 5.954 -9.356 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.539 2.963 -8.874 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.379 3.624 -10.212 1.00 0.00 H new ATOM 0 HG SER A 20 1.795 3.089 -10.818 1.00 0.00 H new ATOM 397 N LEU A 21 -1.680 4.436 -7.386 1.00 0.00 N ATOM 398 CA LEU A 21 -3.071 4.443 -6.945 1.00 0.00 C ATOM 399 C LEU A 21 -3.532 5.861 -6.622 1.00 0.00 C ATOM 400 O LEU A 21 -4.489 6.363 -7.210 1.00 0.00 O ATOM 401 CB LEU A 21 -3.243 3.546 -5.718 1.00 0.00 C ATOM 402 CG LEU A 21 -3.339 2.045 -5.993 1.00 0.00 C ATOM 403 CD1 LEU A 21 -3.196 1.256 -4.700 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.655 1.712 -6.680 1.00 0.00 C ATOM 0 H LEU A 21 -1.074 3.805 -6.861 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.686 4.057 -7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.403 3.719 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.144 3.857 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.523 1.764 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.267 0.190 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.228 1.472 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.991 1.541 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.706 0.640 -6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.485 2.008 -6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.718 2.250 -7.626 1.00 0.00 H new ATOM 416 N PHE A 22 -2.842 6.502 -5.684 1.00 0.00 N ATOM 417 CA PHE A 22 -3.179 7.863 -5.282 1.00 0.00 C ATOM 418 C PHE A 22 -2.916 8.846 -6.419 1.00 0.00 C ATOM 419 O PHE A 22 -3.425 9.966 -6.414 1.00 0.00 O ATOM 420 CB PHE A 22 -2.373 8.267 -4.046 1.00 0.00 C ATOM 421 CG PHE A 22 -2.841 7.603 -2.782 1.00 0.00 C ATOM 422 CD1 PHE A 22 -3.963 8.067 -2.115 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.158 6.515 -2.262 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.395 7.459 -0.952 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.586 5.903 -1.099 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.706 6.374 -0.444 1.00 0.00 C ATOM 0 H PHE A 22 -2.046 6.101 -5.188 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.241 7.891 -5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.324 8.020 -4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.431 9.348 -3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.506 8.913 -2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.282 6.141 -2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.270 7.831 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.044 5.057 -0.703 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.043 5.896 0.464 1.00 0.00 H new ATOM 436 N GLU A 23 -2.117 8.418 -7.391 1.00 0.00 N ATOM 437 CA GLU A 23 -1.785 9.261 -8.533 1.00 0.00 C ATOM 438 C GLU A 23 -2.942 9.313 -9.526 1.00 0.00 C ATOM 439 O GLU A 23 -2.850 9.960 -10.569 1.00 0.00 O ATOM 440 CB GLU A 23 -0.525 8.742 -9.229 1.00 0.00 C ATOM 441 CG GLU A 23 0.765 9.153 -8.540 1.00 0.00 C ATOM 442 CD GLU A 23 1.227 10.539 -8.946 1.00 0.00 C ATOM 443 OE1 GLU A 23 0.692 11.077 -9.937 1.00 0.00 O ATOM 444 OE2 GLU A 23 2.125 11.086 -8.271 1.00 0.00 O ATOM 0 H GLU A 23 -1.688 7.493 -7.410 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.599 10.270 -8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.570 7.654 -9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.511 9.107 -10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.621 9.124 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.545 8.430 -8.777 1.00 0.00 H new ATOM 451 N GLN A 24 -4.031 8.626 -9.193 1.00 0.00 N ATOM 452 CA GLN A 24 -5.206 8.593 -10.056 1.00 0.00 C ATOM 453 C GLN A 24 -6.224 9.646 -9.630 1.00 0.00 C ATOM 454 O GLN A 24 -6.982 10.160 -10.452 1.00 0.00 O ATOM 455 CB GLN A 24 -5.847 7.205 -10.026 1.00 0.00 C ATOM 456 CG GLN A 24 -4.865 6.075 -10.289 1.00 0.00 C ATOM 457 CD GLN A 24 -5.555 4.768 -10.627 1.00 0.00 C ATOM 458 OE1 GLN A 24 -5.671 4.398 -11.796 1.00 0.00 O ATOM 459 NE2 GLN A 24 -6.017 4.061 -9.603 1.00 0.00 N ATOM 0 H GLN A 24 -4.124 8.086 -8.333 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.885 8.815 -11.074 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.314 7.050 -9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.642 7.165 -10.771 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.205 6.356 -11.110 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.237 5.933 -9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.899 4.406 -8.650 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.490 3.173 -9.769 1.00 0.00 H new ATOM 468 N TYR A 25 -6.235 9.962 -8.339 1.00 0.00 N ATOM 469 CA TYR A 25 -7.162 10.952 -7.803 1.00 0.00 C ATOM 470 C TYR A 25 -6.447 12.267 -7.513 1.00 0.00 C ATOM 471 O TYR A 25 -7.065 13.244 -7.091 1.00 0.00 O ATOM 472 CB TYR A 25 -7.822 10.425 -6.528 1.00 0.00 C ATOM 473 CG TYR A 25 -8.403 9.037 -6.675 1.00 0.00 C ATOM 474 CD1 TYR A 25 -9.629 8.839 -7.299 1.00 0.00 C ATOM 475 CD2 TYR A 25 -7.728 7.924 -6.191 1.00 0.00 C ATOM 476 CE1 TYR A 25 -10.165 7.573 -7.436 1.00 0.00 C ATOM 477 CE2 TYR A 25 -8.255 6.654 -6.324 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.474 6.484 -6.947 1.00 0.00 C ATOM 479 OH TYR A 25 -10.004 5.221 -7.081 1.00 0.00 O ATOM 0 H TYR A 25 -5.613 9.547 -7.645 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.931 11.136 -8.553 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.086 10.418 -5.724 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.614 11.111 -6.229 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.172 9.690 -7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.774 8.054 -5.702 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.119 7.437 -7.923 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.716 5.799 -5.943 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.392 4.566 -6.685 1.00 0.00 H new ATOM 489 N GLY A 26 -5.137 12.285 -7.743 1.00 0.00 N ATOM 490 CA GLY A 26 -4.358 13.485 -7.502 1.00 0.00 C ATOM 491 C GLY A 26 -2.868 13.209 -7.456 1.00 0.00 C ATOM 492 O GLY A 26 -2.446 12.070 -7.258 1.00 0.00 O ATOM 0 H GLY A 26 -4.602 11.490 -8.092 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.566 14.213 -8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.671 13.934 -6.559 1.00 0.00 H new ATOM 496 N LYS A 27 -2.068 14.254 -7.641 1.00 0.00 N ATOM 497 CA LYS A 27 -0.617 14.120 -7.620 1.00 0.00 C ATOM 498 C LYS A 27 -0.122 13.772 -6.219 1.00 0.00 C ATOM 499 O LYS A 27 -0.635 14.284 -5.224 1.00 0.00 O ATOM 500 CB LYS A 27 0.043 15.416 -8.097 1.00 0.00 C ATOM 501 CG LYS A 27 1.548 15.307 -8.263 1.00 0.00 C ATOM 502 CD LYS A 27 2.129 16.552 -8.913 1.00 0.00 C ATOM 503 CE LYS A 27 3.609 16.382 -9.219 1.00 0.00 C ATOM 504 NZ LYS A 27 4.068 17.323 -10.278 1.00 0.00 N ATOM 0 H LYS A 27 -2.401 15.204 -7.807 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.343 13.309 -8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.399 15.710 -9.049 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.179 16.210 -7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.012 15.154 -7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.786 14.434 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.588 16.769 -9.834 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.989 17.408 -8.253 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.189 16.547 -8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.799 15.357 -9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.082 17.176 -10.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.533 17.149 -11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.911 18.302 -9.964 1.00 0.00 H new ATOM 518 N VAL A 28 0.877 12.899 -6.149 1.00 0.00 N ATOM 519 CA VAL A 28 1.443 12.484 -4.871 1.00 0.00 C ATOM 520 C VAL A 28 2.734 13.237 -4.571 1.00 0.00 C ATOM 521 O VAL A 28 3.539 13.493 -5.468 1.00 0.00 O ATOM 522 CB VAL A 28 1.725 10.971 -4.846 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.708 10.629 -3.737 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.430 10.190 -4.682 1.00 0.00 C ATOM 0 H VAL A 28 1.312 12.465 -6.963 1.00 0.00 H new ATOM 0 HA VAL A 28 0.703 12.720 -4.106 1.00 0.00 H new ATOM 0 HB VAL A 28 2.175 10.687 -5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.895 9.555 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.645 11.160 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.290 10.926 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.649 9.122 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.051 10.476 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.237 10.412 -5.515 1.00 0.00 H new ATOM 534 N LEU A 29 2.928 13.588 -3.305 1.00 0.00 N ATOM 535 CA LEU A 29 4.124 14.311 -2.886 1.00 0.00 C ATOM 536 C LEU A 29 5.071 13.397 -2.115 1.00 0.00 C ATOM 537 O LEU A 29 6.221 13.206 -2.508 1.00 0.00 O ATOM 538 CB LEU A 29 3.740 15.513 -2.021 1.00 0.00 C ATOM 539 CG LEU A 29 2.645 16.420 -2.581 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.375 17.579 -1.634 1.00 0.00 C ATOM 541 CD2 LEU A 29 3.032 16.936 -3.960 1.00 0.00 C ATOM 0 H LEU A 29 2.273 13.384 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 29 4.637 14.664 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.417 15.146 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.633 16.115 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 29 1.730 15.835 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.593 18.214 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.053 17.192 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.286 18.163 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.240 17.580 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.959 17.504 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.174 16.094 -4.637 1.00 0.00 H new ATOM 553 N GLU A 30 4.577 12.833 -1.017 1.00 0.00 N ATOM 554 CA GLU A 30 5.380 11.937 -0.192 1.00 0.00 C ATOM 555 C GLU A 30 4.678 10.595 -0.004 1.00 0.00 C ATOM 556 O GLU A 30 3.470 10.541 0.228 1.00 0.00 O ATOM 557 CB GLU A 30 5.657 12.575 1.171 1.00 0.00 C ATOM 558 CG GLU A 30 6.886 13.469 1.186 1.00 0.00 C ATOM 559 CD GLU A 30 7.522 13.563 2.559 1.00 0.00 C ATOM 560 OE1 GLU A 30 6.873 14.106 3.478 1.00 0.00 O ATOM 561 OE2 GLU A 30 8.669 13.094 2.715 1.00 0.00 O ATOM 0 H GLU A 30 3.626 12.980 -0.678 1.00 0.00 H new ATOM 0 HA GLU A 30 6.327 11.764 -0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.788 13.161 1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.782 11.787 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.619 13.085 0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.608 14.468 0.849 1.00 0.00 H new ATOM 568 N CYS A 31 5.444 9.515 -0.107 1.00 0.00 N ATOM 569 CA CYS A 31 4.897 8.172 0.049 1.00 0.00 C ATOM 570 C CYS A 31 5.925 7.235 0.675 1.00 0.00 C ATOM 571 O CYS A 31 6.947 6.921 0.064 1.00 0.00 O ATOM 572 CB CYS A 31 4.445 7.622 -1.304 1.00 0.00 C ATOM 573 SG CYS A 31 2.718 7.975 -1.705 1.00 0.00 S ATOM 0 H CYS A 31 6.446 9.543 -0.298 1.00 0.00 H new ATOM 0 HA CYS A 31 4.036 8.233 0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.081 8.040 -2.085 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.596 6.543 -1.314 1.00 0.00 H new ATOM 0 HG CYS A 31 2.431 7.472 -2.869 1.00 0.00 H new ATOM 579 N ASP A 32 5.649 6.794 1.897 1.00 0.00 N ATOM 580 CA ASP A 32 6.550 5.893 2.607 1.00 0.00 C ATOM 581 C ASP A 32 5.819 4.629 3.048 1.00 0.00 C ATOM 582 O ASP A 32 4.589 4.578 3.044 1.00 0.00 O ATOM 583 CB ASP A 32 7.156 6.597 3.822 1.00 0.00 C ATOM 584 CG ASP A 32 8.424 5.923 4.309 1.00 0.00 C ATOM 585 OD1 ASP A 32 9.428 5.942 3.567 1.00 0.00 O ATOM 586 OD2 ASP A 32 8.411 5.376 5.432 1.00 0.00 O ATOM 0 H ASP A 32 4.808 7.046 2.417 1.00 0.00 H new ATOM 0 HA ASP A 32 7.351 5.608 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.374 7.634 3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.424 6.615 4.630 1.00 0.00 H new ATOM 591 N ILE A 33 6.584 3.611 3.426 1.00 0.00 N ATOM 592 CA ILE A 33 6.009 2.347 3.869 1.00 0.00 C ATOM 593 C ILE A 33 6.865 1.704 4.955 1.00 0.00 C ATOM 594 O ILE A 33 7.954 1.198 4.683 1.00 0.00 O ATOM 595 CB ILE A 33 5.856 1.357 2.699 1.00 0.00 C ATOM 596 CG1 ILE A 33 4.903 1.923 1.645 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.356 0.012 3.205 1.00 0.00 C ATOM 598 CD1 ILE A 33 4.696 1.004 0.462 1.00 0.00 C ATOM 0 H ILE A 33 7.604 3.637 3.434 1.00 0.00 H new ATOM 0 HA ILE A 33 5.023 2.574 4.274 1.00 0.00 H new ATOM 0 HB ILE A 33 6.832 1.209 2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.938 2.126 2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.292 2.877 1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.253 -0.677 2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.068 -0.394 3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.388 0.142 3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.009 1.470 -0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.652 0.821 -0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.277 0.058 0.805 1.00 0.00 H new ATOM 610 N ILE A 34 6.364 1.727 6.186 1.00 0.00 N ATOM 611 CA ILE A 34 7.082 1.144 7.313 1.00 0.00 C ATOM 612 C ILE A 34 6.116 0.532 8.322 1.00 0.00 C ATOM 613 O ILE A 34 4.919 0.819 8.306 1.00 0.00 O ATOM 614 CB ILE A 34 7.956 2.192 8.027 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.753 3.005 7.005 1.00 0.00 C ATOM 616 CG2 ILE A 34 8.891 1.516 9.018 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.370 4.261 7.580 1.00 0.00 C ATOM 0 H ILE A 34 5.465 2.143 6.428 1.00 0.00 H new ATOM 0 HA ILE A 34 7.725 0.362 6.908 1.00 0.00 H new ATOM 0 HB ILE A 34 7.305 2.872 8.577 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.543 2.379 6.591 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.097 3.278 6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.502 2.270 9.514 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.305 0.977 9.762 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.538 0.816 8.489 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.920 4.787 6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.583 4.908 7.968 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.052 3.995 8.387 1.00 0.00 H new ATOM 629 N LYS A 35 6.645 -0.314 9.200 1.00 0.00 N ATOM 630 CA LYS A 35 5.832 -0.966 10.220 1.00 0.00 C ATOM 631 C LYS A 35 4.458 -1.333 9.668 1.00 0.00 C ATOM 632 O LYS A 35 3.431 -0.949 10.227 1.00 0.00 O ATOM 633 CB LYS A 35 5.676 -0.053 11.438 1.00 0.00 C ATOM 634 CG LYS A 35 6.842 -0.130 12.409 1.00 0.00 C ATOM 635 CD LYS A 35 6.967 1.140 13.233 1.00 0.00 C ATOM 636 CE LYS A 35 8.272 1.172 14.014 1.00 0.00 C ATOM 637 NZ LYS A 35 8.254 0.222 15.161 1.00 0.00 N ATOM 0 H LYS A 35 7.634 -0.564 9.226 1.00 0.00 H new ATOM 0 HA LYS A 35 6.340 -1.882 10.523 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.565 0.977 11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.758 -0.316 11.964 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.708 -0.984 13.073 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.766 -0.298 11.856 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.914 2.008 12.576 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.127 1.211 13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.099 0.924 13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.451 2.182 14.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.160 0.273 15.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.480 0.474 15.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.109 -0.745 14.808 1.00 0.00 H new ATOM 651 N ASN A 36 4.447 -2.079 8.568 1.00 0.00 N ATOM 652 CA ASN A 36 3.199 -2.498 7.941 1.00 0.00 C ATOM 653 C ASN A 36 2.239 -1.321 7.799 1.00 0.00 C ATOM 654 O ASN A 36 1.031 -1.464 7.993 1.00 0.00 O ATOM 655 CB ASN A 36 2.541 -3.610 8.761 1.00 0.00 C ATOM 656 CG ASN A 36 3.558 -4.494 9.457 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.539 -4.927 8.852 1.00 0.00 O ATOM 658 ND2 ASN A 36 3.327 -4.767 10.736 1.00 0.00 N ATOM 0 H ASN A 36 5.288 -2.406 8.093 1.00 0.00 H new ATOM 0 HA ASN A 36 3.431 -2.877 6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.880 -3.166 9.505 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.920 -4.221 8.107 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.976 -5.357 11.257 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.501 -4.386 11.198 1.00 0.00 H new ATOM 665 N TYR A 37 2.784 -0.158 7.459 1.00 0.00 N ATOM 666 CA TYR A 37 1.977 1.045 7.292 1.00 0.00 C ATOM 667 C TYR A 37 2.579 1.961 6.230 1.00 0.00 C ATOM 668 O TYR A 37 3.771 1.889 5.935 1.00 0.00 O ATOM 669 CB TYR A 37 1.860 1.793 8.620 1.00 0.00 C ATOM 670 CG TYR A 37 3.051 2.672 8.928 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.340 3.783 8.145 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.888 2.392 10.001 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.428 4.588 8.421 1.00 0.00 C ATOM 674 CE2 TYR A 37 4.977 3.192 10.286 1.00 0.00 C ATOM 675 CZ TYR A 37 5.243 4.289 9.493 1.00 0.00 C ATOM 676 OH TYR A 37 6.328 5.088 9.773 1.00 0.00 O ATOM 0 H TYR A 37 3.781 -0.023 7.294 1.00 0.00 H new ATOM 0 HA TYR A 37 0.982 0.743 6.964 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.960 2.408 8.603 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.736 1.069 9.425 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.703 4.021 7.306 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.683 1.533 10.623 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.639 5.447 7.801 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.617 2.960 11.125 1.00 0.00 H new ATOM 0 HH TYR A 37 6.796 4.740 10.560 1.00 0.00 H new ATOM 686 N GLY A 38 1.743 2.824 5.660 1.00 0.00 N ATOM 687 CA GLY A 38 2.208 3.743 4.638 1.00 0.00 C ATOM 688 C GLY A 38 1.623 5.132 4.798 1.00 0.00 C ATOM 689 O GLY A 38 0.459 5.284 5.169 1.00 0.00 O ATOM 0 H GLY A 38 0.752 2.903 5.888 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.296 3.804 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.945 3.352 3.655 1.00 0.00 H new ATOM 693 N PHE A 39 2.432 6.149 4.518 1.00 0.00 N ATOM 694 CA PHE A 39 1.988 7.533 4.635 1.00 0.00 C ATOM 695 C PHE A 39 2.005 8.226 3.276 1.00 0.00 C ATOM 696 O PHE A 39 3.059 8.388 2.662 1.00 0.00 O ATOM 697 CB PHE A 39 2.879 8.294 5.620 1.00 0.00 C ATOM 698 CG PHE A 39 2.734 7.831 7.041 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.482 7.576 7.577 1.00 0.00 C ATOM 700 CD2 PHE A 39 3.851 7.650 7.841 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.346 7.149 8.884 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.721 7.223 9.149 1.00 0.00 C ATOM 703 CZ PHE A 39 2.467 6.973 9.672 1.00 0.00 C ATOM 0 H PHE A 39 3.398 6.041 4.209 1.00 0.00 H new ATOM 0 HA PHE A 39 0.964 7.530 5.009 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.920 8.185 5.315 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.641 9.356 5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.602 7.713 6.966 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.834 7.845 7.438 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.364 6.953 9.289 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.599 7.085 9.762 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.363 6.641 10.694 1.00 0.00 H new ATOM 713 N VAL A 40 0.828 8.633 2.812 1.00 0.00 N ATOM 714 CA VAL A 40 0.705 9.309 1.526 1.00 0.00 C ATOM 715 C VAL A 40 0.257 10.755 1.706 1.00 0.00 C ATOM 716 O VAL A 40 -0.736 11.029 2.381 1.00 0.00 O ATOM 717 CB VAL A 40 -0.293 8.584 0.603 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.454 9.339 -0.707 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.157 7.153 0.352 1.00 0.00 C ATOM 0 H VAL A 40 -0.054 8.506 3.308 1.00 0.00 H new ATOM 0 HA VAL A 40 1.692 9.293 1.064 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.264 8.554 1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.163 8.812 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.825 10.344 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.510 9.403 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.559 6.656 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.138 7.158 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.215 6.618 1.300 1.00 0.00 H new ATOM 729 N HIS A 41 0.994 11.678 1.096 1.00 0.00 N ATOM 730 CA HIS A 41 0.672 13.097 1.187 1.00 0.00 C ATOM 731 C HIS A 41 0.267 13.651 -0.175 1.00 0.00 C ATOM 732 O HIS A 41 1.114 14.091 -0.953 1.00 0.00 O ATOM 733 CB HIS A 41 1.867 13.879 1.735 1.00 0.00 C ATOM 734 CG HIS A 41 2.442 13.294 2.988 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.307 12.220 2.989 1.00 0.00 N ATOM 736 CD2 HIS A 41 2.272 13.641 4.285 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.643 11.931 4.233 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.029 12.778 5.039 1.00 0.00 N ATOM 0 H HIS A 41 1.818 11.468 0.533 1.00 0.00 H new ATOM 0 HA HIS A 41 -0.170 13.210 1.870 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.645 13.919 0.972 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.559 14.906 1.931 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.656 14.446 4.658 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.307 11.137 4.539 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.105 12.789 6.056 1.00 0.00 H new ATOM 746 N ILE A 42 -1.031 13.627 -0.457 1.00 0.00 N ATOM 747 CA ILE A 42 -1.547 14.127 -1.725 1.00 0.00 C ATOM 748 C ILE A 42 -1.327 15.630 -1.853 1.00 0.00 C ATOM 749 O ILE A 42 -0.993 16.303 -0.879 1.00 0.00 O ATOM 750 CB ILE A 42 -3.049 13.824 -1.880 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.452 13.876 -3.356 1.00 0.00 C ATOM 752 CG2 ILE A 42 -3.875 14.807 -1.065 1.00 0.00 C ATOM 753 CD1 ILE A 42 -4.739 13.140 -3.657 1.00 0.00 C ATOM 0 H ILE A 42 -1.745 13.266 0.176 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.998 13.613 -2.514 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.243 12.819 -1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.559 14.918 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.650 13.450 -3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.934 14.579 -1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.603 14.725 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.680 15.822 -1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.963 13.219 -4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.630 12.090 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.553 13.580 -3.081 1.00 0.00 H new ATOM 765 N GLU A 43 -1.520 16.150 -3.061 1.00 0.00 N ATOM 766 CA GLU A 43 -1.344 17.575 -3.316 1.00 0.00 C ATOM 767 C GLU A 43 -2.645 18.336 -3.079 1.00 0.00 C ATOM 768 O GLU A 43 -2.634 19.478 -2.619 1.00 0.00 O ATOM 769 CB GLU A 43 -0.861 17.804 -4.750 1.00 0.00 C ATOM 770 CG GLU A 43 -1.988 18.029 -5.743 1.00 0.00 C ATOM 771 CD GLU A 43 -2.393 19.487 -5.846 1.00 0.00 C ATOM 772 OE1 GLU A 43 -1.706 20.245 -6.561 1.00 0.00 O ATOM 773 OE2 GLU A 43 -3.398 19.869 -5.211 1.00 0.00 O ATOM 0 H GLU A 43 -1.798 15.606 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.592 17.951 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.196 18.667 -4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.274 16.943 -5.069 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.679 17.672 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.853 17.436 -5.446 1.00 0.00 H new ATOM 780 N ASP A 44 -3.764 17.694 -3.396 1.00 0.00 N ATOM 781 CA ASP A 44 -5.075 18.308 -3.217 1.00 0.00 C ATOM 782 C ASP A 44 -5.871 17.585 -2.136 1.00 0.00 C ATOM 783 O ASP A 44 -5.883 16.355 -2.076 1.00 0.00 O ATOM 784 CB ASP A 44 -5.851 18.296 -4.535 1.00 0.00 C ATOM 785 CG ASP A 44 -6.818 19.458 -4.648 1.00 0.00 C ATOM 786 OD1 ASP A 44 -6.376 20.616 -4.491 1.00 0.00 O ATOM 787 OD2 ASP A 44 -8.017 19.211 -4.894 1.00 0.00 O ATOM 0 H ASP A 44 -3.790 16.749 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.926 19.341 -2.902 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.148 18.330 -5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.402 17.359 -4.621 1.00 0.00 H new ATOM 792 N LYS A 45 -6.536 18.356 -1.282 1.00 0.00 N ATOM 793 CA LYS A 45 -7.335 17.790 -0.202 1.00 0.00 C ATOM 794 C LYS A 45 -8.542 17.039 -0.755 1.00 0.00 C ATOM 795 O LYS A 45 -8.674 15.829 -0.567 1.00 0.00 O ATOM 796 CB LYS A 45 -7.801 18.895 0.749 1.00 0.00 C ATOM 797 CG LYS A 45 -8.815 18.425 1.777 1.00 0.00 C ATOM 798 CD LYS A 45 -8.807 19.309 3.013 1.00 0.00 C ATOM 799 CE LYS A 45 -7.633 18.984 3.923 1.00 0.00 C ATOM 800 NZ LYS A 45 -7.768 19.632 5.257 1.00 0.00 N ATOM 0 H LYS A 45 -6.537 19.375 -1.317 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.711 17.086 0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.935 19.306 1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.237 19.705 0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.811 18.426 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.595 17.396 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.757 20.356 2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.740 19.179 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.560 17.904 4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.707 19.313 3.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.948 19.386 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.812 20.664 5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.639 19.299 5.718 1.00 0.00 H new ATOM 814 N THR A 46 -9.422 17.763 -1.440 1.00 0.00 N ATOM 815 CA THR A 46 -10.617 17.166 -2.021 1.00 0.00 C ATOM 816 C THR A 46 -10.309 15.804 -2.633 1.00 0.00 C ATOM 817 O THR A 46 -11.155 14.910 -2.638 1.00 0.00 O ATOM 818 CB THR A 46 -11.232 18.075 -3.102 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.426 19.394 -2.580 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.560 17.516 -3.589 1.00 0.00 C ATOM 0 H THR A 46 -9.329 18.765 -1.606 1.00 0.00 H new ATOM 0 HA THR A 46 -11.335 17.043 -1.210 1.00 0.00 H new ATOM 0 HB THR A 46 -10.543 18.116 -3.946 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.816 19.966 -3.274 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.975 18.175 -4.352 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.404 16.524 -4.013 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.255 17.448 -2.752 1.00 0.00 H new ATOM 828 N ALA A 47 -9.094 15.654 -3.150 1.00 0.00 N ATOM 829 CA ALA A 47 -8.674 14.400 -3.762 1.00 0.00 C ATOM 830 C ALA A 47 -8.624 13.276 -2.733 1.00 0.00 C ATOM 831 O ALA A 47 -9.123 12.177 -2.975 1.00 0.00 O ATOM 832 CB ALA A 47 -7.318 14.567 -4.431 1.00 0.00 C ATOM 0 H ALA A 47 -8.383 16.386 -3.157 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.410 14.130 -4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.017 13.622 -4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.385 15.334 -5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.579 14.864 -3.687 1.00 0.00 H new ATOM 838 N ALA A 48 -8.017 13.558 -1.584 1.00 0.00 N ATOM 839 CA ALA A 48 -7.903 12.571 -0.518 1.00 0.00 C ATOM 840 C ALA A 48 -9.220 11.830 -0.312 1.00 0.00 C ATOM 841 O ALA A 48 -9.247 10.602 -0.245 1.00 0.00 O ATOM 842 CB ALA A 48 -7.464 13.240 0.776 1.00 0.00 C ATOM 0 H ALA A 48 -7.597 14.462 -1.368 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.148 11.842 -0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.383 12.491 1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.495 13.717 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.199 13.992 1.064 1.00 0.00 H new ATOM 848 N GLU A 49 -10.309 12.586 -0.213 1.00 0.00 N ATOM 849 CA GLU A 49 -11.629 11.999 -0.013 1.00 0.00 C ATOM 850 C GLU A 49 -11.960 11.012 -1.129 1.00 0.00 C ATOM 851 O GLU A 49 -12.456 9.914 -0.874 1.00 0.00 O ATOM 852 CB GLU A 49 -12.695 13.095 0.047 1.00 0.00 C ATOM 853 CG GLU A 49 -12.815 13.754 1.410 1.00 0.00 C ATOM 854 CD GLU A 49 -11.743 14.799 1.649 1.00 0.00 C ATOM 855 OE1 GLU A 49 -11.774 15.847 0.972 1.00 0.00 O ATOM 856 OE2 GLU A 49 -10.873 14.568 2.515 1.00 0.00 O ATOM 0 H GLU A 49 -10.303 13.605 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.619 11.460 0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.462 13.857 -0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.660 12.667 -0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.797 14.219 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.752 12.990 2.185 1.00 0.00 H new ATOM 863 N ASP A 50 -11.684 11.411 -2.365 1.00 0.00 N ATOM 864 CA ASP A 50 -11.952 10.563 -3.520 1.00 0.00 C ATOM 865 C ASP A 50 -11.176 9.253 -3.424 1.00 0.00 C ATOM 866 O ASP A 50 -11.736 8.173 -3.611 1.00 0.00 O ATOM 867 CB ASP A 50 -11.584 11.294 -4.813 1.00 0.00 C ATOM 868 CG ASP A 50 -12.496 12.473 -5.090 1.00 0.00 C ATOM 869 OD1 ASP A 50 -13.724 12.328 -4.913 1.00 0.00 O ATOM 870 OD2 ASP A 50 -11.981 13.541 -5.483 1.00 0.00 O ATOM 0 H ASP A 50 -11.275 12.317 -2.593 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.018 10.334 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.553 11.643 -4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.633 10.596 -5.649 1.00 0.00 H new ATOM 875 N ALA A 51 -9.883 9.357 -3.132 1.00 0.00 N ATOM 876 CA ALA A 51 -9.031 8.181 -3.010 1.00 0.00 C ATOM 877 C ALA A 51 -9.446 7.323 -1.820 1.00 0.00 C ATOM 878 O ALA A 51 -9.902 6.191 -1.988 1.00 0.00 O ATOM 879 CB ALA A 51 -7.573 8.597 -2.879 1.00 0.00 C ATOM 0 H ALA A 51 -9.403 10.244 -2.976 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.148 7.583 -3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.948 7.709 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.275 9.162 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.450 9.219 -1.992 1.00 0.00 H new ATOM 885 N ILE A 52 -9.286 7.868 -0.618 1.00 0.00 N ATOM 886 CA ILE A 52 -9.645 7.151 0.599 1.00 0.00 C ATOM 887 C ILE A 52 -10.921 6.339 0.403 1.00 0.00 C ATOM 888 O ILE A 52 -10.905 5.111 0.483 1.00 0.00 O ATOM 889 CB ILE A 52 -9.842 8.116 1.783 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.552 8.893 2.055 1.00 0.00 C ATOM 891 CG2 ILE A 52 -10.277 7.351 3.024 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.745 10.087 2.964 1.00 0.00 C ATOM 0 H ILE A 52 -8.910 8.803 -0.462 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.819 6.477 0.823 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.626 8.828 1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.820 8.221 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.135 9.232 1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.412 8.047 3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.218 6.838 2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.513 6.619 3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.789 10.589 3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.453 10.780 2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -9.133 9.753 3.926 1.00 0.00 H new ATOM 904 N ARG A 53 -12.024 7.034 0.144 1.00 0.00 N ATOM 905 CA ARG A 53 -13.309 6.377 -0.065 1.00 0.00 C ATOM 906 C ARG A 53 -13.138 5.090 -0.867 1.00 0.00 C ATOM 907 O ARG A 53 -13.604 4.027 -0.459 1.00 0.00 O ATOM 908 CB ARG A 53 -14.275 7.317 -0.788 1.00 0.00 C ATOM 909 CG ARG A 53 -15.719 6.845 -0.761 1.00 0.00 C ATOM 910 CD ARG A 53 -16.589 7.659 -1.706 1.00 0.00 C ATOM 911 NE ARG A 53 -16.385 7.281 -3.101 1.00 0.00 N ATOM 912 CZ ARG A 53 -16.983 7.886 -4.122 1.00 0.00 C ATOM 913 NH1 ARG A 53 -17.817 8.894 -3.903 1.00 0.00 N ATOM 914 NH2 ARG A 53 -16.746 7.484 -5.364 1.00 0.00 N ATOM 0 H ARG A 53 -12.054 8.051 0.074 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.722 6.124 0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.216 8.305 -0.332 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -13.956 7.425 -1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.764 5.792 -1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.110 6.924 0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -17.638 7.521 -1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.366 8.719 -1.581 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.748 6.510 -3.303 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -18.000 9.206 -2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.275 9.357 -4.688 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.104 6.710 -5.536 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.205 7.949 -6.147 1.00 0.00 H new ATOM 928 N ASN A 54 -12.468 5.196 -2.009 1.00 0.00 N ATOM 929 CA ASN A 54 -12.236 4.041 -2.869 1.00 0.00 C ATOM 930 C ASN A 54 -11.136 3.151 -2.300 1.00 0.00 C ATOM 931 O ASN A 54 -11.404 2.061 -1.792 1.00 0.00 O ATOM 932 CB ASN A 54 -11.860 4.497 -4.281 1.00 0.00 C ATOM 933 CG ASN A 54 -13.077 4.766 -5.145 1.00 0.00 C ATOM 934 OD1 ASN A 54 -13.683 3.843 -5.688 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.440 6.037 -5.275 1.00 0.00 N ATOM 0 H ASN A 54 -12.076 6.069 -2.361 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.159 3.463 -2.915 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.255 5.402 -4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.243 3.733 -4.754 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.251 6.280 -5.844 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.908 6.770 -4.806 1.00 0.00 H new ATOM 942 N LEU A 55 -9.897 3.622 -2.388 1.00 0.00 N ATOM 943 CA LEU A 55 -8.754 2.869 -1.882 1.00 0.00 C ATOM 944 C LEU A 55 -9.115 2.130 -0.597 1.00 0.00 C ATOM 945 O LEU A 55 -9.039 0.903 -0.532 1.00 0.00 O ATOM 946 CB LEU A 55 -7.572 3.807 -1.628 1.00 0.00 C ATOM 947 CG LEU A 55 -6.755 4.204 -2.858 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.642 5.166 -2.472 1.00 0.00 C ATOM 949 CD2 LEU A 55 -6.183 2.969 -3.539 1.00 0.00 C ATOM 0 H LEU A 55 -9.658 4.522 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.472 2.134 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.949 4.715 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.904 3.331 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.416 4.710 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.071 5.437 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.074 6.064 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.982 4.687 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.605 3.270 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.537 2.436 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.998 2.315 -3.851 1.00 0.00 H new ATOM 961 N HIS A 56 -9.512 2.885 0.423 1.00 0.00 N ATOM 962 CA HIS A 56 -9.888 2.301 1.705 1.00 0.00 C ATOM 963 C HIS A 56 -10.590 0.961 1.507 1.00 0.00 C ATOM 964 O HIS A 56 -11.578 0.868 0.778 1.00 0.00 O ATOM 965 CB HIS A 56 -10.797 3.257 2.478 1.00 0.00 C ATOM 966 CG HIS A 56 -11.262 2.710 3.793 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.397 2.309 4.788 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.510 2.502 4.273 1.00 0.00 C ATOM 969 CE1 HIS A 56 -11.093 1.875 5.824 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.378 1.982 5.537 1.00 0.00 N ATOM 0 H HIS A 56 -9.581 3.902 0.386 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.978 2.132 2.280 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.264 4.192 2.651 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.666 3.494 1.865 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.437 2.707 3.758 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.681 1.497 6.748 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -13.147 1.721 6.154 1.00 0.00 H new ATOM 978 N HIS A 57 -10.073 -0.075 2.160 1.00 0.00 N ATOM 979 CA HIS A 57 -10.651 -1.411 2.054 1.00 0.00 C ATOM 980 C HIS A 57 -10.570 -1.926 0.621 1.00 0.00 C ATOM 981 O HIS A 57 -11.480 -2.603 0.142 1.00 0.00 O ATOM 982 CB HIS A 57 -12.106 -1.398 2.523 1.00 0.00 C ATOM 983 CG HIS A 57 -12.256 -1.450 4.012 1.00 0.00 C ATOM 984 ND1 HIS A 57 -13.401 -1.896 4.638 1.00 0.00 N ATOM 985 CD2 HIS A 57 -11.396 -1.111 5.001 1.00 0.00 C ATOM 986 CE1 HIS A 57 -13.240 -1.827 5.947 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.032 -1.354 6.194 1.00 0.00 N ATOM 0 H HIS A 57 -9.256 -0.016 2.768 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.077 -2.081 2.694 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.592 -0.497 2.148 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.628 -2.248 2.084 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.396 -0.722 4.875 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.972 -2.109 6.689 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -11.636 -1.195 7.120 1.00 0.00 H new ATOM 995 N TYR A 58 -9.476 -1.601 -0.059 1.00 0.00 N ATOM 996 CA TYR A 58 -9.278 -2.029 -1.439 1.00 0.00 C ATOM 997 C TYR A 58 -8.552 -3.370 -1.495 1.00 0.00 C ATOM 998 O TYR A 58 -7.818 -3.731 -0.574 1.00 0.00 O ATOM 999 CB TYR A 58 -8.485 -0.974 -2.213 1.00 0.00 C ATOM 1000 CG TYR A 58 -7.861 -1.500 -3.485 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -6.610 -2.104 -3.471 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -8.522 -1.392 -4.703 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -6.035 -2.585 -4.632 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -7.956 -1.871 -5.868 1.00 0.00 C ATOM 1005 CZ TYR A 58 -6.712 -2.466 -5.828 1.00 0.00 C ATOM 1006 OH TYR A 58 -6.144 -2.945 -6.986 1.00 0.00 O ATOM 0 H TYR A 58 -8.713 -1.043 0.323 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.258 -2.148 -1.900 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.146 -0.143 -2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.700 -0.577 -1.570 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.077 -2.199 -2.536 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.495 -0.925 -4.739 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.061 -3.051 -4.603 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.484 -1.780 -6.806 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.750 -2.784 -7.739 1.00 0.00 H new ATOM 1016 N LYS A 59 -8.761 -4.103 -2.583 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.127 -5.403 -2.763 1.00 0.00 C ATOM 1018 C LYS A 59 -6.779 -5.259 -3.462 1.00 0.00 C ATOM 1019 O LYS A 59 -6.714 -5.110 -4.683 1.00 0.00 O ATOM 1020 CB LYS A 59 -9.037 -6.330 -3.573 1.00 0.00 C ATOM 1021 CG LYS A 59 -8.642 -7.794 -3.492 1.00 0.00 C ATOM 1022 CD LYS A 59 -9.785 -8.704 -3.908 1.00 0.00 C ATOM 1023 CE LYS A 59 -9.279 -10.069 -4.349 1.00 0.00 C ATOM 1024 NZ LYS A 59 -10.353 -11.099 -4.308 1.00 0.00 N ATOM 0 H LYS A 59 -9.365 -3.818 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.961 -5.838 -1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.062 -6.219 -3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.024 -6.016 -4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.780 -7.975 -4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.337 -8.034 -2.473 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.478 -8.823 -3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.342 -8.241 -4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.882 -9.999 -5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.456 -10.377 -3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.968 -12.015 -4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.715 -11.184 -3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.127 -10.818 -4.943 1.00 0.00 H new ATOM 1038 N LEU A 60 -5.705 -5.305 -2.681 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.357 -5.181 -3.225 1.00 0.00 C ATOM 1040 C LEU A 60 -3.559 -6.461 -3.000 1.00 0.00 C ATOM 1041 O LEU A 60 -2.890 -6.616 -1.978 1.00 0.00 O ATOM 1042 CB LEU A 60 -3.634 -3.995 -2.584 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.342 -3.547 -3.268 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.649 -2.854 -4.587 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.546 -2.628 -2.354 1.00 0.00 C ATOM 0 H LEU A 60 -5.741 -5.427 -1.669 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.439 -5.011 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.320 -3.148 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.404 -4.251 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.739 -4.431 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.718 -2.542 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.177 -3.543 -5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.273 -1.979 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.630 -2.319 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.143 -1.748 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.294 -3.158 -1.435 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.632 -7.375 -3.962 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.914 -8.641 -3.870 1.00 0.00 C ATOM 1059 C HIS A 61 -3.563 -9.561 -2.841 1.00 0.00 C ATOM 1060 O HIS A 61 -2.877 -10.190 -2.036 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.450 -8.395 -3.501 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.818 -7.278 -4.272 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -0.817 -7.219 -5.649 1.00 0.00 N ATOM 1064 CD2 HIS A 61 -0.164 -6.170 -3.849 1.00 0.00 C ATOM 1065 CE1 HIS A 61 -0.189 -6.125 -6.041 1.00 0.00 C ATOM 1066 NE2 HIS A 61 0.217 -5.471 -4.968 1.00 0.00 N ATOM 0 H HIS A 61 -4.181 -7.263 -4.814 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.959 -9.127 -4.844 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.385 -8.173 -2.436 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.882 -9.310 -3.671 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.023 -5.889 -2.823 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.034 -5.818 -7.065 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.730 -4.590 -4.970 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.890 -9.632 -2.872 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.610 -10.476 -1.936 1.00 0.00 C ATOM 1076 C GLY A 62 -5.543 -9.954 -0.514 1.00 0.00 C ATOM 1077 O GLY A 62 -5.440 -10.730 0.436 1.00 0.00 O ATOM 0 H GLY A 62 -5.480 -9.120 -3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.653 -10.548 -2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.197 -11.484 -1.969 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.599 -8.634 -0.367 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.544 -8.009 0.949 1.00 0.00 C ATOM 1083 C VAL A 63 -6.514 -6.837 1.042 1.00 0.00 C ATOM 1084 O VAL A 63 -6.746 -6.130 0.061 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.123 -7.511 1.274 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.840 -6.198 0.560 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -3.943 -7.360 2.777 1.00 0.00 C ATOM 0 H VAL A 63 -5.682 -7.977 -1.143 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.829 -8.772 1.674 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.407 -8.251 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.832 -5.862 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.925 -6.344 -0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.560 -5.446 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.934 -7.007 2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.667 -6.640 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.100 -8.324 3.261 1.00 0.00 H new ATOM 1097 N ASN A 64 -7.080 -6.636 2.228 1.00 0.00 N ATOM 1098 CA ASN A 64 -8.026 -5.549 2.449 1.00 0.00 C ATOM 1099 C ASN A 64 -7.360 -4.389 3.184 1.00 0.00 C ATOM 1100 O ASN A 64 -7.638 -4.144 4.358 1.00 0.00 O ATOM 1101 CB ASN A 64 -9.231 -6.049 3.248 1.00 0.00 C ATOM 1102 CG ASN A 64 -10.063 -7.053 2.473 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -10.229 -8.197 2.897 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -10.589 -6.628 1.331 1.00 0.00 N ATOM 0 H ASN A 64 -6.900 -7.212 3.050 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.366 -5.193 1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.884 -6.507 4.175 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.856 -5.201 3.526 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.158 -7.258 0.766 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.425 -5.671 1.019 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.482 -3.679 2.484 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.778 -2.545 3.069 1.00 0.00 C ATOM 1113 C ILE A 65 -6.752 -1.575 3.729 1.00 0.00 C ATOM 1114 O ILE A 65 -7.899 -1.446 3.304 1.00 0.00 O ATOM 1115 CB ILE A 65 -4.954 -1.787 2.011 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -5.878 -1.174 0.956 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -3.943 -2.719 1.360 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.217 -0.095 0.127 1.00 0.00 C ATOM 0 H ILE A 65 -6.241 -3.869 1.511 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.102 -2.948 3.823 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.411 -0.981 2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.234 -1.963 0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.754 -0.755 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.368 -2.169 0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.268 -3.112 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.467 -3.544 0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.930 0.294 -0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.886 0.713 0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.358 -0.514 -0.397 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.285 -0.893 4.770 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.115 0.068 5.488 1.00 0.00 C ATOM 1132 C ASN A 66 -6.586 1.487 5.307 1.00 0.00 C ATOM 1133 O ASN A 66 -5.476 1.807 5.734 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.165 -0.284 6.977 1.00 0.00 C ATOM 1135 CG ASN A 66 -7.068 -1.777 7.222 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -6.357 -2.225 8.122 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -7.785 -2.556 6.420 1.00 0.00 N ATOM 0 H ASN A 66 -5.337 -0.988 5.135 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.123 0.020 5.075 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.349 0.220 7.494 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.094 0.092 7.405 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.760 -3.569 6.537 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.361 -2.141 5.687 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.387 2.335 4.670 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.001 3.721 4.434 1.00 0.00 C ATOM 1146 C VAL A 67 -7.878 4.680 5.231 1.00 0.00 C ATOM 1147 O VAL A 67 -9.104 4.587 5.199 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.093 4.082 2.939 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -6.620 5.508 2.704 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -6.287 3.099 2.103 1.00 0.00 C ATOM 0 H VAL A 67 -8.308 2.086 4.308 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.967 3.821 4.762 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.136 4.016 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.692 5.745 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.244 6.197 3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.584 5.606 3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.363 3.369 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.242 3.131 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.678 2.092 2.248 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.239 5.600 5.947 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.962 6.576 6.754 1.00 0.00 C ATOM 1162 C GLU A 68 -7.150 7.858 6.914 1.00 0.00 C ATOM 1163 O GLU A 68 -5.920 7.825 6.962 1.00 0.00 O ATOM 1164 CB GLU A 68 -8.288 5.992 8.130 1.00 0.00 C ATOM 1165 CG GLU A 68 -7.110 5.296 8.791 1.00 0.00 C ATOM 1166 CD GLU A 68 -7.439 4.783 10.180 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -7.276 5.553 11.149 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -7.859 3.613 10.297 1.00 0.00 O ATOM 0 H GLU A 68 -6.224 5.690 5.985 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.892 6.817 6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.638 6.793 8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.109 5.282 8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.789 4.462 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.271 5.990 8.853 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.847 8.987 6.994 1.00 0.00 N ATOM 1176 CA ALA A 69 -7.192 10.280 7.149 1.00 0.00 C ATOM 1177 C ALA A 69 -6.411 10.347 8.458 1.00 0.00 C ATOM 1178 O ALA A 69 -6.961 10.104 9.532 1.00 0.00 O ATOM 1179 CB ALA A 69 -8.218 11.402 7.086 1.00 0.00 C ATOM 0 H ALA A 69 -8.865 9.032 6.954 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.485 10.402 6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.715 12.362 7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.728 11.375 6.123 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.947 11.274 7.887 1.00 0.00 H new