USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -172:sc= -0.726 (180deg=-0.845) USER MOD Single : A 26 GLN : amide:sc= 1.35 K(o=1.4,f=-6.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 82:sc= 0.269 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -0.141 F(o=-0.74,f=-0.14) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 53 HIS : no HE2:sc= -0.448 X(o=-0.45,f=-0.14) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0146) USER MOD Single : A 65 ASN : amide:sc= 1.14 K(o=1.1,f=-0.35) USER MOD Single : A 67 ASN : amide:sc= 0.505 K(o=0.51,f=-1) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= 0.709 (180deg=0.641) USER MOD Single : A 71 ASN : amide:sc= 0.682 K(o=0.68,f=-3.3!) USER MOD Single : A 73 THR OG1 : rot 71:sc= 1.62 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ILE A 7 11.671 -5.359 -15.176 1.00 0.00 N ATOM 92 CA ILE A 7 11.763 -5.594 -13.727 1.00 0.00 C ATOM 93 C ILE A 7 13.182 -5.283 -13.221 1.00 0.00 C ATOM 94 O ILE A 7 14.170 -5.667 -13.852 1.00 0.00 O ATOM 95 CB ILE A 7 11.324 -7.040 -13.381 1.00 0.00 C ATOM 96 CG1 ILE A 7 9.940 -7.368 -13.998 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.316 -7.249 -11.856 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.369 -8.747 -13.652 1.00 0.00 C ATOM 0 HA ILE A 7 11.080 -4.918 -13.214 1.00 0.00 H new ATOM 0 HB ILE A 7 12.048 -7.729 -13.816 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.229 -6.609 -13.673 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.018 -7.289 -15.082 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.006 -8.269 -11.630 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.317 -7.078 -11.460 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.620 -6.548 -11.396 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.400 -8.871 -14.135 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.051 -9.522 -14.003 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.249 -8.831 -12.572 1.00 0.00 H new ATOM 110 N VAL A 8 13.287 -4.617 -12.066 1.00 0.00 N ATOM 111 CA VAL A 8 14.549 -4.243 -11.401 1.00 0.00 C ATOM 112 C VAL A 8 14.526 -4.606 -9.913 1.00 0.00 C ATOM 113 O VAL A 8 13.549 -4.341 -9.212 1.00 0.00 O ATOM 114 CB VAL A 8 14.871 -2.746 -11.598 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.287 -2.455 -13.044 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.735 -1.785 -11.218 1.00 0.00 C ATOM 0 H VAL A 8 12.466 -4.310 -11.545 1.00 0.00 H new ATOM 0 HA VAL A 8 15.345 -4.819 -11.873 1.00 0.00 H new ATOM 0 HB VAL A 8 15.693 -2.559 -10.907 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.508 -1.393 -13.152 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.175 -3.037 -13.291 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.475 -2.728 -13.718 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.055 -0.757 -11.390 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.858 -1.999 -11.828 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.485 -1.915 -10.165 1.00 0.00 H new ATOM 126 N LYS A 9 15.605 -5.214 -9.409 1.00 0.00 N ATOM 127 CA LYS A 9 15.784 -5.524 -7.981 1.00 0.00 C ATOM 128 C LYS A 9 16.222 -4.282 -7.201 1.00 0.00 C ATOM 129 O LYS A 9 17.014 -3.487 -7.707 1.00 0.00 O ATOM 130 CB LYS A 9 16.768 -6.696 -7.835 1.00 0.00 C ATOM 131 CG LYS A 9 16.758 -7.299 -6.421 1.00 0.00 C ATOM 132 CD LYS A 9 17.565 -8.603 -6.378 1.00 0.00 C ATOM 133 CE LYS A 9 17.434 -9.262 -5.000 1.00 0.00 C ATOM 134 NZ LYS A 9 18.144 -10.566 -4.952 1.00 0.00 N ATOM 0 H LYS A 9 16.391 -5.510 -9.987 1.00 0.00 H new ATOM 0 HA LYS A 9 14.832 -5.831 -7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.515 -7.471 -8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.775 -6.353 -8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.177 -6.584 -5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.731 -7.491 -6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.209 -9.285 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.614 -8.397 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.839 -8.597 -4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.380 -9.411 -4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.036 -10.986 -4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.740 -11.208 -5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.154 -10.419 -5.152 1.00 0.00 H new ATOM 148 N VAL A 10 15.737 -4.126 -5.972 1.00 0.00 N ATOM 149 CA VAL A 10 16.009 -2.986 -5.077 1.00 0.00 C ATOM 150 C VAL A 10 16.180 -3.442 -3.625 1.00 0.00 C ATOM 151 O VAL A 10 15.682 -4.501 -3.237 1.00 0.00 O ATOM 152 CB VAL A 10 14.905 -1.909 -5.172 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.804 -1.314 -6.582 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.521 -2.422 -4.752 1.00 0.00 C ATOM 0 H VAL A 10 15.117 -4.815 -5.547 1.00 0.00 H new ATOM 0 HA VAL A 10 16.947 -2.541 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 10 15.210 -1.134 -4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.016 -0.561 -6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.754 -0.852 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.570 -2.105 -7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.792 -1.617 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.229 -3.250 -5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.558 -2.764 -3.718 1.00 0.00 H new ATOM 164 N ALA A 11 16.863 -2.629 -2.816 1.00 0.00 N ATOM 165 CA ALA A 11 17.004 -2.819 -1.369 1.00 0.00 C ATOM 166 C ALA A 11 16.339 -1.655 -0.618 1.00 0.00 C ATOM 167 O ALA A 11 16.762 -0.508 -0.757 1.00 0.00 O ATOM 168 CB ALA A 11 18.494 -2.948 -1.026 1.00 0.00 C ATOM 0 H ALA A 11 17.346 -1.798 -3.157 1.00 0.00 H new ATOM 0 HA ALA A 11 16.500 -3.734 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.609 -3.090 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.916 -3.804 -1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.017 -2.042 -1.331 1.00 0.00 H new ATOM 174 N ILE A 12 15.287 -1.930 0.156 1.00 0.00 N ATOM 175 CA ILE A 12 14.466 -0.905 0.815 1.00 0.00 C ATOM 176 C ILE A 12 14.791 -0.843 2.309 1.00 0.00 C ATOM 177 O ILE A 12 14.702 -1.844 3.016 1.00 0.00 O ATOM 178 CB ILE A 12 12.962 -1.147 0.576 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.633 -1.306 -0.928 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.138 0.016 1.174 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.270 -1.953 -1.144 1.00 0.00 C ATOM 0 H ILE A 12 14.975 -2.882 0.347 1.00 0.00 H new ATOM 0 HA ILE A 12 14.708 0.061 0.372 1.00 0.00 H new ATOM 0 HB ILE A 12 12.696 -2.080 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.652 -0.328 -1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.403 -1.912 -1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.077 -0.163 1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.325 0.081 2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.431 0.952 0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.077 -2.047 -2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.260 -2.942 -0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.497 -1.334 -0.689 1.00 0.00 H new ATOM 193 N GLU A 13 15.143 0.338 2.801 1.00 0.00 N ATOM 194 CA GLU A 13 15.410 0.611 4.217 1.00 0.00 C ATOM 195 C GLU A 13 14.138 1.028 4.983 1.00 0.00 C ATOM 196 O GLU A 13 13.286 1.757 4.462 1.00 0.00 O ATOM 197 CB GLU A 13 16.493 1.694 4.358 1.00 0.00 C ATOM 198 CG GLU A 13 17.820 1.338 3.673 1.00 0.00 C ATOM 199 CD GLU A 13 18.965 2.292 4.077 1.00 0.00 C ATOM 200 OE1 GLU A 13 20.097 1.809 4.324 1.00 0.00 O ATOM 201 OE2 GLU A 13 18.754 3.529 4.143 1.00 0.00 O ATOM 0 H GLU A 13 15.256 1.162 2.211 1.00 0.00 H new ATOM 0 HA GLU A 13 15.767 -0.318 4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.117 2.627 3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.678 1.873 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 13 18.095 0.315 3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.688 1.371 2.592 1.00 0.00 H new ATOM 208 N TRP A 14 14.044 0.606 6.248 1.00 0.00 N ATOM 209 CA TRP A 14 13.004 0.989 7.214 1.00 0.00 C ATOM 210 C TRP A 14 13.549 0.865 8.659 1.00 0.00 C ATOM 211 O TRP A 14 14.345 -0.050 8.910 1.00 0.00 O ATOM 212 CB TRP A 14 11.765 0.105 7.006 1.00 0.00 C ATOM 213 CG TRP A 14 10.621 0.357 7.939 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.243 -0.455 8.950 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.724 1.509 8.000 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.177 0.105 9.628 1.00 0.00 N ATOM 217 CE2 TRP A 14 8.828 1.329 9.097 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.616 2.717 7.276 1.00 0.00 C ATOM 219 CZ2 TRP A 14 7.867 2.288 9.449 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.659 3.690 7.624 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.785 3.478 8.706 1.00 0.00 C ATOM 0 H TRP A 14 14.722 -0.043 6.647 1.00 0.00 H new ATOM 0 HA TRP A 14 12.717 2.029 7.055 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.412 0.241 5.984 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.066 -0.938 7.103 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.705 -1.401 9.192 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.707 -0.332 10.421 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.278 2.897 6.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.199 2.114 10.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.596 4.606 7.056 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.053 4.228 8.965 1.00 0.00 H new ATOM 232 N PRO A 15 13.183 1.742 9.621 1.00 0.00 N ATOM 233 CA PRO A 15 13.772 1.737 10.964 1.00 0.00 C ATOM 234 C PRO A 15 13.510 0.447 11.756 1.00 0.00 C ATOM 235 O PRO A 15 12.440 -0.161 11.663 1.00 0.00 O ATOM 236 CB PRO A 15 13.206 2.968 11.683 1.00 0.00 C ATOM 237 CG PRO A 15 12.842 3.904 10.533 1.00 0.00 C ATOM 238 CD PRO A 15 12.338 2.921 9.482 1.00 0.00 C ATOM 0 HA PRO A 15 14.858 1.776 10.885 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.335 2.716 12.289 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.940 3.417 12.352 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.077 4.625 10.819 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.702 4.474 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.289 2.674 9.645 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.414 3.343 8.480 1.00 0.00 H new ATOM 246 N GLY A 16 14.490 0.036 12.569 1.00 0.00 N ATOM 247 CA GLY A 16 14.407 -1.153 13.431 1.00 0.00 C ATOM 248 C GLY A 16 14.474 -2.506 12.701 1.00 0.00 C ATOM 249 O GLY A 16 14.199 -3.538 13.316 1.00 0.00 O ATOM 0 H GLY A 16 15.380 0.528 12.649 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.219 -1.111 14.157 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.474 -1.109 13.993 1.00 0.00 H new ATOM 253 N ALA A 17 14.828 -2.520 11.410 1.00 0.00 N ATOM 254 CA ALA A 17 14.894 -3.715 10.565 1.00 0.00 C ATOM 255 C ALA A 17 16.060 -3.666 9.558 1.00 0.00 C ATOM 256 O ALA A 17 16.541 -2.593 9.179 1.00 0.00 O ATOM 257 CB ALA A 17 13.545 -3.880 9.846 1.00 0.00 C ATOM 0 H ALA A 17 15.085 -1.669 10.909 1.00 0.00 H new ATOM 0 HA ALA A 17 15.088 -4.579 11.200 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.577 -4.766 9.212 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.750 -3.990 10.584 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.350 -3.001 9.232 1.00 0.00 H new ATOM 263 N TYR A 18 16.497 -4.842 9.098 1.00 0.00 N ATOM 264 CA TYR A 18 17.442 -4.982 7.983 1.00 0.00 C ATOM 265 C TYR A 18 16.790 -4.578 6.639 1.00 0.00 C ATOM 266 O TYR A 18 15.566 -4.705 6.502 1.00 0.00 O ATOM 267 CB TYR A 18 17.953 -6.430 7.923 1.00 0.00 C ATOM 268 CG TYR A 18 18.660 -6.897 9.184 1.00 0.00 C ATOM 269 CD1 TYR A 18 19.962 -6.441 9.467 1.00 0.00 C ATOM 270 CD2 TYR A 18 18.015 -7.780 10.075 1.00 0.00 C ATOM 271 CE1 TYR A 18 20.619 -6.864 10.640 1.00 0.00 C ATOM 272 CE2 TYR A 18 18.670 -8.205 11.248 1.00 0.00 C ATOM 273 CZ TYR A 18 19.975 -7.747 11.534 1.00 0.00 C ATOM 274 OH TYR A 18 20.618 -8.151 12.664 1.00 0.00 O ATOM 0 H TYR A 18 16.202 -5.735 9.493 1.00 0.00 H new ATOM 0 HA TYR A 18 18.283 -4.309 8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 18 17.110 -7.092 7.727 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.637 -6.527 7.080 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.458 -5.766 8.784 1.00 0.00 H new ATOM 0 HD2 TYR A 18 17.017 -8.131 9.858 1.00 0.00 H new ATOM 0 HE1 TYR A 18 21.617 -6.512 10.855 1.00 0.00 H new ATOM 0 HE2 TYR A 18 18.174 -8.881 11.929 1.00 0.00 H new ATOM 0 HH TYR A 18 20.038 -8.756 13.172 1.00 0.00 H new ATOM 284 N PRO A 19 17.563 -4.129 5.627 1.00 0.00 N ATOM 285 CA PRO A 19 17.012 -3.748 4.325 1.00 0.00 C ATOM 286 C PRO A 19 16.277 -4.903 3.625 1.00 0.00 C ATOM 287 O PRO A 19 16.818 -6.002 3.473 1.00 0.00 O ATOM 288 CB PRO A 19 18.193 -3.231 3.492 1.00 0.00 C ATOM 289 CG PRO A 19 19.197 -2.784 4.554 1.00 0.00 C ATOM 290 CD PRO A 19 18.981 -3.799 5.675 1.00 0.00 C ATOM 0 HA PRO A 19 16.250 -2.978 4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.605 -4.010 2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.898 -2.406 2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.220 -2.808 4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.004 -1.765 4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.597 -4.686 5.526 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.255 -3.380 6.643 1.00 0.00 H new ATOM 298 N LYS A 20 15.041 -4.650 3.180 1.00 0.00 N ATOM 299 CA LYS A 20 14.202 -5.603 2.441 1.00 0.00 C ATOM 300 C LYS A 20 14.598 -5.627 0.965 1.00 0.00 C ATOM 301 O LYS A 20 14.379 -4.653 0.245 1.00 0.00 O ATOM 302 CB LYS A 20 12.720 -5.237 2.655 1.00 0.00 C ATOM 303 CG LYS A 20 11.755 -6.119 1.848 1.00 0.00 C ATOM 304 CD LYS A 20 10.292 -5.864 2.251 1.00 0.00 C ATOM 305 CE LYS A 20 9.288 -6.604 1.351 1.00 0.00 C ATOM 306 NZ LYS A 20 9.429 -8.085 1.420 1.00 0.00 N ATOM 0 H LYS A 20 14.583 -3.751 3.328 1.00 0.00 H new ATOM 0 HA LYS A 20 14.355 -6.615 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.481 -5.324 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.567 -4.194 2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.881 -5.920 0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.000 -7.169 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.145 -6.176 3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.090 -4.794 2.210 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.275 -6.327 1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.424 -6.279 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.728 -8.530 0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.386 -8.357 1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.272 -8.404 2.397 1.00 0.00 H new ATOM 320 N LEU A 21 15.166 -6.743 0.509 1.00 0.00 N ATOM 321 CA LEU A 21 15.396 -7.009 -0.912 1.00 0.00 C ATOM 322 C LEU A 21 14.073 -7.415 -1.582 1.00 0.00 C ATOM 323 O LEU A 21 13.392 -8.328 -1.107 1.00 0.00 O ATOM 324 CB LEU A 21 16.469 -8.102 -1.077 1.00 0.00 C ATOM 325 CG LEU A 21 17.885 -7.656 -0.667 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.804 -8.871 -0.538 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.502 -6.708 -1.698 1.00 0.00 C ATOM 0 H LEU A 21 15.483 -7.495 1.121 1.00 0.00 H new ATOM 0 HA LEU A 21 15.762 -6.106 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.185 -8.969 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.488 -8.424 -2.118 1.00 0.00 H new ATOM 0 HG LEU A 21 17.790 -7.138 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.802 -8.543 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.409 -9.547 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.857 -9.391 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.500 -6.416 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.568 -7.212 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.878 -5.820 -1.795 1.00 0.00 H new ATOM 339 N MET A 22 13.709 -6.747 -2.678 1.00 0.00 N ATOM 340 CA MET A 22 12.501 -7.045 -3.465 1.00 0.00 C ATOM 341 C MET A 22 12.660 -6.607 -4.932 1.00 0.00 C ATOM 342 O MET A 22 13.640 -5.952 -5.284 1.00 0.00 O ATOM 343 CB MET A 22 11.265 -6.424 -2.780 1.00 0.00 C ATOM 344 CG MET A 22 11.101 -4.906 -2.951 1.00 0.00 C ATOM 345 SD MET A 22 10.289 -4.332 -4.464 1.00 0.00 S ATOM 346 CE MET A 22 8.623 -5.023 -4.269 1.00 0.00 C ATOM 0 H MET A 22 14.252 -5.969 -3.054 1.00 0.00 H new ATOM 0 HA MET A 22 12.352 -8.124 -3.496 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.372 -6.913 -3.169 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.312 -6.648 -1.714 1.00 0.00 H new ATOM 0 HG2 MET A 22 10.536 -4.528 -2.099 1.00 0.00 H new ATOM 0 HG3 MET A 22 12.090 -4.451 -2.904 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.057 -4.872 -5.188 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.694 -6.090 -4.058 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.116 -4.523 -3.444 1.00 0.00 H new ATOM 356 N GLU A 23 11.711 -6.969 -5.801 1.00 0.00 N ATOM 357 CA GLU A 23 11.723 -6.604 -7.219 1.00 0.00 C ATOM 358 C GLU A 23 10.562 -5.679 -7.605 1.00 0.00 C ATOM 359 O GLU A 23 9.386 -6.006 -7.424 1.00 0.00 O ATOM 360 CB GLU A 23 11.731 -7.855 -8.101 1.00 0.00 C ATOM 361 CG GLU A 23 13.020 -8.677 -7.966 1.00 0.00 C ATOM 362 CD GLU A 23 13.013 -9.685 -6.793 1.00 0.00 C ATOM 363 OE1 GLU A 23 14.068 -9.852 -6.136 1.00 0.00 O ATOM 364 OE2 GLU A 23 11.976 -10.347 -6.541 1.00 0.00 O ATOM 0 H GLU A 23 10.903 -7.531 -5.535 1.00 0.00 H new ATOM 0 HA GLU A 23 12.642 -6.043 -7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.878 -8.482 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.603 -7.559 -9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.189 -9.221 -8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.860 -7.995 -7.838 1.00 0.00 H new ATOM 371 N ILE A 24 10.914 -4.531 -8.186 1.00 0.00 N ATOM 372 CA ILE A 24 9.993 -3.536 -8.741 1.00 0.00 C ATOM 373 C ILE A 24 9.773 -3.851 -10.223 1.00 0.00 C ATOM 374 O ILE A 24 10.677 -3.706 -11.047 1.00 0.00 O ATOM 375 CB ILE A 24 10.534 -2.104 -8.488 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.399 -1.789 -6.977 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.816 -1.036 -9.344 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.857 -0.390 -6.557 1.00 0.00 C ATOM 0 H ILE A 24 11.891 -4.257 -8.287 1.00 0.00 H new ATOM 0 HA ILE A 24 9.023 -3.580 -8.245 1.00 0.00 H new ATOM 0 HB ILE A 24 11.581 -2.071 -8.788 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.355 -1.913 -6.689 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.975 -2.525 -6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.235 -0.053 -9.126 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.955 -1.263 -10.401 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.752 -1.037 -9.109 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.722 -0.270 -5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.910 -0.262 -6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.266 0.360 -7.083 1.00 0.00 H new ATOM 390 N ASP A 25 8.563 -4.291 -10.564 1.00 0.00 N ATOM 391 CA ASP A 25 8.106 -4.425 -11.948 1.00 0.00 C ATOM 392 C ASP A 25 7.548 -3.082 -12.428 1.00 0.00 C ATOM 393 O ASP A 25 6.551 -2.590 -11.893 1.00 0.00 O ATOM 394 CB ASP A 25 7.066 -5.554 -12.033 1.00 0.00 C ATOM 395 CG ASP A 25 6.516 -5.815 -13.447 1.00 0.00 C ATOM 396 OD1 ASP A 25 5.757 -6.798 -13.610 1.00 0.00 O ATOM 397 OD2 ASP A 25 6.834 -5.049 -14.385 1.00 0.00 O ATOM 0 H ASP A 25 7.862 -4.569 -9.877 1.00 0.00 H new ATOM 0 HA ASP A 25 8.935 -4.691 -12.604 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.516 -6.473 -11.657 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.233 -5.313 -11.372 1.00 0.00 H new ATOM 402 N GLN A 26 8.169 -2.481 -13.444 1.00 0.00 N ATOM 403 CA GLN A 26 7.756 -1.174 -13.965 1.00 0.00 C ATOM 404 C GLN A 26 6.374 -1.195 -14.654 1.00 0.00 C ATOM 405 O GLN A 26 5.789 -0.130 -14.868 1.00 0.00 O ATOM 406 CB GLN A 26 8.851 -0.582 -14.872 1.00 0.00 C ATOM 407 CG GLN A 26 10.219 -0.377 -14.184 1.00 0.00 C ATOM 408 CD GLN A 26 10.288 0.785 -13.188 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.311 1.221 -12.590 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.461 1.338 -12.968 1.00 0.00 N ATOM 0 H GLN A 26 8.971 -2.884 -13.929 1.00 0.00 H new ATOM 0 HA GLN A 26 7.632 -0.516 -13.105 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.987 -1.239 -15.731 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.506 0.378 -15.256 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.485 -1.296 -13.662 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.973 -0.218 -14.954 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.288 0.991 -13.455 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.544 2.114 -12.311 1.00 0.00 H new ATOM 419 N LYS A 27 5.814 -2.378 -14.961 1.00 0.00 N ATOM 420 CA LYS A 27 4.437 -2.548 -15.472 1.00 0.00 C ATOM 421 C LYS A 27 3.373 -2.596 -14.361 1.00 0.00 C ATOM 422 O LYS A 27 2.208 -2.300 -14.633 1.00 0.00 O ATOM 423 CB LYS A 27 4.341 -3.814 -16.351 1.00 0.00 C ATOM 424 CG LYS A 27 5.437 -3.978 -17.423 1.00 0.00 C ATOM 425 CD LYS A 27 5.564 -2.793 -18.391 1.00 0.00 C ATOM 426 CE LYS A 27 6.783 -3.032 -19.287 1.00 0.00 C ATOM 427 NZ LYS A 27 7.138 -1.834 -20.090 1.00 0.00 N ATOM 0 H LYS A 27 6.313 -3.262 -14.860 1.00 0.00 H new ATOM 0 HA LYS A 27 4.223 -1.663 -16.071 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.365 -4.687 -15.699 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.371 -3.814 -16.849 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.395 -4.128 -16.925 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.232 -4.881 -17.999 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.662 -2.698 -18.995 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.677 -1.861 -17.837 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.634 -3.317 -18.669 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.580 -3.868 -19.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.968 -2.045 -20.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.337 -1.575 -20.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.358 -1.042 -19.453 1.00 0.00 H new ATOM 441 N LYS A 28 3.743 -2.954 -13.121 1.00 0.00 N ATOM 442 CA LYS A 28 2.836 -2.990 -11.951 1.00 0.00 C ATOM 443 C LYS A 28 2.617 -1.593 -11.352 1.00 0.00 C ATOM 444 O LYS A 28 3.541 -0.774 -11.380 1.00 0.00 O ATOM 445 CB LYS A 28 3.366 -3.965 -10.880 1.00 0.00 C ATOM 446 CG LYS A 28 3.099 -5.425 -11.277 1.00 0.00 C ATOM 447 CD LYS A 28 3.567 -6.438 -10.220 1.00 0.00 C ATOM 448 CE LYS A 28 2.720 -6.381 -8.940 1.00 0.00 C ATOM 449 NZ LYS A 28 3.107 -7.452 -7.984 1.00 0.00 N ATOM 0 H LYS A 28 4.698 -3.233 -12.894 1.00 0.00 H new ATOM 0 HA LYS A 28 1.868 -3.349 -12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.437 -3.812 -10.743 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.889 -3.753 -9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.031 -5.558 -11.450 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.603 -5.636 -12.220 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.521 -7.443 -10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.610 -6.244 -9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.840 -5.407 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.665 -6.483 -9.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.516 -7.386 -7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.969 -8.382 -8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.107 -7.339 -7.722 1.00 0.00 H new ATOM 463 N PRO A 29 1.433 -1.302 -10.779 1.00 0.00 N ATOM 464 CA PRO A 29 1.174 -0.035 -10.100 1.00 0.00 C ATOM 465 C PRO A 29 1.987 0.072 -8.807 1.00 0.00 C ATOM 466 O PRO A 29 2.110 -0.893 -8.047 1.00 0.00 O ATOM 467 CB PRO A 29 -0.334 -0.012 -9.825 1.00 0.00 C ATOM 468 CG PRO A 29 -0.709 -1.489 -9.742 1.00 0.00 C ATOM 469 CD PRO A 29 0.281 -2.186 -10.669 1.00 0.00 C ATOM 0 HA PRO A 29 1.474 0.818 -10.709 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.564 0.512 -8.897 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.879 0.495 -10.621 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.628 -1.863 -8.721 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.738 -1.656 -10.062 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.573 -3.156 -10.267 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.164 -2.367 -11.647 1.00 0.00 H new ATOM 477 N LEU A 30 2.497 1.272 -8.521 1.00 0.00 N ATOM 478 CA LEU A 30 3.259 1.545 -7.299 1.00 0.00 C ATOM 479 C LEU A 30 2.429 1.289 -6.035 1.00 0.00 C ATOM 480 O LEU A 30 2.981 0.826 -5.045 1.00 0.00 O ATOM 481 CB LEU A 30 3.781 2.993 -7.331 1.00 0.00 C ATOM 482 CG LEU A 30 4.913 3.215 -8.350 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.060 4.706 -8.629 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.251 2.671 -7.844 1.00 0.00 C ATOM 0 H LEU A 30 2.393 2.083 -9.131 1.00 0.00 H new ATOM 0 HA LEU A 30 4.104 0.857 -7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.955 3.664 -7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.139 3.264 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 30 4.648 2.677 -9.260 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.862 4.864 -9.351 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.125 5.094 -9.034 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.298 5.228 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.023 2.848 -8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.522 3.177 -6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.162 1.600 -7.661 1.00 0.00 H new ATOM 496 N SER A 31 1.109 1.494 -6.069 1.00 0.00 N ATOM 497 CA SER A 31 0.208 1.188 -4.946 1.00 0.00 C ATOM 498 C SER A 31 0.234 -0.296 -4.549 1.00 0.00 C ATOM 499 O SER A 31 0.312 -0.612 -3.360 1.00 0.00 O ATOM 500 CB SER A 31 -1.229 1.594 -5.300 1.00 0.00 C ATOM 501 OG SER A 31 -1.278 2.957 -5.696 1.00 0.00 O ATOM 0 H SER A 31 0.629 1.880 -6.882 1.00 0.00 H new ATOM 0 HA SER A 31 0.565 1.762 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.604 0.962 -6.105 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.880 1.435 -4.440 1.00 0.00 H new ATOM 0 HG SER A 31 -2.201 3.200 -5.920 1.00 0.00 H new ATOM 507 N ALA A 32 0.235 -1.215 -5.527 1.00 0.00 N ATOM 508 CA ALA A 32 0.350 -2.655 -5.270 1.00 0.00 C ATOM 509 C ALA A 32 1.748 -3.038 -4.748 1.00 0.00 C ATOM 510 O ALA A 32 1.873 -3.847 -3.828 1.00 0.00 O ATOM 511 CB ALA A 32 0.011 -3.422 -6.556 1.00 0.00 C ATOM 0 H ALA A 32 0.156 -0.979 -6.516 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.357 -2.926 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.094 -4.493 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.007 -3.184 -6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.705 -3.134 -7.345 1.00 0.00 H new ATOM 517 N ILE A 33 2.800 -2.420 -5.293 1.00 0.00 N ATOM 518 CA ILE A 33 4.186 -2.614 -4.838 1.00 0.00 C ATOM 519 C ILE A 33 4.351 -2.126 -3.392 1.00 0.00 C ATOM 520 O ILE A 33 4.859 -2.860 -2.551 1.00 0.00 O ATOM 521 CB ILE A 33 5.163 -1.909 -5.808 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.100 -2.575 -7.204 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.599 -1.924 -5.255 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.853 -1.818 -8.303 1.00 0.00 C ATOM 0 H ILE A 33 2.716 -1.764 -6.070 1.00 0.00 H new ATOM 0 HA ILE A 33 4.424 -3.678 -4.845 1.00 0.00 H new ATOM 0 HB ILE A 33 4.860 -0.867 -5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.507 -3.583 -7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.055 -2.674 -7.499 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.265 -1.422 -5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.625 -1.406 -4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.926 -2.955 -5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.756 -2.355 -9.247 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.432 -0.818 -8.410 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.907 -1.742 -8.036 1.00 0.00 H new ATOM 536 N ILE A 34 3.873 -0.924 -3.065 1.00 0.00 N ATOM 537 CA ILE A 34 3.954 -0.345 -1.718 1.00 0.00 C ATOM 538 C ILE A 34 3.169 -1.199 -0.710 1.00 0.00 C ATOM 539 O ILE A 34 3.655 -1.398 0.403 1.00 0.00 O ATOM 540 CB ILE A 34 3.514 1.139 -1.754 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.562 1.987 -2.518 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.333 1.721 -0.342 1.00 0.00 C ATOM 543 CD1 ILE A 34 4.012 3.323 -3.034 1.00 0.00 C ATOM 0 H ILE A 34 3.410 -0.313 -3.738 1.00 0.00 H new ATOM 0 HA ILE A 34 4.988 -0.355 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 34 2.552 1.176 -2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.409 2.182 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.940 1.409 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.024 2.764 -0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.570 1.153 0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.276 1.659 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.800 3.863 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.184 3.136 -3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.660 3.921 -2.193 1.00 0.00 H new ATOM 555 N LYS A 35 2.030 -1.797 -1.098 1.00 0.00 N ATOM 556 CA LYS A 35 1.320 -2.795 -0.275 1.00 0.00 C ATOM 557 C LYS A 35 2.186 -4.025 0.023 1.00 0.00 C ATOM 558 O LYS A 35 2.251 -4.457 1.172 1.00 0.00 O ATOM 559 CB LYS A 35 -0.007 -3.183 -0.954 1.00 0.00 C ATOM 560 CG LYS A 35 -0.945 -3.963 -0.019 1.00 0.00 C ATOM 561 CD LYS A 35 -2.252 -4.311 -0.745 1.00 0.00 C ATOM 562 CE LYS A 35 -3.251 -4.979 0.208 1.00 0.00 C ATOM 563 NZ LYS A 35 -4.480 -5.400 -0.515 1.00 0.00 N ATOM 0 H LYS A 35 1.575 -1.603 -1.990 1.00 0.00 H new ATOM 0 HA LYS A 35 1.099 -2.341 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.512 -2.280 -1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.204 -3.787 -1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.455 -4.876 0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.161 -3.369 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.692 -3.405 -1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.041 -4.977 -1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.786 -5.846 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.515 -4.287 1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.139 -5.849 0.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.934 -4.567 -0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.228 -6.079 -1.262 1.00 0.00 H new ATOM 577 N GLU A 36 2.899 -4.556 -0.971 1.00 0.00 N ATOM 578 CA GLU A 36 3.810 -5.695 -0.821 1.00 0.00 C ATOM 579 C GLU A 36 5.049 -5.365 0.038 1.00 0.00 C ATOM 580 O GLU A 36 5.512 -6.210 0.806 1.00 0.00 O ATOM 581 CB GLU A 36 4.211 -6.164 -2.232 1.00 0.00 C ATOM 582 CG GLU A 36 3.130 -7.005 -2.932 1.00 0.00 C ATOM 583 CD GLU A 36 2.822 -8.341 -2.223 1.00 0.00 C ATOM 584 OE1 GLU A 36 1.638 -8.757 -2.213 1.00 0.00 O ATOM 585 OE2 GLU A 36 3.753 -8.998 -1.699 1.00 0.00 O ATOM 0 H GLU A 36 2.859 -4.199 -1.926 1.00 0.00 H new ATOM 0 HA GLU A 36 3.296 -6.493 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.435 -5.291 -2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.128 -6.750 -2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.213 -6.419 -2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.449 -7.212 -3.954 1.00 0.00 H new ATOM 592 N VAL A 37 5.559 -4.128 -0.027 1.00 0.00 N ATOM 593 CA VAL A 37 6.632 -3.632 0.857 1.00 0.00 C ATOM 594 C VAL A 37 6.142 -3.504 2.300 1.00 0.00 C ATOM 595 O VAL A 37 6.750 -4.064 3.212 1.00 0.00 O ATOM 596 CB VAL A 37 7.191 -2.283 0.366 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.254 -1.719 1.314 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.840 -2.436 -1.008 1.00 0.00 C ATOM 0 H VAL A 37 5.237 -3.433 -0.701 1.00 0.00 H new ATOM 0 HA VAL A 37 7.438 -4.366 0.826 1.00 0.00 H new ATOM 0 HB VAL A 37 6.342 -1.601 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.619 -0.768 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.817 -1.566 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.084 -2.422 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.228 -1.472 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.657 -3.154 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.098 -2.791 -1.723 1.00 0.00 H new ATOM 608 N CYS A 38 5.031 -2.791 2.503 1.00 0.00 N ATOM 609 CA CYS A 38 4.451 -2.541 3.829 1.00 0.00 C ATOM 610 C CYS A 38 4.073 -3.846 4.550 1.00 0.00 C ATOM 611 O CYS A 38 4.395 -4.005 5.727 1.00 0.00 O ATOM 612 CB CYS A 38 3.237 -1.605 3.709 1.00 0.00 C ATOM 613 SG CYS A 38 3.758 0.052 3.183 1.00 0.00 S ATOM 0 H CYS A 38 4.501 -2.365 1.743 1.00 0.00 H new ATOM 0 HA CYS A 38 5.212 -2.054 4.438 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.526 -2.013 2.991 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.722 -1.543 4.668 1.00 0.00 H new ATOM 0 HG CYS A 38 3.906 0.071 1.892 1.00 0.00 H new ATOM 619 N ASP A 39 3.473 -4.814 3.849 1.00 0.00 N ATOM 620 CA ASP A 39 3.159 -6.141 4.397 1.00 0.00 C ATOM 621 C ASP A 39 4.415 -6.922 4.842 1.00 0.00 C ATOM 622 O ASP A 39 4.357 -7.703 5.793 1.00 0.00 O ATOM 623 CB ASP A 39 2.373 -6.939 3.347 1.00 0.00 C ATOM 624 CG ASP A 39 1.848 -8.280 3.889 1.00 0.00 C ATOM 625 OD1 ASP A 39 2.033 -9.320 3.211 1.00 0.00 O ATOM 626 OD2 ASP A 39 1.209 -8.297 4.969 1.00 0.00 O ATOM 0 H ASP A 39 3.188 -4.699 2.876 1.00 0.00 H new ATOM 0 HA ASP A 39 2.558 -5.998 5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.533 -6.340 2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.013 -7.126 2.485 1.00 0.00 H new ATOM 631 N GLY A 40 5.574 -6.660 4.223 1.00 0.00 N ATOM 632 CA GLY A 40 6.875 -7.207 4.629 1.00 0.00 C ATOM 633 C GLY A 40 7.331 -6.778 6.033 1.00 0.00 C ATOM 634 O GLY A 40 8.090 -7.505 6.678 1.00 0.00 O ATOM 0 H GLY A 40 5.634 -6.049 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.826 -8.295 4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.628 -6.897 3.905 1.00 0.00 H new ATOM 638 N TRP A 41 6.824 -5.645 6.534 1.00 0.00 N ATOM 639 CA TRP A 41 6.991 -5.158 7.910 1.00 0.00 C ATOM 640 C TRP A 41 5.663 -5.100 8.700 1.00 0.00 C ATOM 641 O TRP A 41 5.583 -4.444 9.741 1.00 0.00 O ATOM 642 CB TRP A 41 7.740 -3.816 7.871 1.00 0.00 C ATOM 643 CG TRP A 41 9.160 -3.891 7.389 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.142 -4.627 7.960 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.783 -3.217 6.251 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.317 -4.466 7.255 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.160 -3.593 6.202 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.331 -2.319 5.260 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.044 -3.100 5.234 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.213 -1.811 4.285 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.562 -2.200 4.270 1.00 0.00 C ATOM 0 H TRP A 41 6.260 -5.013 5.965 1.00 0.00 H new ATOM 0 HA TRP A 41 7.592 -5.875 8.469 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.190 -3.130 7.227 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.735 -3.386 8.873 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.024 -5.247 8.836 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.193 -4.935 7.485 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.294 -2.017 5.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.079 -3.407 5.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.848 -1.116 3.543 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.229 -1.807 3.517 1.00 0.00 H new ATOM 662 N SER A 42 4.616 -5.785 8.219 1.00 0.00 N ATOM 663 CA SER A 42 3.260 -5.828 8.807 1.00 0.00 C ATOM 664 C SER A 42 2.592 -4.449 8.991 1.00 0.00 C ATOM 665 O SER A 42 1.727 -4.273 9.854 1.00 0.00 O ATOM 666 CB SER A 42 3.241 -6.657 10.104 1.00 0.00 C ATOM 667 OG SER A 42 3.780 -7.956 9.893 1.00 0.00 O ATOM 0 H SER A 42 4.689 -6.350 7.373 1.00 0.00 H new ATOM 0 HA SER A 42 2.640 -6.333 8.066 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.815 -6.143 10.875 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.218 -6.740 10.470 1.00 0.00 H new ATOM 0 HG SER A 42 3.757 -8.460 10.733 1.00 0.00 H new ATOM 673 N LEU A 43 2.991 -3.451 8.195 1.00 0.00 N ATOM 674 CA LEU A 43 2.496 -2.073 8.254 1.00 0.00 C ATOM 675 C LEU A 43 1.085 -1.949 7.654 1.00 0.00 C ATOM 676 O LEU A 43 0.861 -2.273 6.484 1.00 0.00 O ATOM 677 CB LEU A 43 3.496 -1.145 7.534 1.00 0.00 C ATOM 678 CG LEU A 43 4.825 -0.946 8.286 1.00 0.00 C ATOM 679 CD1 LEU A 43 5.846 -0.294 7.360 1.00 0.00 C ATOM 680 CD2 LEU A 43 4.666 -0.060 9.525 1.00 0.00 C ATOM 0 H LEU A 43 3.692 -3.586 7.467 1.00 0.00 H new ATOM 0 HA LEU A 43 2.416 -1.772 9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.708 -1.554 6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.028 -0.172 7.382 1.00 0.00 H new ATOM 0 HG LEU A 43 5.159 -1.932 8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.785 -0.154 7.895 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.013 -0.935 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.470 0.674 7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.631 0.050 10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.298 0.921 9.226 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.956 -0.520 10.212 1.00 0.00 H new ATOM 692 N ALA A 44 0.142 -1.447 8.455 1.00 0.00 N ATOM 693 CA ALA A 44 -1.207 -1.086 8.023 1.00 0.00 C ATOM 694 C ALA A 44 -1.228 0.232 7.218 1.00 0.00 C ATOM 695 O ALA A 44 -0.290 1.033 7.283 1.00 0.00 O ATOM 696 CB ALA A 44 -2.104 -1.002 9.267 1.00 0.00 C ATOM 0 H ALA A 44 0.302 -1.277 9.448 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.584 -1.852 7.346 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.117 -0.733 8.968 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.119 -1.968 9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.714 -0.244 9.947 1.00 0.00 H new ATOM 702 N ASN A 45 -2.327 0.472 6.494 1.00 0.00 N ATOM 703 CA ASN A 45 -2.581 1.688 5.706 1.00 0.00 C ATOM 704 C ASN A 45 -1.441 2.022 4.719 1.00 0.00 C ATOM 705 O ASN A 45 -0.923 3.139 4.698 1.00 0.00 O ATOM 706 CB ASN A 45 -2.964 2.863 6.633 1.00 0.00 C ATOM 707 CG ASN A 45 -4.132 2.555 7.554 1.00 0.00 C ATOM 708 OD1 ASN A 45 -5.164 2.037 7.145 1.00 0.00 O ATOM 709 ND2 ASN A 45 -4.012 2.847 8.830 1.00 0.00 N ATOM 0 H ASN A 45 -3.093 -0.199 6.437 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.439 1.493 5.063 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.098 3.136 7.237 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.213 3.731 6.022 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.776 2.642 9.474 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.155 3.278 9.176 1.00 0.00 H new ATOM 716 N HIS A 46 -1.050 1.057 3.878 1.00 0.00 N ATOM 717 CA HIS A 46 0.014 1.218 2.872 1.00 0.00 C ATOM 718 C HIS A 46 -0.265 2.370 1.886 1.00 0.00 C ATOM 719 O HIS A 46 0.659 2.959 1.338 1.00 0.00 O ATOM 720 CB HIS A 46 0.160 -0.099 2.100 1.00 0.00 C ATOM 721 CG HIS A 46 -1.003 -0.347 1.175 1.00 0.00 C ATOM 722 ND1 HIS A 46 -1.046 0.035 -0.133 1.00 0.00 N flip ATOM 723 CD2 HIS A 46 -2.264 -0.807 1.556 1.00 0.00 C flip ATOM 724 CE1 HIS A 46 -2.324 -0.221 -0.575 1.00 0.00 C flip ATOM 725 NE2 HIS A 46 -3.028 -0.722 0.454 1.00 0.00 N flip ATOM 0 H HIS A 46 -1.469 0.127 3.875 1.00 0.00 H new ATOM 0 HA HIS A 46 0.936 1.470 3.397 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.084 -0.079 1.522 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.243 -0.925 2.806 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.563 -1.158 2.533 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.696 -0.049 -1.574 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -4.008 -1.000 0.405 1.00 0.00 H new ATOM 733 N GLU A 47 -1.535 2.734 1.691 1.00 0.00 N ATOM 734 CA GLU A 47 -1.975 3.891 0.900 1.00 0.00 C ATOM 735 C GLU A 47 -1.512 5.253 1.469 1.00 0.00 C ATOM 736 O GLU A 47 -1.589 6.268 0.773 1.00 0.00 O ATOM 737 CB GLU A 47 -3.498 3.825 0.713 1.00 0.00 C ATOM 738 CG GLU A 47 -4.254 3.768 2.044 1.00 0.00 C ATOM 739 CD GLU A 47 -5.755 4.034 1.854 1.00 0.00 C ATOM 740 OE1 GLU A 47 -6.390 3.344 1.021 1.00 0.00 O ATOM 741 OE2 GLU A 47 -6.319 4.909 2.552 1.00 0.00 O ATOM 0 H GLU A 47 -2.315 2.214 2.093 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.488 3.829 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.829 4.697 0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.749 2.946 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.113 2.789 2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.838 4.504 2.731 1.00 0.00 H new ATOM 748 N TYR A 48 -1.007 5.296 2.710 1.00 0.00 N ATOM 749 CA TYR A 48 -0.320 6.467 3.271 1.00 0.00 C ATOM 750 C TYR A 48 1.153 6.556 2.838 1.00 0.00 C ATOM 751 O TYR A 48 1.775 7.604 3.005 1.00 0.00 O ATOM 752 CB TYR A 48 -0.347 6.427 4.808 1.00 0.00 C ATOM 753 CG TYR A 48 -1.679 6.477 5.537 1.00 0.00 C ATOM 754 CD1 TYR A 48 -2.910 6.695 4.878 1.00 0.00 C ATOM 755 CD2 TYR A 48 -1.656 6.337 6.937 1.00 0.00 C ATOM 756 CE1 TYR A 48 -4.105 6.749 5.620 1.00 0.00 C ATOM 757 CE2 TYR A 48 -2.846 6.405 7.684 1.00 0.00 C ATOM 758 CZ TYR A 48 -4.080 6.604 7.025 1.00 0.00 C ATOM 759 OH TYR A 48 -5.240 6.667 7.734 1.00 0.00 O ATOM 0 H TYR A 48 -1.065 4.511 3.359 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.856 7.336 2.889 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.161 5.514 5.119 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.253 7.264 5.167 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.934 6.820 3.806 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.716 6.176 7.443 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.046 6.902 5.112 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.817 6.305 8.759 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.048 6.547 8.687 1.00 0.00 H new ATOM 769 N PHE A 49 1.747 5.468 2.343 1.00 0.00 N ATOM 770 CA PHE A 49 3.184 5.350 2.094 1.00 0.00 C ATOM 771 C PHE A 49 3.595 5.675 0.652 1.00 0.00 C ATOM 772 O PHE A 49 2.800 5.645 -0.288 1.00 0.00 O ATOM 773 CB PHE A 49 3.682 3.962 2.527 1.00 0.00 C ATOM 774 CG PHE A 49 3.773 3.782 4.031 1.00 0.00 C ATOM 775 CD1 PHE A 49 5.021 3.893 4.672 1.00 0.00 C ATOM 776 CD2 PHE A 49 2.620 3.512 4.793 1.00 0.00 C ATOM 777 CE1 PHE A 49 5.111 3.744 6.067 1.00 0.00 C ATOM 778 CE2 PHE A 49 2.713 3.354 6.186 1.00 0.00 C ATOM 779 CZ PHE A 49 3.959 3.473 6.825 1.00 0.00 C ATOM 0 H PHE A 49 1.229 4.624 2.098 1.00 0.00 H new ATOM 0 HA PHE A 49 3.671 6.112 2.703 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.013 3.204 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.665 3.787 2.090 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.910 4.093 4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.661 3.426 4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.068 3.838 6.558 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.827 3.141 6.766 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.031 3.356 7.896 1.00 0.00 H new ATOM 789 N ALA A 50 4.887 5.961 0.508 1.00 0.00 N ATOM 790 CA ALA A 50 5.633 6.106 -0.731 1.00 0.00 C ATOM 791 C ALA A 50 7.043 5.524 -0.551 1.00 0.00 C ATOM 792 O ALA A 50 7.589 5.482 0.557 1.00 0.00 O ATOM 793 CB ALA A 50 5.695 7.591 -1.120 1.00 0.00 C ATOM 0 H ALA A 50 5.483 6.108 1.323 1.00 0.00 H new ATOM 0 HA ALA A 50 5.135 5.560 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.254 7.701 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.684 7.974 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.191 8.154 -0.329 1.00 0.00 H new ATOM 799 N LEU A 51 7.633 5.063 -1.650 1.00 0.00 N ATOM 800 CA LEU A 51 9.058 4.756 -1.702 1.00 0.00 C ATOM 801 C LEU A 51 9.824 6.061 -1.965 1.00 0.00 C ATOM 802 O LEU A 51 9.280 7.011 -2.532 1.00 0.00 O ATOM 803 CB LEU A 51 9.309 3.686 -2.778 1.00 0.00 C ATOM 804 CG LEU A 51 8.956 2.266 -2.303 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.917 1.314 -3.497 1.00 0.00 C ATOM 806 CD2 LEU A 51 9.983 1.730 -1.300 1.00 0.00 C ATOM 0 H LEU A 51 7.139 4.892 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 51 9.414 4.344 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.721 3.924 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.358 3.715 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 51 7.982 2.322 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.667 0.310 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.164 1.653 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.893 1.299 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.698 0.725 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.967 1.699 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.016 2.384 -0.428 1.00 0.00 H new ATOM 818 N GLN A 52 11.090 6.111 -1.567 1.00 0.00 N ATOM 819 CA GLN A 52 11.956 7.279 -1.711 1.00 0.00 C ATOM 820 C GLN A 52 13.391 6.850 -2.035 1.00 0.00 C ATOM 821 O GLN A 52 13.866 5.831 -1.536 1.00 0.00 O ATOM 822 CB GLN A 52 11.858 8.118 -0.427 1.00 0.00 C ATOM 823 CG GLN A 52 12.659 9.427 -0.465 1.00 0.00 C ATOM 824 CD GLN A 52 12.387 10.307 0.757 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.247 9.849 1.884 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.318 11.607 0.587 1.00 0.00 N ATOM 0 H GLN A 52 11.556 5.320 -1.123 1.00 0.00 H new ATOM 0 HA GLN A 52 11.632 7.897 -2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.810 8.352 -0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.206 7.517 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.723 9.198 -0.516 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.408 9.979 -1.371 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.432 12.006 -0.345 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.150 12.218 1.387 1.00 0.00 H new ATOM 835 N HIS A 53 14.090 7.617 -2.866 1.00 0.00 N ATOM 836 CA HIS A 53 15.497 7.359 -3.208 1.00 0.00 C ATOM 837 C HIS A 53 16.449 7.560 -2.022 1.00 0.00 C ATOM 838 O HIS A 53 16.384 8.584 -1.341 1.00 0.00 O ATOM 839 CB HIS A 53 15.940 8.244 -4.381 1.00 0.00 C ATOM 840 CG HIS A 53 15.739 7.604 -5.728 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.587 6.643 -6.284 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.750 7.892 -6.620 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.083 6.368 -7.500 1.00 0.00 C ATOM 844 NE2 HIS A 53 14.979 7.102 -7.726 1.00 0.00 N ATOM 0 H HIS A 53 13.701 8.440 -3.326 1.00 0.00 H new ATOM 0 HA HIS A 53 15.553 6.309 -3.495 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.386 9.182 -4.347 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.994 8.493 -4.260 1.00 0.00 H new ATOM 0 HD1 HIS A 53 17.418 6.234 -5.856 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.945 8.600 -6.487 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.505 5.658 -8.196 1.00 0.00 H new ATOM 930 N TYR A 60 10.812 11.246 -3.934 1.00 0.00 N ATOM 931 CA TYR A 60 9.726 10.275 -3.756 1.00 0.00 C ATOM 932 C TYR A 60 9.426 9.569 -5.089 1.00 0.00 C ATOM 933 O TYR A 60 9.472 10.190 -6.152 1.00 0.00 O ATOM 934 CB TYR A 60 8.460 10.966 -3.230 1.00 0.00 C ATOM 935 CG TYR A 60 8.592 11.529 -1.828 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.391 10.683 -0.719 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.892 12.891 -1.630 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.487 11.202 0.586 1.00 0.00 C ATOM 939 CE2 TYR A 60 9.002 13.408 -0.324 1.00 0.00 C ATOM 940 CZ TYR A 60 8.810 12.561 0.788 1.00 0.00 C ATOM 941 OH TYR A 60 8.902 13.054 2.055 1.00 0.00 O ATOM 0 HA TYR A 60 10.044 9.534 -3.023 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.193 11.775 -3.910 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.637 10.251 -3.246 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.164 9.638 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.038 13.540 -2.481 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.313 10.558 1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.233 14.452 -0.174 1.00 0.00 H new ATOM 0 HH TYR A 60 9.133 14.006 2.020 1.00 0.00 H new ATOM 951 N ILE A 61 9.104 8.277 -5.047 1.00 0.00 N ATOM 952 CA ILE A 61 8.789 7.480 -6.236 1.00 0.00 C ATOM 953 C ILE A 61 7.325 7.679 -6.651 1.00 0.00 C ATOM 954 O ILE A 61 6.408 7.611 -5.830 1.00 0.00 O ATOM 955 CB ILE A 61 9.159 6.000 -6.009 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.646 5.820 -5.613 1.00 0.00 C ATOM 957 CG2 ILE A 61 8.835 5.146 -7.245 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.672 6.481 -6.547 1.00 0.00 C ATOM 0 H ILE A 61 9.053 7.746 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 61 9.396 7.828 -7.072 1.00 0.00 H new ATOM 0 HB ILE A 61 8.548 5.655 -5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.786 6.221 -4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.863 4.753 -5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.108 4.108 -7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.768 5.207 -7.460 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.399 5.516 -8.101 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.679 6.291 -6.174 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.572 6.065 -7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.494 7.556 -6.580 1.00 0.00 H new ATOM 970 N THR A 62 7.124 7.919 -7.945 1.00 0.00 N ATOM 971 CA THR A 62 5.849 8.253 -8.602 1.00 0.00 C ATOM 972 C THR A 62 5.860 7.709 -10.032 1.00 0.00 C ATOM 973 O THR A 62 6.908 7.299 -10.534 1.00 0.00 O ATOM 974 CB THR A 62 5.625 9.780 -8.662 1.00 0.00 C ATOM 975 OG1 THR A 62 6.552 10.364 -9.554 1.00 0.00 O ATOM 976 CG2 THR A 62 5.757 10.501 -7.322 1.00 0.00 C ATOM 0 H THR A 62 7.895 7.885 -8.612 1.00 0.00 H new ATOM 0 HA THR A 62 5.045 7.804 -8.019 1.00 0.00 H new ATOM 0 HB THR A 62 4.593 9.900 -8.993 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.405 11.332 -9.590 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.583 11.568 -7.464 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.023 10.104 -6.621 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.760 10.347 -6.923 1.00 0.00 H new ATOM 984 N GLU A 63 4.737 7.769 -10.749 1.00 0.00 N ATOM 985 CA GLU A 63 4.691 7.430 -12.184 1.00 0.00 C ATOM 986 C GLU A 63 5.620 8.312 -13.052 1.00 0.00 C ATOM 987 O GLU A 63 6.003 7.905 -14.151 1.00 0.00 O ATOM 988 CB GLU A 63 3.245 7.521 -12.694 1.00 0.00 C ATOM 989 CG GLU A 63 2.307 6.526 -11.988 1.00 0.00 C ATOM 990 CD GLU A 63 0.920 6.443 -12.660 1.00 0.00 C ATOM 991 OE1 GLU A 63 0.369 7.487 -13.089 1.00 0.00 O ATOM 992 OE2 GLU A 63 0.359 5.324 -12.747 1.00 0.00 O ATOM 0 H GLU A 63 3.837 8.051 -10.361 1.00 0.00 H new ATOM 0 HA GLU A 63 5.059 6.409 -12.279 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.873 8.535 -12.544 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.229 7.331 -13.767 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.766 5.537 -11.986 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.185 6.823 -10.946 1.00 0.00 H new ATOM 999 N LYS A 64 6.012 9.498 -12.555 1.00 0.00 N ATOM 1000 CA LYS A 64 6.960 10.427 -13.200 1.00 0.00 C ATOM 1001 C LYS A 64 8.426 10.204 -12.784 1.00 0.00 C ATOM 1002 O LYS A 64 9.318 10.657 -13.501 1.00 0.00 O ATOM 1003 CB LYS A 64 6.534 11.882 -12.910 1.00 0.00 C ATOM 1004 CG LYS A 64 5.400 12.423 -13.802 1.00 0.00 C ATOM 1005 CD LYS A 64 4.037 11.735 -13.617 1.00 0.00 C ATOM 1006 CE LYS A 64 2.926 12.390 -14.451 1.00 0.00 C ATOM 1007 NZ LYS A 64 2.549 13.739 -13.951 1.00 0.00 N ATOM 0 H LYS A 64 5.666 9.850 -11.662 1.00 0.00 H new ATOM 0 HA LYS A 64 6.920 10.226 -14.271 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.220 11.951 -11.869 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.404 12.528 -13.024 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.281 13.488 -13.605 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.701 12.323 -14.845 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.124 10.685 -13.895 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.760 11.764 -12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.255 12.470 -15.487 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.046 11.746 -14.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.751 14.105 -14.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.272 13.674 -12.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.360 14.383 -14.044 1.00 0.00 H new ATOM 1021 N ASN A 65 8.683 9.518 -11.659 1.00 0.00 N ATOM 1022 CA ASN A 65 10.025 9.328 -11.076 1.00 0.00 C ATOM 1023 C ASN A 65 10.526 7.870 -11.061 1.00 0.00 C ATOM 1024 O ASN A 65 11.730 7.641 -10.931 1.00 0.00 O ATOM 1025 CB ASN A 65 10.039 9.907 -9.646 1.00 0.00 C ATOM 1026 CG ASN A 65 9.895 11.419 -9.561 1.00 0.00 C ATOM 1027 OD1 ASN A 65 10.009 12.163 -10.526 1.00 0.00 O ATOM 1028 ND2 ASN A 65 9.671 11.927 -8.372 1.00 0.00 N ATOM 0 H ASN A 65 7.947 9.068 -11.115 1.00 0.00 H new ATOM 0 HA ASN A 65 10.718 9.860 -11.728 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.231 9.448 -9.077 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.973 9.619 -9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.593 12.937 -8.256 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.575 11.312 -7.564 1.00 0.00 H new ATOM 1035 N ARG A 66 9.645 6.865 -11.182 1.00 0.00 N ATOM 1036 CA ARG A 66 10.004 5.433 -11.082 1.00 0.00 C ATOM 1037 C ARG A 66 11.004 4.953 -12.138 1.00 0.00 C ATOM 1038 O ARG A 66 11.726 3.989 -11.899 1.00 0.00 O ATOM 1039 CB ARG A 66 8.727 4.572 -11.080 1.00 0.00 C ATOM 1040 CG ARG A 66 7.949 4.603 -12.410 1.00 0.00 C ATOM 1041 CD ARG A 66 6.620 3.842 -12.332 1.00 0.00 C ATOM 1042 NE ARG A 66 6.816 2.430 -11.956 1.00 0.00 N ATOM 1043 CZ ARG A 66 5.877 1.537 -11.723 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.615 1.768 -11.932 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.183 0.363 -11.263 1.00 0.00 N ATOM 0 H ARG A 66 8.652 7.020 -11.354 1.00 0.00 H new ATOM 0 HA ARG A 66 10.529 5.313 -10.134 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.997 3.541 -10.852 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.071 4.914 -10.279 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.755 5.639 -12.689 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.566 4.171 -13.198 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.968 4.324 -11.604 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.115 3.894 -13.296 1.00 0.00 H new ATOM 0 HE ARG A 66 7.781 2.111 -11.867 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.315 2.674 -12.292 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.925 1.043 -11.736 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.158 0.126 -11.079 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.449 -0.322 -11.085 1.00 0.00 H new ATOM 1059 N ASN A 67 11.096 5.647 -13.273 1.00 0.00 N ATOM 1060 CA ASN A 67 12.086 5.405 -14.328 1.00 0.00 C ATOM 1061 C ASN A 67 13.542 5.654 -13.866 1.00 0.00 C ATOM 1062 O ASN A 67 14.475 5.120 -14.464 1.00 0.00 O ATOM 1063 CB ASN A 67 11.746 6.310 -15.528 1.00 0.00 C ATOM 1064 CG ASN A 67 12.060 7.770 -15.230 1.00 0.00 C ATOM 1065 OD1 ASN A 67 11.421 8.403 -14.403 1.00 0.00 O ATOM 1066 ND2 ASN A 67 13.093 8.314 -15.830 1.00 0.00 N ATOM 0 H ASN A 67 10.465 6.418 -13.492 1.00 0.00 H new ATOM 0 HA ASN A 67 12.034 4.352 -14.604 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.311 5.986 -16.402 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.690 6.207 -15.776 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.367 9.271 -15.607 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.622 7.780 -16.519 1.00 0.00 H new ATOM 1073 N GLU A 68 13.752 6.463 -12.818 1.00 0.00 N ATOM 1074 CA GLU A 68 15.078 6.741 -12.243 1.00 0.00 C ATOM 1075 C GLU A 68 15.624 5.569 -11.401 1.00 0.00 C ATOM 1076 O GLU A 68 16.812 5.542 -11.072 1.00 0.00 O ATOM 1077 CB GLU A 68 15.030 8.026 -11.397 1.00 0.00 C ATOM 1078 CG GLU A 68 14.527 9.280 -12.136 1.00 0.00 C ATOM 1079 CD GLU A 68 15.295 9.620 -13.433 1.00 0.00 C ATOM 1080 OE1 GLU A 68 14.670 10.165 -14.376 1.00 0.00 O ATOM 1081 OE2 GLU A 68 16.525 9.383 -13.512 1.00 0.00 O ATOM 0 H GLU A 68 12.995 6.950 -12.338 1.00 0.00 H new ATOM 0 HA GLU A 68 15.764 6.876 -13.079 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.387 7.850 -10.534 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.030 8.227 -11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.474 9.143 -12.380 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.589 10.132 -11.460 1.00 0.00 H new ATOM 1088 N ILE A 69 14.779 4.590 -11.050 1.00 0.00 N ATOM 1089 CA ILE A 69 15.183 3.343 -10.392 1.00 0.00 C ATOM 1090 C ILE A 69 15.879 2.427 -11.411 1.00 0.00 C ATOM 1091 O ILE A 69 15.320 2.126 -12.471 1.00 0.00 O ATOM 1092 CB ILE A 69 13.964 2.629 -9.758 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.216 3.549 -8.763 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.407 1.330 -9.061 1.00 0.00 C ATOM 1095 CD1 ILE A 69 11.899 2.952 -8.253 1.00 0.00 C ATOM 0 H ILE A 69 13.775 4.645 -11.220 1.00 0.00 H new ATOM 0 HA ILE A 69 15.881 3.580 -9.589 1.00 0.00 H new ATOM 0 HB ILE A 69 13.271 2.381 -10.562 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.866 3.756 -7.913 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.010 4.504 -9.247 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.539 0.839 -8.620 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.868 0.665 -9.791 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.128 1.565 -8.278 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.428 3.649 -7.560 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.232 2.770 -9.095 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.100 2.011 -7.740 1.00 0.00 H new ATOM 1107 N LYS A 70 17.071 1.937 -11.058 1.00 0.00 N ATOM 1108 CA LYS A 70 17.807 0.881 -11.776 1.00 0.00 C ATOM 1109 C LYS A 70 17.924 -0.404 -10.944 1.00 0.00 C ATOM 1110 O LYS A 70 17.600 -0.416 -9.754 1.00 0.00 O ATOM 1111 CB LYS A 70 19.178 1.419 -12.234 1.00 0.00 C ATOM 1112 CG LYS A 70 20.168 1.636 -11.074 1.00 0.00 C ATOM 1113 CD LYS A 70 21.585 1.950 -11.577 1.00 0.00 C ATOM 1114 CE LYS A 70 22.619 1.764 -10.457 1.00 0.00 C ATOM 1115 NZ LYS A 70 22.931 0.325 -10.217 1.00 0.00 N ATOM 0 H LYS A 70 17.572 2.274 -10.236 1.00 0.00 H new ATOM 0 HA LYS A 70 17.241 0.604 -12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.614 0.721 -12.948 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.033 2.363 -12.759 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.817 2.455 -10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.195 0.744 -10.449 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.830 1.298 -12.415 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.625 2.974 -11.947 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.535 2.295 -10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.242 2.211 -9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 23.469 0.229 -9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.045 -0.215 -10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.497 -0.044 -11.007 1.00 0.00 H new ATOM 1129 N ASN A 71 18.455 -1.472 -11.535 1.00 0.00 N ATOM 1130 CA ASN A 71 18.799 -2.683 -10.790 1.00 0.00 C ATOM 1131 C ASN A 71 19.873 -2.391 -9.716 1.00 0.00 C ATOM 1132 O ASN A 71 20.891 -1.749 -9.992 1.00 0.00 O ATOM 1133 CB ASN A 71 19.234 -3.771 -11.787 1.00 0.00 C ATOM 1134 CG ASN A 71 19.184 -5.150 -11.158 1.00 0.00 C ATOM 1135 OD1 ASN A 71 18.126 -5.638 -10.793 1.00 0.00 O ATOM 1136 ND2 ASN A 71 20.306 -5.811 -10.992 1.00 0.00 N ATOM 0 H ASN A 71 18.658 -1.524 -12.533 1.00 0.00 H new ATOM 0 HA ASN A 71 17.927 -3.047 -10.246 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.585 -3.745 -12.662 1.00 0.00 H new ATOM 0 HB3 ASN A 71 20.246 -3.564 -12.135 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.295 -6.734 -10.558 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.189 -5.402 -11.298 1.00 0.00 H new ATOM 1143 N GLY A 72 19.631 -2.842 -8.484 1.00 0.00 N ATOM 1144 CA GLY A 72 20.486 -2.606 -7.315 1.00 0.00 C ATOM 1145 C GLY A 72 20.275 -1.262 -6.596 1.00 0.00 C ATOM 1146 O GLY A 72 21.084 -0.919 -5.732 1.00 0.00 O ATOM 0 H GLY A 72 18.807 -3.401 -8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.321 -3.411 -6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.527 -2.669 -7.631 1.00 0.00 H new ATOM 1150 N THR A 73 19.228 -0.492 -6.924 1.00 0.00 N ATOM 1151 CA THR A 73 18.946 0.809 -6.271 1.00 0.00 C ATOM 1152 C THR A 73 18.582 0.635 -4.794 1.00 0.00 C ATOM 1153 O THR A 73 17.717 -0.179 -4.457 1.00 0.00 O ATOM 1154 CB THR A 73 17.809 1.578 -6.966 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.126 1.798 -8.318 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.533 2.962 -6.379 1.00 0.00 C ATOM 0 H THR A 73 18.552 -0.745 -7.645 1.00 0.00 H new ATOM 0 HA THR A 73 19.868 1.385 -6.356 1.00 0.00 H new ATOM 0 HB THR A 73 16.931 0.948 -6.825 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.087 0.949 -8.805 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.718 3.434 -6.928 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.255 2.863 -5.330 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.429 3.577 -6.461 1.00 0.00 H new ATOM 1164 N ILE A 74 19.201 1.420 -3.908 1.00 0.00 N ATOM 1165 CA ILE A 74 18.800 1.529 -2.502 1.00 0.00 C ATOM 1166 C ILE A 74 17.682 2.575 -2.371 1.00 0.00 C ATOM 1167 O ILE A 74 17.810 3.718 -2.828 1.00 0.00 O ATOM 1168 CB ILE A 74 19.999 1.820 -1.573 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.143 0.802 -1.806 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.548 1.777 -0.097 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.427 1.123 -1.038 1.00 0.00 C ATOM 0 H ILE A 74 20.002 2.003 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 74 18.410 0.566 -2.172 1.00 0.00 H new ATOM 0 HB ILE A 74 20.375 2.816 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 74 20.797 -0.190 -1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.369 0.763 -2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.401 1.983 0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.776 2.528 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.149 0.789 0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.179 0.364 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.799 2.101 -1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.218 1.133 0.032 1.00 0.00 H new ATOM 1183 N LEU A 75 16.585 2.176 -1.731 1.00 0.00 N ATOM 1184 CA LEU A 75 15.379 2.967 -1.479 1.00 0.00 C ATOM 1185 C LEU A 75 15.059 3.014 0.026 1.00 0.00 C ATOM 1186 O LEU A 75 15.655 2.296 0.828 1.00 0.00 O ATOM 1187 CB LEU A 75 14.199 2.374 -2.277 1.00 0.00 C ATOM 1188 CG LEU A 75 14.353 2.343 -3.810 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.117 1.690 -4.428 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.487 3.742 -4.412 1.00 0.00 C ATOM 0 H LEU A 75 16.508 1.233 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 75 15.550 3.992 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.031 1.354 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.302 2.945 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 75 15.261 1.781 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.222 1.666 -5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.016 0.672 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.230 2.265 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.593 3.664 -5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.598 4.327 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.366 4.234 -3.996 1.00 0.00 H new ATOM 1202 N ARG A 76 14.085 3.839 0.408 1.00 0.00 N ATOM 1203 CA ARG A 76 13.548 4.008 1.767 1.00 0.00 C ATOM 1204 C ARG A 76 12.022 4.002 1.736 1.00 0.00 C ATOM 1205 O ARG A 76 11.428 4.645 0.871 1.00 0.00 O ATOM 1206 CB ARG A 76 14.078 5.334 2.354 1.00 0.00 C ATOM 1207 CG ARG A 76 15.486 5.135 2.919 1.00 0.00 C ATOM 1208 CD ARG A 76 16.297 6.416 3.106 1.00 0.00 C ATOM 1209 NE ARG A 76 17.647 6.035 3.552 1.00 0.00 N ATOM 1210 CZ ARG A 76 18.733 6.766 3.654 1.00 0.00 C ATOM 1211 NH1 ARG A 76 18.757 8.046 3.413 1.00 0.00 N ATOM 1212 NH2 ARG A 76 19.826 6.162 4.008 1.00 0.00 N ATOM 0 H ARG A 76 13.617 4.448 -0.263 1.00 0.00 H new ATOM 0 HA ARG A 76 13.874 3.181 2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.093 6.102 1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.409 5.686 3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.406 4.630 3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.036 4.469 2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.347 6.976 2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.821 7.065 3.841 1.00 0.00 H new ATOM 0 HE ARG A 76 17.755 5.057 3.822 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.904 8.528 3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 76 19.629 8.567 3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.817 5.159 4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 76 20.694 6.690 4.100 1.00 0.00 H new ATOM 1226 N LEU A 77 11.387 3.295 2.669 1.00 0.00 N ATOM 1227 CA LEU A 77 9.942 3.395 2.896 1.00 0.00 C ATOM 1228 C LEU A 77 9.641 4.616 3.783 1.00 0.00 C ATOM 1229 O LEU A 77 10.353 4.874 4.755 1.00 0.00 O ATOM 1230 CB LEU A 77 9.419 2.073 3.489 1.00 0.00 C ATOM 1231 CG LEU A 77 7.919 2.064 3.806 1.00 0.00 C ATOM 1232 CD1 LEU A 77 7.092 2.115 2.516 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.529 0.801 4.562 1.00 0.00 C ATOM 0 H LEU A 77 11.857 2.636 3.290 1.00 0.00 H new ATOM 0 HA LEU A 77 9.416 3.550 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.634 1.266 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.971 1.857 4.403 1.00 0.00 H new ATOM 0 HG LEU A 77 7.716 2.942 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.031 2.108 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.330 3.026 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.326 1.248 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.460 0.820 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.763 -0.073 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.084 0.751 5.499 1.00 0.00 H new ATOM 1245 N THR A 78 8.596 5.378 3.451 1.00 0.00 N ATOM 1246 CA THR A 78 8.242 6.628 4.143 1.00 0.00 C ATOM 1247 C THR A 78 6.757 6.970 3.959 1.00 0.00 C ATOM 1248 O THR A 78 6.161 6.604 2.945 1.00 0.00 O ATOM 1249 CB THR A 78 9.167 7.764 3.655 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.819 8.980 4.276 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.163 7.980 2.135 1.00 0.00 C ATOM 0 H THR A 78 7.962 5.145 2.686 1.00 0.00 H new ATOM 0 HA THR A 78 8.393 6.499 5.215 1.00 0.00 H new ATOM 0 HB THR A 78 10.172 7.446 3.931 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.414 9.691 3.959 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.840 8.796 1.882 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.492 7.068 1.637 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.154 8.230 1.806 1.00 0.00 H new ATOM 1259 N THR A 79 6.120 7.647 4.919 1.00 0.00 N ATOM 1260 CA THR A 79 4.765 8.196 4.723 1.00 0.00 C ATOM 1261 C THR A 79 4.806 9.377 3.745 1.00 0.00 C ATOM 1262 O THR A 79 5.591 10.316 3.901 1.00 0.00 O ATOM 1263 CB THR A 79 4.074 8.590 6.040 1.00 0.00 C ATOM 1264 OG1 THR A 79 4.928 9.350 6.877 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.602 7.360 6.819 1.00 0.00 C ATOM 0 H THR A 79 6.516 7.831 5.841 1.00 0.00 H new ATOM 0 HA THR A 79 4.159 7.398 4.294 1.00 0.00 H new ATOM 0 HB THR A 79 3.213 9.196 5.758 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.454 9.583 7.703 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.119 7.678 7.743 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.892 6.796 6.214 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.458 6.729 7.056 1.00 0.00 H new ATOM 1273 N SER A 80 3.966 9.321 2.710 1.00 0.00 N ATOM 1274 CA SER A 80 3.951 10.257 1.583 1.00 0.00 C ATOM 1275 C SER A 80 3.529 11.676 1.996 1.00 0.00 C ATOM 1276 O SER A 80 2.570 11.817 2.761 1.00 0.00 O ATOM 1277 CB SER A 80 2.986 9.734 0.515 1.00 0.00 C ATOM 1278 OG SER A 80 2.926 10.627 -0.582 1.00 0.00 O ATOM 0 H SER A 80 3.252 8.597 2.630 1.00 0.00 H new ATOM 0 HA SER A 80 4.968 10.322 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.311 8.751 0.174 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.992 9.610 0.945 1.00 0.00 H new ATOM 0 HG SER A 80 2.306 10.277 -1.256 1.00 0.00 H new