USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 474 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 25 GLN : amide:sc= -0.0475 X(o=-0.048,f=-0.5) USER MOD Single : A 35 THR OG1 : rot -101:sc= 1.19 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.67 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -2.89 K(o=-2.9,f=-3.6!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -3.76! K(o=-3.8!,f=-4.7) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0845 X(o=-0.084,f=-0.49) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0289 USER MOD Single : A 74 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-1.8) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc=-0.000681 K(o=-0.00068,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLN A 25 5.977 4.027 -13.002 1.00 11.14 N ATOM 70 CA GLN A 25 6.924 4.337 -14.066 1.00 72.13 C ATOM 71 C GLN A 25 6.574 5.661 -14.738 1.00 75.41 C ATOM 72 O GLN A 25 7.457 6.442 -15.091 1.00 63.54 O ATOM 73 CB GLN A 25 6.942 3.214 -15.104 1.00 72.44 C ATOM 74 CG GLN A 25 5.607 3.008 -15.802 1.00 51.51 C ATOM 75 CD GLN A 25 5.442 1.602 -16.344 1.00 53.54 C ATOM 76 OE1 GLN A 25 5.758 0.623 -15.669 1.00 25.12 O ATOM 77 NE2 GLN A 25 4.943 1.495 -17.571 1.00 3.44 N ATOM 0 HA GLN A 25 7.915 4.427 -13.621 1.00 72.13 H new ATOM 0 HB2 GLN A 25 7.703 3.435 -15.852 1.00 72.44 H new ATOM 0 HB3 GLN A 25 7.235 2.284 -14.616 1.00 72.44 H new ATOM 0 HG2 GLN A 25 4.799 3.220 -15.102 1.00 51.51 H new ATOM 0 HG3 GLN A 25 5.516 3.722 -16.621 1.00 51.51 H new ATOM 0 HE21 GLN A 25 4.694 2.334 -18.095 1.00 3.44 H new ATOM 0 HE22 GLN A 25 4.809 0.574 -17.988 1.00 3.44 H new ATOM 86 N ASP A 26 5.280 5.906 -14.912 1.00 34.04 N ATOM 87 CA ASP A 26 4.812 7.136 -15.541 1.00 22.24 C ATOM 88 C ASP A 26 4.593 8.229 -14.500 1.00 3.42 C ATOM 89 O ASP A 26 3.486 8.749 -14.353 1.00 21.22 O ATOM 90 CB ASP A 26 3.515 6.880 -16.310 1.00 23.53 C ATOM 91 CG ASP A 26 3.471 5.494 -16.924 1.00 53.33 C ATOM 92 OD1 ASP A 26 4.058 5.308 -18.011 1.00 30.32 O ATOM 93 OD2 ASP A 26 2.849 4.597 -16.318 1.00 64.34 O ATOM 0 H ASP A 26 4.536 5.269 -14.626 1.00 34.04 H new ATOM 0 HA ASP A 26 5.579 7.472 -16.239 1.00 22.24 H new ATOM 0 HB2 ASP A 26 2.666 7.003 -15.637 1.00 23.53 H new ATOM 0 HB3 ASP A 26 3.409 7.627 -17.097 1.00 23.53 H new ATOM 98 N LEU A 27 5.655 8.574 -13.779 1.00 34.21 N ATOM 99 CA LEU A 27 5.579 9.605 -12.750 1.00 52.31 C ATOM 100 C LEU A 27 6.478 10.788 -13.097 1.00 74.34 C ATOM 101 O LEU A 27 7.690 10.635 -13.251 1.00 14.03 O ATOM 102 CB LEU A 27 5.978 9.028 -11.391 1.00 43.10 C ATOM 103 CG LEU A 27 6.226 10.045 -10.277 1.00 3.34 C ATOM 104 CD1 LEU A 27 5.101 10.002 -9.255 1.00 11.34 C ATOM 105 CD2 LEU A 27 7.568 9.786 -9.607 1.00 32.04 C ATOM 0 H LEU A 27 6.578 8.155 -13.888 1.00 34.21 H new ATOM 0 HA LEU A 27 4.549 9.958 -12.699 1.00 52.31 H new ATOM 0 HB2 LEU A 27 5.194 8.345 -11.064 1.00 43.10 H new ATOM 0 HB3 LEU A 27 6.883 8.435 -11.522 1.00 43.10 H new ATOM 0 HG LEU A 27 6.250 11.041 -10.719 1.00 3.34 H new ATOM 0 HD11 LEU A 27 5.295 10.733 -8.470 1.00 11.34 H new ATOM 0 HD12 LEU A 27 4.156 10.237 -9.744 1.00 11.34 H new ATOM 0 HD13 LEU A 27 5.045 9.005 -8.817 1.00 11.34 H new ATOM 0 HD21 LEU A 27 7.728 10.519 -8.817 1.00 32.04 H new ATOM 0 HD22 LEU A 27 7.573 8.784 -9.178 1.00 32.04 H new ATOM 0 HD23 LEU A 27 8.365 9.869 -10.345 1.00 32.04 H new ATOM 117 N ASP A 28 5.876 11.966 -13.218 1.00 21.03 N ATOM 118 CA ASP A 28 6.622 13.176 -13.543 1.00 64.24 C ATOM 119 C ASP A 28 7.866 13.300 -12.668 1.00 35.40 C ATOM 120 O ASP A 28 7.806 13.091 -11.456 1.00 0.53 O ATOM 121 CB ASP A 28 5.736 14.410 -13.369 1.00 71.13 C ATOM 122 CG ASP A 28 6.034 15.486 -14.394 1.00 42.33 C ATOM 123 OD1 ASP A 28 7.226 15.697 -14.705 1.00 34.51 O ATOM 124 OD2 ASP A 28 5.076 16.118 -14.887 1.00 23.04 O ATOM 0 H ASP A 28 4.873 12.109 -13.096 1.00 21.03 H new ATOM 0 HA ASP A 28 6.938 13.109 -14.584 1.00 64.24 H new ATOM 0 HB2 ASP A 28 4.689 14.116 -13.449 1.00 71.13 H new ATOM 0 HB3 ASP A 28 5.877 14.817 -12.368 1.00 71.13 H new ATOM 129 N ILE A 29 8.990 13.638 -13.290 1.00 53.21 N ATOM 130 CA ILE A 29 10.246 13.789 -12.567 1.00 44.44 C ATOM 131 C ILE A 29 10.137 14.866 -11.493 1.00 73.01 C ATOM 132 O ILE A 29 10.927 14.899 -10.550 1.00 74.10 O ATOM 133 CB ILE A 29 11.404 14.146 -13.519 1.00 73.21 C ATOM 134 CG1 ILE A 29 12.719 14.241 -12.744 1.00 24.01 C ATOM 135 CG2 ILE A 29 11.112 15.453 -14.241 1.00 63.21 C ATOM 136 CD1 ILE A 29 13.048 12.992 -11.956 1.00 3.30 C ATOM 0 H ILE A 29 9.057 13.812 -14.293 1.00 53.21 H new ATOM 0 HA ILE A 29 10.455 12.829 -12.096 1.00 44.44 H new ATOM 0 HB ILE A 29 11.500 13.356 -14.264 1.00 73.21 H new ATOM 0 HG12 ILE A 29 13.530 14.443 -13.444 1.00 24.01 H new ATOM 0 HG13 ILE A 29 12.668 15.089 -12.061 1.00 24.01 H new ATOM 0 HG21 ILE A 29 11.939 15.692 -14.910 1.00 63.21 H new ATOM 0 HG22 ILE A 29 10.194 15.351 -14.820 1.00 63.21 H new ATOM 0 HG23 ILE A 29 10.993 16.253 -13.511 1.00 63.21 H new ATOM 0 HD11 ILE A 29 13.994 13.131 -11.432 1.00 3.30 H new ATOM 0 HD12 ILE A 29 12.256 12.800 -11.232 1.00 3.30 H new ATOM 0 HD13 ILE A 29 13.131 12.144 -12.636 1.00 3.30 H new ATOM 148 N ALA A 30 9.151 15.744 -11.642 1.00 14.41 N ATOM 149 CA ALA A 30 8.935 16.820 -10.682 1.00 55.24 C ATOM 150 C ALA A 30 8.297 16.293 -9.401 1.00 40.43 C ATOM 151 O ALA A 30 8.621 16.746 -8.303 1.00 62.51 O ATOM 152 CB ALA A 30 8.067 17.909 -11.297 1.00 3.03 C ATOM 0 H ALA A 30 8.489 15.732 -12.418 1.00 14.41 H new ATOM 0 HA ALA A 30 9.905 17.245 -10.425 1.00 55.24 H new ATOM 0 HB1 ALA A 30 7.914 18.706 -10.570 1.00 3.03 H new ATOM 0 HB2 ALA A 30 8.562 18.314 -12.180 1.00 3.03 H new ATOM 0 HB3 ALA A 30 7.103 17.488 -11.583 1.00 3.03 H new ATOM 158 N VAL A 31 7.388 15.335 -9.549 1.00 13.01 N ATOM 159 CA VAL A 31 6.705 14.746 -8.403 1.00 53.32 C ATOM 160 C VAL A 31 7.627 13.803 -7.639 1.00 12.12 C ATOM 161 O VAL A 31 7.433 13.560 -6.448 1.00 4.14 O ATOM 162 CB VAL A 31 5.444 13.975 -8.837 1.00 22.40 C ATOM 163 CG1 VAL A 31 4.827 13.250 -7.651 1.00 12.04 C ATOM 164 CG2 VAL A 31 4.438 14.917 -9.479 1.00 53.12 C ATOM 0 H VAL A 31 7.107 14.950 -10.451 1.00 13.01 H new ATOM 0 HA VAL A 31 6.412 15.569 -7.751 1.00 53.32 H new ATOM 0 HB VAL A 31 5.732 13.229 -9.578 1.00 22.40 H new ATOM 0 HG11 VAL A 31 3.937 12.711 -7.977 1.00 12.04 H new ATOM 0 HG12 VAL A 31 5.549 12.544 -7.240 1.00 12.04 H new ATOM 0 HG13 VAL A 31 4.552 13.975 -6.885 1.00 12.04 H new ATOM 0 HG21 VAL A 31 3.554 14.355 -9.779 1.00 53.12 H new ATOM 0 HG22 VAL A 31 4.152 15.687 -8.763 1.00 53.12 H new ATOM 0 HG23 VAL A 31 4.886 15.385 -10.356 1.00 53.12 H new ATOM 174 N TRP A 32 8.629 13.275 -8.331 1.00 44.24 N ATOM 175 CA TRP A 32 9.583 12.358 -7.717 1.00 51.12 C ATOM 176 C TRP A 32 10.574 13.112 -6.837 1.00 72.02 C ATOM 177 O TRP A 32 10.766 12.772 -5.669 1.00 34.11 O ATOM 178 CB TRP A 32 10.333 11.573 -8.794 1.00 61.03 C ATOM 179 CG TRP A 32 11.017 10.348 -8.268 1.00 63.32 C ATOM 180 CD1 TRP A 32 10.440 9.318 -7.582 1.00 23.34 C ATOM 181 CD2 TRP A 32 12.408 10.026 -8.384 1.00 74.03 C ATOM 182 NE1 TRP A 32 11.388 8.375 -7.264 1.00 2.11 N ATOM 183 CE2 TRP A 32 12.603 8.786 -7.746 1.00 31.41 C ATOM 184 CE3 TRP A 32 13.506 10.664 -8.967 1.00 71.31 C ATOM 185 CZ2 TRP A 32 13.852 8.174 -7.674 1.00 53.04 C ATOM 186 CZ3 TRP A 32 14.745 10.056 -8.895 1.00 73.40 C ATOM 187 CH2 TRP A 32 14.909 8.821 -8.253 1.00 65.24 C ATOM 0 H TRP A 32 8.803 13.466 -9.318 1.00 44.24 H new ATOM 0 HA TRP A 32 9.027 11.661 -7.090 1.00 51.12 H new ATOM 0 HB2 TRP A 32 9.632 11.281 -9.576 1.00 61.03 H new ATOM 0 HB3 TRP A 32 11.074 12.224 -9.258 1.00 61.03 H new ATOM 0 HD1 TRP A 32 9.393 9.254 -7.327 1.00 23.34 H new ATOM 0 HE1 TRP A 32 11.215 7.510 -6.752 1.00 2.11 H new ATOM 0 HE3 TRP A 32 13.389 11.615 -9.465 1.00 71.31 H new ATOM 0 HZ2 TRP A 32 13.981 7.223 -7.179 1.00 53.04 H new ATOM 0 HZ3 TRP A 32 15.601 10.541 -9.341 1.00 73.40 H new ATOM 0 HH2 TRP A 32 15.890 8.371 -8.215 1.00 65.24 H new ATOM 198 N LEU A 33 11.201 14.137 -7.404 1.00 20.31 N ATOM 199 CA LEU A 33 12.173 14.940 -6.670 1.00 31.42 C ATOM 200 C LEU A 33 11.482 15.807 -5.622 1.00 65.11 C ATOM 201 O LEU A 33 12.092 16.201 -4.629 1.00 4.51 O ATOM 202 CB LEU A 33 12.968 15.821 -7.634 1.00 42.14 C ATOM 203 CG LEU A 33 14.123 15.140 -8.370 1.00 33.52 C ATOM 204 CD1 LEU A 33 14.358 15.798 -9.720 1.00 43.12 C ATOM 205 CD2 LEU A 33 15.389 15.179 -7.527 1.00 61.20 C ATOM 0 H LEU A 33 11.054 14.432 -8.369 1.00 20.31 H new ATOM 0 HA LEU A 33 12.857 14.262 -6.160 1.00 31.42 H new ATOM 0 HB2 LEU A 33 12.280 16.226 -8.376 1.00 42.14 H new ATOM 0 HB3 LEU A 33 13.368 16.667 -7.075 1.00 42.14 H new ATOM 0 HG LEU A 33 13.856 14.097 -8.540 1.00 33.52 H new ATOM 0 HD11 LEU A 33 15.183 15.300 -10.229 1.00 43.12 H new ATOM 0 HD12 LEU A 33 13.456 15.717 -10.326 1.00 43.12 H new ATOM 0 HD13 LEU A 33 14.603 16.850 -9.574 1.00 43.12 H new ATOM 0 HD21 LEU A 33 16.200 14.690 -8.066 1.00 61.20 H new ATOM 0 HD22 LEU A 33 15.660 16.215 -7.325 1.00 61.20 H new ATOM 0 HD23 LEU A 33 15.215 14.660 -6.585 1.00 61.20 H new ATOM 217 N ALA A 34 10.206 16.098 -5.850 1.00 70.03 N ATOM 218 CA ALA A 34 9.431 16.915 -4.924 1.00 63.42 C ATOM 219 C ALA A 34 9.306 16.234 -3.565 1.00 55.14 C ATOM 220 O ALA A 34 9.001 16.879 -2.562 1.00 15.24 O ATOM 221 CB ALA A 34 8.054 17.204 -5.501 1.00 55.03 C ATOM 0 H ALA A 34 9.687 15.780 -6.668 1.00 70.03 H new ATOM 0 HA ALA A 34 9.958 17.859 -4.781 1.00 63.42 H new ATOM 0 HB1 ALA A 34 7.486 17.815 -4.799 1.00 55.03 H new ATOM 0 HB2 ALA A 34 8.160 17.739 -6.445 1.00 55.03 H new ATOM 0 HB3 ALA A 34 7.527 16.265 -5.673 1.00 55.03 H new ATOM 227 N THR A 35 9.542 14.926 -3.539 1.00 54.05 N ATOM 228 CA THR A 35 9.453 14.158 -2.304 1.00 72.43 C ATOM 229 C THR A 35 10.582 14.522 -1.348 1.00 4.13 C ATOM 230 O THR A 35 10.439 14.410 -0.130 1.00 71.31 O ATOM 231 CB THR A 35 9.498 12.643 -2.580 1.00 71.15 C ATOM 232 OG1 THR A 35 10.774 12.281 -3.119 1.00 24.10 O ATOM 233 CG2 THR A 35 8.399 12.237 -3.551 1.00 31.23 C ATOM 0 H THR A 35 9.796 14.377 -4.360 1.00 54.05 H new ATOM 0 HA THR A 35 8.497 14.408 -1.845 1.00 72.43 H new ATOM 0 HB THR A 35 9.340 12.120 -1.637 1.00 71.15 H new ATOM 0 HG1 THR A 35 10.699 12.168 -4.090 1.00 24.10 H new ATOM 0 HG21 THR A 35 8.451 11.163 -3.731 1.00 31.23 H new ATOM 0 HG22 THR A 35 7.427 12.487 -3.126 1.00 31.23 H new ATOM 0 HG23 THR A 35 8.531 12.769 -4.493 1.00 31.23 H new ATOM 241 N VAL A 36 11.706 14.960 -1.906 1.00 4.00 N ATOM 242 CA VAL A 36 12.861 15.343 -1.102 1.00 13.12 C ATOM 243 C VAL A 36 13.083 16.851 -1.143 1.00 32.25 C ATOM 244 O VAL A 36 14.143 17.344 -0.756 1.00 62.33 O ATOM 245 CB VAL A 36 14.140 14.634 -1.583 1.00 23.51 C ATOM 246 CG1 VAL A 36 14.066 13.143 -1.291 1.00 22.40 C ATOM 247 CG2 VAL A 36 14.362 14.884 -3.067 1.00 3.32 C ATOM 0 H VAL A 36 11.842 15.059 -2.912 1.00 4.00 H new ATOM 0 HA VAL A 36 12.649 15.037 -0.078 1.00 13.12 H new ATOM 0 HB VAL A 36 14.989 15.045 -1.038 1.00 23.51 H new ATOM 0 HG11 VAL A 36 14.979 12.659 -1.638 1.00 22.40 H new ATOM 0 HG12 VAL A 36 13.958 12.987 -0.218 1.00 22.40 H new ATOM 0 HG13 VAL A 36 13.208 12.713 -1.808 1.00 22.40 H new ATOM 0 HG21 VAL A 36 15.270 14.375 -3.390 1.00 3.32 H new ATOM 0 HG22 VAL A 36 13.512 14.501 -3.632 1.00 3.32 H new ATOM 0 HG23 VAL A 36 14.463 15.955 -3.244 1.00 3.32 H new ATOM 257 N HIS A 37 12.075 17.579 -1.613 1.00 3.53 N ATOM 258 CA HIS A 37 12.160 19.033 -1.703 1.00 71.20 C ATOM 259 C HIS A 37 13.250 19.454 -2.684 1.00 71.31 C ATOM 260 O HIS A 37 14.026 20.370 -2.410 1.00 42.02 O ATOM 261 CB HIS A 37 12.437 19.635 -0.325 1.00 41.34 C ATOM 262 CG HIS A 37 11.816 20.983 -0.125 1.00 42.42 C ATOM 263 ND1 HIS A 37 12.555 22.140 0.011 1.00 21.40 N ATOM 264 CD2 HIS A 37 10.518 21.356 -0.040 1.00 52.33 C ATOM 265 CE1 HIS A 37 11.738 23.165 0.173 1.00 42.11 C ATOM 266 NE2 HIS A 37 10.496 22.717 0.145 1.00 21.21 N ATOM 0 H HIS A 37 11.191 17.187 -1.937 1.00 3.53 H new ATOM 0 HA HIS A 37 11.203 19.406 -2.068 1.00 71.20 H new ATOM 0 HB2 HIS A 37 12.064 18.955 0.441 1.00 41.34 H new ATOM 0 HB3 HIS A 37 13.515 19.716 -0.183 1.00 41.34 H new ATOM 0 HD2 HIS A 37 9.659 20.705 -0.105 1.00 52.33 H new ATOM 0 HE1 HIS A 37 12.035 24.195 0.306 1.00 42.11 H new ATOM 0 HE2 HIS A 37 9.657 23.288 0.245 1.00 21.21 H new ATOM 274 N LEU A 38 13.303 18.779 -3.827 1.00 21.41 N ATOM 275 CA LEU A 38 14.299 19.082 -4.849 1.00 73.11 C ATOM 276 C LEU A 38 13.700 18.959 -6.246 1.00 55.24 C ATOM 277 O LEU A 38 14.410 18.690 -7.215 1.00 14.14 O ATOM 278 CB LEU A 38 15.500 18.145 -4.713 1.00 21.22 C ATOM 279 CG LEU A 38 16.224 18.173 -3.366 1.00 73.31 C ATOM 280 CD1 LEU A 38 16.976 16.871 -3.137 1.00 70.03 C ATOM 281 CD2 LEU A 38 17.174 19.359 -3.296 1.00 13.44 C ATOM 0 H LEU A 38 12.668 18.018 -4.069 1.00 21.41 H new ATOM 0 HA LEU A 38 14.630 20.110 -4.704 1.00 73.11 H new ATOM 0 HB2 LEU A 38 15.163 17.125 -4.901 1.00 21.22 H new ATOM 0 HB3 LEU A 38 16.219 18.392 -5.494 1.00 21.22 H new ATOM 0 HG LEU A 38 15.480 18.282 -2.577 1.00 73.31 H new ATOM 0 HD11 LEU A 38 17.485 16.909 -2.174 1.00 70.03 H new ATOM 0 HD12 LEU A 38 16.272 16.039 -3.143 1.00 70.03 H new ATOM 0 HD13 LEU A 38 17.710 16.731 -3.930 1.00 70.03 H new ATOM 0 HD21 LEU A 38 17.680 19.363 -2.331 1.00 13.44 H new ATOM 0 HD22 LEU A 38 17.913 19.281 -4.093 1.00 13.44 H new ATOM 0 HD23 LEU A 38 16.610 20.284 -3.414 1.00 13.44 H new ATOM 293 N GLU A 39 12.389 19.160 -6.343 1.00 10.54 N ATOM 294 CA GLU A 39 11.695 19.073 -7.622 1.00 43.42 C ATOM 295 C GLU A 39 12.320 20.018 -8.645 1.00 51.10 C ATOM 296 O GLU A 39 12.205 19.805 -9.852 1.00 4.53 O ATOM 297 CB GLU A 39 10.211 19.403 -7.447 1.00 5.13 C ATOM 298 CG GLU A 39 9.933 20.888 -7.284 1.00 30.12 C ATOM 299 CD GLU A 39 8.737 21.163 -6.393 1.00 21.22 C ATOM 300 OE1 GLU A 39 7.625 20.709 -6.737 1.00 4.15 O ATOM 301 OE2 GLU A 39 8.912 21.831 -5.353 1.00 5.31 O ATOM 0 H GLU A 39 11.787 19.384 -5.551 1.00 10.54 H new ATOM 0 HA GLU A 39 11.791 18.051 -7.989 1.00 43.42 H new ATOM 0 HB2 GLU A 39 9.660 19.032 -8.311 1.00 5.13 H new ATOM 0 HB3 GLU A 39 9.830 18.873 -6.574 1.00 5.13 H new ATOM 0 HG2 GLU A 39 10.813 21.375 -6.865 1.00 30.12 H new ATOM 0 HG3 GLU A 39 9.760 21.331 -8.265 1.00 30.12 H new ATOM 308 N GLN A 40 12.980 21.062 -8.152 1.00 74.55 N ATOM 309 CA GLN A 40 13.621 22.039 -9.023 1.00 41.53 C ATOM 310 C GLN A 40 14.640 21.368 -9.938 1.00 52.04 C ATOM 311 O GLN A 40 14.952 21.877 -11.015 1.00 62.12 O ATOM 312 CB GLN A 40 14.304 23.125 -8.190 1.00 40.30 C ATOM 313 CG GLN A 40 15.323 22.583 -7.201 1.00 62.42 C ATOM 314 CD GLN A 40 16.749 22.920 -7.589 1.00 4.13 C ATOM 315 OE1 GLN A 40 17.180 22.654 -8.711 1.00 75.33 O ATOM 316 NE2 GLN A 40 17.492 23.510 -6.659 1.00 52.22 N ATOM 0 H GLN A 40 13.084 21.252 -7.155 1.00 74.55 H new ATOM 0 HA GLN A 40 12.850 22.497 -9.643 1.00 41.53 H new ATOM 0 HB2 GLN A 40 14.799 23.828 -8.860 1.00 40.30 H new ATOM 0 HB3 GLN A 40 13.544 23.685 -7.645 1.00 40.30 H new ATOM 0 HG2 GLN A 40 15.114 22.989 -6.211 1.00 62.42 H new ATOM 0 HG3 GLN A 40 15.216 21.501 -7.131 1.00 62.42 H new ATOM 0 HE21 GLN A 40 17.095 23.712 -5.742 1.00 52.22 H new ATOM 0 HE22 GLN A 40 18.460 23.761 -6.862 1.00 52.22 H new ATOM 325 N TYR A 41 15.155 20.224 -9.503 1.00 33.40 N ATOM 326 CA TYR A 41 16.141 19.484 -10.282 1.00 34.23 C ATOM 327 C TYR A 41 15.482 18.772 -11.460 1.00 10.43 C ATOM 328 O TYR A 41 16.161 18.279 -12.360 1.00 10.12 O ATOM 329 CB TYR A 41 16.862 18.467 -9.396 1.00 21.40 C ATOM 330 CG TYR A 41 18.279 18.865 -9.047 1.00 75.51 C ATOM 331 CD1 TYR A 41 19.183 19.228 -10.038 1.00 13.03 C ATOM 332 CD2 TYR A 41 18.713 18.876 -7.728 1.00 10.15 C ATOM 333 CE1 TYR A 41 20.478 19.592 -9.724 1.00 20.31 C ATOM 334 CE2 TYR A 41 20.006 19.240 -7.404 1.00 71.34 C ATOM 335 CZ TYR A 41 20.885 19.596 -8.406 1.00 14.41 C ATOM 336 OH TYR A 41 22.174 19.958 -8.088 1.00 72.12 O ATOM 0 H TYR A 41 14.906 19.788 -8.615 1.00 33.40 H new ATOM 0 HA TYR A 41 16.868 20.197 -10.672 1.00 34.23 H new ATOM 0 HB2 TYR A 41 16.294 18.333 -8.475 1.00 21.40 H new ATOM 0 HB3 TYR A 41 16.879 17.503 -9.904 1.00 21.40 H new ATOM 0 HD1 TYR A 41 18.868 19.225 -11.071 1.00 13.03 H new ATOM 0 HD2 TYR A 41 18.028 18.595 -6.942 1.00 10.15 H new ATOM 0 HE1 TYR A 41 21.168 19.872 -10.506 1.00 20.31 H new ATOM 0 HE2 TYR A 41 20.327 19.246 -6.373 1.00 71.34 H new ATOM 0 HH TYR A 41 22.298 19.909 -7.117 1.00 72.12 H new ATOM 346 N ALA A 42 14.154 18.724 -11.446 1.00 51.51 N ATOM 347 CA ALA A 42 13.402 18.077 -12.513 1.00 71.44 C ATOM 348 C ALA A 42 13.675 18.741 -13.859 1.00 20.43 C ATOM 349 O ALA A 42 13.600 18.097 -14.906 1.00 3.43 O ATOM 350 CB ALA A 42 11.913 18.104 -12.202 1.00 11.23 C ATOM 0 H ALA A 42 13.577 19.126 -10.707 1.00 51.51 H new ATOM 0 HA ALA A 42 13.730 17.039 -12.576 1.00 71.44 H new ATOM 0 HB1 ALA A 42 11.364 17.617 -13.008 1.00 11.23 H new ATOM 0 HB2 ALA A 42 11.727 17.577 -11.266 1.00 11.23 H new ATOM 0 HB3 ALA A 42 11.579 19.138 -12.109 1.00 11.23 H new ATOM 356 N ASP A 43 13.991 20.030 -13.823 1.00 52.51 N ATOM 357 CA ASP A 43 14.276 20.782 -15.040 1.00 74.21 C ATOM 358 C ASP A 43 15.413 20.135 -15.825 1.00 35.33 C ATOM 359 O ASP A 43 15.208 19.615 -16.922 1.00 75.12 O ATOM 360 CB ASP A 43 14.634 22.229 -14.699 1.00 54.23 C ATOM 361 CG ASP A 43 15.361 22.928 -15.832 1.00 34.34 C ATOM 362 OD1 ASP A 43 14.695 23.313 -16.816 1.00 2.42 O ATOM 363 OD2 ASP A 43 16.595 23.089 -15.733 1.00 53.52 O ATOM 0 H ASP A 43 14.056 20.577 -12.964 1.00 52.51 H new ATOM 0 HA ASP A 43 13.380 20.774 -15.660 1.00 74.21 H new ATOM 0 HB2 ASP A 43 13.724 22.779 -14.461 1.00 54.23 H new ATOM 0 HB3 ASP A 43 15.259 22.245 -13.806 1.00 54.23 H new ATOM 368 N THR A 44 16.613 20.171 -15.255 1.00 64.34 N ATOM 369 CA THR A 44 17.784 19.590 -15.902 1.00 15.32 C ATOM 370 C THR A 44 17.540 18.132 -16.273 1.00 30.02 C ATOM 371 O THR A 44 18.063 17.640 -17.273 1.00 21.43 O ATOM 372 CB THR A 44 19.027 19.677 -14.996 1.00 54.13 C ATOM 373 OG1 THR A 44 20.149 19.071 -15.646 1.00 44.13 O ATOM 374 CG2 THR A 44 18.774 18.989 -13.663 1.00 50.51 C ATOM 0 H THR A 44 16.800 20.596 -14.347 1.00 64.34 H new ATOM 0 HA THR A 44 17.964 20.167 -16.809 1.00 15.32 H new ATOM 0 HB THR A 44 19.241 20.729 -14.809 1.00 54.13 H new ATOM 0 HG1 THR A 44 20.936 19.131 -15.065 1.00 44.13 H new ATOM 0 HG21 THR A 44 19.665 19.063 -13.040 1.00 50.51 H new ATOM 0 HG22 THR A 44 17.937 19.471 -13.158 1.00 50.51 H new ATOM 0 HG23 THR A 44 18.538 17.939 -13.835 1.00 50.51 H new ATOM 382 N PHE A 45 16.742 17.445 -15.462 1.00 1.22 N ATOM 383 CA PHE A 45 16.429 16.042 -15.705 1.00 62.11 C ATOM 384 C PHE A 45 15.643 15.877 -17.002 1.00 61.15 C ATOM 385 O PHE A 45 16.023 15.097 -17.876 1.00 32.21 O ATOM 386 CB PHE A 45 15.630 15.465 -14.535 1.00 2.14 C ATOM 387 CG PHE A 45 16.369 14.405 -13.769 1.00 3.33 C ATOM 388 CD1 PHE A 45 17.639 14.650 -13.271 1.00 11.23 C ATOM 389 CD2 PHE A 45 15.794 13.165 -13.546 1.00 64.53 C ATOM 390 CE1 PHE A 45 18.321 13.676 -12.566 1.00 44.44 C ATOM 391 CE2 PHE A 45 16.472 12.187 -12.842 1.00 71.23 C ATOM 392 CZ PHE A 45 17.737 12.444 -12.351 1.00 33.32 C ATOM 0 H PHE A 45 16.300 17.838 -14.631 1.00 1.22 H new ATOM 0 HA PHE A 45 17.369 15.497 -15.798 1.00 62.11 H new ATOM 0 HB2 PHE A 45 15.362 16.273 -13.855 1.00 2.14 H new ATOM 0 HB3 PHE A 45 14.698 15.045 -14.914 1.00 2.14 H new ATOM 0 HD1 PHE A 45 18.101 15.612 -13.436 1.00 11.23 H new ATOM 0 HD2 PHE A 45 14.804 12.959 -13.926 1.00 64.53 H new ATOM 0 HE1 PHE A 45 19.310 13.879 -12.184 1.00 44.44 H new ATOM 0 HE2 PHE A 45 16.013 11.224 -12.676 1.00 71.23 H new ATOM 0 HZ PHE A 45 18.268 11.682 -11.800 1.00 33.32 H new ATOM 402 N ARG A 46 14.545 16.617 -17.120 1.00 63.32 N ATOM 403 CA ARG A 46 13.704 16.552 -18.309 1.00 62.23 C ATOM 404 C ARG A 46 14.514 16.859 -19.566 1.00 11.25 C ATOM 405 O ARG A 46 14.403 16.161 -20.574 1.00 10.43 O ATOM 406 CB ARG A 46 12.537 17.534 -18.189 1.00 23.43 C ATOM 407 CG ARG A 46 11.634 17.263 -16.996 1.00 43.14 C ATOM 408 CD ARG A 46 11.001 18.544 -16.475 1.00 61.32 C ATOM 409 NE ARG A 46 9.619 18.337 -16.050 1.00 42.31 N ATOM 410 CZ ARG A 46 8.590 18.299 -16.889 1.00 61.42 C ATOM 411 NH1 ARG A 46 8.786 18.451 -18.192 1.00 3.15 N ATOM 412 NH2 ARG A 46 7.362 18.107 -16.426 1.00 34.41 N ATOM 0 H ARG A 46 14.217 17.268 -16.407 1.00 63.32 H new ATOM 0 HA ARG A 46 13.310 15.539 -18.390 1.00 62.23 H new ATOM 0 HB2 ARG A 46 12.932 18.547 -18.113 1.00 23.43 H new ATOM 0 HB3 ARG A 46 11.942 17.492 -19.101 1.00 23.43 H new ATOM 0 HG2 ARG A 46 10.852 16.560 -17.282 1.00 43.14 H new ATOM 0 HG3 ARG A 46 12.211 16.791 -16.201 1.00 43.14 H new ATOM 0 HD2 ARG A 46 11.586 18.922 -15.636 1.00 61.32 H new ATOM 0 HD3 ARG A 46 11.031 19.306 -17.254 1.00 61.32 H new ATOM 0 HE ARG A 46 9.434 18.215 -15.054 1.00 42.31 H new ATOM 0 HH11 ARG A 46 9.729 18.598 -18.552 1.00 3.15 H new ATOM 0 HH12 ARG A 46 7.994 18.421 -18.834 1.00 3.15 H new ATOM 0 HH21 ARG A 46 7.207 17.988 -15.425 1.00 34.41 H new ATOM 0 HH22 ARG A 46 6.572 18.078 -17.071 1.00 34.41 H new ATOM 426 N ARG A 47 15.327 17.908 -19.497 1.00 63.01 N ATOM 427 CA ARG A 47 16.154 18.309 -20.629 1.00 60.20 C ATOM 428 C ARG A 47 17.169 17.223 -20.972 1.00 64.32 C ATOM 429 O ARG A 47 17.756 17.226 -22.055 1.00 73.12 O ATOM 430 CB ARG A 47 16.879 19.620 -20.320 1.00 13.03 C ATOM 431 CG ARG A 47 17.264 20.410 -21.560 1.00 24.04 C ATOM 432 CD ARG A 47 16.069 21.144 -22.146 1.00 42.44 C ATOM 433 NE ARG A 47 16.371 21.727 -23.451 1.00 63.01 N ATOM 434 CZ ARG A 47 17.138 22.798 -23.618 1.00 5.54 C ATOM 435 NH1 ARG A 47 17.679 23.401 -22.567 1.00 73.13 N ATOM 436 NH2 ARG A 47 17.367 23.269 -24.837 1.00 1.30 N ATOM 0 H ARG A 47 15.431 18.495 -18.670 1.00 63.01 H new ATOM 0 HA ARG A 47 15.501 18.457 -21.489 1.00 60.20 H new ATOM 0 HB2 ARG A 47 16.240 20.239 -19.689 1.00 13.03 H new ATOM 0 HB3 ARG A 47 17.779 19.401 -19.745 1.00 13.03 H new ATOM 0 HG2 ARG A 47 18.045 21.127 -21.308 1.00 24.04 H new ATOM 0 HG3 ARG A 47 17.680 19.735 -22.308 1.00 24.04 H new ATOM 0 HD2 ARG A 47 15.231 20.454 -22.243 1.00 42.44 H new ATOM 0 HD3 ARG A 47 15.756 21.932 -21.461 1.00 42.44 H new ATOM 0 HE ARG A 47 15.971 21.287 -24.280 1.00 63.01 H new ATOM 0 HH11 ARG A 47 17.506 23.042 -21.628 1.00 73.13 H new ATOM 0 HH12 ARG A 47 18.268 24.224 -22.698 1.00 73.13 H new ATOM 0 HH21 ARG A 47 16.954 22.808 -25.648 1.00 1.30 H new ATOM 0 HH22 ARG A 47 17.956 24.092 -24.963 1.00 1.30 H new ATOM 450 N HIS A 48 17.373 16.295 -20.042 1.00 71.23 N ATOM 451 CA HIS A 48 18.317 15.202 -20.246 1.00 45.32 C ATOM 452 C HIS A 48 17.658 14.046 -20.992 1.00 42.12 C ATOM 453 O HIS A 48 18.316 13.072 -21.354 1.00 25.45 O ATOM 454 CB HIS A 48 18.862 14.714 -18.904 1.00 23.33 C ATOM 455 CG HIS A 48 20.353 14.572 -18.878 1.00 41.11 C ATOM 456 ND1 HIS A 48 20.992 13.415 -18.486 1.00 5.11 N ATOM 457 CD2 HIS A 48 21.331 15.450 -19.201 1.00 5.13 C ATOM 458 CE1 HIS A 48 22.300 13.588 -18.567 1.00 13.03 C ATOM 459 NE2 HIS A 48 22.532 14.814 -18.998 1.00 52.55 N ATOM 0 H HIS A 48 16.897 16.278 -19.140 1.00 71.23 H new ATOM 0 HA HIS A 48 19.143 15.577 -20.851 1.00 45.32 H new ATOM 0 HB2 HIS A 48 18.558 15.411 -18.123 1.00 23.33 H new ATOM 0 HB3 HIS A 48 18.410 13.751 -18.666 1.00 23.33 H new ATOM 0 HD2 HIS A 48 21.193 16.462 -19.553 1.00 5.13 H new ATOM 0 HE1 HIS A 48 23.051 12.852 -18.322 1.00 13.03 H new ATOM 0 HE2 HIS A 48 23.453 15.223 -19.155 1.00 52.55 H new ATOM 467 N GLY A 49 16.353 14.162 -21.219 1.00 21.32 N ATOM 468 CA GLY A 49 15.627 13.119 -21.919 1.00 74.15 C ATOM 469 C GLY A 49 14.887 12.192 -20.975 1.00 3.32 C ATOM 470 O GLY A 49 14.485 11.094 -21.359 1.00 73.53 O ATOM 0 H GLY A 49 15.786 14.959 -20.931 1.00 21.32 H new ATOM 0 HA2 GLY A 49 14.915 13.575 -22.607 1.00 74.15 H new ATOM 0 HA3 GLY A 49 16.324 12.537 -22.522 1.00 74.15 H new ATOM 474 N LEU A 50 14.709 12.634 -19.735 1.00 21.13 N ATOM 475 CA LEU A 50 14.014 11.835 -18.731 1.00 3.53 C ATOM 476 C LEU A 50 13.090 12.707 -17.886 1.00 71.33 C ATOM 477 O LEU A 50 13.515 13.305 -16.899 1.00 5.03 O ATOM 478 CB LEU A 50 15.024 11.121 -17.830 1.00 51.33 C ATOM 479 CG LEU A 50 16.368 11.826 -17.638 1.00 75.51 C ATOM 480 CD1 LEU A 50 16.832 11.704 -16.195 1.00 64.12 C ATOM 481 CD2 LEU A 50 17.411 11.252 -18.587 1.00 15.45 C ATOM 0 H LEU A 50 15.036 13.540 -19.401 1.00 21.13 H new ATOM 0 HA LEU A 50 13.409 11.091 -19.249 1.00 3.53 H new ATOM 0 HB2 LEU A 50 14.569 10.977 -16.850 1.00 51.33 H new ATOM 0 HB3 LEU A 50 15.212 10.130 -18.243 1.00 51.33 H new ATOM 0 HG LEU A 50 16.239 12.884 -17.868 1.00 75.51 H new ATOM 0 HD11 LEU A 50 17.790 12.211 -16.077 1.00 64.12 H new ATOM 0 HD12 LEU A 50 16.095 12.162 -15.536 1.00 64.12 H new ATOM 0 HD13 LEU A 50 16.945 10.651 -15.937 1.00 64.12 H new ATOM 0 HD21 LEU A 50 18.361 11.765 -18.437 1.00 15.45 H new ATOM 0 HD22 LEU A 50 17.538 10.188 -18.388 1.00 15.45 H new ATOM 0 HD23 LEU A 50 17.082 11.392 -19.617 1.00 15.45 H new ATOM 493 N ALA A 51 11.822 12.771 -18.281 1.00 5.41 N ATOM 494 CA ALA A 51 10.837 13.566 -17.558 1.00 71.31 C ATOM 495 C ALA A 51 10.077 12.712 -16.549 1.00 23.24 C ATOM 496 O ALA A 51 9.074 13.146 -15.981 1.00 42.44 O ATOM 497 CB ALA A 51 9.869 14.220 -18.533 1.00 2.33 C ATOM 0 H ALA A 51 11.453 12.282 -19.097 1.00 5.41 H new ATOM 0 HA ALA A 51 11.366 14.345 -17.010 1.00 71.31 H new ATOM 0 HB1 ALA A 51 9.139 14.811 -17.980 1.00 2.33 H new ATOM 0 HB2 ALA A 51 10.421 14.869 -19.213 1.00 2.33 H new ATOM 0 HB3 ALA A 51 9.353 13.449 -19.106 1.00 2.33 H new ATOM 503 N THR A 52 10.561 11.493 -16.328 1.00 51.13 N ATOM 504 CA THR A 52 9.926 10.577 -15.389 1.00 5.44 C ATOM 505 C THR A 52 10.964 9.732 -14.659 1.00 2.32 C ATOM 506 O THR A 52 12.060 9.501 -15.169 1.00 2.34 O ATOM 507 CB THR A 52 8.929 9.644 -16.100 1.00 62.23 C ATOM 508 OG1 THR A 52 9.621 8.809 -17.036 1.00 3.42 O ATOM 509 CG2 THR A 52 7.859 10.446 -16.824 1.00 53.42 C ATOM 0 H THR A 52 11.391 11.118 -16.787 1.00 51.13 H new ATOM 0 HA THR A 52 9.386 11.189 -14.667 1.00 5.44 H new ATOM 0 HB THR A 52 8.447 9.022 -15.346 1.00 62.23 H new ATOM 0 HG1 THR A 52 8.980 8.217 -17.483 1.00 3.42 H new ATOM 0 HG21 THR A 52 7.166 9.765 -17.319 1.00 53.42 H new ATOM 0 HG22 THR A 52 7.315 11.058 -16.105 1.00 53.42 H new ATOM 0 HG23 THR A 52 8.328 11.090 -17.568 1.00 53.42 H new ATOM 517 N ALA A 53 10.611 9.273 -13.463 1.00 23.32 N ATOM 518 CA ALA A 53 11.512 8.450 -12.664 1.00 53.42 C ATOM 519 C ALA A 53 11.847 7.147 -13.382 1.00 11.32 C ATOM 520 O ALA A 53 12.894 6.547 -13.142 1.00 75.24 O ATOM 521 CB ALA A 53 10.896 8.162 -11.303 1.00 52.31 C ATOM 0 H ALA A 53 9.708 9.457 -13.026 1.00 23.32 H new ATOM 0 HA ALA A 53 12.440 9.004 -12.521 1.00 53.42 H new ATOM 0 HB1 ALA A 53 11.579 7.547 -10.717 1.00 52.31 H new ATOM 0 HB2 ALA A 53 10.714 9.101 -10.780 1.00 52.31 H new ATOM 0 HB3 ALA A 53 9.953 7.632 -11.435 1.00 52.31 H new ATOM 527 N GLY A 54 10.950 6.715 -14.263 1.00 62.32 N ATOM 528 CA GLY A 54 11.169 5.485 -15.001 1.00 63.45 C ATOM 529 C GLY A 54 12.149 5.661 -16.145 1.00 14.22 C ATOM 530 O GLY A 54 12.653 4.683 -16.695 1.00 41.25 O ATOM 0 H GLY A 54 10.076 7.195 -14.479 1.00 62.32 H new ATOM 0 HA2 GLY A 54 11.542 4.719 -14.321 1.00 63.45 H new ATOM 0 HA3 GLY A 54 10.218 5.126 -15.394 1.00 63.45 H new ATOM 534 N ALA A 55 12.417 6.912 -16.504 1.00 1.30 N ATOM 535 CA ALA A 55 13.343 7.214 -17.589 1.00 74.30 C ATOM 536 C ALA A 55 14.718 7.589 -17.049 1.00 2.52 C ATOM 537 O ALA A 55 15.637 7.880 -17.813 1.00 44.45 O ATOM 538 CB ALA A 55 12.790 8.334 -18.458 1.00 5.23 C ATOM 0 H ALA A 55 12.006 7.733 -16.059 1.00 1.30 H new ATOM 0 HA ALA A 55 13.454 6.318 -18.199 1.00 74.30 H new ATOM 0 HB1 ALA A 55 13.491 8.549 -19.264 1.00 5.23 H new ATOM 0 HB2 ALA A 55 11.834 8.027 -18.881 1.00 5.23 H new ATOM 0 HB3 ALA A 55 12.648 9.229 -17.852 1.00 5.23 H new ATOM 544 N ALA A 56 14.852 7.582 -15.727 1.00 31.24 N ATOM 545 CA ALA A 56 16.116 7.921 -15.085 1.00 31.44 C ATOM 546 C ALA A 56 16.561 6.816 -14.132 1.00 11.54 C ATOM 547 O ALA A 56 17.619 6.910 -13.509 1.00 60.12 O ATOM 548 CB ALA A 56 15.993 9.243 -14.342 1.00 41.25 C ATOM 0 H ALA A 56 14.100 7.345 -15.079 1.00 31.24 H new ATOM 0 HA ALA A 56 16.874 8.023 -15.862 1.00 31.44 H new ATOM 0 HB1 ALA A 56 16.944 9.484 -13.867 1.00 41.25 H new ATOM 0 HB2 ALA A 56 15.729 10.032 -15.045 1.00 41.25 H new ATOM 0 HB3 ALA A 56 15.218 9.161 -13.580 1.00 41.25 H new ATOM 554 N ARG A 57 15.746 5.772 -14.022 1.00 4.12 N ATOM 555 CA ARG A 57 16.056 4.651 -13.143 1.00 31.12 C ATOM 556 C ARG A 57 17.436 4.080 -13.455 1.00 3.43 C ATOM 557 O ARG A 57 18.088 3.497 -12.590 1.00 2.24 O ATOM 558 CB ARG A 57 14.996 3.557 -13.284 1.00 62.32 C ATOM 559 CG ARG A 57 13.893 3.639 -12.242 1.00 21.22 C ATOM 560 CD ARG A 57 13.641 2.288 -11.590 1.00 54.13 C ATOM 561 NE ARG A 57 13.137 1.305 -12.546 1.00 3.02 N ATOM 562 CZ ARG A 57 11.879 1.269 -12.969 1.00 34.34 C ATOM 563 NH1 ARG A 57 11.000 2.156 -12.523 1.00 2.30 N ATOM 564 NH2 ARG A 57 11.496 0.343 -13.840 1.00 4.45 N ATOM 0 H ARG A 57 14.867 5.679 -14.530 1.00 4.12 H new ATOM 0 HA ARG A 57 16.057 5.017 -12.116 1.00 31.12 H new ATOM 0 HB2 ARG A 57 14.551 3.620 -14.277 1.00 62.32 H new ATOM 0 HB3 ARG A 57 15.480 2.583 -13.213 1.00 62.32 H new ATOM 0 HG2 ARG A 57 14.166 4.368 -11.478 1.00 21.22 H new ATOM 0 HG3 ARG A 57 12.975 3.996 -12.709 1.00 21.22 H new ATOM 0 HD2 ARG A 57 14.567 1.921 -11.147 1.00 54.13 H new ATOM 0 HD3 ARG A 57 12.923 2.405 -10.778 1.00 54.13 H new ATOM 0 HE ARG A 57 13.787 0.608 -12.908 1.00 3.02 H new ATOM 0 HH11 ARG A 57 11.290 2.869 -11.853 1.00 2.30 H new ATOM 0 HH12 ARG A 57 10.034 2.126 -12.850 1.00 2.30 H new ATOM 0 HH21 ARG A 57 12.169 -0.342 -14.185 1.00 4.45 H new ATOM 0 HH22 ARG A 57 10.529 0.316 -14.164 1.00 4.45 H new ATOM 578 N GLY A 58 17.875 4.253 -14.698 1.00 23.30 N ATOM 579 CA GLY A 58 19.175 3.749 -15.102 1.00 52.03 C ATOM 580 C GLY A 58 20.315 4.600 -14.579 1.00 71.01 C ATOM 581 O GLY A 58 21.368 4.080 -14.208 1.00 0.03 O ATOM 0 H GLY A 58 17.354 4.733 -15.432 1.00 23.30 H new ATOM 0 HA2 GLY A 58 19.293 2.727 -14.741 1.00 52.03 H new ATOM 0 HA3 GLY A 58 19.224 3.710 -16.190 1.00 52.03 H new ATOM 585 N LEU A 59 20.107 5.912 -14.551 1.00 21.34 N ATOM 586 CA LEU A 59 21.127 6.838 -14.070 1.00 70.34 C ATOM 587 C LEU A 59 21.644 6.415 -12.699 1.00 11.00 C ATOM 588 O LEU A 59 20.893 5.895 -11.875 1.00 23.14 O ATOM 589 CB LEU A 59 20.562 8.258 -14.000 1.00 22.52 C ATOM 590 CG LEU A 59 20.818 9.143 -15.220 1.00 11.01 C ATOM 591 CD1 LEU A 59 19.552 9.285 -16.051 1.00 63.01 C ATOM 592 CD2 LEU A 59 21.331 10.509 -14.789 1.00 43.21 C ATOM 0 H LEU A 59 19.242 6.358 -14.855 1.00 21.34 H new ATOM 0 HA LEU A 59 21.960 6.819 -14.773 1.00 70.34 H new ATOM 0 HB2 LEU A 59 19.485 8.192 -13.844 1.00 22.52 H new ATOM 0 HB3 LEU A 59 20.982 8.752 -13.123 1.00 22.52 H new ATOM 0 HG LEU A 59 21.581 8.668 -15.836 1.00 11.01 H new ATOM 0 HD11 LEU A 59 19.753 9.918 -16.915 1.00 63.01 H new ATOM 0 HD12 LEU A 59 19.227 8.301 -16.390 1.00 63.01 H new ATOM 0 HD13 LEU A 59 18.767 9.737 -15.444 1.00 63.01 H new ATOM 0 HD21 LEU A 59 21.508 11.126 -15.670 1.00 43.21 H new ATOM 0 HD22 LEU A 59 20.590 10.991 -14.151 1.00 43.21 H new ATOM 0 HD23 LEU A 59 22.263 10.390 -14.236 1.00 43.21 H new ATOM 604 N GLY A 60 22.932 6.644 -12.461 1.00 51.40 N ATOM 605 CA GLY A 60 23.527 6.283 -11.188 1.00 13.25 C ATOM 606 C GLY A 60 24.170 7.466 -10.492 1.00 13.43 C ATOM 607 O GLY A 60 23.803 8.616 -10.739 1.00 63.20 O ATOM 0 H GLY A 60 23.574 7.073 -13.127 1.00 51.40 H new ATOM 0 HA2 GLY A 60 22.761 5.857 -10.540 1.00 13.25 H new ATOM 0 HA3 GLY A 60 24.277 5.508 -11.348 1.00 13.25 H new ATOM 611 N HIS A 61 25.131 7.186 -9.617 1.00 52.11 N ATOM 612 CA HIS A 61 25.826 8.237 -8.882 1.00 33.21 C ATOM 613 C HIS A 61 26.812 8.971 -9.785 1.00 61.24 C ATOM 614 O HIS A 61 26.716 10.184 -9.967 1.00 64.01 O ATOM 615 CB HIS A 61 26.561 7.646 -7.679 1.00 31.23 C ATOM 616 CG HIS A 61 26.040 8.131 -6.361 1.00 0.01 C ATOM 617 ND1 HIS A 61 25.738 9.453 -6.112 1.00 3.23 N ATOM 618 CD2 HIS A 61 25.766 7.462 -5.217 1.00 31.03 C ATOM 619 CE1 HIS A 61 25.303 9.577 -4.871 1.00 32.23 C ATOM 620 NE2 HIS A 61 25.309 8.383 -4.306 1.00 24.21 N ATOM 0 H HIS A 61 25.446 6.240 -9.400 1.00 52.11 H new ATOM 0 HA HIS A 61 25.083 8.952 -8.529 1.00 33.21 H new ATOM 0 HB2 HIS A 61 26.483 6.559 -7.714 1.00 31.23 H new ATOM 0 HB3 HIS A 61 27.620 7.892 -7.754 1.00 31.23 H new ATOM 0 HD2 HIS A 61 25.885 6.401 -5.051 1.00 31.03 H new ATOM 0 HE1 HIS A 61 24.995 10.498 -4.399 1.00 32.23 H new ATOM 0 HE2 HIS A 61 25.021 8.178 -3.349 1.00 24.21 H new ATOM 628 N GLU A 62 27.759 8.226 -10.348 1.00 11.30 N ATOM 629 CA GLU A 62 28.763 8.808 -11.231 1.00 22.21 C ATOM 630 C GLU A 62 28.105 9.616 -12.346 1.00 21.13 C ATOM 631 O GLU A 62 28.687 10.571 -12.860 1.00 33.42 O ATOM 632 CB GLU A 62 29.643 7.710 -11.833 1.00 35.22 C ATOM 633 CG GLU A 62 31.132 7.973 -11.684 1.00 73.23 C ATOM 634 CD GLU A 62 31.646 8.992 -12.682 1.00 4.32 C ATOM 635 OE1 GLU A 62 31.335 8.855 -13.884 1.00 22.14 O ATOM 636 OE2 GLU A 62 32.360 9.927 -12.261 1.00 71.24 O ATOM 0 H GLU A 62 27.852 7.220 -10.208 1.00 11.30 H new ATOM 0 HA GLU A 62 29.385 9.479 -10.639 1.00 22.21 H new ATOM 0 HB2 GLU A 62 29.401 6.760 -11.356 1.00 35.22 H new ATOM 0 HB3 GLU A 62 29.405 7.605 -12.892 1.00 35.22 H new ATOM 0 HG2 GLU A 62 31.336 8.325 -10.673 1.00 73.23 H new ATOM 0 HG3 GLU A 62 31.677 7.038 -11.812 1.00 73.23 H new ATOM 643 N GLU A 63 26.889 9.225 -12.714 1.00 20.44 N ATOM 644 CA GLU A 63 26.153 9.912 -13.768 1.00 73.31 C ATOM 645 C GLU A 63 25.530 11.203 -13.245 1.00 25.03 C ATOM 646 O GLU A 63 25.455 12.203 -13.959 1.00 53.35 O ATOM 647 CB GLU A 63 25.062 9.001 -14.336 1.00 23.20 C ATOM 648 CG GLU A 63 24.329 9.598 -15.525 1.00 60.44 C ATOM 649 CD GLU A 63 25.244 9.848 -16.709 1.00 14.44 C ATOM 650 OE1 GLU A 63 25.760 8.865 -17.279 1.00 5.13 O ATOM 651 OE2 GLU A 63 25.442 11.029 -17.064 1.00 40.14 O ATOM 0 H GLU A 63 26.393 8.437 -12.298 1.00 20.44 H new ATOM 0 HA GLU A 63 26.857 10.164 -14.561 1.00 73.31 H new ATOM 0 HB2 GLU A 63 25.511 8.054 -14.635 1.00 23.20 H new ATOM 0 HB3 GLU A 63 24.341 8.778 -13.550 1.00 23.20 H new ATOM 0 HG2 GLU A 63 23.526 8.926 -15.827 1.00 60.44 H new ATOM 0 HG3 GLU A 63 23.863 10.537 -15.226 1.00 60.44 H new ATOM 658 N LEU A 64 25.086 11.173 -11.993 1.00 51.53 N ATOM 659 CA LEU A 64 24.469 12.341 -11.373 1.00 23.14 C ATOM 660 C LEU A 64 25.494 13.451 -11.163 1.00 21.04 C ATOM 661 O LEU A 64 25.164 14.636 -11.223 1.00 33.52 O ATOM 662 CB LEU A 64 23.835 11.957 -10.035 1.00 24.54 C ATOM 663 CG LEU A 64 22.398 11.438 -10.097 1.00 1.40 C ATOM 664 CD1 LEU A 64 21.914 11.039 -8.712 1.00 1.13 C ATOM 665 CD2 LEU A 64 21.479 12.488 -10.703 1.00 54.52 C ATOM 0 H LEU A 64 25.142 10.354 -11.388 1.00 51.53 H new ATOM 0 HA LEU A 64 23.693 12.710 -12.043 1.00 23.14 H new ATOM 0 HB2 LEU A 64 24.456 11.193 -9.568 1.00 24.54 H new ATOM 0 HB3 LEU A 64 23.857 12.829 -9.382 1.00 24.54 H new ATOM 0 HG LEU A 64 22.378 10.554 -10.734 1.00 1.40 H new ATOM 0 HD11 LEU A 64 20.890 10.672 -8.776 1.00 1.13 H new ATOM 0 HD12 LEU A 64 22.556 10.253 -8.314 1.00 1.13 H new ATOM 0 HD13 LEU A 64 21.949 11.905 -8.051 1.00 1.13 H new ATOM 0 HD21 LEU A 64 20.460 12.102 -10.740 1.00 54.52 H new ATOM 0 HD22 LEU A 64 21.504 13.390 -10.091 1.00 54.52 H new ATOM 0 HD23 LEU A 64 21.814 12.725 -11.713 1.00 54.52 H new ATOM 677 N LYS A 65 26.740 13.060 -10.918 1.00 2.11 N ATOM 678 CA LYS A 65 27.816 14.021 -10.702 1.00 74.04 C ATOM 679 C LYS A 65 28.042 14.872 -11.948 1.00 2.34 C ATOM 680 O LYS A 65 28.276 16.077 -11.852 1.00 60.31 O ATOM 681 CB LYS A 65 29.109 13.294 -10.326 1.00 52.32 C ATOM 682 CG LYS A 65 29.028 12.556 -9.001 1.00 43.02 C ATOM 683 CD LYS A 65 30.410 12.241 -8.453 1.00 42.15 C ATOM 684 CE LYS A 65 30.468 10.843 -7.858 1.00 23.20 C ATOM 685 NZ LYS A 65 31.499 10.738 -6.789 1.00 24.33 N ATOM 0 H LYS A 65 27.030 12.084 -10.864 1.00 2.11 H new ATOM 0 HA LYS A 65 27.525 14.678 -9.882 1.00 74.04 H new ATOM 0 HB2 LYS A 65 29.359 12.583 -11.114 1.00 52.32 H new ATOM 0 HB3 LYS A 65 29.923 14.018 -10.280 1.00 52.32 H new ATOM 0 HG2 LYS A 65 28.479 13.161 -8.280 1.00 43.02 H new ATOM 0 HG3 LYS A 65 28.468 11.630 -9.133 1.00 43.02 H new ATOM 0 HD2 LYS A 65 31.148 12.329 -9.251 1.00 42.15 H new ATOM 0 HD3 LYS A 65 30.676 12.973 -7.691 1.00 42.15 H new ATOM 0 HE2 LYS A 65 29.492 10.582 -7.448 1.00 23.20 H new ATOM 0 HE3 LYS A 65 30.687 10.122 -8.646 1.00 23.20 H new ATOM 0 HZ1 LYS A 65 31.507 9.770 -6.409 1.00 24.33 H new ATOM 0 HZ2 LYS A 65 32.434 10.962 -7.185 1.00 24.33 H new ATOM 0 HZ3 LYS A 65 31.277 11.408 -6.025 1.00 24.33 H new ATOM 699 N GLN A 66 27.970 14.238 -13.114 1.00 13.44 N ATOM 700 CA GLN A 66 28.166 14.939 -14.377 1.00 44.10 C ATOM 701 C GLN A 66 26.877 15.614 -14.832 1.00 14.24 C ATOM 702 O GLN A 66 26.884 16.441 -15.745 1.00 65.40 O ATOM 703 CB GLN A 66 28.654 13.967 -15.453 1.00 10.30 C ATOM 704 CG GLN A 66 30.149 14.050 -15.715 1.00 22.43 C ATOM 705 CD GLN A 66 30.898 12.834 -15.207 1.00 24.44 C ATOM 706 OE1 GLN A 66 30.443 11.700 -15.362 1.00 64.01 O ATOM 707 NE2 GLN A 66 32.054 13.063 -14.595 1.00 5.11 N ATOM 0 H GLN A 66 27.778 13.241 -13.210 1.00 13.44 H new ATOM 0 HA GLN A 66 28.922 15.709 -14.222 1.00 44.10 H new ATOM 0 HB2 GLN A 66 28.402 12.950 -15.153 1.00 10.30 H new ATOM 0 HB3 GLN A 66 28.119 14.167 -16.381 1.00 10.30 H new ATOM 0 HG2 GLN A 66 30.321 14.157 -16.786 1.00 22.43 H new ATOM 0 HG3 GLN A 66 30.549 14.944 -15.237 1.00 22.43 H new ATOM 0 HE21 GLN A 66 32.394 14.019 -14.488 1.00 5.11 H new ATOM 0 HE22 GLN A 66 32.602 12.283 -14.232 1.00 5.11 H new ATOM 716 N LEU A 67 25.770 15.257 -14.189 1.00 51.24 N ATOM 717 CA LEU A 67 24.471 15.828 -14.528 1.00 11.41 C ATOM 718 C LEU A 67 24.381 17.283 -14.077 1.00 65.21 C ATOM 719 O LEU A 67 23.593 18.062 -14.611 1.00 71.41 O ATOM 720 CB LEU A 67 23.349 15.013 -13.883 1.00 23.35 C ATOM 721 CG LEU A 67 22.404 14.293 -14.845 1.00 34.02 C ATOM 722 CD1 LEU A 67 21.274 13.621 -14.080 1.00 72.12 C ATOM 723 CD2 LEU A 67 21.848 15.266 -15.874 1.00 43.24 C ATOM 0 H LEU A 67 25.746 14.575 -13.431 1.00 51.24 H new ATOM 0 HA LEU A 67 24.359 15.795 -15.612 1.00 11.41 H new ATOM 0 HB2 LEU A 67 23.799 14.271 -13.224 1.00 23.35 H new ATOM 0 HB3 LEU A 67 22.758 15.680 -13.255 1.00 23.35 H new ATOM 0 HG LEU A 67 22.969 13.523 -15.370 1.00 34.02 H new ATOM 0 HD11 LEU A 67 20.611 13.114 -14.781 1.00 72.12 H new ATOM 0 HD12 LEU A 67 21.689 12.894 -13.382 1.00 72.12 H new ATOM 0 HD13 LEU A 67 20.711 14.373 -13.528 1.00 72.12 H new ATOM 0 HD21 LEU A 67 21.177 14.736 -16.551 1.00 43.24 H new ATOM 0 HD22 LEU A 67 21.299 16.059 -15.366 1.00 43.24 H new ATOM 0 HD23 LEU A 67 22.669 15.701 -16.444 1.00 43.24 H new ATOM 735 N GLY A 68 25.198 17.643 -13.091 1.00 73.11 N ATOM 736 CA GLY A 68 25.196 19.004 -12.587 1.00 24.44 C ATOM 737 C GLY A 68 24.820 19.078 -11.120 1.00 64.10 C ATOM 738 O GLY A 68 24.432 20.136 -10.625 1.00 5.41 O ATOM 0 H GLY A 68 25.860 17.017 -12.633 1.00 73.11 H new ATOM 0 HA2 GLY A 68 26.184 19.442 -12.728 1.00 24.44 H new ATOM 0 HA3 GLY A 68 24.496 19.603 -13.169 1.00 24.44 H new ATOM 742 N ILE A 69 24.934 17.952 -10.424 1.00 74.41 N ATOM 743 CA ILE A 69 24.602 17.894 -9.006 1.00 32.10 C ATOM 744 C ILE A 69 25.862 17.875 -8.147 1.00 73.30 C ATOM 745 O ILE A 69 26.537 16.851 -8.041 1.00 4.31 O ATOM 746 CB ILE A 69 23.751 16.653 -8.677 1.00 13.21 C ATOM 747 CG1 ILE A 69 22.550 16.567 -9.621 1.00 33.31 C ATOM 748 CG2 ILE A 69 23.290 16.696 -7.228 1.00 1.14 C ATOM 749 CD1 ILE A 69 21.647 15.385 -9.344 1.00 21.04 C ATOM 0 H ILE A 69 25.254 17.068 -10.819 1.00 74.41 H new ATOM 0 HA ILE A 69 24.024 18.790 -8.780 1.00 32.10 H new ATOM 0 HB ILE A 69 24.364 15.763 -8.817 1.00 13.21 H new ATOM 0 HG12 ILE A 69 21.968 17.485 -9.540 1.00 33.31 H new ATOM 0 HG13 ILE A 69 22.909 16.507 -10.648 1.00 33.31 H new ATOM 0 HG21 ILE A 69 22.690 15.812 -7.011 1.00 1.14 H new ATOM 0 HG22 ILE A 69 24.159 16.715 -6.570 1.00 1.14 H new ATOM 0 HG23 ILE A 69 22.690 17.591 -7.063 1.00 1.14 H new ATOM 0 HD11 ILE A 69 20.817 15.388 -10.051 1.00 21.04 H new ATOM 0 HD12 ILE A 69 22.214 14.461 -9.453 1.00 21.04 H new ATOM 0 HD13 ILE A 69 21.258 15.454 -8.328 1.00 21.04 H new ATOM 761 N SER A 70 26.171 19.013 -7.534 1.00 72.20 N ATOM 762 CA SER A 70 27.351 19.128 -6.685 1.00 71.22 C ATOM 763 C SER A 70 26.998 18.860 -5.225 1.00 61.22 C ATOM 764 O SER A 70 27.853 18.471 -4.430 1.00 71.21 O ATOM 765 CB SER A 70 27.972 20.519 -6.825 1.00 12.15 C ATOM 766 OG SER A 70 27.900 20.978 -8.163 1.00 72.13 O ATOM 0 H SER A 70 25.621 19.868 -7.609 1.00 72.20 H new ATOM 0 HA SER A 70 28.075 18.380 -7.008 1.00 71.22 H new ATOM 0 HB2 SER A 70 27.455 21.219 -6.169 1.00 12.15 H new ATOM 0 HB3 SER A 70 29.013 20.490 -6.503 1.00 12.15 H new ATOM 0 HG SER A 70 28.302 21.870 -8.225 1.00 72.13 H new ATOM 772 N ALA A 71 25.732 19.071 -4.881 1.00 1.34 N ATOM 773 CA ALA A 71 25.264 18.851 -3.518 1.00 4.12 C ATOM 774 C ALA A 71 25.227 17.364 -3.184 1.00 31.33 C ATOM 775 O ALA A 71 24.256 16.671 -3.492 1.00 1.32 O ATOM 776 CB ALA A 71 23.889 19.472 -3.325 1.00 52.11 C ATOM 0 H ALA A 71 25.012 19.394 -5.527 1.00 1.34 H new ATOM 0 HA ALA A 71 25.966 19.332 -2.837 1.00 4.12 H new ATOM 0 HB1 ALA A 71 23.552 19.300 -2.303 1.00 52.11 H new ATOM 0 HB2 ALA A 71 23.944 20.544 -3.513 1.00 52.11 H new ATOM 0 HB3 ALA A 71 23.184 19.018 -4.021 1.00 52.11 H new ATOM 782 N THR A 72 26.290 16.877 -2.552 1.00 65.30 N ATOM 783 CA THR A 72 26.380 15.471 -2.178 1.00 31.11 C ATOM 784 C THR A 72 25.139 15.026 -1.413 1.00 20.42 C ATOM 785 O THR A 72 24.523 14.014 -1.745 1.00 55.21 O ATOM 786 CB THR A 72 27.627 15.197 -1.316 1.00 14.34 C ATOM 787 OG1 THR A 72 28.742 15.942 -1.817 1.00 63.43 O ATOM 788 CG2 THR A 72 27.963 13.714 -1.306 1.00 61.22 C ATOM 0 H THR A 72 27.101 17.436 -2.288 1.00 65.30 H new ATOM 0 HA THR A 72 26.456 14.902 -3.104 1.00 31.11 H new ATOM 0 HB THR A 72 27.412 15.510 -0.294 1.00 14.34 H new ATOM 0 HG1 THR A 72 29.530 15.764 -1.263 1.00 63.43 H new ATOM 0 HG21 THR A 72 28.847 13.545 -0.691 1.00 61.22 H new ATOM 0 HG22 THR A 72 27.123 13.153 -0.896 1.00 61.22 H new ATOM 0 HG23 THR A 72 28.160 13.379 -2.324 1.00 61.22 H new ATOM 796 N GLY A 73 24.777 15.788 -0.386 1.00 0.44 N ATOM 797 CA GLY A 73 23.610 15.456 0.411 1.00 61.25 C ATOM 798 C GLY A 73 22.347 15.362 -0.423 1.00 24.23 C ATOM 799 O GLY A 73 21.406 14.656 -0.059 1.00 61.34 O ATOM 0 H GLY A 73 25.271 16.630 -0.091 1.00 0.44 H new ATOM 0 HA2 GLY A 73 23.778 14.506 0.918 1.00 61.25 H new ATOM 0 HA3 GLY A 73 23.475 16.211 1.185 1.00 61.25 H new ATOM 803 N HIS A 74 22.325 16.077 -1.543 1.00 71.32 N ATOM 804 CA HIS A 74 21.167 16.072 -2.430 1.00 60.32 C ATOM 805 C HIS A 74 21.198 14.861 -3.358 1.00 25.22 C ATOM 806 O HIS A 74 20.196 14.165 -3.520 1.00 52.24 O ATOM 807 CB HIS A 74 21.124 17.359 -3.254 1.00 73.11 C ATOM 808 CG HIS A 74 20.945 18.594 -2.426 1.00 44.33 C ATOM 809 ND1 HIS A 74 20.836 19.856 -2.971 1.00 51.24 N ATOM 810 CD2 HIS A 74 20.856 18.756 -1.085 1.00 51.24 C ATOM 811 CE1 HIS A 74 20.689 20.741 -2.002 1.00 34.05 C ATOM 812 NE2 HIS A 74 20.697 20.099 -0.847 1.00 51.21 N ATOM 0 H HIS A 74 23.095 16.667 -1.858 1.00 71.32 H new ATOM 0 HA HIS A 74 20.269 16.013 -1.814 1.00 60.32 H new ATOM 0 HB2 HIS A 74 22.048 17.446 -3.826 1.00 73.11 H new ATOM 0 HB3 HIS A 74 20.308 17.293 -3.974 1.00 73.11 H new ATOM 0 HD2 HIS A 74 20.902 17.975 -0.341 1.00 51.24 H new ATOM 0 HE1 HIS A 74 20.581 21.808 -2.131 1.00 34.05 H new ATOM 0 HE2 HIS A 74 20.601 20.531 0.072 1.00 51.21 H new ATOM 820 N ARG A 75 22.356 14.616 -3.964 1.00 34.42 N ATOM 821 CA ARG A 75 22.517 13.490 -4.877 1.00 14.25 C ATOM 822 C ARG A 75 22.133 12.179 -4.196 1.00 55.43 C ATOM 823 O ARG A 75 21.350 11.395 -4.733 1.00 30.32 O ATOM 824 CB ARG A 75 23.960 13.414 -5.376 1.00 64.13 C ATOM 825 CG ARG A 75 24.142 12.499 -6.577 1.00 12.43 C ATOM 826 CD ARG A 75 25.514 12.674 -7.208 1.00 4.13 C ATOM 827 NE ARG A 75 26.590 12.500 -6.235 1.00 50.23 N ATOM 828 CZ ARG A 75 27.143 13.504 -5.563 1.00 53.15 C ATOM 829 NH1 ARG A 75 26.723 14.747 -5.757 1.00 71.35 N ATOM 830 NH2 ARG A 75 28.117 13.266 -4.695 1.00 63.10 N ATOM 0 H ARG A 75 23.196 15.182 -3.839 1.00 34.42 H new ATOM 0 HA ARG A 75 21.853 13.646 -5.727 1.00 14.25 H new ATOM 0 HB2 ARG A 75 24.298 14.416 -5.639 1.00 64.13 H new ATOM 0 HB3 ARG A 75 24.598 13.065 -4.564 1.00 64.13 H new ATOM 0 HG2 ARG A 75 24.012 11.462 -6.268 1.00 12.43 H new ATOM 0 HG3 ARG A 75 23.370 12.711 -7.317 1.00 12.43 H new ATOM 0 HD2 ARG A 75 25.636 11.953 -8.016 1.00 4.13 H new ATOM 0 HD3 ARG A 75 25.585 13.667 -7.653 1.00 4.13 H new ATOM 0 HE ARG A 75 26.936 11.556 -6.062 1.00 50.23 H new ATOM 0 HH11 ARG A 75 25.974 14.934 -6.423 1.00 71.35 H new ATOM 0 HH12 ARG A 75 27.149 15.516 -5.240 1.00 71.35 H new ATOM 0 HH21 ARG A 75 28.442 12.311 -4.543 1.00 63.10 H new ATOM 0 HH22 ARG A 75 28.541 14.038 -4.180 1.00 63.10 H new ATOM 844 N LYS A 76 22.689 11.948 -3.012 1.00 52.20 N ATOM 845 CA LYS A 76 22.405 10.734 -2.257 1.00 22.41 C ATOM 846 C LYS A 76 20.948 10.700 -1.809 1.00 34.45 C ATOM 847 O LYS A 76 20.427 9.647 -1.438 1.00 11.42 O ATOM 848 CB LYS A 76 23.327 10.639 -1.039 1.00 32.21 C ATOM 849 CG LYS A 76 24.804 10.700 -1.388 1.00 11.34 C ATOM 850 CD LYS A 76 25.656 10.973 -0.159 1.00 51.24 C ATOM 851 CE LYS A 76 25.503 9.874 0.881 1.00 53.13 C ATOM 852 NZ LYS A 76 26.290 10.162 2.112 1.00 74.22 N ATOM 0 H LYS A 76 23.340 12.586 -2.554 1.00 52.20 H new ATOM 0 HA LYS A 76 22.586 9.880 -2.909 1.00 22.41 H new ATOM 0 HB2 LYS A 76 23.091 11.451 -0.351 1.00 32.21 H new ATOM 0 HB3 LYS A 76 23.125 9.706 -0.513 1.00 32.21 H new ATOM 0 HG2 LYS A 76 25.111 9.758 -1.843 1.00 11.34 H new ATOM 0 HG3 LYS A 76 24.972 11.481 -2.129 1.00 11.34 H new ATOM 0 HD2 LYS A 76 26.703 11.055 -0.452 1.00 51.24 H new ATOM 0 HD3 LYS A 76 25.371 11.930 0.277 1.00 51.24 H new ATOM 0 HE2 LYS A 76 24.450 9.764 1.141 1.00 53.13 H new ATOM 0 HE3 LYS A 76 25.828 8.924 0.456 1.00 53.13 H new ATOM 0 HZ1 LYS A 76 26.159 9.390 2.796 1.00 74.22 H new ATOM 0 HZ2 LYS A 76 27.298 10.242 1.869 1.00 74.22 H new ATOM 0 HZ3 LYS A 76 25.963 11.056 2.532 1.00 74.22 H new ATOM 866 N ARG A 77 20.294 11.856 -1.846 1.00 44.44 N ATOM 867 CA ARG A 77 18.897 11.958 -1.444 1.00 52.12 C ATOM 868 C ARG A 77 17.977 11.413 -2.533 1.00 13.32 C ATOM 869 O ARG A 77 16.870 10.954 -2.251 1.00 15.13 O ATOM 870 CB ARG A 77 18.537 13.413 -1.138 1.00 53.12 C ATOM 871 CG ARG A 77 17.733 13.586 0.140 1.00 22.34 C ATOM 872 CD ARG A 77 18.058 14.902 0.829 1.00 24.34 C ATOM 873 NE ARG A 77 18.709 14.697 2.121 1.00 53.40 N ATOM 874 CZ ARG A 77 18.812 15.642 3.049 1.00 25.02 C ATOM 875 NH1 ARG A 77 18.311 16.849 2.830 1.00 52.52 N ATOM 876 NH2 ARG A 77 19.419 15.379 4.200 1.00 54.31 N ATOM 0 H ARG A 77 20.710 12.736 -2.151 1.00 44.44 H new ATOM 0 HA ARG A 77 18.759 11.360 -0.543 1.00 52.12 H new ATOM 0 HB2 ARG A 77 19.454 13.997 -1.062 1.00 53.12 H new ATOM 0 HB3 ARG A 77 17.968 13.821 -1.973 1.00 53.12 H new ATOM 0 HG2 ARG A 77 16.668 13.548 -0.091 1.00 22.34 H new ATOM 0 HG3 ARG A 77 17.942 12.758 0.817 1.00 22.34 H new ATOM 0 HD2 ARG A 77 18.707 15.497 0.186 1.00 24.34 H new ATOM 0 HD3 ARG A 77 17.140 15.473 0.972 1.00 24.34 H new ATOM 0 HE ARG A 77 19.106 13.779 2.321 1.00 53.40 H new ATOM 0 HH11 ARG A 77 17.844 17.055 1.947 1.00 52.52 H new ATOM 0 HH12 ARG A 77 18.392 17.572 3.545 1.00 52.52 H new ATOM 0 HH21 ARG A 77 19.806 14.451 4.372 1.00 54.31 H new ATOM 0 HH22 ARG A 77 19.498 16.105 4.912 1.00 54.31 H new ATOM 890 N ILE A 78 18.442 11.468 -3.776 1.00 5.30 N ATOM 891 CA ILE A 78 17.662 10.980 -4.906 1.00 12.11 C ATOM 892 C ILE A 78 17.786 9.467 -5.047 1.00 34.34 C ATOM 893 O ILE A 78 16.785 8.749 -5.053 1.00 73.21 O ATOM 894 CB ILE A 78 18.102 11.645 -6.224 1.00 23.44 C ATOM 895 CG1 ILE A 78 17.794 13.143 -6.193 1.00 33.14 C ATOM 896 CG2 ILE A 78 17.415 10.981 -7.407 1.00 75.03 C ATOM 897 CD1 ILE A 78 19.030 14.014 -6.158 1.00 30.11 C ATOM 0 H ILE A 78 19.356 11.846 -4.026 1.00 5.30 H new ATOM 0 HA ILE A 78 16.622 11.240 -4.707 1.00 12.11 H new ATOM 0 HB ILE A 78 19.179 11.518 -6.336 1.00 23.44 H new ATOM 0 HG12 ILE A 78 17.202 13.402 -7.071 1.00 33.14 H new ATOM 0 HG13 ILE A 78 17.181 13.361 -5.319 1.00 33.14 H new ATOM 0 HG21 ILE A 78 17.736 11.462 -8.331 1.00 75.03 H new ATOM 0 HG22 ILE A 78 17.681 9.924 -7.436 1.00 75.03 H new ATOM 0 HG23 ILE A 78 16.335 11.080 -7.303 1.00 75.03 H new ATOM 0 HD11 ILE A 78 18.735 15.063 -6.137 1.00 30.11 H new ATOM 0 HD12 ILE A 78 19.613 13.783 -5.266 1.00 30.11 H new ATOM 0 HD13 ILE A 78 19.634 13.824 -7.045 1.00 30.11 H new ATOM 909 N LEU A 79 19.020 8.988 -5.157 1.00 74.54 N ATOM 910 CA LEU A 79 19.276 7.558 -5.296 1.00 14.00 C ATOM 911 C LEU A 79 18.672 6.781 -4.130 1.00 52.15 C ATOM 912 O LEU A 79 18.194 5.659 -4.301 1.00 11.44 O ATOM 913 CB LEU A 79 20.780 7.295 -5.374 1.00 65.31 C ATOM 914 CG LEU A 79 21.462 7.679 -6.688 1.00 12.42 C ATOM 915 CD1 LEU A 79 22.877 8.174 -6.430 1.00 54.44 C ATOM 916 CD2 LEU A 79 21.474 6.499 -7.648 1.00 23.21 C ATOM 0 H LEU A 79 19.859 9.568 -5.153 1.00 74.54 H new ATOM 0 HA LEU A 79 18.805 7.217 -6.218 1.00 14.00 H new ATOM 0 HB2 LEU A 79 21.266 7.838 -4.564 1.00 65.31 H new ATOM 0 HB3 LEU A 79 20.953 6.234 -5.195 1.00 65.31 H new ATOM 0 HG LEU A 79 20.894 8.488 -7.147 1.00 12.42 H new ATOM 0 HD11 LEU A 79 23.347 8.443 -7.376 1.00 54.44 H new ATOM 0 HD12 LEU A 79 22.844 9.049 -5.780 1.00 54.44 H new ATOM 0 HD13 LEU A 79 23.456 7.386 -5.948 1.00 54.44 H new ATOM 0 HD21 LEU A 79 21.963 6.791 -8.577 1.00 23.21 H new ATOM 0 HD22 LEU A 79 22.018 5.669 -7.197 1.00 23.21 H new ATOM 0 HD23 LEU A 79 20.450 6.191 -7.858 1.00 23.21 H new ATOM 928 N ARG A 80 18.695 7.386 -2.947 1.00 41.24 N ATOM 929 CA ARG A 80 18.149 6.752 -1.754 1.00 20.41 C ATOM 930 C ARG A 80 16.654 6.489 -1.913 1.00 43.02 C ATOM 931 O ARG A 80 16.092 5.618 -1.249 1.00 32.33 O ATOM 932 CB ARG A 80 18.395 7.630 -0.526 1.00 23.55 C ATOM 933 CG ARG A 80 19.714 7.342 0.174 1.00 52.31 C ATOM 934 CD ARG A 80 19.544 6.317 1.284 1.00 71.43 C ATOM 935 NE ARG A 80 20.130 5.026 0.931 1.00 41.30 N ATOM 936 CZ ARG A 80 20.110 3.967 1.732 1.00 62.43 C ATOM 937 NH1 ARG A 80 19.536 4.043 2.924 1.00 1.43 N ATOM 938 NH2 ARG A 80 20.665 2.827 1.340 1.00 61.24 N ATOM 0 H ARG A 80 19.086 8.315 -2.790 1.00 41.24 H new ATOM 0 HA ARG A 80 18.656 5.797 -1.617 1.00 20.41 H new ATOM 0 HB2 ARG A 80 18.375 8.677 -0.828 1.00 23.55 H new ATOM 0 HB3 ARG A 80 17.579 7.487 0.182 1.00 23.55 H new ATOM 0 HG2 ARG A 80 20.440 6.976 -0.552 1.00 52.31 H new ATOM 0 HG3 ARG A 80 20.116 8.266 0.589 1.00 52.31 H new ATOM 0 HD2 ARG A 80 20.010 6.690 2.196 1.00 71.43 H new ATOM 0 HD3 ARG A 80 18.483 6.187 1.498 1.00 71.43 H new ATOM 0 HE ARG A 80 20.579 4.933 0.020 1.00 41.30 H new ATOM 0 HH11 ARG A 80 19.108 4.917 3.229 1.00 1.43 H new ATOM 0 HH12 ARG A 80 19.523 3.227 3.537 1.00 1.43 H new ATOM 0 HH21 ARG A 80 21.107 2.764 0.423 1.00 61.24 H new ATOM 0 HH22 ARG A 80 20.649 2.014 1.956 1.00 61.24 H new ATOM 952 N LEU A 81 16.017 7.248 -2.797 1.00 53.14 N ATOM 953 CA LEU A 81 14.587 7.098 -3.044 1.00 53.33 C ATOM 954 C LEU A 81 14.331 6.113 -4.180 1.00 55.23 C ATOM 955 O LEU A 81 13.301 5.437 -4.210 1.00 3.01 O ATOM 956 CB LEU A 81 13.962 8.454 -3.379 1.00 62.00 C ATOM 957 CG LEU A 81 12.436 8.487 -3.467 1.00 30.44 C ATOM 958 CD1 LEU A 81 11.830 8.805 -2.109 1.00 20.24 C ATOM 959 CD2 LEU A 81 11.983 9.502 -4.506 1.00 30.40 C ATOM 0 H LEU A 81 16.468 7.973 -3.355 1.00 53.14 H new ATOM 0 HA LEU A 81 14.126 6.706 -2.137 1.00 53.33 H new ATOM 0 HB2 LEU A 81 14.278 9.174 -2.624 1.00 62.00 H new ATOM 0 HB3 LEU A 81 14.368 8.793 -4.332 1.00 62.00 H new ATOM 0 HG LEU A 81 12.088 7.501 -3.776 1.00 30.44 H new ATOM 0 HD11 LEU A 81 10.743 8.824 -2.191 1.00 20.24 H new ATOM 0 HD12 LEU A 81 12.126 8.041 -1.390 1.00 20.24 H new ATOM 0 HD13 LEU A 81 12.186 9.778 -1.771 1.00 20.24 H new ATOM 0 HD21 LEU A 81 10.894 9.512 -4.555 1.00 30.40 H new ATOM 0 HD22 LEU A 81 12.342 10.493 -4.228 1.00 30.40 H new ATOM 0 HD23 LEU A 81 12.387 9.230 -5.481 1.00 30.40 H new ATOM 971 N LEU A 82 15.273 6.035 -5.113 1.00 5.33 N ATOM 972 CA LEU A 82 15.151 5.131 -6.251 1.00 25.44 C ATOM 973 C LEU A 82 15.235 3.676 -5.801 1.00 34.53 C ATOM 974 O LEU A 82 14.600 2.798 -6.386 1.00 12.43 O ATOM 975 CB LEU A 82 16.246 5.422 -7.279 1.00 22.25 C ATOM 976 CG LEU A 82 15.834 5.313 -8.747 1.00 62.00 C ATOM 977 CD1 LEU A 82 16.919 5.880 -9.649 1.00 62.13 C ATOM 978 CD2 LEU A 82 15.537 3.866 -9.112 1.00 30.23 C ATOM 0 H LEU A 82 16.130 6.587 -5.104 1.00 5.33 H new ATOM 0 HA LEU A 82 14.177 5.295 -6.711 1.00 25.44 H new ATOM 0 HB2 LEU A 82 16.624 6.429 -7.102 1.00 22.25 H new ATOM 0 HB3 LEU A 82 17.074 4.735 -7.103 1.00 22.25 H new ATOM 0 HG LEU A 82 14.926 5.897 -8.894 1.00 62.00 H new ATOM 0 HD11 LEU A 82 16.608 5.794 -10.690 1.00 62.13 H new ATOM 0 HD12 LEU A 82 17.083 6.930 -9.405 1.00 62.13 H new ATOM 0 HD13 LEU A 82 17.844 5.324 -9.499 1.00 62.13 H new ATOM 0 HD21 LEU A 82 15.245 3.808 -10.161 1.00 30.23 H new ATOM 0 HD22 LEU A 82 16.428 3.259 -8.949 1.00 30.23 H new ATOM 0 HD23 LEU A 82 14.725 3.493 -8.488 1.00 30.23 H new ATOM 990 N GLN A 83 16.020 3.428 -4.757 1.00 54.11 N ATOM 991 CA GLN A 83 16.184 2.079 -4.228 1.00 52.31 C ATOM 992 C GLN A 83 14.847 1.509 -3.767 1.00 32.04 C ATOM 993 O GLN A 83 14.700 0.298 -3.600 1.00 21.33 O ATOM 994 CB GLN A 83 17.179 2.082 -3.066 1.00 71.04 C ATOM 995 CG GLN A 83 18.597 1.720 -3.479 1.00 34.23 C ATOM 996 CD GLN A 83 19.598 1.914 -2.357 1.00 61.13 C ATOM 997 OE1 GLN A 83 19.446 2.804 -1.521 1.00 11.53 O ATOM 998 NE2 GLN A 83 20.630 1.079 -2.334 1.00 63.21 N ATOM 0 H GLN A 83 16.552 4.143 -4.261 1.00 54.11 H new ATOM 0 HA GLN A 83 16.571 1.447 -5.027 1.00 52.31 H new ATOM 0 HB2 GLN A 83 17.184 3.070 -2.606 1.00 71.04 H new ATOM 0 HB3 GLN A 83 16.840 1.378 -2.306 1.00 71.04 H new ATOM 0 HG2 GLN A 83 18.622 0.681 -3.808 1.00 34.23 H new ATOM 0 HG3 GLN A 83 18.890 2.331 -4.332 1.00 34.23 H new ATOM 0 HE21 GLN A 83 20.716 0.355 -3.048 1.00 63.21 H new ATOM 0 HE22 GLN A 83 21.336 1.161 -1.603 1.00 63.21 H new