USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 GLN : amide:sc= -0.776 K(o=-2.1,f=-2.8) USER MOD Set 1.2: A 101 MET CE :methyl -141:sc= -1.15 (180deg=-2.26) USER MOD Set 1.3: A 105 ASN : amide:sc= -0.146 K(o=-2.1,f=-5!) USER MOD Set 2.1: A 61 MET CE :methyl -164:sc= -0.0179 (180deg=-0.137) USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 0.213 (180deg=0.21) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0123 K(o=-0.012,f=-2.9!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -167:sc= 0 (180deg=-0.141) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.376 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 179:sc= -0.74 (180deg=-0.752) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.614 K(o=0.61,f=0) USER MOD Single : A 59 TYR OH : rot -172:sc= 1.36 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.672 K(o=0.67,f=-0.077) USER MOD Single : A 68 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 71 GLN : amide:sc= 0.66 K(o=0.66,f=-4.2!) USER MOD Single : A 72 HIS : no HD1:sc= 0.434 K(o=0.43,f=-6.2!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -160:sc= 1.23 USER MOD Single : A 76 CYS SG : rot 170:sc= -0.0905 USER MOD Single : A 89 SER OG : rot 180:sc= 0.26 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 27 11.895 6.514 5.036 1.00 0.00 N ATOM 69 CA VAL A 27 13.350 6.662 4.806 1.00 0.00 C ATOM 70 C VAL A 27 13.682 7.992 4.107 1.00 0.00 C ATOM 71 O VAL A 27 12.780 8.725 3.700 1.00 0.00 O ATOM 72 CB VAL A 27 13.912 5.454 4.020 1.00 0.00 C ATOM 73 CG1 VAL A 27 13.749 4.153 4.815 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.263 5.277 2.640 1.00 0.00 C ATOM 0 HA VAL A 27 13.838 6.682 5.781 1.00 0.00 H new ATOM 0 HB VAL A 27 14.969 5.671 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.153 3.321 4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.287 4.234 5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.692 3.978 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.701 4.413 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.191 5.122 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.436 6.170 2.039 1.00 0.00 H new ATOM 84 N ARG A 28 14.968 8.342 3.974 1.00 0.00 N ATOM 85 CA ARG A 28 15.438 9.511 3.198 1.00 0.00 C ATOM 86 C ARG A 28 15.849 9.110 1.759 1.00 0.00 C ATOM 87 O ARG A 28 16.563 8.118 1.607 1.00 0.00 O ATOM 88 CB ARG A 28 16.563 10.199 3.996 1.00 0.00 C ATOM 89 CG ARG A 28 17.124 11.470 3.330 1.00 0.00 C ATOM 90 CD ARG A 28 17.903 12.391 4.281 1.00 0.00 C ATOM 91 NE ARG A 28 18.920 11.674 5.079 1.00 0.00 N ATOM 92 CZ ARG A 28 18.851 11.331 6.356 1.00 0.00 C ATOM 93 NH1 ARG A 28 17.786 11.521 7.086 1.00 0.00 N ATOM 94 NH2 ARG A 28 19.875 10.772 6.935 1.00 0.00 N ATOM 0 H ARG A 28 15.728 7.817 4.407 1.00 0.00 H new ATOM 0 HA ARG A 28 14.630 10.230 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.186 10.457 4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.377 9.489 4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.779 11.177 2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.298 12.032 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.391 13.174 3.700 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.202 12.884 4.955 1.00 0.00 H new ATOM 0 HE ARG A 28 19.775 11.413 4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.957 11.951 6.676 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.783 11.239 8.066 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.729 10.599 6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.823 10.507 7.919 1.00 0.00 H new ATOM 108 N PRO A 29 15.425 9.850 0.707 1.00 0.00 N ATOM 109 CA PRO A 29 15.829 9.600 -0.685 1.00 0.00 C ATOM 110 C PRO A 29 17.313 9.899 -0.956 1.00 0.00 C ATOM 111 O PRO A 29 18.014 10.473 -0.119 1.00 0.00 O ATOM 112 CB PRO A 29 14.910 10.484 -1.540 1.00 0.00 C ATOM 113 CG PRO A 29 14.545 11.637 -0.614 1.00 0.00 C ATOM 114 CD PRO A 29 14.474 10.956 0.748 1.00 0.00 C ATOM 0 HA PRO A 29 15.726 8.542 -0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.418 10.838 -2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.025 9.940 -1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.296 12.427 -0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.594 12.094 -0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.726 11.655 1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.466 10.594 0.949 1.00 0.00 H new ATOM 122 N LYS A 30 17.787 9.525 -2.155 1.00 0.00 N ATOM 123 CA LYS A 30 19.164 9.765 -2.609 1.00 0.00 C ATOM 124 C LYS A 30 19.451 11.272 -2.699 1.00 0.00 C ATOM 125 O LYS A 30 18.556 12.067 -2.980 1.00 0.00 O ATOM 126 CB LYS A 30 19.354 8.977 -3.918 1.00 0.00 C ATOM 127 CG LYS A 30 20.797 8.871 -4.420 1.00 0.00 C ATOM 128 CD LYS A 30 21.146 7.510 -5.040 1.00 0.00 C ATOM 129 CE LYS A 30 21.228 6.397 -3.984 1.00 0.00 C ATOM 130 NZ LYS A 30 21.470 5.071 -4.622 1.00 0.00 N ATOM 0 H LYS A 30 17.215 9.040 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 30 19.907 9.403 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.962 7.970 -3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.751 9.446 -4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 30 20.971 9.651 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.475 9.064 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.394 7.248 -5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.100 7.584 -5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.030 6.617 -3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.301 6.365 -3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.487 4.332 -3.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.709 4.868 -5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.383 5.087 -5.120 1.00 0.00 H new ATOM 144 N LEU A 31 20.699 11.681 -2.483 1.00 0.00 N ATOM 145 CA LEU A 31 21.050 13.103 -2.298 1.00 0.00 C ATOM 146 C LEU A 31 20.739 14.017 -3.506 1.00 0.00 C ATOM 147 O LEU A 31 20.126 15.065 -3.290 1.00 0.00 O ATOM 148 CB LEU A 31 22.495 13.236 -1.769 1.00 0.00 C ATOM 149 CG LEU A 31 22.772 12.512 -0.433 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.228 12.741 -0.026 1.00 0.00 C ATOM 151 CD2 LEU A 31 21.880 13.009 0.708 1.00 0.00 C ATOM 0 H LEU A 31 21.497 11.048 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 31 20.377 13.491 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.179 12.848 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 31 22.724 14.294 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 31 22.559 11.456 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.427 12.231 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 31 24.888 12.346 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 31 24.409 13.809 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 31 22.120 12.464 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.050 14.074 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.834 12.843 0.451 1.00 0.00 H new ATOM 163 N PRO A 32 21.016 13.632 -4.772 1.00 0.00 N ATOM 164 CA PRO A 32 20.578 14.411 -5.936 1.00 0.00 C ATOM 165 C PRO A 32 19.052 14.472 -6.101 1.00 0.00 C ATOM 166 O PRO A 32 18.547 15.471 -6.599 1.00 0.00 O ATOM 167 CB PRO A 32 21.253 13.766 -7.154 1.00 0.00 C ATOM 168 CG PRO A 32 22.477 13.082 -6.552 1.00 0.00 C ATOM 169 CD PRO A 32 21.950 12.602 -5.204 1.00 0.00 C ATOM 0 HA PRO A 32 20.870 15.454 -5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.595 13.051 -7.648 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.533 14.510 -7.900 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.826 12.255 -7.170 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.314 13.771 -6.440 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.455 11.635 -5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 32 22.760 12.478 -4.485 1.00 0.00 H new ATOM 177 N LEU A 33 18.302 13.458 -5.641 1.00 0.00 N ATOM 178 CA LEU A 33 16.830 13.500 -5.608 1.00 0.00 C ATOM 179 C LEU A 33 16.369 14.552 -4.584 1.00 0.00 C ATOM 180 O LEU A 33 15.598 15.444 -4.927 1.00 0.00 O ATOM 181 CB LEU A 33 16.277 12.071 -5.365 1.00 0.00 C ATOM 182 CG LEU A 33 14.755 11.874 -5.549 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.380 10.397 -5.441 1.00 0.00 C ATOM 184 CD2 LEU A 33 13.914 12.639 -4.529 1.00 0.00 C ATOM 0 H LEU A 33 18.697 12.588 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 33 16.419 13.819 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.792 11.388 -6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.538 11.773 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 33 14.537 12.266 -6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.304 10.284 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.902 9.832 -6.213 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.666 10.020 -4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.856 12.455 -4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.167 12.303 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.118 13.706 -4.617 1.00 0.00 H new ATOM 196 N LEU A 34 16.907 14.531 -3.358 1.00 0.00 N ATOM 197 CA LEU A 34 16.578 15.525 -2.321 1.00 0.00 C ATOM 198 C LEU A 34 16.929 16.965 -2.742 1.00 0.00 C ATOM 199 O LEU A 34 16.179 17.900 -2.458 1.00 0.00 O ATOM 200 CB LEU A 34 17.246 15.097 -1.001 1.00 0.00 C ATOM 201 CG LEU A 34 16.878 15.954 0.228 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.382 16.233 0.366 1.00 0.00 C ATOM 203 CD2 LEU A 34 17.274 15.239 1.519 1.00 0.00 C ATOM 0 H LEU A 34 17.581 13.828 -3.055 1.00 0.00 H new ATOM 0 HA LEU A 34 15.498 15.547 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 34 16.977 14.061 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.328 15.126 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 34 17.414 16.890 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.206 16.841 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.029 16.767 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 34 14.843 15.290 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.007 15.859 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.749 14.286 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.349 15.061 1.521 1.00 0.00 H new ATOM 215 N LYS A 35 17.996 17.138 -3.529 1.00 0.00 N ATOM 216 CA LYS A 35 18.378 18.436 -4.113 1.00 0.00 C ATOM 217 C LYS A 35 17.279 19.052 -5.000 1.00 0.00 C ATOM 218 O LYS A 35 17.162 20.272 -5.072 1.00 0.00 O ATOM 219 CB LYS A 35 19.702 18.262 -4.887 1.00 0.00 C ATOM 220 CG LYS A 35 20.495 19.566 -5.091 1.00 0.00 C ATOM 221 CD LYS A 35 21.545 19.843 -4.000 1.00 0.00 C ATOM 222 CE LYS A 35 20.947 19.942 -2.589 1.00 0.00 C ATOM 223 NZ LYS A 35 21.966 20.340 -1.580 1.00 0.00 N ATOM 0 H LYS A 35 18.626 16.377 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 35 18.515 19.147 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.330 17.549 -4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.484 17.827 -5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.995 19.527 -6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.796 20.401 -5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.292 19.049 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.063 20.773 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.134 20.668 -2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.516 18.981 -2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.522 20.395 -0.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.730 19.634 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.360 21.269 -1.832 1.00 0.00 H new ATOM 237 N ILE A 36 16.420 18.233 -5.610 1.00 0.00 N ATOM 238 CA ILE A 36 15.268 18.688 -6.411 1.00 0.00 C ATOM 239 C ILE A 36 14.157 19.244 -5.510 1.00 0.00 C ATOM 240 O ILE A 36 13.568 20.276 -5.821 1.00 0.00 O ATOM 241 CB ILE A 36 14.740 17.540 -7.299 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.859 16.988 -8.206 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.570 18.020 -8.168 1.00 0.00 C ATOM 244 CD1 ILE A 36 15.506 15.641 -8.836 1.00 0.00 C ATOM 0 H ILE A 36 16.501 17.217 -5.564 1.00 0.00 H new ATOM 0 HA ILE A 36 15.602 19.496 -7.062 1.00 0.00 H new ATOM 0 HB ILE A 36 14.393 16.745 -6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.068 17.709 -8.996 1.00 0.00 H new ATOM 0 HG13 ILE A 36 16.773 16.882 -7.622 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.213 17.196 -8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.761 18.370 -7.527 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.904 18.836 -8.809 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.332 15.305 -9.463 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.325 14.908 -8.050 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.609 15.748 -9.445 1.00 0.00 H new ATOM 256 N LEU A 37 13.909 18.620 -4.354 1.00 0.00 N ATOM 257 CA LEU A 37 12.958 19.141 -3.365 1.00 0.00 C ATOM 258 C LEU A 37 13.481 20.444 -2.731 1.00 0.00 C ATOM 259 O LEU A 37 12.701 21.373 -2.511 1.00 0.00 O ATOM 260 CB LEU A 37 12.638 18.077 -2.301 1.00 0.00 C ATOM 261 CG LEU A 37 11.801 16.882 -2.803 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.619 15.790 -3.487 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.119 16.222 -1.610 1.00 0.00 C ATOM 0 H LEU A 37 14.357 17.746 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 37 12.027 19.381 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.576 17.699 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.104 18.555 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 37 11.104 17.295 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.956 14.987 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.131 16.208 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.354 15.394 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.524 15.376 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.875 15.873 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.470 16.945 -1.116 1.00 0.00 H new ATOM 275 N HIS A 38 14.803 20.564 -2.535 1.00 0.00 N ATOM 276 CA HIS A 38 15.435 21.836 -2.150 1.00 0.00 C ATOM 277 C HIS A 38 15.229 22.917 -3.226 1.00 0.00 C ATOM 278 O HIS A 38 14.818 24.033 -2.903 1.00 0.00 O ATOM 279 CB HIS A 38 16.931 21.638 -1.843 1.00 0.00 C ATOM 280 CG HIS A 38 17.272 20.708 -0.697 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.550 20.197 -0.448 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.434 20.287 0.297 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.451 19.485 0.688 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.192 19.522 1.156 1.00 0.00 N ATOM 0 H HIS A 38 15.459 19.790 -2.638 1.00 0.00 H new ATOM 0 HA HIS A 38 14.947 22.183 -1.239 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.416 21.261 -2.743 1.00 0.00 H new ATOM 0 HB3 HIS A 38 17.367 22.614 -1.631 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.382 20.511 0.391 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.268 18.958 1.158 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.855 19.063 2.002 1.00 0.00 H new ATOM 292 N ALA A 39 15.412 22.584 -4.512 1.00 0.00 N ATOM 293 CA ALA A 39 15.164 23.496 -5.635 1.00 0.00 C ATOM 294 C ALA A 39 13.681 23.891 -5.784 1.00 0.00 C ATOM 295 O ALA A 39 13.377 24.985 -6.263 1.00 0.00 O ATOM 296 CB ALA A 39 15.663 22.833 -6.919 1.00 0.00 C ATOM 0 H ALA A 39 15.740 21.663 -4.803 1.00 0.00 H new ATOM 0 HA ALA A 39 15.704 24.422 -5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.486 23.498 -7.764 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.731 22.631 -6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.128 21.896 -7.076 1.00 0.00 H new ATOM 302 N ALA A 40 12.759 23.031 -5.333 1.00 0.00 N ATOM 303 CA ALA A 40 11.330 23.327 -5.240 1.00 0.00 C ATOM 304 C ALA A 40 10.975 24.297 -4.083 1.00 0.00 C ATOM 305 O ALA A 40 9.812 24.686 -3.942 1.00 0.00 O ATOM 306 CB ALA A 40 10.555 22.003 -5.143 1.00 0.00 C ATOM 0 H ALA A 40 12.994 22.090 -5.017 1.00 0.00 H new ATOM 0 HA ALA A 40 11.034 23.859 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.487 22.211 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.750 21.401 -6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.877 21.457 -4.256 1.00 0.00 H new ATOM 312 N GLY A 41 11.956 24.704 -3.261 1.00 0.00 N ATOM 313 CA GLY A 41 11.801 25.699 -2.191 1.00 0.00 C ATOM 314 C GLY A 41 11.419 25.131 -0.817 1.00 0.00 C ATOM 315 O GLY A 41 10.992 25.896 0.052 1.00 0.00 O ATOM 0 H GLY A 41 12.906 24.338 -3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.737 26.249 -2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.039 26.418 -2.493 1.00 0.00 H new ATOM 319 N ALA A 42 11.558 23.817 -0.606 1.00 0.00 N ATOM 320 CA ALA A 42 11.219 23.126 0.643 1.00 0.00 C ATOM 321 C ALA A 42 12.448 22.476 1.312 1.00 0.00 C ATOM 322 O ALA A 42 13.340 21.966 0.632 1.00 0.00 O ATOM 323 CB ALA A 42 10.124 22.095 0.340 1.00 0.00 C ATOM 0 H ALA A 42 11.920 23.187 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 42 10.851 23.856 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.856 21.569 1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.245 22.603 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.492 21.379 -0.395 1.00 0.00 H new ATOM 329 N GLN A 43 12.485 22.458 2.651 1.00 0.00 N ATOM 330 CA GLN A 43 13.471 21.682 3.421 1.00 0.00 C ATOM 331 C GLN A 43 13.134 20.176 3.408 1.00 0.00 C ATOM 332 O GLN A 43 12.046 19.781 2.977 1.00 0.00 O ATOM 333 CB GLN A 43 13.591 22.242 4.852 1.00 0.00 C ATOM 334 CG GLN A 43 12.333 22.061 5.722 1.00 0.00 C ATOM 335 CD GLN A 43 12.607 22.404 7.186 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.401 23.523 7.643 1.00 0.00 O ATOM 337 NE2 GLN A 43 13.093 21.468 7.980 1.00 0.00 N ATOM 0 H GLN A 43 11.832 22.982 3.234 1.00 0.00 H new ATOM 0 HA GLN A 43 14.445 21.785 2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.432 21.757 5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.825 23.305 4.793 1.00 0.00 H new ATOM 0 HG2 GLN A 43 11.533 22.697 5.342 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.984 21.031 5.648 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.270 20.532 7.616 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.291 21.681 8.958 1.00 0.00 H new ATOM 346 N GLY A 44 14.038 19.320 3.903 1.00 0.00 N ATOM 347 CA GLY A 44 13.786 17.875 3.915 1.00 0.00 C ATOM 348 C GLY A 44 14.796 16.994 4.644 1.00 0.00 C ATOM 349 O GLY A 44 16.002 17.226 4.570 1.00 0.00 O ATOM 0 H GLY A 44 14.938 19.599 4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.807 17.707 4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.726 17.535 2.881 1.00 0.00 H new ATOM 353 N GLU A 45 14.282 15.941 5.293 1.00 0.00 N ATOM 354 CA GLU A 45 15.075 14.907 5.983 1.00 0.00 C ATOM 355 C GLU A 45 14.544 13.461 5.828 1.00 0.00 C ATOM 356 O GLU A 45 15.257 12.530 6.197 1.00 0.00 O ATOM 357 CB GLU A 45 15.179 15.268 7.482 1.00 0.00 C ATOM 358 CG GLU A 45 16.221 16.356 7.771 1.00 0.00 C ATOM 359 CD GLU A 45 16.389 16.569 9.287 1.00 0.00 C ATOM 360 OE1 GLU A 45 17.220 15.869 9.918 1.00 0.00 O ATOM 361 OE2 GLU A 45 15.698 17.445 9.865 1.00 0.00 O ATOM 0 H GLU A 45 13.277 15.778 5.356 1.00 0.00 H new ATOM 0 HA GLU A 45 16.052 14.906 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.205 15.604 7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.433 14.372 8.048 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.178 16.074 7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.917 17.291 7.300 1.00 0.00 H new ATOM 368 N MET A 46 13.329 13.239 5.305 1.00 0.00 N ATOM 369 CA MET A 46 12.664 11.918 5.188 1.00 0.00 C ATOM 370 C MET A 46 11.392 11.997 4.311 1.00 0.00 C ATOM 371 O MET A 46 10.551 12.866 4.546 1.00 0.00 O ATOM 372 CB MET A 46 12.284 11.415 6.599 1.00 0.00 C ATOM 373 CG MET A 46 13.169 10.248 7.056 1.00 0.00 C ATOM 374 SD MET A 46 13.211 9.976 8.850 1.00 0.00 S ATOM 375 CE MET A 46 14.218 11.400 9.358 1.00 0.00 C ATOM 0 H MET A 46 12.755 13.998 4.936 1.00 0.00 H new ATOM 0 HA MET A 46 13.359 11.227 4.711 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.371 12.236 7.311 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.240 11.100 6.602 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.819 9.335 6.573 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.186 10.424 6.706 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.538 11.269 10.392 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.094 11.475 8.714 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.627 12.312 9.274 1.00 0.00 H new ATOM 385 N PHE A 47 11.239 11.100 3.320 1.00 0.00 N ATOM 386 CA PHE A 47 10.127 11.110 2.346 1.00 0.00 C ATOM 387 C PHE A 47 9.828 9.733 1.715 1.00 0.00 C ATOM 388 O PHE A 47 10.748 9.009 1.330 1.00 0.00 O ATOM 389 CB PHE A 47 10.455 12.036 1.157 1.00 0.00 C ATOM 390 CG PHE A 47 10.848 13.465 1.462 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.180 13.760 1.803 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.907 14.506 1.354 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.572 15.083 2.043 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.303 15.836 1.579 1.00 0.00 C ATOM 395 CZ PHE A 47 11.639 16.123 1.904 1.00 0.00 C ATOM 0 H PHE A 47 11.895 10.334 3.169 1.00 0.00 H new ATOM 0 HA PHE A 47 9.267 11.443 2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.267 11.579 0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.584 12.061 0.502 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.904 12.963 1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.882 14.283 1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.589 15.303 2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.581 16.636 1.502 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.950 17.147 2.047 1.00 0.00 H new ATOM 405 N THR A 48 8.547 9.391 1.541 1.00 0.00 N ATOM 406 CA THR A 48 8.105 8.247 0.709 1.00 0.00 C ATOM 407 C THR A 48 8.098 8.658 -0.774 1.00 0.00 C ATOM 408 O THR A 48 8.280 9.833 -1.093 1.00 0.00 O ATOM 409 CB THR A 48 6.693 7.776 1.093 1.00 0.00 C ATOM 410 OG1 THR A 48 5.780 8.821 0.844 1.00 0.00 O ATOM 411 CG2 THR A 48 6.572 7.354 2.550 1.00 0.00 C ATOM 0 H THR A 48 7.775 9.899 1.973 1.00 0.00 H new ATOM 0 HA THR A 48 8.804 7.428 0.879 1.00 0.00 H new ATOM 0 HB THR A 48 6.475 6.897 0.487 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.876 8.530 1.084 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.550 7.033 2.752 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.257 6.530 2.748 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.822 8.196 3.195 1.00 0.00 H new ATOM 419 N VAL A 49 7.804 7.740 -1.710 1.00 0.00 N ATOM 420 CA VAL A 49 7.617 8.104 -3.138 1.00 0.00 C ATOM 421 C VAL A 49 6.483 9.114 -3.319 1.00 0.00 C ATOM 422 O VAL A 49 6.603 10.053 -4.099 1.00 0.00 O ATOM 423 CB VAL A 49 7.425 6.845 -4.015 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.995 6.494 -4.448 1.00 0.00 C ATOM 425 CG2 VAL A 49 8.265 6.945 -5.294 1.00 0.00 C ATOM 0 H VAL A 49 7.690 6.746 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 49 8.529 8.595 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 49 7.743 6.048 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.011 5.590 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.378 6.326 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.579 7.316 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.116 6.050 -5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.958 7.822 -5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.319 7.034 -5.031 1.00 0.00 H new ATOM 435 N LYS A 50 5.412 8.962 -2.534 1.00 0.00 N ATOM 436 CA LYS A 50 4.254 9.859 -2.478 1.00 0.00 C ATOM 437 C LYS A 50 4.593 11.243 -1.910 1.00 0.00 C ATOM 438 O LYS A 50 4.188 12.254 -2.483 1.00 0.00 O ATOM 439 CB LYS A 50 3.161 9.155 -1.669 1.00 0.00 C ATOM 440 CG LYS A 50 2.501 8.026 -2.478 1.00 0.00 C ATOM 441 CD LYS A 50 1.307 7.436 -1.720 1.00 0.00 C ATOM 442 CE LYS A 50 0.657 6.314 -2.542 1.00 0.00 C ATOM 443 NZ LYS A 50 -0.517 5.727 -1.841 1.00 0.00 N ATOM 0 H LYS A 50 5.325 8.175 -1.891 1.00 0.00 H new ATOM 0 HA LYS A 50 3.904 10.058 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.590 8.746 -0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.404 9.880 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.170 8.410 -3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.232 7.243 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.635 7.047 -0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.575 8.217 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.344 6.706 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.392 5.533 -2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.930 4.973 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.214 5.330 -0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.229 6.467 -1.677 1.00 0.00 H new ATOM 457 N GLU A 51 5.397 11.312 -0.848 1.00 0.00 N ATOM 458 CA GLU A 51 5.871 12.594 -0.297 1.00 0.00 C ATOM 459 C GLU A 51 6.886 13.286 -1.229 1.00 0.00 C ATOM 460 O GLU A 51 6.848 14.507 -1.371 1.00 0.00 O ATOM 461 CB GLU A 51 6.469 12.389 1.100 1.00 0.00 C ATOM 462 CG GLU A 51 5.434 11.970 2.151 1.00 0.00 C ATOM 463 CD GLU A 51 6.112 11.752 3.516 1.00 0.00 C ATOM 464 OE1 GLU A 51 6.934 10.812 3.640 1.00 0.00 O ATOM 465 OE2 GLU A 51 5.835 12.523 4.467 1.00 0.00 O ATOM 0 H GLU A 51 5.738 10.493 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 51 5.007 13.254 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.248 11.629 1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.948 13.314 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.664 12.737 2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.936 11.053 1.835 1.00 0.00 H new ATOM 472 N VAL A 52 7.737 12.522 -1.929 1.00 0.00 N ATOM 473 CA VAL A 52 8.608 13.029 -3.010 1.00 0.00 C ATOM 474 C VAL A 52 7.775 13.631 -4.143 1.00 0.00 C ATOM 475 O VAL A 52 8.032 14.748 -4.582 1.00 0.00 O ATOM 476 CB VAL A 52 9.540 11.911 -3.538 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.164 12.203 -4.909 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.692 11.663 -2.558 1.00 0.00 C ATOM 0 H VAL A 52 7.844 11.522 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 52 9.234 13.820 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 52 8.894 11.039 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.802 11.370 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.374 12.334 -5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.761 13.113 -4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.336 10.874 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.271 12.579 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.289 11.360 -1.592 1.00 0.00 H new ATOM 488 N MET A 53 6.758 12.909 -4.608 1.00 0.00 N ATOM 489 CA MET A 53 5.921 13.211 -5.761 1.00 0.00 C ATOM 490 C MET A 53 5.125 14.505 -5.633 1.00 0.00 C ATOM 491 O MET A 53 5.017 15.242 -6.611 1.00 0.00 O ATOM 492 CB MET A 53 5.048 11.975 -5.897 1.00 0.00 C ATOM 493 CG MET A 53 3.750 12.106 -6.675 1.00 0.00 C ATOM 494 SD MET A 53 2.872 10.537 -6.986 1.00 0.00 S ATOM 495 CE MET A 53 4.145 9.295 -6.598 1.00 0.00 C ATOM 0 H MET A 53 6.480 12.038 -4.156 1.00 0.00 H new ATOM 0 HA MET A 53 6.514 13.407 -6.654 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.644 11.194 -6.370 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.803 11.626 -4.894 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.084 12.775 -6.130 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.965 12.580 -7.633 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.731 8.296 -6.731 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.997 9.426 -7.265 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.471 9.419 -5.565 1.00 0.00 H new ATOM 505 N HIS A 54 4.648 14.821 -4.428 1.00 0.00 N ATOM 506 CA HIS A 54 4.044 16.129 -4.126 1.00 0.00 C ATOM 507 C HIS A 54 4.958 17.298 -4.549 1.00 0.00 C ATOM 508 O HIS A 54 4.542 18.168 -5.317 1.00 0.00 O ATOM 509 CB HIS A 54 3.715 16.198 -2.627 1.00 0.00 C ATOM 510 CG HIS A 54 3.137 17.529 -2.209 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.815 17.941 -2.406 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.830 18.542 -1.610 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.742 19.192 -1.916 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.937 19.576 -1.433 1.00 0.00 N ATOM 0 H HIS A 54 4.667 14.183 -3.633 1.00 0.00 H new ATOM 0 HA HIS A 54 3.126 16.229 -4.704 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.007 15.407 -2.380 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.621 16.006 -2.053 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.873 18.534 -1.330 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.850 19.801 -1.911 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.147 20.479 -1.008 1.00 0.00 H new ATOM 522 N TYR A 55 6.219 17.294 -4.101 1.00 0.00 N ATOM 523 CA TYR A 55 7.231 18.286 -4.490 1.00 0.00 C ATOM 524 C TYR A 55 7.786 18.100 -5.915 1.00 0.00 C ATOM 525 O TYR A 55 8.112 19.090 -6.563 1.00 0.00 O ATOM 526 CB TYR A 55 8.351 18.300 -3.442 1.00 0.00 C ATOM 527 CG TYR A 55 7.893 18.756 -2.068 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.576 20.112 -1.849 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.756 17.827 -1.018 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.118 20.537 -0.587 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.304 18.249 0.247 1.00 0.00 C ATOM 532 CZ TYR A 55 6.984 19.606 0.467 1.00 0.00 C ATOM 533 OH TYR A 55 6.540 20.005 1.693 1.00 0.00 O ATOM 0 H TYR A 55 6.571 16.593 -3.449 1.00 0.00 H new ATOM 0 HA TYR A 55 6.735 19.256 -4.518 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.774 17.299 -3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.150 18.957 -3.786 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.685 20.827 -2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.998 16.788 -1.184 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.869 21.575 -0.425 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.202 17.534 1.050 1.00 0.00 H new ATOM 0 HH TYR A 55 6.508 19.233 2.296 1.00 0.00 H new ATOM 543 N LEU A 56 7.880 16.873 -6.441 1.00 0.00 N ATOM 544 CA LEU A 56 8.412 16.606 -7.789 1.00 0.00 C ATOM 545 C LEU A 56 7.458 17.047 -8.904 1.00 0.00 C ATOM 546 O LEU A 56 7.906 17.689 -9.852 1.00 0.00 O ATOM 547 CB LEU A 56 8.825 15.123 -7.929 1.00 0.00 C ATOM 548 CG LEU A 56 10.332 14.853 -7.733 1.00 0.00 C ATOM 549 CD1 LEU A 56 11.125 15.254 -8.978 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.954 15.563 -6.528 1.00 0.00 C ATOM 0 H LEU A 56 7.589 16.031 -5.944 1.00 0.00 H new ATOM 0 HA LEU A 56 9.306 17.218 -7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.266 14.534 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.532 14.770 -8.918 1.00 0.00 H new ATOM 0 HG LEU A 56 10.393 13.780 -7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.184 15.054 -8.815 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.774 14.677 -9.834 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.982 16.317 -9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.014 15.316 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.838 16.641 -6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.453 15.238 -5.616 1.00 0.00 H new ATOM 562 N GLY A 57 6.152 16.803 -8.768 1.00 0.00 N ATOM 563 CA GLY A 57 5.142 17.347 -9.684 1.00 0.00 C ATOM 564 C GLY A 57 5.148 18.879 -9.683 1.00 0.00 C ATOM 565 O GLY A 57 5.172 19.502 -10.743 1.00 0.00 O ATOM 0 H GLY A 57 5.764 16.225 -8.023 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.331 16.982 -10.694 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.155 16.986 -9.395 1.00 0.00 H new ATOM 569 N GLN A 58 5.252 19.491 -8.497 1.00 0.00 N ATOM 570 CA GLN A 58 5.415 20.940 -8.313 1.00 0.00 C ATOM 571 C GLN A 58 6.713 21.477 -8.949 1.00 0.00 C ATOM 572 O GLN A 58 6.682 22.522 -9.602 1.00 0.00 O ATOM 573 CB GLN A 58 5.338 21.230 -6.801 1.00 0.00 C ATOM 574 CG GLN A 58 5.663 22.665 -6.357 1.00 0.00 C ATOM 575 CD GLN A 58 4.667 23.705 -6.873 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.728 24.097 -6.193 1.00 0.00 O ATOM 577 NE2 GLN A 58 4.819 24.189 -8.090 1.00 0.00 N ATOM 0 H GLN A 58 5.224 18.979 -7.615 1.00 0.00 H new ATOM 0 HA GLN A 58 4.616 21.468 -8.833 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.332 20.987 -6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.021 20.552 -6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.685 22.704 -5.268 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.662 22.927 -6.705 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.596 23.874 -8.671 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.160 24.879 -8.451 1.00 0.00 H new ATOM 586 N TYR A 59 7.837 20.770 -8.804 1.00 0.00 N ATOM 587 CA TYR A 59 9.125 21.139 -9.392 1.00 0.00 C ATOM 588 C TYR A 59 9.046 21.097 -10.922 1.00 0.00 C ATOM 589 O TYR A 59 9.314 22.090 -11.593 1.00 0.00 O ATOM 590 CB TYR A 59 10.223 20.216 -8.844 1.00 0.00 C ATOM 591 CG TYR A 59 11.557 20.393 -9.538 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.488 21.355 -9.102 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.841 19.597 -10.660 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.695 21.522 -9.812 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.032 19.765 -11.379 1.00 0.00 C ATOM 596 CZ TYR A 59 13.974 20.727 -10.948 1.00 0.00 C ATOM 597 OH TYR A 59 15.150 20.900 -11.605 1.00 0.00 O ATOM 0 H TYR A 59 7.876 19.907 -8.263 1.00 0.00 H new ATOM 0 HA TYR A 59 9.377 22.162 -9.114 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.348 20.405 -7.778 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.902 19.180 -8.948 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.280 21.960 -8.232 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.132 18.845 -10.973 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.411 22.262 -9.486 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.229 19.165 -12.255 1.00 0.00 H new ATOM 0 HH TYR A 59 15.143 20.375 -12.433 1.00 0.00 H new ATOM 607 N ILE A 60 8.575 19.982 -11.484 1.00 0.00 N ATOM 608 CA ILE A 60 8.429 19.804 -12.934 1.00 0.00 C ATOM 609 C ILE A 60 7.457 20.849 -13.513 1.00 0.00 C ATOM 610 O ILE A 60 7.735 21.414 -14.570 1.00 0.00 O ATOM 611 CB ILE A 60 8.036 18.339 -13.222 1.00 0.00 C ATOM 612 CG1 ILE A 60 9.234 17.403 -12.925 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.596 18.168 -14.688 1.00 0.00 C ATOM 614 CD1 ILE A 60 8.820 15.944 -12.703 1.00 0.00 C ATOM 0 H ILE A 60 8.281 19.169 -10.943 1.00 0.00 H new ATOM 0 HA ILE A 60 9.375 19.983 -13.445 1.00 0.00 H new ATOM 0 HB ILE A 60 7.199 18.076 -12.575 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.939 17.452 -13.755 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.758 17.764 -12.040 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.324 17.128 -14.867 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.736 18.807 -14.887 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.416 18.448 -15.349 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.705 15.341 -12.500 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.138 15.884 -11.855 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.322 15.567 -13.596 1.00 0.00 H new ATOM 626 N MET A 61 6.386 21.195 -12.791 1.00 0.00 N ATOM 627 CA MET A 61 5.445 22.268 -13.144 1.00 0.00 C ATOM 628 C MET A 61 6.101 23.661 -13.153 1.00 0.00 C ATOM 629 O MET A 61 5.896 24.411 -14.105 1.00 0.00 O ATOM 630 CB MET A 61 4.255 22.203 -12.165 1.00 0.00 C ATOM 631 CG MET A 61 3.155 23.264 -12.312 1.00 0.00 C ATOM 632 SD MET A 61 1.969 23.008 -13.663 1.00 0.00 S ATOM 633 CE MET A 61 2.763 23.956 -14.983 1.00 0.00 C ATOM 0 H MET A 61 6.141 20.724 -11.920 1.00 0.00 H new ATOM 0 HA MET A 61 5.099 22.112 -14.166 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.791 21.222 -12.265 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.650 22.267 -11.151 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.601 23.315 -11.375 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.631 24.234 -12.454 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.044 24.141 -15.781 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.116 24.908 -14.586 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.608 23.392 -15.379 1.00 0.00 H new ATOM 643 N VAL A 62 6.890 24.032 -12.132 1.00 0.00 N ATOM 644 CA VAL A 62 7.499 25.375 -12.018 1.00 0.00 C ATOM 645 C VAL A 62 8.737 25.568 -12.905 1.00 0.00 C ATOM 646 O VAL A 62 9.022 26.683 -13.344 1.00 0.00 O ATOM 647 CB VAL A 62 7.735 25.738 -10.540 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.893 25.005 -9.863 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.981 27.233 -10.380 1.00 0.00 C ATOM 0 H VAL A 62 7.127 23.411 -11.359 1.00 0.00 H new ATOM 0 HA VAL A 62 6.781 26.091 -12.417 1.00 0.00 H new ATOM 0 HB VAL A 62 6.817 25.419 -10.046 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.974 25.332 -8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.710 23.931 -9.891 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.822 25.229 -10.388 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.145 27.464 -9.327 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.861 27.521 -10.956 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.114 27.785 -10.742 1.00 0.00 H new ATOM 659 N LYS A 63 9.443 24.473 -13.208 1.00 0.00 N ATOM 660 CA LYS A 63 10.576 24.428 -14.158 1.00 0.00 C ATOM 661 C LYS A 63 10.149 24.112 -15.603 1.00 0.00 C ATOM 662 O LYS A 63 10.922 24.344 -16.532 1.00 0.00 O ATOM 663 CB LYS A 63 11.648 23.429 -13.669 1.00 0.00 C ATOM 664 CG LYS A 63 12.203 23.647 -12.246 1.00 0.00 C ATOM 665 CD LYS A 63 12.439 25.112 -11.858 1.00 0.00 C ATOM 666 CE LYS A 63 13.159 25.172 -10.502 1.00 0.00 C ATOM 667 NZ LYS A 63 13.464 26.572 -10.091 1.00 0.00 N ATOM 0 H LYS A 63 9.241 23.564 -12.791 1.00 0.00 H new ATOM 0 HA LYS A 63 11.002 25.431 -14.183 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.225 22.425 -13.719 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.484 23.458 -14.368 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.510 23.205 -11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.145 23.106 -12.153 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.036 25.610 -12.622 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.488 25.642 -11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.539 24.698 -9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.086 24.601 -10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.949 26.566 -9.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.077 27.017 -10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.578 27.111 -10.011 1.00 0.00 H new ATOM 681 N GLN A 64 8.925 23.608 -15.790 1.00 0.00 N ATOM 682 CA GLN A 64 8.352 23.125 -17.050 1.00 0.00 C ATOM 683 C GLN A 64 9.223 22.051 -17.740 1.00 0.00 C ATOM 684 O GLN A 64 9.684 22.226 -18.870 1.00 0.00 O ATOM 685 CB GLN A 64 7.928 24.260 -18.010 1.00 0.00 C ATOM 686 CG GLN A 64 6.885 25.244 -17.459 1.00 0.00 C ATOM 687 CD GLN A 64 7.491 26.388 -16.647 1.00 0.00 C ATOM 688 OE1 GLN A 64 8.395 27.097 -17.075 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.008 26.632 -15.452 1.00 0.00 N ATOM 0 H GLN A 64 8.266 23.521 -15.016 1.00 0.00 H new ATOM 0 HA GLN A 64 7.427 22.623 -16.767 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.818 24.823 -18.293 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.532 23.811 -18.921 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.317 25.661 -18.290 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.179 24.699 -16.832 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.256 26.053 -15.078 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.385 27.400 -14.897 1.00 0.00 H new ATOM 698 N LEU A 65 9.454 20.923 -17.050 1.00 0.00 N ATOM 699 CA LEU A 65 10.266 19.797 -17.553 1.00 0.00 C ATOM 700 C LEU A 65 9.423 18.680 -18.207 1.00 0.00 C ATOM 701 O LEU A 65 9.941 17.620 -18.561 1.00 0.00 O ATOM 702 CB LEU A 65 11.192 19.293 -16.434 1.00 0.00 C ATOM 703 CG LEU A 65 12.534 18.777 -16.988 1.00 0.00 C ATOM 704 CD1 LEU A 65 13.474 19.908 -17.416 1.00 0.00 C ATOM 705 CD2 LEU A 65 13.229 17.983 -15.898 1.00 0.00 C ATOM 0 H LEU A 65 9.079 20.763 -16.115 1.00 0.00 H new ATOM 0 HA LEU A 65 10.890 20.162 -18.369 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.378 20.100 -15.725 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.695 18.494 -15.884 1.00 0.00 H new ATOM 0 HG LEU A 65 12.313 18.172 -17.867 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.403 19.484 -17.798 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.998 20.501 -18.197 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.691 20.545 -16.558 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.182 17.609 -16.272 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.405 18.626 -15.035 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.600 17.143 -15.603 1.00 0.00 H new ATOM 717 N TYR A 66 8.119 18.922 -18.350 1.00 0.00 N ATOM 718 CA TYR A 66 7.158 18.076 -19.056 1.00 0.00 C ATOM 719 C TYR A 66 6.956 18.559 -20.503 1.00 0.00 C ATOM 720 O TYR A 66 7.226 19.723 -20.814 1.00 0.00 O ATOM 721 CB TYR A 66 5.834 18.053 -18.271 1.00 0.00 C ATOM 722 CG TYR A 66 5.109 19.391 -18.265 1.00 0.00 C ATOM 723 CD1 TYR A 66 5.416 20.378 -17.305 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.170 19.671 -19.276 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.813 21.650 -17.382 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.560 20.936 -19.353 1.00 0.00 C ATOM 727 CZ TYR A 66 3.889 21.936 -18.414 1.00 0.00 C ATOM 728 OH TYR A 66 3.318 23.168 -18.523 1.00 0.00 O ATOM 0 H TYR A 66 7.683 19.756 -17.956 1.00 0.00 H new ATOM 0 HA TYR A 66 7.545 17.059 -19.117 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.179 17.296 -18.701 1.00 0.00 H new ATOM 0 HB3 TYR A 66 6.036 17.753 -17.243 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.114 20.159 -16.510 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.916 18.909 -19.998 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.057 22.407 -16.652 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.840 21.142 -20.131 1.00 0.00 H new ATOM 0 HH TYR A 66 2.710 23.180 -19.292 1.00 0.00 H new ATOM 738 N ASP A 67 6.453 17.696 -21.393 1.00 0.00 N ATOM 739 CA ASP A 67 6.077 18.120 -22.750 1.00 0.00 C ATOM 740 C ASP A 67 4.640 18.673 -22.800 1.00 0.00 C ATOM 741 O ASP A 67 3.703 18.003 -22.361 1.00 0.00 O ATOM 742 CB ASP A 67 6.265 16.989 -23.772 1.00 0.00 C ATOM 743 CG ASP A 67 6.529 17.571 -25.165 1.00 0.00 C ATOM 744 OD1 ASP A 67 5.665 18.329 -25.656 1.00 0.00 O ATOM 745 OD2 ASP A 67 7.605 17.292 -25.745 1.00 0.00 O ATOM 0 H ASP A 67 6.297 16.706 -21.202 1.00 0.00 H new ATOM 0 HA ASP A 67 6.752 18.931 -23.024 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.098 16.353 -23.472 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.376 16.359 -23.796 1.00 0.00 H new ATOM 750 N GLN A 68 4.422 19.863 -23.375 1.00 0.00 N ATOM 751 CA GLN A 68 3.066 20.416 -23.524 1.00 0.00 C ATOM 752 C GLN A 68 2.193 19.598 -24.490 1.00 0.00 C ATOM 753 O GLN A 68 0.966 19.696 -24.442 1.00 0.00 O ATOM 754 CB GLN A 68 3.128 21.897 -23.958 1.00 0.00 C ATOM 755 CG GLN A 68 3.250 22.148 -25.483 1.00 0.00 C ATOM 756 CD GLN A 68 1.972 22.720 -26.105 1.00 0.00 C ATOM 757 OE1 GLN A 68 1.918 23.863 -26.539 1.00 0.00 O ATOM 758 NE2 GLN A 68 0.899 21.958 -26.182 1.00 0.00 N ATOM 0 H GLN A 68 5.162 20.460 -23.744 1.00 0.00 H new ATOM 0 HA GLN A 68 2.589 20.354 -22.546 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.231 22.400 -23.597 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.978 22.366 -23.462 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.075 22.836 -25.666 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.500 21.211 -25.980 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.925 21.003 -25.826 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.043 22.324 -26.598 1.00 0.00 H new ATOM 767 N GLN A 69 2.794 18.855 -25.425 1.00 0.00 N ATOM 768 CA GLN A 69 2.059 18.095 -26.428 1.00 0.00 C ATOM 769 C GLN A 69 1.510 16.788 -25.828 1.00 0.00 C ATOM 770 O GLN A 69 0.476 16.267 -26.248 1.00 0.00 O ATOM 771 CB GLN A 69 3.005 17.755 -27.592 1.00 0.00 C ATOM 772 CG GLN A 69 3.721 18.951 -28.243 1.00 0.00 C ATOM 773 CD GLN A 69 2.802 19.962 -28.937 1.00 0.00 C ATOM 774 OE1 GLN A 69 1.609 19.765 -29.132 1.00 0.00 O ATOM 775 NE2 GLN A 69 3.329 21.096 -29.350 1.00 0.00 N ATOM 0 H GLN A 69 3.807 18.767 -25.503 1.00 0.00 H new ATOM 0 HA GLN A 69 1.222 18.697 -26.781 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.760 17.057 -27.230 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.433 17.236 -28.361 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.295 19.472 -27.476 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.436 18.572 -28.974 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.320 21.283 -29.199 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.746 21.788 -29.821 1.00 0.00 H new ATOM 784 N GLU A 70 2.252 16.268 -24.847 1.00 0.00 N ATOM 785 CA GLU A 70 2.122 14.952 -24.218 1.00 0.00 C ATOM 786 C GLU A 70 2.634 15.005 -22.763 1.00 0.00 C ATOM 787 O GLU A 70 3.759 14.598 -22.462 1.00 0.00 O ATOM 788 CB GLU A 70 2.917 13.907 -25.031 1.00 0.00 C ATOM 789 CG GLU A 70 2.303 13.598 -26.401 1.00 0.00 C ATOM 790 CD GLU A 70 2.905 12.316 -27.005 1.00 0.00 C ATOM 791 OE1 GLU A 70 2.424 11.203 -26.674 1.00 0.00 O ATOM 792 OE2 GLU A 70 3.856 12.407 -27.821 1.00 0.00 O ATOM 0 H GLU A 70 3.021 16.800 -24.440 1.00 0.00 H new ATOM 0 HA GLU A 70 1.071 14.664 -24.203 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.936 14.267 -25.172 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.982 12.984 -24.455 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.224 13.484 -26.301 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.474 14.436 -27.076 1.00 0.00 H new ATOM 799 N GLN A 71 1.800 15.498 -21.840 1.00 0.00 N ATOM 800 CA GLN A 71 2.159 15.730 -20.433 1.00 0.00 C ATOM 801 C GLN A 71 2.585 14.461 -19.670 1.00 0.00 C ATOM 802 O GLN A 71 3.215 14.564 -18.615 1.00 0.00 O ATOM 803 CB GLN A 71 0.985 16.409 -19.707 1.00 0.00 C ATOM 804 CG GLN A 71 0.745 17.869 -20.131 1.00 0.00 C ATOM 805 CD GLN A 71 -0.028 18.093 -21.434 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.427 17.185 -22.153 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.280 19.335 -21.786 1.00 0.00 N ATOM 0 H GLN A 71 0.836 15.753 -22.053 1.00 0.00 H new ATOM 0 HA GLN A 71 3.036 16.378 -20.445 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.077 15.835 -19.890 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.170 16.379 -18.633 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.208 18.372 -19.327 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.714 18.360 -20.223 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.043 20.106 -21.202 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.799 19.527 -22.643 1.00 0.00 H new ATOM 816 N HIS A 72 2.297 13.267 -20.211 1.00 0.00 N ATOM 817 CA HIS A 72 2.807 12.004 -19.671 1.00 0.00 C ATOM 818 C HIS A 72 4.340 11.884 -19.759 1.00 0.00 C ATOM 819 O HIS A 72 4.913 11.129 -18.977 1.00 0.00 O ATOM 820 CB HIS A 72 2.108 10.806 -20.344 1.00 0.00 C ATOM 821 CG HIS A 72 2.538 10.530 -21.766 1.00 0.00 C ATOM 822 ND1 HIS A 72 3.743 9.928 -22.140 1.00 0.00 N ATOM 823 CD2 HIS A 72 1.828 10.829 -22.891 1.00 0.00 C ATOM 824 CE1 HIS A 72 3.747 9.910 -23.482 1.00 0.00 C ATOM 825 NE2 HIS A 72 2.603 10.428 -23.958 1.00 0.00 N ATOM 0 H HIS A 72 1.705 13.153 -21.034 1.00 0.00 H new ATOM 0 HA HIS A 72 2.568 11.995 -18.608 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.293 9.914 -19.745 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.032 10.980 -20.333 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.852 11.289 -22.937 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.555 9.533 -24.092 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.350 10.511 -24.943 1.00 0.00 H new ATOM 833 N MET A 73 5.016 12.616 -20.656 1.00 0.00 N ATOM 834 CA MET A 73 6.474 12.572 -20.823 1.00 0.00 C ATOM 835 C MET A 73 7.194 13.701 -20.068 1.00 0.00 C ATOM 836 O MET A 73 6.780 14.863 -20.107 1.00 0.00 O ATOM 837 CB MET A 73 6.842 12.527 -22.315 1.00 0.00 C ATOM 838 CG MET A 73 8.364 12.504 -22.524 1.00 0.00 C ATOM 839 SD MET A 73 8.923 11.726 -24.063 1.00 0.00 S ATOM 840 CE MET A 73 9.804 10.298 -23.365 1.00 0.00 C ATOM 0 H MET A 73 4.557 13.265 -21.295 1.00 0.00 H new ATOM 0 HA MET A 73 6.832 11.650 -20.365 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.398 11.643 -22.773 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.418 13.395 -22.821 1.00 0.00 H new ATOM 0 HG2 MET A 73 8.733 13.529 -22.500 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.822 11.981 -21.685 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.220 9.697 -24.173 1.00 0.00 H new ATOM 0 HE2 MET A 73 10.610 10.648 -22.720 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.110 9.692 -22.782 1.00 0.00 H new ATOM 850 N VAL A 74 8.307 13.345 -19.415 1.00 0.00 N ATOM 851 CA VAL A 74 9.168 14.227 -18.610 1.00 0.00 C ATOM 852 C VAL A 74 10.638 14.024 -18.993 1.00 0.00 C ATOM 853 O VAL A 74 11.094 12.891 -19.168 1.00 0.00 O ATOM 854 CB VAL A 74 8.963 13.963 -17.104 1.00 0.00 C ATOM 855 CG1 VAL A 74 9.805 14.903 -16.231 1.00 0.00 C ATOM 856 CG2 VAL A 74 7.501 14.135 -16.671 1.00 0.00 C ATOM 0 H VAL A 74 8.651 12.385 -19.433 1.00 0.00 H new ATOM 0 HA VAL A 74 8.891 15.261 -18.816 1.00 0.00 H new ATOM 0 HB VAL A 74 9.276 12.929 -16.960 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.627 14.679 -15.179 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.862 14.762 -16.458 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.525 15.937 -16.434 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.412 13.938 -15.603 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.177 15.155 -16.880 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.873 13.435 -17.223 1.00 0.00 H new ATOM 866 N TYR A 75 11.395 15.119 -19.095 1.00 0.00 N ATOM 867 CA TYR A 75 12.764 15.149 -19.629 1.00 0.00 C ATOM 868 C TYR A 75 13.854 15.277 -18.546 1.00 0.00 C ATOM 869 O TYR A 75 14.739 16.133 -18.632 1.00 0.00 O ATOM 870 CB TYR A 75 12.851 16.233 -20.718 1.00 0.00 C ATOM 871 CG TYR A 75 11.925 16.010 -21.901 1.00 0.00 C ATOM 872 CD1 TYR A 75 12.139 14.911 -22.756 1.00 0.00 C ATOM 873 CD2 TYR A 75 10.872 16.909 -22.163 1.00 0.00 C ATOM 874 CE1 TYR A 75 11.309 14.713 -23.875 1.00 0.00 C ATOM 875 CE2 TYR A 75 10.049 16.723 -23.292 1.00 0.00 C ATOM 876 CZ TYR A 75 10.267 15.623 -24.154 1.00 0.00 C ATOM 877 OH TYR A 75 9.501 15.438 -25.263 1.00 0.00 O ATOM 0 H TYR A 75 11.065 16.038 -18.800 1.00 0.00 H new ATOM 0 HA TYR A 75 12.976 14.180 -20.081 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.622 17.200 -20.270 1.00 0.00 H new ATOM 0 HB3 TYR A 75 13.878 16.285 -21.081 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.942 14.219 -22.552 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.695 17.741 -21.498 1.00 0.00 H new ATOM 0 HE1 TYR A 75 11.470 13.863 -24.522 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.251 17.421 -23.499 1.00 0.00 H new ATOM 0 HH TYR A 75 9.060 16.280 -25.500 1.00 0.00 H new ATOM 887 N CYS A 76 13.825 14.426 -17.509 1.00 0.00 N ATOM 888 CA CYS A 76 14.814 14.476 -16.418 1.00 0.00 C ATOM 889 C CYS A 76 16.245 14.051 -16.805 1.00 0.00 C ATOM 890 O CYS A 76 17.135 14.147 -15.964 1.00 0.00 O ATOM 891 CB CYS A 76 14.326 13.708 -15.183 1.00 0.00 C ATOM 892 SG CYS A 76 12.951 14.569 -14.367 1.00 0.00 S ATOM 0 H CYS A 76 13.125 13.692 -17.402 1.00 0.00 H new ATOM 0 HA CYS A 76 14.894 15.535 -16.174 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.008 12.708 -15.477 1.00 0.00 H new ATOM 0 HB3 CYS A 76 15.150 13.586 -14.480 1.00 0.00 H new ATOM 0 HG CYS A 76 12.428 13.794 -13.464 1.00 0.00 H new ATOM 898 N GLY A 77 16.518 13.639 -18.051 1.00 0.00 N ATOM 899 CA GLY A 77 17.891 13.436 -18.543 1.00 0.00 C ATOM 900 C GLY A 77 18.763 14.703 -18.483 1.00 0.00 C ATOM 901 O GLY A 77 19.982 14.602 -18.339 1.00 0.00 O ATOM 0 H GLY A 77 15.798 13.437 -18.745 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.366 12.651 -17.955 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.850 13.082 -19.573 1.00 0.00 H new ATOM 905 N GLY A 78 18.140 15.888 -18.515 1.00 0.00 N ATOM 906 CA GLY A 78 18.774 17.193 -18.275 1.00 0.00 C ATOM 907 C GLY A 78 18.738 17.677 -16.813 1.00 0.00 C ATOM 908 O GLY A 78 19.040 18.845 -16.558 1.00 0.00 O ATOM 0 H GLY A 78 17.143 15.968 -18.716 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.814 17.140 -18.598 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.283 17.939 -18.901 1.00 0.00 H new ATOM 912 N ASP A 79 18.338 16.827 -15.859 1.00 0.00 N ATOM 913 CA ASP A 79 18.128 17.168 -14.442 1.00 0.00 C ATOM 914 C ASP A 79 19.035 16.360 -13.496 1.00 0.00 C ATOM 915 O ASP A 79 19.707 15.420 -13.924 1.00 0.00 O ATOM 916 CB ASP A 79 16.649 16.949 -14.089 1.00 0.00 C ATOM 917 CG ASP A 79 16.188 17.939 -13.012 1.00 0.00 C ATOM 918 OD1 ASP A 79 16.365 17.628 -11.815 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.699 19.036 -13.368 1.00 0.00 O ATOM 0 H ASP A 79 18.144 15.846 -16.058 1.00 0.00 H new ATOM 0 HA ASP A 79 18.397 18.215 -14.304 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.037 17.068 -14.983 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.503 15.928 -13.736 1.00 0.00 H new ATOM 924 N LEU A 80 19.000 16.668 -12.194 1.00 0.00 N ATOM 925 CA LEU A 80 19.728 15.974 -11.122 1.00 0.00 C ATOM 926 C LEU A 80 19.528 14.449 -11.185 1.00 0.00 C ATOM 927 O LEU A 80 20.494 13.698 -11.023 1.00 0.00 O ATOM 928 CB LEU A 80 19.228 16.496 -9.757 1.00 0.00 C ATOM 929 CG LEU A 80 19.767 17.841 -9.230 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.239 17.743 -8.832 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.594 19.005 -10.205 1.00 0.00 C ATOM 0 H LEU A 80 18.438 17.443 -11.842 1.00 0.00 H new ATOM 0 HA LEU A 80 20.791 16.176 -11.249 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.142 16.575 -9.812 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.455 15.735 -9.010 1.00 0.00 H new ATOM 0 HG LEU A 80 19.156 18.054 -8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.582 18.711 -8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.355 16.996 -8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.832 17.452 -9.699 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.998 19.915 -9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.126 18.786 -11.131 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.535 19.145 -10.420 1.00 0.00 H new ATOM 943 N LEU A 81 18.299 13.989 -11.484 1.00 0.00 N ATOM 944 CA LEU A 81 18.010 12.550 -11.609 1.00 0.00 C ATOM 945 C LEU A 81 18.815 11.920 -12.758 1.00 0.00 C ATOM 946 O LEU A 81 19.287 10.790 -12.649 1.00 0.00 O ATOM 947 CB LEU A 81 16.508 12.286 -11.855 1.00 0.00 C ATOM 948 CG LEU A 81 15.510 12.828 -10.824 1.00 0.00 C ATOM 949 CD1 LEU A 81 14.090 12.385 -11.169 1.00 0.00 C ATOM 950 CD2 LEU A 81 15.813 12.344 -9.403 1.00 0.00 C ATOM 0 H LEU A 81 17.492 14.592 -11.643 1.00 0.00 H new ATOM 0 HA LEU A 81 18.301 12.094 -10.663 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.248 12.707 -12.826 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.364 11.208 -11.926 1.00 0.00 H new ATOM 0 HG LEU A 81 15.602 13.914 -10.858 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.396 12.779 -10.427 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.820 12.763 -12.155 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.039 11.296 -11.172 1.00 0.00 H new ATOM 0 HD21 LEU A 81 15.077 12.757 -8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.769 11.255 -9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.810 12.675 -9.111 1.00 0.00 H new ATOM 962 N GLY A 82 18.964 12.663 -13.855 1.00 0.00 N ATOM 963 CA GLY A 82 19.684 12.260 -15.055 1.00 0.00 C ATOM 964 C GLY A 82 21.202 12.389 -14.930 1.00 0.00 C ATOM 965 O GLY A 82 21.906 11.569 -15.505 1.00 0.00 O ATOM 0 H GLY A 82 18.569 13.600 -13.931 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.434 11.225 -15.289 1.00 0.00 H new ATOM 0 HA3 GLY A 82 19.344 12.867 -15.894 1.00 0.00 H new ATOM 969 N GLU A 83 21.741 13.313 -14.126 1.00 0.00 N ATOM 970 CA GLU A 83 23.181 13.311 -13.805 1.00 0.00 C ATOM 971 C GLU A 83 23.516 12.083 -12.955 1.00 0.00 C ATOM 972 O GLU A 83 24.513 11.394 -13.184 1.00 0.00 O ATOM 973 CB GLU A 83 23.590 14.548 -12.998 1.00 0.00 C ATOM 974 CG GLU A 83 22.910 15.824 -13.452 1.00 0.00 C ATOM 975 CD GLU A 83 23.672 17.079 -12.987 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.690 17.377 -11.768 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.272 17.780 -13.840 1.00 0.00 O ATOM 0 H GLU A 83 21.212 14.066 -13.687 1.00 0.00 H new ATOM 0 HA GLU A 83 23.719 13.304 -14.753 1.00 0.00 H new ATOM 0 HB2 GLU A 83 23.359 14.378 -11.947 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.670 14.677 -13.070 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.834 15.828 -14.539 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.893 15.852 -13.062 1.00 0.00 H new ATOM 984 N LEU A 84 22.628 11.802 -11.993 1.00 0.00 N ATOM 985 CA LEU A 84 22.719 10.646 -11.103 1.00 0.00 C ATOM 986 C LEU A 84 22.684 9.296 -11.867 1.00 0.00 C ATOM 987 O LEU A 84 23.551 8.451 -11.634 1.00 0.00 O ATOM 988 CB LEU A 84 21.619 10.822 -10.038 1.00 0.00 C ATOM 989 CG LEU A 84 21.309 9.588 -9.190 1.00 0.00 C ATOM 990 CD1 LEU A 84 22.507 9.069 -8.394 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.199 9.918 -8.189 1.00 0.00 C ATOM 0 H LEU A 84 21.811 12.386 -11.811 1.00 0.00 H new ATOM 0 HA LEU A 84 23.688 10.604 -10.605 1.00 0.00 H new ATOM 0 HB2 LEU A 84 21.912 11.633 -9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.703 11.135 -10.538 1.00 0.00 H new ATOM 0 HG LEU A 84 21.012 8.811 -9.895 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.209 8.193 -7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 84 23.309 8.797 -9.080 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.858 9.847 -7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.980 9.037 -7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.524 10.731 -7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.301 10.221 -8.728 1.00 0.00 H new ATOM 1003 N LEU A 85 21.736 9.089 -12.796 1.00 0.00 N ATOM 1004 CA LEU A 85 21.621 7.844 -13.590 1.00 0.00 C ATOM 1005 C LEU A 85 22.318 7.852 -14.969 1.00 0.00 C ATOM 1006 O LEU A 85 22.328 6.825 -15.651 1.00 0.00 O ATOM 1007 CB LEU A 85 20.129 7.452 -13.733 1.00 0.00 C ATOM 1008 CG LEU A 85 19.521 6.571 -12.626 1.00 0.00 C ATOM 1009 CD1 LEU A 85 18.178 5.999 -13.084 1.00 0.00 C ATOM 1010 CD2 LEU A 85 20.380 5.374 -12.213 1.00 0.00 C ATOM 0 H LEU A 85 21.022 9.781 -13.022 1.00 0.00 H new ATOM 0 HA LEU A 85 22.171 7.094 -13.022 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.544 8.369 -13.794 1.00 0.00 H new ATOM 0 HB3 LEU A 85 20.006 6.932 -14.683 1.00 0.00 H new ATOM 0 HG LEU A 85 19.431 7.239 -11.770 1.00 0.00 H new ATOM 0 HD11 LEU A 85 17.758 5.378 -12.293 1.00 0.00 H new ATOM 0 HD12 LEU A 85 17.492 6.816 -13.307 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.326 5.395 -13.979 1.00 0.00 H new ATOM 0 HD21 LEU A 85 19.870 4.814 -11.429 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.541 4.727 -13.075 1.00 0.00 H new ATOM 0 HD23 LEU A 85 21.341 5.727 -11.840 1.00 0.00 H new ATOM 1022 N GLY A 86 22.844 8.986 -15.437 1.00 0.00 N ATOM 1023 CA GLY A 86 23.338 9.182 -16.813 1.00 0.00 C ATOM 1024 C GLY A 86 22.221 9.453 -17.843 1.00 0.00 C ATOM 1025 O GLY A 86 22.491 9.947 -18.941 1.00 0.00 O ATOM 0 H GLY A 86 22.943 9.820 -14.858 1.00 0.00 H new ATOM 0 HA2 GLY A 86 24.038 10.017 -16.822 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.894 8.296 -17.119 1.00 0.00 H new ATOM 1029 N ARG A 87 20.967 9.152 -17.474 1.00 0.00 N ATOM 1030 CA ARG A 87 19.701 9.411 -18.187 1.00 0.00 C ATOM 1031 C ARG A 87 18.540 9.371 -17.189 1.00 0.00 C ATOM 1032 O ARG A 87 18.666 8.732 -16.153 1.00 0.00 O ATOM 1033 CB ARG A 87 19.499 8.384 -19.333 1.00 0.00 C ATOM 1034 CG ARG A 87 19.047 6.955 -18.954 1.00 0.00 C ATOM 1035 CD ARG A 87 19.899 6.296 -17.862 1.00 0.00 C ATOM 1036 NE ARG A 87 19.628 4.853 -17.732 1.00 0.00 N ATOM 1037 CZ ARG A 87 20.440 3.939 -17.229 1.00 0.00 C ATOM 1038 NH1 ARG A 87 21.566 4.245 -16.646 1.00 0.00 N ATOM 1039 NH2 ARG A 87 20.128 2.677 -17.300 1.00 0.00 N ATOM 0 H ARG A 87 20.794 8.677 -16.588 1.00 0.00 H new ATOM 0 HA ARG A 87 19.736 10.401 -18.642 1.00 0.00 H new ATOM 0 HB2 ARG A 87 18.763 8.795 -20.024 1.00 0.00 H new ATOM 0 HB3 ARG A 87 20.439 8.303 -19.879 1.00 0.00 H new ATOM 0 HG2 ARG A 87 18.010 6.991 -18.619 1.00 0.00 H new ATOM 0 HG3 ARG A 87 19.072 6.329 -19.846 1.00 0.00 H new ATOM 0 HD2 ARG A 87 20.955 6.446 -18.089 1.00 0.00 H new ATOM 0 HD3 ARG A 87 19.705 6.787 -16.908 1.00 0.00 H new ATOM 0 HE ARG A 87 18.721 4.526 -18.064 1.00 0.00 H new ATOM 0 HH11 ARG A 87 21.849 5.221 -16.565 1.00 0.00 H new ATOM 0 HH12 ARG A 87 22.163 3.508 -16.271 1.00 0.00 H new ATOM 0 HH21 ARG A 87 19.255 2.392 -17.744 1.00 0.00 H new ATOM 0 HH22 ARG A 87 20.756 1.974 -16.911 1.00 0.00 H new ATOM 1053 N GLN A 88 17.422 10.034 -17.467 1.00 0.00 N ATOM 1054 CA GLN A 88 16.173 9.873 -16.688 1.00 0.00 C ATOM 1055 C GLN A 88 14.950 10.431 -17.430 1.00 0.00 C ATOM 1056 O GLN A 88 13.960 10.804 -16.812 1.00 0.00 O ATOM 1057 CB GLN A 88 16.331 10.436 -15.248 1.00 0.00 C ATOM 1058 CG GLN A 88 16.363 9.331 -14.164 1.00 0.00 C ATOM 1059 CD GLN A 88 15.118 9.216 -13.278 1.00 0.00 C ATOM 1060 OE1 GLN A 88 14.061 9.772 -13.526 1.00 0.00 O ATOM 1061 NE2 GLN A 88 15.209 8.499 -12.170 1.00 0.00 N ATOM 0 H GLN A 88 17.344 10.700 -18.235 1.00 0.00 H new ATOM 0 HA GLN A 88 15.983 8.805 -16.582 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.250 11.019 -15.191 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.507 11.118 -15.039 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.522 8.372 -14.657 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.226 9.506 -13.521 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.082 8.024 -11.940 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.406 8.421 -11.546 1.00 0.00 H new ATOM 1070 N SER A 89 14.991 10.490 -18.765 1.00 0.00 N ATOM 1071 CA SER A 89 13.810 10.922 -19.536 1.00 0.00 C ATOM 1072 C SER A 89 12.902 9.714 -19.758 1.00 0.00 C ATOM 1073 O SER A 89 13.358 8.629 -20.130 1.00 0.00 O ATOM 1074 CB SER A 89 14.159 11.621 -20.841 1.00 0.00 C ATOM 1075 OG SER A 89 15.071 12.680 -20.576 1.00 0.00 O ATOM 0 H SER A 89 15.807 10.251 -19.328 1.00 0.00 H new ATOM 0 HA SER A 89 13.283 11.678 -18.954 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.601 10.911 -21.541 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.256 12.012 -21.311 1.00 0.00 H new ATOM 0 HG SER A 89 15.300 13.132 -21.415 1.00 0.00 H new ATOM 1081 N PHE A 90 11.617 9.908 -19.485 1.00 0.00 N ATOM 1082 CA PHE A 90 10.629 8.827 -19.374 1.00 0.00 C ATOM 1083 C PHE A 90 9.186 9.295 -19.505 1.00 0.00 C ATOM 1084 O PHE A 90 8.897 10.487 -19.634 1.00 0.00 O ATOM 1085 CB PHE A 90 10.818 8.149 -17.993 1.00 0.00 C ATOM 1086 CG PHE A 90 10.164 8.882 -16.824 1.00 0.00 C ATOM 1087 CD1 PHE A 90 10.669 10.117 -16.372 1.00 0.00 C ATOM 1088 CD2 PHE A 90 9.021 8.343 -16.204 1.00 0.00 C ATOM 1089 CE1 PHE A 90 10.044 10.802 -15.315 1.00 0.00 C ATOM 1090 CE2 PHE A 90 8.373 9.044 -15.172 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.887 10.271 -14.721 1.00 0.00 C ATOM 0 H PHE A 90 11.220 10.835 -19.331 1.00 0.00 H new ATOM 0 HA PHE A 90 10.803 8.139 -20.202 1.00 0.00 H new ATOM 0 HB2 PHE A 90 10.413 7.138 -18.042 1.00 0.00 H new ATOM 0 HB3 PHE A 90 11.885 8.055 -17.793 1.00 0.00 H new ATOM 0 HD1 PHE A 90 11.544 10.541 -16.842 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.639 7.384 -16.523 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.453 11.736 -14.960 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.478 8.638 -14.725 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.395 10.804 -13.921 1.00 0.00 H new ATOM 1101 N SER A 91 8.282 8.319 -19.436 1.00 0.00 N ATOM 1102 CA SER A 91 6.847 8.529 -19.404 1.00 0.00 C ATOM 1103 C SER A 91 6.174 7.916 -18.179 1.00 0.00 C ATOM 1104 O SER A 91 6.460 6.790 -17.764 1.00 0.00 O ATOM 1105 CB SER A 91 6.235 8.016 -20.692 1.00 0.00 C ATOM 1106 OG SER A 91 6.398 6.614 -20.844 1.00 0.00 O ATOM 0 H SER A 91 8.542 7.333 -19.400 1.00 0.00 H new ATOM 0 HA SER A 91 6.672 9.602 -19.320 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.173 8.260 -20.710 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.694 8.527 -21.539 1.00 0.00 H new ATOM 0 HG SER A 91 5.987 6.326 -21.686 1.00 0.00 H new ATOM 1112 N VAL A 92 5.241 8.668 -17.594 1.00 0.00 N ATOM 1113 CA VAL A 92 4.588 8.307 -16.328 1.00 0.00 C ATOM 1114 C VAL A 92 3.565 7.166 -16.450 1.00 0.00 C ATOM 1115 O VAL A 92 3.198 6.549 -15.450 1.00 0.00 O ATOM 1116 CB VAL A 92 3.935 9.536 -15.663 1.00 0.00 C ATOM 1117 CG1 VAL A 92 4.876 10.725 -15.449 1.00 0.00 C ATOM 1118 CG2 VAL A 92 2.783 10.083 -16.502 1.00 0.00 C ATOM 0 H VAL A 92 4.913 9.551 -17.985 1.00 0.00 H new ATOM 0 HA VAL A 92 5.391 7.933 -15.693 1.00 0.00 H new ATOM 0 HB VAL A 92 3.610 9.148 -14.698 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.329 11.541 -14.977 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.704 10.423 -14.807 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.266 11.058 -16.411 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.348 10.948 -16.002 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.156 10.380 -17.482 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.022 9.312 -16.622 1.00 0.00 H new ATOM 1128 N LYS A 93 3.119 6.871 -17.680 1.00 0.00 N ATOM 1129 CA LYS A 93 2.106 5.851 -18.015 1.00 0.00 C ATOM 1130 C LYS A 93 2.641 4.412 -18.122 1.00 0.00 C ATOM 1131 O LYS A 93 1.860 3.478 -18.303 1.00 0.00 O ATOM 1132 CB LYS A 93 1.380 6.280 -19.303 1.00 0.00 C ATOM 1133 CG LYS A 93 2.288 6.290 -20.546 1.00 0.00 C ATOM 1134 CD LYS A 93 1.498 6.656 -21.808 1.00 0.00 C ATOM 1135 CE LYS A 93 2.422 6.590 -23.029 1.00 0.00 C ATOM 1136 NZ LYS A 93 1.682 6.868 -24.292 1.00 0.00 N ATOM 0 H LYS A 93 3.468 7.356 -18.507 1.00 0.00 H new ATOM 0 HA LYS A 93 1.411 5.808 -17.176 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.542 5.605 -19.480 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.962 7.277 -19.160 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.099 7.004 -20.402 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.746 5.309 -20.673 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.660 5.971 -21.936 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.079 7.658 -21.710 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.230 7.312 -22.914 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.882 5.603 -23.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.338 6.815 -25.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.926 6.164 -24.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.265 7.820 -24.248 1.00 0.00 H new ATOM 1150 N ASP A 94 3.959 4.238 -18.035 1.00 0.00 N ATOM 1151 CA ASP A 94 4.680 2.977 -18.239 1.00 0.00 C ATOM 1152 C ASP A 94 5.435 2.566 -16.949 1.00 0.00 C ATOM 1153 O ASP A 94 6.614 2.894 -16.784 1.00 0.00 O ATOM 1154 CB ASP A 94 5.573 3.113 -19.486 1.00 0.00 C ATOM 1155 CG ASP A 94 6.081 1.760 -20.021 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.709 0.688 -19.485 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.825 1.764 -21.032 1.00 0.00 O ATOM 0 H ASP A 94 4.587 5.010 -17.809 1.00 0.00 H new ATOM 0 HA ASP A 94 3.989 2.157 -18.433 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.013 3.620 -20.272 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.428 3.745 -19.245 1.00 0.00 H new ATOM 1162 N PRO A 95 4.757 1.907 -15.983 1.00 0.00 N ATOM 1163 CA PRO A 95 5.285 1.648 -14.638 1.00 0.00 C ATOM 1164 C PRO A 95 6.504 0.712 -14.579 1.00 0.00 C ATOM 1165 O PRO A 95 7.345 0.886 -13.696 1.00 0.00 O ATOM 1166 CB PRO A 95 4.105 1.084 -13.834 1.00 0.00 C ATOM 1167 CG PRO A 95 3.161 0.530 -14.899 1.00 0.00 C ATOM 1168 CD PRO A 95 3.355 1.528 -16.035 1.00 0.00 C ATOM 0 HA PRO A 95 5.676 2.578 -14.226 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.429 0.305 -13.144 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.623 1.858 -13.237 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.429 -0.484 -15.195 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.128 0.499 -14.554 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.105 1.081 -16.997 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.709 2.397 -15.909 1.00 0.00 H new ATOM 1176 N SER A 96 6.645 -0.252 -15.497 1.00 0.00 N ATOM 1177 CA SER A 96 7.743 -1.237 -15.469 1.00 0.00 C ATOM 1178 C SER A 96 9.147 -0.614 -15.592 1.00 0.00 C ATOM 1179 O SER A 96 9.970 -0.852 -14.701 1.00 0.00 O ATOM 1180 CB SER A 96 7.554 -2.326 -16.531 1.00 0.00 C ATOM 1181 OG SER A 96 6.355 -3.050 -16.290 1.00 0.00 O ATOM 0 H SER A 96 6.004 -0.375 -16.281 1.00 0.00 H new ATOM 0 HA SER A 96 7.688 -1.689 -14.479 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.521 -1.874 -17.522 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.406 -3.006 -16.519 1.00 0.00 H new ATOM 0 HG SER A 96 6.246 -3.741 -16.977 1.00 0.00 H new ATOM 1187 N PRO A 97 9.458 0.211 -16.619 1.00 0.00 N ATOM 1188 CA PRO A 97 10.750 0.895 -16.697 1.00 0.00 C ATOM 1189 C PRO A 97 10.911 1.988 -15.625 1.00 0.00 C ATOM 1190 O PRO A 97 12.026 2.256 -15.181 1.00 0.00 O ATOM 1191 CB PRO A 97 10.819 1.482 -18.113 1.00 0.00 C ATOM 1192 CG PRO A 97 9.353 1.686 -18.487 1.00 0.00 C ATOM 1193 CD PRO A 97 8.684 0.487 -17.823 1.00 0.00 C ATOM 0 HA PRO A 97 11.566 0.199 -16.504 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.372 2.421 -18.132 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.319 0.804 -18.805 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.964 2.631 -18.109 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.204 1.689 -19.567 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.645 0.707 -17.577 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.678 -0.375 -18.490 1.00 0.00 H new ATOM 1201 N LEU A 98 9.810 2.600 -15.170 1.00 0.00 N ATOM 1202 CA LEU A 98 9.796 3.643 -14.146 1.00 0.00 C ATOM 1203 C LEU A 98 10.228 3.102 -12.767 1.00 0.00 C ATOM 1204 O LEU A 98 11.068 3.709 -12.098 1.00 0.00 O ATOM 1205 CB LEU A 98 8.381 4.256 -14.180 1.00 0.00 C ATOM 1206 CG LEU A 98 7.972 5.104 -12.973 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.888 6.306 -12.772 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.536 5.595 -13.158 1.00 0.00 C ATOM 0 H LEU A 98 8.878 2.373 -15.517 1.00 0.00 H new ATOM 0 HA LEU A 98 10.531 4.423 -14.346 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.299 4.874 -15.074 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.661 3.445 -14.286 1.00 0.00 H new ATOM 0 HG LEU A 98 8.053 4.472 -12.089 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.556 6.875 -11.904 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.910 5.962 -12.611 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.854 6.941 -13.657 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.244 6.199 -12.299 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.471 6.198 -14.064 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.867 4.739 -13.244 1.00 0.00 H new ATOM 1220 N TYR A 99 9.714 1.933 -12.373 1.00 0.00 N ATOM 1221 CA TYR A 99 10.063 1.242 -11.125 1.00 0.00 C ATOM 1222 C TYR A 99 11.575 0.988 -10.982 1.00 0.00 C ATOM 1223 O TYR A 99 12.132 1.177 -9.901 1.00 0.00 O ATOM 1224 CB TYR A 99 9.282 -0.079 -11.078 1.00 0.00 C ATOM 1225 CG TYR A 99 9.653 -0.998 -9.927 1.00 0.00 C ATOM 1226 CD1 TYR A 99 9.300 -0.659 -8.605 1.00 0.00 C ATOM 1227 CD2 TYR A 99 10.360 -2.190 -10.182 1.00 0.00 C ATOM 1228 CE1 TYR A 99 9.649 -1.513 -7.541 1.00 0.00 C ATOM 1229 CE2 TYR A 99 10.705 -3.050 -9.122 1.00 0.00 C ATOM 1230 CZ TYR A 99 10.348 -2.714 -7.797 1.00 0.00 C ATOM 1231 OH TYR A 99 10.665 -3.549 -6.769 1.00 0.00 O ATOM 0 H TYR A 99 9.024 1.426 -12.928 1.00 0.00 H new ATOM 0 HA TYR A 99 9.791 1.883 -10.286 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.217 0.147 -11.016 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.440 -0.612 -12.016 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.762 0.256 -8.408 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.638 -2.445 -11.194 1.00 0.00 H new ATOM 0 HE1 TYR A 99 9.382 -1.250 -6.528 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.242 -3.966 -9.322 1.00 0.00 H new ATOM 0 HH TYR A 99 11.144 -4.330 -7.118 1.00 0.00 H new ATOM 1241 N ASP A 100 12.254 0.632 -12.078 1.00 0.00 N ATOM 1242 CA ASP A 100 13.707 0.412 -12.102 1.00 0.00 C ATOM 1243 C ASP A 100 14.496 1.665 -11.689 1.00 0.00 C ATOM 1244 O ASP A 100 15.382 1.597 -10.836 1.00 0.00 O ATOM 1245 CB ASP A 100 14.120 -0.020 -13.512 1.00 0.00 C ATOM 1246 CG ASP A 100 15.601 -0.424 -13.565 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.949 -1.535 -13.102 1.00 0.00 O ATOM 1248 OD2 ASP A 100 16.431 0.373 -14.062 1.00 0.00 O ATOM 0 H ASP A 100 11.807 0.487 -12.983 1.00 0.00 H new ATOM 0 HA ASP A 100 13.942 -0.367 -11.377 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.501 -0.858 -13.833 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.939 0.796 -14.212 1.00 0.00 H new ATOM 1253 N MET A 101 14.140 2.823 -12.255 1.00 0.00 N ATOM 1254 CA MET A 101 14.786 4.102 -11.920 1.00 0.00 C ATOM 1255 C MET A 101 14.449 4.564 -10.495 1.00 0.00 C ATOM 1256 O MET A 101 15.324 5.042 -9.775 1.00 0.00 O ATOM 1257 CB MET A 101 14.365 5.227 -12.869 1.00 0.00 C ATOM 1258 CG MET A 101 14.279 4.915 -14.363 1.00 0.00 C ATOM 1259 SD MET A 101 13.766 6.345 -15.367 1.00 0.00 S ATOM 1260 CE MET A 101 12.307 6.918 -14.436 1.00 0.00 C ATOM 0 H MET A 101 13.401 2.903 -12.954 1.00 0.00 H new ATOM 0 HA MET A 101 15.855 3.911 -12.012 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.388 5.587 -12.547 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.066 6.051 -12.740 1.00 0.00 H new ATOM 0 HG2 MET A 101 15.251 4.565 -14.711 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.573 4.099 -14.517 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.532 7.237 -15.134 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.927 6.104 -13.819 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.588 7.756 -13.798 1.00 0.00 H new ATOM 1270 N LEU A 102 13.184 4.419 -10.082 1.00 0.00 N ATOM 1271 CA LEU A 102 12.716 4.713 -8.723 1.00 0.00 C ATOM 1272 C LEU A 102 13.532 3.929 -7.691 1.00 0.00 C ATOM 1273 O LEU A 102 14.188 4.557 -6.864 1.00 0.00 O ATOM 1274 CB LEU A 102 11.201 4.442 -8.594 1.00 0.00 C ATOM 1275 CG LEU A 102 10.272 5.473 -9.272 1.00 0.00 C ATOM 1276 CD1 LEU A 102 8.832 4.971 -9.166 1.00 0.00 C ATOM 1277 CD2 LEU A 102 10.368 6.848 -8.607 1.00 0.00 C ATOM 0 H LEU A 102 12.441 4.087 -10.697 1.00 0.00 H new ATOM 0 HA LEU A 102 12.870 5.773 -8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.990 3.459 -9.015 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.949 4.396 -7.535 1.00 0.00 H new ATOM 0 HG LEU A 102 10.579 5.581 -10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.161 5.687 -9.640 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.745 4.006 -9.666 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.562 4.861 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.700 7.544 -9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.081 6.766 -7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.392 7.214 -8.675 1.00 0.00 H new ATOM 1289 N ARG A 103 13.621 2.596 -7.802 1.00 0.00 N ATOM 1290 CA ARG A 103 14.395 1.724 -6.916 1.00 0.00 C ATOM 1291 C ARG A 103 15.862 2.165 -6.760 1.00 0.00 C ATOM 1292 O ARG A 103 16.445 2.004 -5.687 1.00 0.00 O ATOM 1293 CB ARG A 103 14.256 0.307 -7.507 1.00 0.00 C ATOM 1294 CG ARG A 103 14.973 -0.742 -6.667 1.00 0.00 C ATOM 1295 CD ARG A 103 14.809 -2.146 -7.258 1.00 0.00 C ATOM 1296 NE ARG A 103 15.670 -3.121 -6.558 1.00 0.00 N ATOM 1297 CZ ARG A 103 15.975 -4.344 -6.959 1.00 0.00 C ATOM 1298 NH1 ARG A 103 15.480 -4.862 -8.048 1.00 0.00 N ATOM 1299 NH2 ARG A 103 16.788 -5.082 -6.260 1.00 0.00 N ATOM 0 H ARG A 103 13.138 2.080 -8.538 1.00 0.00 H new ATOM 0 HA ARG A 103 14.011 1.767 -5.897 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.200 0.049 -7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.660 0.297 -8.519 1.00 0.00 H new ATOM 0 HG2 ARG A 103 16.033 -0.495 -6.603 1.00 0.00 H new ATOM 0 HG3 ARG A 103 14.580 -0.726 -5.651 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.767 -2.456 -7.183 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.061 -2.129 -8.318 1.00 0.00 H new ATOM 0 HE ARG A 103 16.072 -2.819 -5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.834 -4.320 -8.623 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.738 -5.809 -8.326 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.194 -4.718 -5.398 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.019 -6.024 -6.574 1.00 0.00 H new ATOM 1313 N LYS A 104 16.438 2.760 -7.811 1.00 0.00 N ATOM 1314 CA LYS A 104 17.806 3.310 -7.834 1.00 0.00 C ATOM 1315 C LYS A 104 17.932 4.681 -7.159 1.00 0.00 C ATOM 1316 O LYS A 104 18.991 4.960 -6.591 1.00 0.00 O ATOM 1317 CB LYS A 104 18.309 3.330 -9.293 1.00 0.00 C ATOM 1318 CG LYS A 104 18.552 1.884 -9.767 1.00 0.00 C ATOM 1319 CD LYS A 104 18.791 1.753 -11.275 1.00 0.00 C ATOM 1320 CE LYS A 104 18.916 0.258 -11.603 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.998 0.010 -13.066 1.00 0.00 N ATOM 0 H LYS A 104 15.952 2.878 -8.700 1.00 0.00 H new ATOM 0 HA LYS A 104 18.441 2.657 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.576 3.817 -9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.230 3.908 -9.364 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.414 1.479 -9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.692 1.273 -9.492 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.967 2.199 -11.832 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.697 2.285 -11.566 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.804 -0.146 -11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.058 -0.275 -11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.200 -0.996 -13.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.093 0.262 -13.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.759 0.590 -13.474 1.00 0.00 H new ATOM 1335 N ASN A 105 16.877 5.508 -7.162 1.00 0.00 N ATOM 1336 CA ASN A 105 16.963 6.909 -6.694 1.00 0.00 C ATOM 1337 C ASN A 105 16.222 7.164 -5.359 1.00 0.00 C ATOM 1338 O ASN A 105 16.534 8.119 -4.652 1.00 0.00 O ATOM 1339 CB ASN A 105 16.542 7.836 -7.857 1.00 0.00 C ATOM 1340 CG ASN A 105 17.519 7.853 -9.031 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.476 7.103 -9.126 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.335 8.764 -9.961 1.00 0.00 N ATOM 0 H ASN A 105 15.948 5.235 -7.484 1.00 0.00 H new ATOM 0 HA ASN A 105 17.995 7.142 -6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.562 7.524 -8.219 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.432 8.851 -7.476 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.986 8.833 -10.743 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.541 9.401 -9.901 1.00 0.00 H new ATOM 1349 N LEU A 106 15.295 6.291 -4.968 1.00 0.00 N ATOM 1350 CA LEU A 106 14.666 6.230 -3.646 1.00 0.00 C ATOM 1351 C LEU A 106 15.047 4.869 -3.046 1.00 0.00 C ATOM 1352 O LEU A 106 14.518 3.836 -3.456 1.00 0.00 O ATOM 1353 CB LEU A 106 13.142 6.435 -3.774 1.00 0.00 C ATOM 1354 CG LEU A 106 12.356 6.179 -2.468 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.761 7.116 -1.328 1.00 0.00 C ATOM 1356 CD2 LEU A 106 10.864 6.376 -2.713 1.00 0.00 C ATOM 0 H LEU A 106 14.943 5.569 -5.596 1.00 0.00 H new ATOM 0 HA LEU A 106 15.012 7.023 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.951 7.455 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.761 5.771 -4.550 1.00 0.00 H new ATOM 0 HG LEU A 106 12.588 5.155 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.173 6.884 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.820 6.983 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.579 8.149 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.316 6.194 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.682 7.397 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.526 5.678 -3.479 1.00 0.00 H new