USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 7 THR OG1 : rot 129:sc= 0.561 USER MOD Set 1.2: A 9 THR OG1 : rot -140:sc= 0.483 USER MOD Set 1.3: A 11 LYS NZ :NH3+ 165:sc= -0.0908 (180deg=-0.456) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -151:sc= -0.397 (180deg=-2.04!) USER MOD Single : A 2 GLN : amide:sc= -1.02! K(o=-1!,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 153:sc= -0.125 (180deg=-0.844) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 26:sc= 0.129 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -5.5! C(o=-5.5!,f=-12!) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= -6.47! (180deg=-6.95!) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.0523 (180deg=-0.406) USER MOD Single : A 31 GLN : amide:sc= -4.22! K(o=-4.2!,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.224) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= -3.18! C(o=-3.2!,f=-2!) USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= -0.246 (180deg=-1.37!) USER MOD Single : A 49 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0802 K(o=-0.08,f=-1.3!) USER MOD Single : A 68 HIS : no HE2:sc= -3.04 K(o=-3,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.259 27.976 4.206 1.00 0.00 N ATOM 2 CA MET A 1 27.364 28.800 3.345 1.00 0.00 C ATOM 3 C MET A 1 26.780 29.949 4.170 1.00 0.00 C ATOM 4 O MET A 1 25.672 29.873 4.661 1.00 0.00 O ATOM 5 CB MET A 1 26.228 27.930 2.806 1.00 0.00 C ATOM 6 CG MET A 1 25.363 28.753 1.851 1.00 0.00 C ATOM 7 SD MET A 1 24.078 27.696 1.138 1.00 0.00 S ATOM 8 CE MET A 1 23.287 28.960 0.112 1.00 0.00 C ATOM 0 H1 MET A 1 29.002 27.543 3.621 1.00 0.00 H new ATOM 0 H2 MET A 1 28.697 28.581 4.930 1.00 0.00 H new ATOM 0 H3 MET A 1 27.704 27.229 4.669 1.00 0.00 H new ATOM 0 HA MET A 1 27.936 29.205 2.510 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.635 27.062 2.288 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.622 27.554 3.630 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.908 29.588 2.384 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.980 29.178 1.059 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.450 28.518 -0.428 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.924 29.768 0.746 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.011 29.355 -0.601 1.00 0.00 H new ATOM 20 N GLN A 2 27.517 31.016 4.325 1.00 0.00 N ATOM 21 CA GLN A 2 27.003 32.168 5.118 1.00 0.00 C ATOM 22 C GLN A 2 26.525 31.674 6.485 1.00 0.00 C ATOM 23 O GLN A 2 25.361 31.774 6.820 1.00 0.00 O ATOM 24 CB GLN A 2 25.835 32.821 4.370 1.00 0.00 C ATOM 25 CG GLN A 2 25.566 34.210 4.950 1.00 0.00 C ATOM 26 CD GLN A 2 24.481 34.905 4.126 1.00 0.00 C ATOM 27 OE1 GLN A 2 24.263 36.093 4.263 1.00 0.00 O ATOM 28 NE2 GLN A 2 23.784 34.211 3.268 1.00 0.00 N ATOM 0 H GLN A 2 28.452 31.139 3.937 1.00 0.00 H new ATOM 0 HA GLN A 2 27.799 32.899 5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.068 32.898 3.308 1.00 0.00 H new ATOM 0 HB3 GLN A 2 24.943 32.201 4.456 1.00 0.00 H new ATOM 0 HG2 GLN A 2 25.250 34.127 5.990 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.481 34.803 4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 2 23.965 33.214 3.151 1.00 0.00 H new ATOM 0 HE22 GLN A 2 23.058 34.666 2.714 1.00 0.00 H new ATOM 37 N ILE A 3 27.414 31.141 7.278 1.00 0.00 N ATOM 38 CA ILE A 3 27.011 30.641 8.622 1.00 0.00 C ATOM 39 C ILE A 3 26.728 31.827 9.544 1.00 0.00 C ATOM 40 O ILE A 3 27.475 32.782 9.587 1.00 0.00 O ATOM 41 CB ILE A 3 28.140 29.797 9.214 1.00 0.00 C ATOM 42 CG1 ILE A 3 28.444 28.626 8.276 1.00 0.00 C ATOM 43 CG2 ILE A 3 27.712 29.257 10.581 1.00 0.00 C ATOM 44 CD1 ILE A 3 29.703 27.904 8.755 1.00 0.00 C ATOM 0 H ILE A 3 28.403 31.030 7.053 1.00 0.00 H new ATOM 0 HA ILE A 3 26.113 30.031 8.526 1.00 0.00 H new ATOM 0 HB ILE A 3 29.032 30.413 9.330 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.601 27.935 8.255 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.585 28.989 7.258 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.517 28.655 11.003 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.493 30.090 11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 3 26.820 28.641 10.466 1.00 0.00 H new ATOM 0 HD11 ILE A 3 29.920 27.070 8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.543 28.598 8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.545 27.528 9.766 1.00 0.00 H new ATOM 56 N PHE A 4 25.655 31.772 10.285 1.00 0.00 N ATOM 57 CA PHE A 4 25.322 32.895 11.211 1.00 0.00 C ATOM 58 C PHE A 4 26.048 32.687 12.542 1.00 0.00 C ATOM 59 O PHE A 4 26.274 31.573 12.969 1.00 0.00 O ATOM 60 CB PHE A 4 23.811 32.929 11.450 1.00 0.00 C ATOM 61 CG PHE A 4 23.114 33.402 10.197 1.00 0.00 C ATOM 62 CD1 PHE A 4 22.686 32.472 9.242 1.00 0.00 C ATOM 63 CD2 PHE A 4 22.898 34.769 9.990 1.00 0.00 C ATOM 64 CE1 PHE A 4 22.040 32.910 8.079 1.00 0.00 C ATOM 65 CE2 PHE A 4 22.253 35.208 8.828 1.00 0.00 C ATOM 66 CZ PHE A 4 21.824 34.278 7.871 1.00 0.00 C ATOM 0 H PHE A 4 24.992 30.997 10.290 1.00 0.00 H new ATOM 0 HA PHE A 4 25.638 33.839 10.768 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.453 31.937 11.726 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.578 33.594 12.282 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.854 31.417 9.402 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.229 35.486 10.727 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.708 32.193 7.343 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.086 36.263 8.669 1.00 0.00 H new ATOM 0 HZ PHE A 4 21.327 34.616 6.974 1.00 0.00 H new ATOM 76 N VAL A 5 26.402 33.755 13.207 1.00 0.00 N ATOM 77 CA VAL A 5 27.104 33.634 14.521 1.00 0.00 C ATOM 78 C VAL A 5 26.609 34.742 15.453 1.00 0.00 C ATOM 79 O VAL A 5 26.931 35.899 15.270 1.00 0.00 O ATOM 80 CB VAL A 5 28.613 33.778 14.310 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.339 33.527 15.632 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.080 32.758 13.270 1.00 0.00 C ATOM 0 H VAL A 5 26.235 34.712 12.895 1.00 0.00 H new ATOM 0 HA VAL A 5 26.895 32.660 14.963 1.00 0.00 H new ATOM 0 HB VAL A 5 28.837 34.785 13.959 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.414 33.629 15.482 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.005 34.253 16.374 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.116 32.520 15.984 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.155 32.859 13.118 1.00 0.00 H new ATOM 0 HG22 VAL A 5 28.856 31.751 13.622 1.00 0.00 H new ATOM 0 HG23 VAL A 5 28.562 32.936 12.328 1.00 0.00 H new ATOM 92 N LYS A 6 25.824 34.401 16.444 1.00 0.00 N ATOM 93 CA LYS A 6 25.296 35.437 17.391 1.00 0.00 C ATOM 94 C LYS A 6 26.003 35.309 18.743 1.00 0.00 C ATOM 95 O LYS A 6 26.128 34.232 19.291 1.00 0.00 O ATOM 96 CB LYS A 6 23.791 35.220 17.590 1.00 0.00 C ATOM 97 CG LYS A 6 23.062 35.273 16.238 1.00 0.00 C ATOM 98 CD LYS A 6 22.836 36.729 15.811 1.00 0.00 C ATOM 99 CE LYS A 6 21.957 36.761 14.560 1.00 0.00 C ATOM 100 NZ LYS A 6 20.620 36.182 14.878 1.00 0.00 N ATOM 0 H LYS A 6 25.524 33.446 16.641 1.00 0.00 H new ATOM 0 HA LYS A 6 25.477 36.429 16.978 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.616 34.256 18.068 1.00 0.00 H new ATOM 0 HB3 LYS A 6 23.391 35.984 18.257 1.00 0.00 H new ATOM 0 HG2 LYS A 6 23.648 34.752 15.481 1.00 0.00 H new ATOM 0 HG3 LYS A 6 22.105 34.756 16.313 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.360 37.286 16.618 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.792 37.213 15.610 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.847 37.786 14.206 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.429 36.195 13.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.905 36.590 14.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.649 35.150 14.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.372 36.401 15.864 1.00 0.00 H new ATOM 114 N THR A 7 26.457 36.409 19.288 1.00 0.00 N ATOM 115 CA THR A 7 27.150 36.375 20.614 1.00 0.00 C ATOM 116 C THR A 7 26.178 36.849 21.695 1.00 0.00 C ATOM 117 O THR A 7 25.089 37.304 21.406 1.00 0.00 O ATOM 118 CB THR A 7 28.362 37.307 20.579 1.00 0.00 C ATOM 119 OG1 THR A 7 27.917 38.655 20.525 1.00 0.00 O ATOM 120 CG2 THR A 7 29.211 36.999 19.345 1.00 0.00 C ATOM 0 H THR A 7 26.377 37.336 18.869 1.00 0.00 H new ATOM 0 HA THR A 7 27.480 35.359 20.832 1.00 0.00 H new ATOM 0 HB THR A 7 28.963 37.156 21.476 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.361 39.175 21.227 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.074 37.664 19.322 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.551 35.964 19.387 1.00 0.00 H new ATOM 0 HG23 THR A 7 28.614 37.149 18.446 1.00 0.00 H new ATOM 128 N LEU A 8 26.559 36.750 22.940 1.00 0.00 N ATOM 129 CA LEU A 8 25.649 37.202 24.029 1.00 0.00 C ATOM 130 C LEU A 8 25.604 38.732 24.049 1.00 0.00 C ATOM 131 O LEU A 8 24.727 39.330 24.640 1.00 0.00 O ATOM 132 CB LEU A 8 26.167 36.692 25.376 1.00 0.00 C ATOM 133 CG LEU A 8 26.473 35.194 25.281 1.00 0.00 C ATOM 134 CD1 LEU A 8 26.931 34.684 26.651 1.00 0.00 C ATOM 135 CD2 LEU A 8 25.215 34.431 24.845 1.00 0.00 C ATOM 0 H LEU A 8 27.457 36.377 23.248 1.00 0.00 H new ATOM 0 HA LEU A 8 24.648 36.807 23.853 1.00 0.00 H new ATOM 0 HB2 LEU A 8 27.066 37.239 25.661 1.00 0.00 H new ATOM 0 HB3 LEU A 8 25.424 36.872 26.153 1.00 0.00 H new ATOM 0 HG LEU A 8 27.261 35.032 24.546 1.00 0.00 H new ATOM 0 HD11 LEU A 8 27.150 33.618 26.588 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.828 35.221 26.958 1.00 0.00 H new ATOM 0 HD13 LEU A 8 26.141 34.849 27.384 1.00 0.00 H new ATOM 0 HD21 LEU A 8 25.440 33.366 24.779 1.00 0.00 H new ATOM 0 HD22 LEU A 8 24.422 34.590 25.575 1.00 0.00 H new ATOM 0 HD23 LEU A 8 24.889 34.794 23.870 1.00 0.00 H new ATOM 147 N THR A 9 26.546 39.371 23.406 1.00 0.00 N ATOM 148 CA THR A 9 26.563 40.864 23.384 1.00 0.00 C ATOM 149 C THR A 9 25.729 41.370 22.205 1.00 0.00 C ATOM 150 O THR A 9 25.592 42.558 21.993 1.00 0.00 O ATOM 151 CB THR A 9 28.005 41.352 23.233 1.00 0.00 C ATOM 152 OG1 THR A 9 28.549 40.846 22.022 1.00 0.00 O ATOM 153 CG2 THR A 9 28.839 40.858 24.415 1.00 0.00 C ATOM 0 H THR A 9 27.306 38.923 22.894 1.00 0.00 H new ATOM 0 HA THR A 9 26.142 41.245 24.314 1.00 0.00 H new ATOM 0 HB THR A 9 28.020 42.442 23.212 1.00 0.00 H new ATOM 0 HG1 THR A 9 29.480 40.577 22.169 1.00 0.00 H new ATOM 0 HG21 THR A 9 29.866 41.206 24.306 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.420 41.247 25.343 1.00 0.00 H new ATOM 0 HG23 THR A 9 28.826 39.768 24.439 1.00 0.00 H new ATOM 161 N GLY A 10 25.170 40.476 21.433 1.00 0.00 N ATOM 162 CA GLY A 10 24.345 40.903 20.262 1.00 0.00 C ATOM 163 C GLY A 10 25.245 41.070 19.036 1.00 0.00 C ATOM 164 O GLY A 10 24.776 41.236 17.927 1.00 0.00 O ATOM 0 H GLY A 10 25.248 39.467 21.562 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.571 40.163 20.060 1.00 0.00 H new ATOM 0 HA3 GLY A 10 23.838 41.842 20.484 1.00 0.00 H new ATOM 168 N LYS A 11 26.533 41.025 19.227 1.00 0.00 N ATOM 169 CA LYS A 11 27.462 41.179 18.073 1.00 0.00 C ATOM 170 C LYS A 11 27.200 40.058 17.064 1.00 0.00 C ATOM 171 O LYS A 11 27.500 38.906 17.310 1.00 0.00 O ATOM 172 CB LYS A 11 28.910 41.099 18.560 1.00 0.00 C ATOM 173 CG LYS A 11 29.239 42.339 19.394 1.00 0.00 C ATOM 174 CD LYS A 11 30.683 42.251 19.891 1.00 0.00 C ATOM 175 CE LYS A 11 31.032 43.519 20.672 1.00 0.00 C ATOM 176 NZ LYS A 11 30.152 43.624 21.871 1.00 0.00 N ATOM 0 H LYS A 11 26.983 40.888 20.132 1.00 0.00 H new ATOM 0 HA LYS A 11 27.297 42.147 17.600 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.055 40.198 19.156 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.588 41.030 17.709 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.104 43.240 18.795 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.556 42.413 20.240 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.807 41.374 20.526 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.363 42.132 19.047 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.078 43.494 20.977 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.905 44.396 20.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 30.544 44.327 22.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 29.199 43.919 21.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.098 42.699 22.344 1.00 0.00 H new ATOM 190 N THR A 12 26.639 40.385 15.929 1.00 0.00 N ATOM 191 CA THR A 12 26.351 39.339 14.901 1.00 0.00 C ATOM 192 C THR A 12 27.501 39.278 13.894 1.00 0.00 C ATOM 193 O THR A 12 28.042 40.289 13.491 1.00 0.00 O ATOM 194 CB THR A 12 25.055 39.689 14.165 1.00 0.00 C ATOM 195 OG1 THR A 12 23.982 39.729 15.095 1.00 0.00 O ATOM 196 CG2 THR A 12 24.770 38.629 13.098 1.00 0.00 C ATOM 0 H THR A 12 26.367 41.333 15.669 1.00 0.00 H new ATOM 0 HA THR A 12 26.244 38.372 15.392 1.00 0.00 H new ATOM 0 HB THR A 12 25.159 40.663 13.687 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.151 39.955 14.627 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.847 38.879 12.574 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.595 38.599 12.386 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.665 37.654 13.573 1.00 0.00 H new ATOM 204 N ILE A 13 27.869 38.096 13.477 1.00 0.00 N ATOM 205 CA ILE A 13 28.975 37.946 12.482 1.00 0.00 C ATOM 206 C ILE A 13 28.622 36.803 11.530 1.00 0.00 C ATOM 207 O ILE A 13 28.128 35.776 11.949 1.00 0.00 O ATOM 208 CB ILE A 13 30.284 37.623 13.210 1.00 0.00 C ATOM 209 CG1 ILE A 13 30.511 38.638 14.332 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.448 37.692 12.220 1.00 0.00 C ATOM 211 CD1 ILE A 13 31.849 38.352 15.017 1.00 0.00 C ATOM 0 H ILE A 13 27.448 37.219 13.785 1.00 0.00 H new ATOM 0 HA ILE A 13 29.101 38.873 11.923 1.00 0.00 H new ATOM 0 HB ILE A 13 30.224 36.621 13.634 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.507 39.650 13.927 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.700 38.581 15.058 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.380 37.462 12.737 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.289 36.968 11.420 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.506 38.694 11.796 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.010 39.075 15.816 1.00 0.00 H new ATOM 0 HD12 ILE A 13 31.836 37.346 15.435 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.655 38.431 14.288 1.00 0.00 H new ATOM 223 N THR A 14 28.871 36.970 10.253 1.00 0.00 N ATOM 224 CA THR A 14 28.549 35.892 9.262 1.00 0.00 C ATOM 225 C THR A 14 29.828 35.475 8.536 1.00 0.00 C ATOM 226 O THR A 14 30.625 36.305 8.145 1.00 0.00 O ATOM 227 CB THR A 14 27.542 36.429 8.242 1.00 0.00 C ATOM 228 OG1 THR A 14 28.103 37.548 7.570 1.00 0.00 O ATOM 229 CG2 THR A 14 26.260 36.853 8.961 1.00 0.00 C ATOM 0 H THR A 14 29.286 37.811 9.852 1.00 0.00 H new ATOM 0 HA THR A 14 28.124 35.032 9.780 1.00 0.00 H new ATOM 0 HB THR A 14 27.307 35.649 7.517 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.080 37.478 7.578 1.00 0.00 H new ATOM 0 HG21 THR A 14 25.544 37.235 8.233 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.830 35.994 9.476 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.491 37.633 9.687 1.00 0.00 H new ATOM 237 N LEU A 15 30.027 34.191 8.352 1.00 0.00 N ATOM 238 CA LEU A 15 31.257 33.698 7.649 1.00 0.00 C ATOM 239 C LEU A 15 30.841 32.890 6.418 1.00 0.00 C ATOM 240 O LEU A 15 30.248 31.835 6.530 1.00 0.00 O ATOM 241 CB LEU A 15 32.050 32.786 8.594 1.00 0.00 C ATOM 242 CG LEU A 15 32.191 33.440 9.973 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.878 32.463 10.929 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.037 34.711 9.857 1.00 0.00 C ATOM 0 H LEU A 15 29.387 33.459 8.660 1.00 0.00 H new ATOM 0 HA LEU A 15 31.872 34.547 7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.546 31.824 8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 15 33.037 32.588 8.176 1.00 0.00 H new ATOM 0 HG LEU A 15 31.202 33.696 10.354 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.980 32.925 11.911 1.00 0.00 H new ATOM 0 HD12 LEU A 15 32.279 31.556 11.015 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.866 32.210 10.543 1.00 0.00 H new ATOM 0 HD21 LEU A 15 33.135 35.174 10.839 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.026 34.456 9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 15 32.553 35.409 9.174 1.00 0.00 H new ATOM 256 N GLU A 16 31.150 33.371 5.239 1.00 0.00 N ATOM 257 CA GLU A 16 30.777 32.628 3.995 1.00 0.00 C ATOM 258 C GLU A 16 31.988 31.835 3.503 1.00 0.00 C ATOM 259 O GLU A 16 32.996 32.398 3.124 1.00 0.00 O ATOM 260 CB GLU A 16 30.352 33.626 2.916 1.00 0.00 C ATOM 261 CG GLU A 16 29.891 32.866 1.670 1.00 0.00 C ATOM 262 CD GLU A 16 29.392 33.860 0.621 1.00 0.00 C ATOM 263 OE1 GLU A 16 29.427 35.048 0.895 1.00 0.00 O ATOM 264 OE2 GLU A 16 28.985 33.417 -0.441 1.00 0.00 O ATOM 0 H GLU A 16 31.646 34.249 5.084 1.00 0.00 H new ATOM 0 HA GLU A 16 29.952 31.947 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.546 34.259 3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 16 31.184 34.284 2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.714 32.277 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.096 32.167 1.931 1.00 0.00 H new ATOM 271 N VAL A 17 31.896 30.534 3.489 1.00 0.00 N ATOM 272 CA VAL A 17 33.043 29.718 3.004 1.00 0.00 C ATOM 273 C VAL A 17 32.571 28.299 2.687 1.00 0.00 C ATOM 274 O VAL A 17 31.605 27.816 3.243 1.00 0.00 O ATOM 275 CB VAL A 17 34.132 29.669 4.071 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.596 28.971 5.322 1.00 0.00 C ATOM 277 CG2 VAL A 17 35.334 28.894 3.530 1.00 0.00 C ATOM 0 H VAL A 17 31.079 30.003 3.791 1.00 0.00 H new ATOM 0 HA VAL A 17 33.447 30.174 2.100 1.00 0.00 H new ATOM 0 HB VAL A 17 34.435 30.684 4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 17 34.376 28.937 6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.738 29.522 5.707 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.291 27.955 5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 17 36.115 28.857 4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 17 35.028 27.880 3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.718 29.392 2.640 1.00 0.00 H new ATOM 287 N GLU A 18 33.250 27.628 1.797 1.00 0.00 N ATOM 288 CA GLU A 18 32.853 26.234 1.437 1.00 0.00 C ATOM 289 C GLU A 18 32.547 25.434 2.721 1.00 0.00 C ATOM 290 O GLU A 18 33.443 25.152 3.493 1.00 0.00 O ATOM 291 CB GLU A 18 34.014 25.561 0.699 1.00 0.00 C ATOM 292 CG GLU A 18 34.311 26.327 -0.591 1.00 0.00 C ATOM 293 CD GLU A 18 35.496 25.677 -1.308 1.00 0.00 C ATOM 294 OE1 GLU A 18 36.047 24.734 -0.765 1.00 0.00 O ATOM 295 OE2 GLU A 18 35.830 26.133 -2.390 1.00 0.00 O ATOM 0 H GLU A 18 34.066 27.986 1.301 1.00 0.00 H new ATOM 0 HA GLU A 18 31.967 26.260 0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.899 25.540 1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.762 24.526 0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.434 26.324 -1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.536 27.369 -0.364 1.00 0.00 H new ATOM 302 N PRO A 19 31.304 25.065 2.967 1.00 0.00 N ATOM 303 CA PRO A 19 30.931 24.291 4.190 1.00 0.00 C ATOM 304 C PRO A 19 31.901 23.137 4.488 1.00 0.00 C ATOM 305 O PRO A 19 31.974 22.651 5.599 1.00 0.00 O ATOM 306 CB PRO A 19 29.535 23.753 3.860 1.00 0.00 C ATOM 307 CG PRO A 19 28.947 24.777 2.945 1.00 0.00 C ATOM 308 CD PRO A 19 30.116 25.338 2.127 1.00 0.00 C ATOM 0 HA PRO A 19 30.963 24.913 5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.589 22.776 3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.933 23.633 4.761 1.00 0.00 H new ATOM 0 HG2 PRO A 19 28.194 24.332 2.294 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.453 25.567 3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.194 24.850 1.155 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.996 26.405 1.940 1.00 0.00 H new ATOM 316 N SER A 20 32.641 22.693 3.512 1.00 0.00 N ATOM 317 CA SER A 20 33.593 21.572 3.758 1.00 0.00 C ATOM 318 C SER A 20 34.810 22.095 4.524 1.00 0.00 C ATOM 319 O SER A 20 35.690 21.346 4.901 1.00 0.00 O ATOM 320 CB SER A 20 34.041 20.975 2.425 1.00 0.00 C ATOM 321 OG SER A 20 34.442 22.023 1.551 1.00 0.00 O ATOM 0 H SER A 20 32.629 23.055 2.558 1.00 0.00 H new ATOM 0 HA SER A 20 33.099 20.800 4.348 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.867 20.282 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.227 20.404 1.977 1.00 0.00 H new ATOM 0 HG SER A 20 34.732 21.643 0.695 1.00 0.00 H new ATOM 327 N ASP A 21 34.865 23.375 4.760 1.00 0.00 N ATOM 328 CA ASP A 21 36.016 23.946 5.502 1.00 0.00 C ATOM 329 C ASP A 21 36.155 23.209 6.841 1.00 0.00 C ATOM 330 O ASP A 21 35.202 22.664 7.362 1.00 0.00 O ATOM 331 CB ASP A 21 35.763 25.451 5.728 1.00 0.00 C ATOM 332 CG ASP A 21 36.601 26.284 4.748 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.512 26.028 3.558 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.321 27.155 5.206 1.00 0.00 O ATOM 0 H ASP A 21 34.159 24.051 4.469 1.00 0.00 H new ATOM 0 HA ASP A 21 36.940 23.826 4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.705 25.673 5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.016 25.720 6.754 1.00 0.00 H new ATOM 339 N THR A 22 37.337 23.179 7.393 1.00 0.00 N ATOM 340 CA THR A 22 37.542 22.468 8.689 1.00 0.00 C ATOM 341 C THR A 22 37.223 23.404 9.857 1.00 0.00 C ATOM 342 O THR A 22 37.451 24.597 9.798 1.00 0.00 O ATOM 343 CB THR A 22 39.000 22.011 8.790 1.00 0.00 C ATOM 344 OG1 THR A 22 39.857 23.138 8.677 1.00 0.00 O ATOM 345 CG2 THR A 22 39.303 21.020 7.665 1.00 0.00 C ATOM 0 H THR A 22 38.172 23.617 7.003 1.00 0.00 H new ATOM 0 HA THR A 22 36.879 21.604 8.732 1.00 0.00 H new ATOM 0 HB THR A 22 39.165 21.526 9.752 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.790 22.847 8.743 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.341 20.694 7.737 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.645 20.156 7.754 1.00 0.00 H new ATOM 0 HG23 THR A 22 39.140 21.502 6.701 1.00 0.00 H new ATOM 353 N ILE A 23 36.691 22.863 10.921 1.00 0.00 N ATOM 354 CA ILE A 23 36.344 23.699 12.106 1.00 0.00 C ATOM 355 C ILE A 23 37.502 24.653 12.414 1.00 0.00 C ATOM 356 O ILE A 23 37.311 25.739 12.925 1.00 0.00 O ATOM 357 CB ILE A 23 36.103 22.784 13.301 1.00 0.00 C ATOM 358 CG1 ILE A 23 34.841 21.956 13.044 1.00 0.00 C ATOM 359 CG2 ILE A 23 35.914 23.621 14.569 1.00 0.00 C ATOM 360 CD1 ILE A 23 34.732 20.839 14.077 1.00 0.00 C ATOM 0 H ILE A 23 36.481 21.870 11.020 1.00 0.00 H new ATOM 0 HA ILE A 23 35.446 24.281 11.900 1.00 0.00 H new ATOM 0 HB ILE A 23 36.961 22.125 13.435 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.960 22.596 13.093 1.00 0.00 H new ATOM 0 HG13 ILE A 23 34.872 21.533 12.040 1.00 0.00 H new ATOM 0 HG21 ILE A 23 35.742 22.960 15.419 1.00 0.00 H new ATOM 0 HG22 ILE A 23 36.809 24.217 14.748 1.00 0.00 H new ATOM 0 HG23 ILE A 23 35.056 24.282 14.444 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.832 20.255 13.887 1.00 0.00 H new ATOM 0 HD12 ILE A 23 35.606 20.192 14.007 1.00 0.00 H new ATOM 0 HD13 ILE A 23 34.680 21.271 15.076 1.00 0.00 H new ATOM 372 N GLU A 24 38.698 24.246 12.104 1.00 0.00 N ATOM 373 CA GLU A 24 39.881 25.109 12.369 1.00 0.00 C ATOM 374 C GLU A 24 39.767 26.389 11.540 1.00 0.00 C ATOM 375 O GLU A 24 40.169 27.455 11.967 1.00 0.00 O ATOM 376 CB GLU A 24 41.151 24.355 11.976 1.00 0.00 C ATOM 377 CG GLU A 24 41.082 22.924 12.514 1.00 0.00 C ATOM 378 CD GLU A 24 40.868 22.960 14.026 1.00 0.00 C ATOM 379 OE1 GLU A 24 39.721 22.970 14.441 1.00 0.00 O ATOM 380 OE2 GLU A 24 41.854 22.977 14.745 1.00 0.00 O ATOM 0 H GLU A 24 38.910 23.345 11.675 1.00 0.00 H new ATOM 0 HA GLU A 24 39.923 25.365 13.428 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.258 24.342 10.891 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.028 24.864 12.377 1.00 0.00 H new ATOM 0 HG2 GLU A 24 40.268 22.382 12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 24 42.003 22.390 12.279 1.00 0.00 H new ATOM 387 N ASN A 25 39.215 26.295 10.362 1.00 0.00 N ATOM 388 CA ASN A 25 39.069 27.507 9.513 1.00 0.00 C ATOM 389 C ASN A 25 38.071 28.450 10.176 1.00 0.00 C ATOM 390 O ASN A 25 38.255 29.652 10.200 1.00 0.00 O ATOM 391 CB ASN A 25 38.556 27.107 8.128 1.00 0.00 C ATOM 392 CG ASN A 25 38.406 28.359 7.260 1.00 0.00 C ATOM 393 OD1 ASN A 25 37.343 28.942 7.193 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.435 28.798 6.588 1.00 0.00 N ATOM 0 H ASN A 25 38.859 25.431 9.952 1.00 0.00 H new ATOM 0 HA ASN A 25 40.034 28.003 9.404 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.248 26.407 7.660 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.597 26.596 8.217 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.346 29.631 6.006 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.328 28.308 6.645 1.00 0.00 H new ATOM 401 N VAL A 26 37.017 27.913 10.723 1.00 0.00 N ATOM 402 CA VAL A 26 36.011 28.776 11.397 1.00 0.00 C ATOM 403 C VAL A 26 36.650 29.402 12.635 1.00 0.00 C ATOM 404 O VAL A 26 36.815 30.603 12.725 1.00 0.00 O ATOM 405 CB VAL A 26 34.815 27.921 11.815 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.670 28.826 12.260 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.358 27.069 10.628 1.00 0.00 C ATOM 0 H VAL A 26 36.810 26.914 10.732 1.00 0.00 H new ATOM 0 HA VAL A 26 35.675 29.561 10.719 1.00 0.00 H new ATOM 0 HB VAL A 26 35.105 27.271 12.641 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.818 28.215 12.558 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.994 29.434 13.105 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.379 29.477 11.435 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.505 26.459 10.925 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.069 27.720 9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 26 35.174 26.421 10.310 1.00 0.00 H new ATOM 417 N LYS A 27 37.017 28.591 13.592 1.00 0.00 N ATOM 418 CA LYS A 27 37.654 29.121 14.829 1.00 0.00 C ATOM 419 C LYS A 27 38.721 30.157 14.460 1.00 0.00 C ATOM 420 O LYS A 27 38.926 31.125 15.162 1.00 0.00 O ATOM 421 CB LYS A 27 38.311 27.964 15.584 1.00 0.00 C ATOM 422 CG LYS A 27 37.232 27.063 16.193 1.00 0.00 C ATOM 423 CD LYS A 27 37.871 26.096 17.196 1.00 0.00 C ATOM 424 CE LYS A 27 36.776 25.404 18.008 1.00 0.00 C ATOM 425 NZ LYS A 27 35.900 24.621 17.094 1.00 0.00 N ATOM 0 H LYS A 27 36.901 27.578 13.568 1.00 0.00 H new ATOM 0 HA LYS A 27 36.898 29.594 15.456 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.940 27.387 14.907 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.960 28.352 16.369 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.476 27.670 16.690 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.725 26.504 15.406 1.00 0.00 H new ATOM 0 HD2 LYS A 27 38.472 25.354 16.670 1.00 0.00 H new ATOM 0 HD3 LYS A 27 38.544 26.637 17.861 1.00 0.00 H new ATOM 0 HE2 LYS A 27 37.222 24.746 18.754 1.00 0.00 H new ATOM 0 HE3 LYS A 27 36.186 26.144 18.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.252 24.031 17.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.349 25.272 16.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 36.486 24.012 16.488 1.00 0.00 H new ATOM 439 N ALA A 28 39.406 29.954 13.369 1.00 0.00 N ATOM 440 CA ALA A 28 40.464 30.924 12.964 1.00 0.00 C ATOM 441 C ALA A 28 39.820 32.239 12.511 1.00 0.00 C ATOM 442 O ALA A 28 40.105 33.294 13.044 1.00 0.00 O ATOM 443 CB ALA A 28 41.278 30.332 11.811 1.00 0.00 C ATOM 0 H ALA A 28 39.280 29.160 12.741 1.00 0.00 H new ATOM 0 HA ALA A 28 41.118 31.120 13.814 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.052 31.038 11.512 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.742 29.400 12.134 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.620 30.135 10.964 1.00 0.00 H new ATOM 449 N LYS A 29 38.962 32.188 11.529 1.00 0.00 N ATOM 450 CA LYS A 29 38.312 33.440 11.042 1.00 0.00 C ATOM 451 C LYS A 29 37.661 34.174 12.218 1.00 0.00 C ATOM 452 O LYS A 29 37.500 35.374 12.200 1.00 0.00 O ATOM 453 CB LYS A 29 37.245 33.083 10.002 1.00 0.00 C ATOM 454 CG LYS A 29 37.921 32.774 8.657 1.00 0.00 C ATOM 455 CD LYS A 29 36.991 31.913 7.803 1.00 0.00 C ATOM 456 CE LYS A 29 37.670 31.594 6.469 1.00 0.00 C ATOM 457 NZ LYS A 29 37.840 32.850 5.686 1.00 0.00 N ATOM 0 H LYS A 29 38.683 31.336 11.043 1.00 0.00 H new ATOM 0 HA LYS A 29 39.062 34.088 10.588 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.669 32.221 10.338 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.544 33.909 9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.156 33.701 8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.864 32.254 8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.748 30.990 8.329 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.051 32.437 7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.640 31.128 6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.070 30.879 5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.992 32.617 4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.985 33.435 5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.661 33.376 6.048 1.00 0.00 H new ATOM 471 N ILE A 30 37.284 33.459 13.237 1.00 0.00 N ATOM 472 CA ILE A 30 36.646 34.113 14.412 1.00 0.00 C ATOM 473 C ILE A 30 37.733 34.635 15.362 1.00 0.00 C ATOM 474 O ILE A 30 37.862 35.822 15.579 1.00 0.00 O ATOM 475 CB ILE A 30 35.761 33.089 15.125 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.542 32.795 14.245 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.294 33.652 16.468 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.783 31.590 14.802 1.00 0.00 C ATOM 0 H ILE A 30 37.390 32.447 13.308 1.00 0.00 H new ATOM 0 HA ILE A 30 36.034 34.955 14.088 1.00 0.00 H new ATOM 0 HB ILE A 30 36.327 32.174 15.301 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.887 33.666 14.211 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.860 32.596 13.222 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.664 32.918 16.971 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.161 33.874 17.091 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.724 34.566 16.301 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.917 31.384 14.174 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.439 30.720 14.812 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.451 31.807 15.818 1.00 0.00 H new ATOM 490 N GLN A 31 38.500 33.748 15.936 1.00 0.00 N ATOM 491 CA GLN A 31 39.574 34.154 16.885 1.00 0.00 C ATOM 492 C GLN A 31 40.293 35.418 16.391 1.00 0.00 C ATOM 493 O GLN A 31 40.543 36.331 17.145 1.00 0.00 O ATOM 494 CB GLN A 31 40.577 33.005 16.989 1.00 0.00 C ATOM 495 CG GLN A 31 41.696 33.385 17.955 1.00 0.00 C ATOM 496 CD GLN A 31 42.619 32.184 18.170 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.810 32.345 18.349 1.00 0.00 O ATOM 498 NE2 GLN A 31 42.119 30.978 18.159 1.00 0.00 N ATOM 0 H GLN A 31 38.425 32.742 15.784 1.00 0.00 H new ATOM 0 HA GLN A 31 39.134 34.374 17.858 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.075 32.102 17.336 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.992 32.782 16.006 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.264 34.226 17.557 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.274 33.707 18.907 1.00 0.00 H new ATOM 0 HE21 GLN A 31 41.119 30.842 18.009 1.00 0.00 H new ATOM 0 HE22 GLN A 31 42.728 30.172 18.301 1.00 0.00 H new ATOM 507 N ASP A 32 40.632 35.468 15.137 1.00 0.00 N ATOM 508 CA ASP A 32 41.346 36.671 14.607 1.00 0.00 C ATOM 509 C ASP A 32 40.396 37.876 14.574 1.00 0.00 C ATOM 510 O ASP A 32 40.695 38.935 15.087 1.00 0.00 O ATOM 511 CB ASP A 32 41.848 36.381 13.191 1.00 0.00 C ATOM 512 CG ASP A 32 42.994 35.369 13.253 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.508 35.151 14.337 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.335 34.825 12.215 1.00 0.00 O ATOM 0 H ASP A 32 40.449 34.734 14.453 1.00 0.00 H new ATOM 0 HA ASP A 32 42.190 36.900 15.258 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.036 35.989 12.579 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.188 37.303 12.718 1.00 0.00 H new ATOM 519 N LYS A 33 39.269 37.719 13.944 1.00 0.00 N ATOM 520 CA LYS A 33 38.302 38.847 13.833 1.00 0.00 C ATOM 521 C LYS A 33 37.880 39.331 15.230 1.00 0.00 C ATOM 522 O LYS A 33 37.724 40.515 15.454 1.00 0.00 O ATOM 523 CB LYS A 33 37.082 38.369 13.046 1.00 0.00 C ATOM 524 CG LYS A 33 37.330 38.468 11.527 1.00 0.00 C ATOM 525 CD LYS A 33 38.738 37.970 11.144 1.00 0.00 C ATOM 526 CE LYS A 33 38.776 37.648 9.647 1.00 0.00 C ATOM 527 NZ LYS A 33 38.418 38.867 8.868 1.00 0.00 N ATOM 0 H LYS A 33 38.972 36.852 13.497 1.00 0.00 H new ATOM 0 HA LYS A 33 38.771 39.683 13.314 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.853 37.338 13.314 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.213 38.969 13.316 1.00 0.00 H new ATOM 0 HG2 LYS A 33 36.580 37.881 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.210 39.503 11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 33 39.482 38.730 11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 33 38.992 37.083 11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 33 39.770 37.301 9.364 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.080 36.841 9.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 38.685 38.733 7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 37.393 39.032 8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.926 39.688 9.255 1.00 0.00 H new ATOM 541 N GLU A 34 37.695 38.442 16.171 1.00 0.00 N ATOM 542 CA GLU A 34 37.285 38.878 17.545 1.00 0.00 C ATOM 543 C GLU A 34 38.526 39.016 18.436 1.00 0.00 C ATOM 544 O GLU A 34 38.518 39.722 19.425 1.00 0.00 O ATOM 545 CB GLU A 34 36.336 37.835 18.145 1.00 0.00 C ATOM 546 CG GLU A 34 35.340 37.376 17.078 1.00 0.00 C ATOM 547 CD GLU A 34 34.623 38.593 16.492 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.915 39.254 17.234 1.00 0.00 O ATOM 549 OE2 GLU A 34 34.795 38.846 15.311 1.00 0.00 O ATOM 0 H GLU A 34 37.809 37.436 16.051 1.00 0.00 H new ATOM 0 HA GLU A 34 36.779 39.841 17.484 1.00 0.00 H new ATOM 0 HB2 GLU A 34 36.904 36.983 18.518 1.00 0.00 H new ATOM 0 HB3 GLU A 34 35.803 38.260 18.996 1.00 0.00 H new ATOM 0 HG2 GLU A 34 35.860 36.833 16.289 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.615 36.689 17.514 1.00 0.00 H new ATOM 556 N GLY A 35 39.592 38.348 18.089 1.00 0.00 N ATOM 557 CA GLY A 35 40.833 38.442 18.917 1.00 0.00 C ATOM 558 C GLY A 35 40.574 37.828 20.296 1.00 0.00 C ATOM 559 O GLY A 35 41.204 38.183 21.271 1.00 0.00 O ATOM 0 H GLY A 35 39.660 37.742 17.271 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.653 37.921 18.423 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.135 39.484 19.022 1.00 0.00 H new ATOM 563 N ILE A 36 39.636 36.917 20.386 1.00 0.00 N ATOM 564 CA ILE A 36 39.305 36.278 21.686 1.00 0.00 C ATOM 565 C ILE A 36 39.869 34.845 21.725 1.00 0.00 C ATOM 566 O ILE A 36 39.315 33.954 21.112 1.00 0.00 O ATOM 567 CB ILE A 36 37.791 36.218 21.797 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.233 37.620 21.561 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.403 35.735 23.190 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.722 37.599 21.725 1.00 0.00 C ATOM 0 H ILE A 36 39.080 36.588 19.597 1.00 0.00 H new ATOM 0 HA ILE A 36 39.737 36.849 22.508 1.00 0.00 H new ATOM 0 HB ILE A 36 37.385 35.528 21.058 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.676 38.323 22.267 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.496 37.964 20.561 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.317 35.692 23.271 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.819 34.742 23.360 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.795 36.425 23.937 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.324 38.600 21.557 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.287 36.909 21.002 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.470 37.273 22.734 1.00 0.00 H new ATOM 582 N PRO A 37 40.950 34.607 22.436 1.00 0.00 N ATOM 583 CA PRO A 37 41.548 33.240 22.529 1.00 0.00 C ATOM 584 C PRO A 37 40.484 32.169 22.868 1.00 0.00 C ATOM 585 O PRO A 37 39.819 32.270 23.881 1.00 0.00 O ATOM 586 CB PRO A 37 42.561 33.373 23.678 1.00 0.00 C ATOM 587 CG PRO A 37 42.965 34.811 23.661 1.00 0.00 C ATOM 588 CD PRO A 37 41.722 35.590 23.221 1.00 0.00 C ATOM 0 HA PRO A 37 41.994 32.919 21.588 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.115 33.098 24.634 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.419 32.718 23.527 1.00 0.00 H new ATOM 0 HG2 PRO A 37 43.300 35.134 24.646 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.794 34.976 22.972 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.154 35.953 24.077 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.987 36.461 22.622 1.00 0.00 H new ATOM 596 N PRO A 38 40.312 31.154 22.047 1.00 0.00 N ATOM 597 CA PRO A 38 39.308 30.080 22.302 1.00 0.00 C ATOM 598 C PRO A 38 39.218 29.683 23.779 1.00 0.00 C ATOM 599 O PRO A 38 38.239 29.115 24.221 1.00 0.00 O ATOM 600 CB PRO A 38 39.825 28.926 21.462 1.00 0.00 C ATOM 601 CG PRO A 38 40.398 29.602 20.267 1.00 0.00 C ATOM 602 CD PRO A 38 41.034 30.899 20.785 1.00 0.00 C ATOM 0 HA PRO A 38 38.297 30.397 22.048 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.578 28.346 21.996 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.026 28.237 21.190 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.140 28.970 19.779 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.624 29.814 19.529 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.105 30.783 20.951 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.908 31.719 20.078 1.00 0.00 H new ATOM 610 N ASP A 39 40.235 29.969 24.544 1.00 0.00 N ATOM 611 CA ASP A 39 40.208 29.599 25.987 1.00 0.00 C ATOM 612 C ASP A 39 39.079 30.349 26.696 1.00 0.00 C ATOM 613 O ASP A 39 38.337 29.784 27.475 1.00 0.00 O ATOM 614 CB ASP A 39 41.546 29.969 26.631 1.00 0.00 C ATOM 615 CG ASP A 39 42.642 29.045 26.097 1.00 0.00 C ATOM 616 OD1 ASP A 39 43.249 29.392 25.097 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.857 28.005 26.698 1.00 0.00 O ATOM 0 H ASP A 39 41.083 30.443 24.233 1.00 0.00 H new ATOM 0 HA ASP A 39 40.039 28.526 26.079 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.792 31.008 26.411 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.477 29.880 27.715 1.00 0.00 H new ATOM 622 N GLN A 40 38.951 31.617 26.437 1.00 0.00 N ATOM 623 CA GLN A 40 37.883 32.420 27.096 1.00 0.00 C ATOM 624 C GLN A 40 36.596 32.361 26.268 1.00 0.00 C ATOM 625 O GLN A 40 35.582 32.911 26.651 1.00 0.00 O ATOM 626 CB GLN A 40 38.351 33.872 27.194 1.00 0.00 C ATOM 627 CG GLN A 40 39.636 33.938 28.021 1.00 0.00 C ATOM 628 CD GLN A 40 40.013 35.401 28.265 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.324 36.298 27.824 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.085 35.678 28.956 1.00 0.00 N ATOM 0 H GLN A 40 39.545 32.138 25.792 1.00 0.00 H new ATOM 0 HA GLN A 40 37.686 32.017 28.090 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.526 34.277 26.197 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.577 34.485 27.656 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.495 33.424 28.972 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.444 33.426 27.498 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.663 34.923 29.326 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.345 36.649 29.126 1.00 0.00 H new ATOM 639 N GLN A 41 36.635 31.703 25.134 1.00 0.00 N ATOM 640 CA GLN A 41 35.426 31.603 24.260 1.00 0.00 C ATOM 641 C GLN A 41 35.063 30.125 24.073 1.00 0.00 C ATOM 642 O GLN A 41 35.916 29.292 23.841 1.00 0.00 O ATOM 643 CB GLN A 41 35.761 32.250 22.907 1.00 0.00 C ATOM 644 CG GLN A 41 34.758 31.810 21.838 1.00 0.00 C ATOM 645 CD GLN A 41 34.901 32.704 20.605 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.269 33.856 20.717 1.00 0.00 O ATOM 647 NE2 GLN A 41 34.627 32.215 19.427 1.00 0.00 N ATOM 0 H GLN A 41 37.462 31.227 24.774 1.00 0.00 H new ATOM 0 HA GLN A 41 34.576 32.115 24.710 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.746 33.336 23.003 1.00 0.00 H new ATOM 0 HB3 GLN A 41 36.770 31.971 22.604 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.932 30.769 21.567 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.743 31.872 22.229 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.318 31.247 19.336 1.00 0.00 H new ATOM 0 HE22 GLN A 41 34.722 32.800 18.597 1.00 0.00 H new ATOM 656 N ARG A 42 33.795 29.803 24.145 1.00 0.00 N ATOM 657 CA ARG A 42 33.346 28.391 23.943 1.00 0.00 C ATOM 658 C ARG A 42 32.152 28.410 22.991 1.00 0.00 C ATOM 659 O ARG A 42 31.124 28.979 23.296 1.00 0.00 O ATOM 660 CB ARG A 42 32.919 27.789 25.289 1.00 0.00 C ATOM 661 CG ARG A 42 34.146 27.609 26.203 1.00 0.00 C ATOM 662 CD ARG A 42 34.852 26.282 25.892 1.00 0.00 C ATOM 663 NE ARG A 42 35.959 26.073 26.866 1.00 0.00 N ATOM 664 CZ ARG A 42 36.747 25.039 26.744 1.00 0.00 C ATOM 665 NH1 ARG A 42 37.719 24.854 27.596 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.563 24.190 25.770 1.00 0.00 N ATOM 0 H ARG A 42 33.044 30.466 24.337 1.00 0.00 H new ATOM 0 HA ARG A 42 34.155 27.790 23.529 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.189 28.439 25.771 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.432 26.827 25.128 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.838 28.439 26.061 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.836 27.627 27.248 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.142 25.457 25.949 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.245 26.295 24.875 1.00 0.00 H new ATOM 0 HE ARG A 42 36.101 26.737 27.627 1.00 0.00 H new ATOM 0 HH11 ARG A 42 37.863 25.517 28.357 1.00 0.00 H new ATOM 0 HH12 ARG A 42 38.334 24.046 27.500 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.804 24.334 25.104 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.178 23.382 25.674 1.00 0.00 H new ATOM 680 N LEU A 43 32.268 27.813 21.833 1.00 0.00 N ATOM 681 CA LEU A 43 31.121 27.833 20.877 1.00 0.00 C ATOM 682 C LEU A 43 30.200 26.645 21.142 1.00 0.00 C ATOM 683 O LEU A 43 30.635 25.547 21.421 1.00 0.00 O ATOM 684 CB LEU A 43 31.635 27.794 19.437 1.00 0.00 C ATOM 685 CG LEU A 43 32.923 26.962 19.362 1.00 0.00 C ATOM 686 CD1 LEU A 43 33.034 26.377 17.960 1.00 0.00 C ATOM 687 CD2 LEU A 43 34.148 27.852 19.661 1.00 0.00 C ATOM 0 H LEU A 43 33.099 27.317 21.510 1.00 0.00 H new ATOM 0 HA LEU A 43 30.556 28.754 21.021 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.876 27.365 18.783 1.00 0.00 H new ATOM 0 HB3 LEU A 43 31.825 28.807 19.082 1.00 0.00 H new ATOM 0 HG LEU A 43 32.893 26.161 20.101 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.944 25.781 17.885 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.169 25.745 17.760 1.00 0.00 H new ATOM 0 HD13 LEU A 43 33.069 27.186 17.230 1.00 0.00 H new ATOM 0 HD21 LEU A 43 35.056 27.252 19.605 1.00 0.00 H new ATOM 0 HD22 LEU A 43 34.200 28.658 18.929 1.00 0.00 H new ATOM 0 HD23 LEU A 43 34.054 28.276 20.661 1.00 0.00 H new ATOM 699 N ILE A 44 28.924 26.877 21.042 1.00 0.00 N ATOM 700 CA ILE A 44 27.909 25.799 21.274 1.00 0.00 C ATOM 701 C ILE A 44 27.036 25.668 20.026 1.00 0.00 C ATOM 702 O ILE A 44 26.689 26.652 19.400 1.00 0.00 O ATOM 703 CB ILE A 44 27.022 26.182 22.464 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.883 26.371 23.726 1.00 0.00 C ATOM 705 CG2 ILE A 44 25.976 25.082 22.709 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.708 25.108 24.028 1.00 0.00 C ATOM 0 H ILE A 44 28.527 27.786 20.804 1.00 0.00 H new ATOM 0 HA ILE A 44 28.414 24.856 21.482 1.00 0.00 H new ATOM 0 HB ILE A 44 26.513 27.119 22.238 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.551 27.222 23.590 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.242 26.602 24.576 1.00 0.00 H new ATOM 0 HG21 ILE A 44 25.348 25.359 23.556 1.00 0.00 H new ATOM 0 HG22 ILE A 44 25.356 24.965 21.820 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.482 24.141 22.925 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.306 25.270 24.924 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.037 24.264 24.188 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.366 24.894 23.186 1.00 0.00 H new ATOM 718 N PHE A 45 26.676 24.466 19.650 1.00 0.00 N ATOM 719 CA PHE A 45 25.827 24.285 18.442 1.00 0.00 C ATOM 720 C PHE A 45 24.969 23.023 18.617 1.00 0.00 C ATOM 721 O PHE A 45 25.461 21.914 18.562 1.00 0.00 O ATOM 722 CB PHE A 45 26.736 24.143 17.213 1.00 0.00 C ATOM 723 CG PHE A 45 25.962 23.555 16.054 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.068 24.353 15.331 1.00 0.00 C ATOM 725 CD2 PHE A 45 26.139 22.212 15.709 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.351 23.805 14.260 1.00 0.00 C ATOM 727 CE2 PHE A 45 25.422 21.663 14.640 1.00 0.00 C ATOM 728 CZ PHE A 45 24.528 22.460 13.914 1.00 0.00 C ATOM 0 H PHE A 45 26.936 23.604 20.130 1.00 0.00 H new ATOM 0 HA PHE A 45 25.171 25.145 18.306 1.00 0.00 H new ATOM 0 HB2 PHE A 45 27.137 25.117 16.934 1.00 0.00 H new ATOM 0 HB3 PHE A 45 27.586 23.505 17.453 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.931 25.390 15.599 1.00 0.00 H new ATOM 0 HD2 PHE A 45 26.830 21.598 16.268 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.661 24.420 13.701 1.00 0.00 H new ATOM 0 HE2 PHE A 45 25.558 20.625 14.375 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.976 22.037 13.088 1.00 0.00 H new ATOM 738 N ALA A 46 23.689 23.192 18.811 1.00 0.00 N ATOM 739 CA ALA A 46 22.785 22.015 18.970 1.00 0.00 C ATOM 740 C ALA A 46 23.149 21.210 20.225 1.00 0.00 C ATOM 741 O ALA A 46 22.818 20.047 20.335 1.00 0.00 O ATOM 742 CB ALA A 46 22.893 21.116 17.733 1.00 0.00 C ATOM 0 H ALA A 46 23.227 24.100 18.867 1.00 0.00 H new ATOM 0 HA ALA A 46 21.762 22.376 19.077 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.233 20.256 17.849 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.602 21.680 16.847 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.921 20.771 17.622 1.00 0.00 H new ATOM 748 N GLY A 47 23.810 21.812 21.180 1.00 0.00 N ATOM 749 CA GLY A 47 24.167 21.062 22.424 1.00 0.00 C ATOM 750 C GLY A 47 25.495 20.322 22.239 1.00 0.00 C ATOM 751 O GLY A 47 25.905 19.556 23.088 1.00 0.00 O ATOM 0 H GLY A 47 24.117 22.784 21.154 1.00 0.00 H new ATOM 0 HA2 GLY A 47 24.242 21.753 23.264 1.00 0.00 H new ATOM 0 HA3 GLY A 47 23.378 20.350 22.666 1.00 0.00 H new ATOM 755 N LYS A 48 26.170 20.548 21.140 1.00 0.00 N ATOM 756 CA LYS A 48 27.481 19.864 20.892 1.00 0.00 C ATOM 757 C LYS A 48 28.531 20.911 20.524 1.00 0.00 C ATOM 758 O LYS A 48 28.218 21.933 19.944 1.00 0.00 O ATOM 759 CB LYS A 48 27.327 18.881 19.737 1.00 0.00 C ATOM 760 CG LYS A 48 26.213 17.880 20.063 1.00 0.00 C ATOM 761 CD LYS A 48 25.907 17.007 18.834 1.00 0.00 C ATOM 762 CE LYS A 48 26.943 15.883 18.711 1.00 0.00 C ATOM 763 NZ LYS A 48 26.951 15.073 19.963 1.00 0.00 N ATOM 0 H LYS A 48 25.869 21.180 20.398 1.00 0.00 H new ATOM 0 HA LYS A 48 27.791 19.329 21.789 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.091 19.417 18.818 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.266 18.354 19.566 1.00 0.00 H new ATOM 0 HG2 LYS A 48 26.514 17.250 20.900 1.00 0.00 H new ATOM 0 HG3 LYS A 48 25.314 18.413 20.372 1.00 0.00 H new ATOM 0 HD2 LYS A 48 24.907 16.582 18.921 1.00 0.00 H new ATOM 0 HD3 LYS A 48 25.916 17.620 17.932 1.00 0.00 H new ATOM 0 HE2 LYS A 48 26.707 15.249 17.857 1.00 0.00 H new ATOM 0 HE3 LYS A 48 27.932 16.304 18.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 27.234 14.097 19.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 27.626 15.485 20.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 25.999 15.072 20.382 1.00 0.00 H new ATOM 777 N GLN A 49 29.776 20.673 20.848 1.00 0.00 N ATOM 778 CA GLN A 49 30.849 21.649 20.515 1.00 0.00 C ATOM 779 C GLN A 49 31.534 21.203 19.220 1.00 0.00 C ATOM 780 O GLN A 49 31.409 20.069 18.804 1.00 0.00 O ATOM 781 CB GLN A 49 31.873 21.667 21.658 1.00 0.00 C ATOM 782 CG GLN A 49 32.750 22.915 21.556 1.00 0.00 C ATOM 783 CD GLN A 49 33.820 22.878 22.649 1.00 0.00 C ATOM 784 OE1 GLN A 49 33.787 22.030 23.518 1.00 0.00 O ATOM 785 NE2 GLN A 49 34.773 23.769 22.641 1.00 0.00 N ATOM 0 H GLN A 49 30.095 19.835 21.334 1.00 0.00 H new ATOM 0 HA GLN A 49 30.429 22.646 20.384 1.00 0.00 H new ATOM 0 HB2 GLN A 49 31.358 21.652 22.619 1.00 0.00 H new ATOM 0 HB3 GLN A 49 32.494 20.772 21.615 1.00 0.00 H new ATOM 0 HG2 GLN A 49 33.220 22.963 20.574 1.00 0.00 H new ATOM 0 HG3 GLN A 49 32.139 23.811 21.661 1.00 0.00 H new ATOM 0 HE21 GLN A 49 34.800 24.481 21.911 1.00 0.00 H new ATOM 0 HE22 GLN A 49 35.491 23.754 23.365 1.00 0.00 H new ATOM 794 N LEU A 50 32.271 22.077 18.587 1.00 0.00 N ATOM 795 CA LEU A 50 32.982 21.699 17.329 1.00 0.00 C ATOM 796 C LEU A 50 34.440 21.381 17.676 1.00 0.00 C ATOM 797 O LEU A 50 35.207 22.253 18.032 1.00 0.00 O ATOM 798 CB LEU A 50 32.925 22.873 16.346 1.00 0.00 C ATOM 799 CG LEU A 50 31.486 23.390 16.240 1.00 0.00 C ATOM 800 CD1 LEU A 50 31.445 24.578 15.275 1.00 0.00 C ATOM 801 CD2 LEU A 50 30.572 22.275 15.719 1.00 0.00 C ATOM 0 H LEU A 50 32.412 23.041 18.888 1.00 0.00 H new ATOM 0 HA LEU A 50 32.512 20.829 16.871 1.00 0.00 H new ATOM 0 HB2 LEU A 50 33.585 23.673 16.682 1.00 0.00 H new ATOM 0 HB3 LEU A 50 33.281 22.556 15.366 1.00 0.00 H new ATOM 0 HG LEU A 50 31.141 23.706 17.225 1.00 0.00 H new ATOM 0 HD11 LEU A 50 30.423 24.948 15.197 1.00 0.00 H new ATOM 0 HD12 LEU A 50 32.091 25.372 15.648 1.00 0.00 H new ATOM 0 HD13 LEU A 50 31.792 24.260 14.292 1.00 0.00 H new ATOM 0 HD21 LEU A 50 29.550 22.647 15.645 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.914 21.955 14.735 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.602 21.429 16.406 1.00 0.00 H new ATOM 813 N GLU A 51 34.825 20.132 17.598 1.00 0.00 N ATOM 814 CA GLU A 51 36.230 19.751 17.946 1.00 0.00 C ATOM 815 C GLU A 51 37.102 19.751 16.690 1.00 0.00 C ATOM 816 O GLU A 51 36.643 19.481 15.599 1.00 0.00 O ATOM 817 CB GLU A 51 36.233 18.350 18.564 1.00 0.00 C ATOM 818 CG GLU A 51 35.353 18.339 19.813 1.00 0.00 C ATOM 819 CD GLU A 51 36.014 19.168 20.915 1.00 0.00 C ATOM 820 OE1 GLU A 51 35.748 20.358 20.976 1.00 0.00 O ATOM 821 OE2 GLU A 51 36.775 18.601 21.681 1.00 0.00 O ATOM 0 H GLU A 51 34.227 19.358 17.308 1.00 0.00 H new ATOM 0 HA GLU A 51 36.631 20.473 18.657 1.00 0.00 H new ATOM 0 HB2 GLU A 51 35.865 17.622 17.841 1.00 0.00 H new ATOM 0 HB3 GLU A 51 37.251 18.057 18.821 1.00 0.00 H new ATOM 0 HG2 GLU A 51 34.369 18.745 19.580 1.00 0.00 H new ATOM 0 HG3 GLU A 51 35.203 17.315 20.155 1.00 0.00 H new ATOM 828 N ASP A 52 38.363 20.053 16.842 1.00 0.00 N ATOM 829 CA ASP A 52 39.279 20.076 15.668 1.00 0.00 C ATOM 830 C ASP A 52 39.442 18.660 15.112 1.00 0.00 C ATOM 831 O ASP A 52 39.256 17.682 15.808 1.00 0.00 O ATOM 832 CB ASP A 52 40.646 20.607 16.105 1.00 0.00 C ATOM 833 CG ASP A 52 40.477 21.985 16.748 1.00 0.00 C ATOM 834 OD1 ASP A 52 39.369 22.492 16.731 1.00 0.00 O ATOM 835 OD2 ASP A 52 41.460 22.508 17.246 1.00 0.00 O ATOM 0 H ASP A 52 38.799 20.286 17.734 1.00 0.00 H new ATOM 0 HA ASP A 52 38.861 20.722 14.896 1.00 0.00 H new ATOM 0 HB2 ASP A 52 41.106 19.918 16.813 1.00 0.00 H new ATOM 0 HB3 ASP A 52 41.313 20.674 15.246 1.00 0.00 H new ATOM 840 N GLY A 53 39.797 18.543 13.859 1.00 0.00 N ATOM 841 CA GLY A 53 39.981 17.193 13.250 1.00 0.00 C ATOM 842 C GLY A 53 38.657 16.700 12.666 1.00 0.00 C ATOM 843 O GLY A 53 38.298 15.548 12.804 1.00 0.00 O ATOM 0 H GLY A 53 39.968 19.327 13.230 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.739 17.238 12.468 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.340 16.491 14.003 1.00 0.00 H new ATOM 847 N ARG A 54 37.928 17.561 12.006 1.00 0.00 N ATOM 848 CA ARG A 54 36.632 17.128 11.413 1.00 0.00 C ATOM 849 C ARG A 54 36.077 18.235 10.509 1.00 0.00 C ATOM 850 O ARG A 54 36.380 19.399 10.678 1.00 0.00 O ATOM 851 CB ARG A 54 35.629 16.823 12.536 1.00 0.00 C ATOM 852 CG ARG A 54 34.511 15.903 12.009 1.00 0.00 C ATOM 853 CD ARG A 54 34.953 14.428 12.052 1.00 0.00 C ATOM 854 NE ARG A 54 34.506 13.811 13.340 1.00 0.00 N ATOM 855 CZ ARG A 54 35.317 13.716 14.367 1.00 0.00 C ATOM 856 NH1 ARG A 54 34.897 13.159 15.471 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.538 14.174 14.300 1.00 0.00 N ATOM 0 H ARG A 54 38.173 18.539 11.853 1.00 0.00 H new ATOM 0 HA ARG A 54 36.792 16.229 10.817 1.00 0.00 H new ATOM 0 HB2 ARG A 54 36.140 16.345 13.372 1.00 0.00 H new ATOM 0 HB3 ARG A 54 35.200 17.751 12.913 1.00 0.00 H new ATOM 0 HG2 ARG A 54 33.611 16.036 12.609 1.00 0.00 H new ATOM 0 HG3 ARG A 54 34.256 16.182 10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 54 34.527 13.885 11.209 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.037 14.359 11.960 1.00 0.00 H new ATOM 0 HE ARG A 54 33.553 13.458 13.421 1.00 0.00 H new ATOM 0 HH11 ARG A 54 33.944 12.801 15.531 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.522 13.082 16.273 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.872 14.612 13.442 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.158 14.094 15.106 1.00 0.00 H new ATOM 871 N THR A 55 35.264 17.868 9.549 1.00 0.00 N ATOM 872 CA THR A 55 34.667 18.871 8.611 1.00 0.00 C ATOM 873 C THR A 55 33.152 18.917 8.832 1.00 0.00 C ATOM 874 O THR A 55 32.593 18.083 9.517 1.00 0.00 O ATOM 875 CB THR A 55 34.965 18.435 7.172 1.00 0.00 C ATOM 876 OG1 THR A 55 36.363 18.525 6.934 1.00 0.00 O ATOM 877 CG2 THR A 55 34.222 19.338 6.184 1.00 0.00 C ATOM 0 H THR A 55 34.985 16.903 9.373 1.00 0.00 H new ATOM 0 HA THR A 55 35.090 19.859 8.791 1.00 0.00 H new ATOM 0 HB THR A 55 34.631 17.407 7.034 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.557 18.245 6.015 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.441 19.020 5.165 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.149 19.269 6.364 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.546 20.370 6.319 1.00 0.00 H new ATOM 885 N LEU A 56 32.477 19.876 8.258 1.00 0.00 N ATOM 886 CA LEU A 56 31.000 19.956 8.442 1.00 0.00 C ATOM 887 C LEU A 56 30.340 18.792 7.698 1.00 0.00 C ATOM 888 O LEU A 56 29.518 18.079 8.243 1.00 0.00 O ATOM 889 CB LEU A 56 30.486 21.288 7.886 1.00 0.00 C ATOM 890 CG LEU A 56 31.379 22.434 8.379 1.00 0.00 C ATOM 891 CD1 LEU A 56 30.768 23.781 7.972 1.00 0.00 C ATOM 892 CD2 LEU A 56 31.507 22.370 9.909 1.00 0.00 C ATOM 0 H LEU A 56 32.883 20.605 7.672 1.00 0.00 H new ATOM 0 HA LEU A 56 30.755 19.896 9.502 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.482 21.261 6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.457 21.453 8.205 1.00 0.00 H new ATOM 0 HG LEU A 56 32.367 22.336 7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.406 24.591 8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 56 30.686 23.830 6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 56 29.777 23.880 8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 56 32.142 23.185 10.255 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.519 22.462 10.361 1.00 0.00 H new ATOM 0 HD23 LEU A 56 31.951 21.417 10.197 1.00 0.00 H new ATOM 904 N SER A 57 30.712 18.574 6.465 1.00 0.00 N ATOM 905 CA SER A 57 30.121 17.434 5.711 1.00 0.00 C ATOM 906 C SER A 57 30.494 16.144 6.442 1.00 0.00 C ATOM 907 O SER A 57 29.656 15.316 6.738 1.00 0.00 O ATOM 908 CB SER A 57 30.687 17.407 4.291 1.00 0.00 C ATOM 909 OG SER A 57 30.268 18.573 3.596 1.00 0.00 O ATOM 0 H SER A 57 31.394 19.132 5.952 1.00 0.00 H new ATOM 0 HA SER A 57 29.037 17.537 5.651 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.776 17.360 4.322 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.344 16.515 3.767 1.00 0.00 H new ATOM 0 HG SER A 57 30.631 18.559 2.686 1.00 0.00 H new ATOM 915 N ASP A 58 31.754 15.979 6.732 1.00 0.00 N ATOM 916 CA ASP A 58 32.202 14.753 7.449 1.00 0.00 C ATOM 917 C ASP A 58 31.328 14.547 8.690 1.00 0.00 C ATOM 918 O ASP A 58 31.049 13.433 9.086 1.00 0.00 O ATOM 919 CB ASP A 58 33.664 14.913 7.873 1.00 0.00 C ATOM 920 CG ASP A 58 34.138 13.636 8.565 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.309 12.774 8.811 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.324 13.538 8.836 1.00 0.00 O ATOM 0 H ASP A 58 32.495 16.642 6.503 1.00 0.00 H new ATOM 0 HA ASP A 58 32.111 13.890 6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.286 15.119 7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.767 15.764 8.547 1.00 0.00 H new ATOM 927 N TYR A 59 30.885 15.615 9.305 1.00 0.00 N ATOM 928 CA TYR A 59 30.025 15.472 10.516 1.00 0.00 C ATOM 929 C TYR A 59 28.628 15.013 10.072 1.00 0.00 C ATOM 930 O TYR A 59 27.842 14.527 10.860 1.00 0.00 O ATOM 931 CB TYR A 59 29.937 16.844 11.240 1.00 0.00 C ATOM 932 CG TYR A 59 30.639 16.789 12.587 1.00 0.00 C ATOM 933 CD1 TYR A 59 31.650 17.711 12.894 1.00 0.00 C ATOM 934 CD2 TYR A 59 30.268 15.821 13.528 1.00 0.00 C ATOM 935 CE1 TYR A 59 32.289 17.661 14.138 1.00 0.00 C ATOM 936 CE2 TYR A 59 30.909 15.772 14.773 1.00 0.00 C ATOM 937 CZ TYR A 59 31.918 16.691 15.078 1.00 0.00 C ATOM 938 OH TYR A 59 32.547 16.644 16.305 1.00 0.00 O ATOM 0 H TYR A 59 31.081 16.575 9.021 1.00 0.00 H new ATOM 0 HA TYR A 59 30.446 14.737 11.202 1.00 0.00 H new ATOM 0 HB2 TYR A 59 30.390 17.617 10.620 1.00 0.00 H new ATOM 0 HB3 TYR A 59 28.892 17.120 11.380 1.00 0.00 H new ATOM 0 HD1 TYR A 59 31.936 18.460 12.170 1.00 0.00 H new ATOM 0 HD2 TYR A 59 29.488 15.112 13.294 1.00 0.00 H new ATOM 0 HE1 TYR A 59 33.068 18.371 14.373 1.00 0.00 H new ATOM 0 HE2 TYR A 59 30.624 15.024 15.498 1.00 0.00 H new ATOM 0 HH TYR A 59 32.170 15.913 16.838 1.00 0.00 H new ATOM 948 N ASN A 60 28.323 15.164 8.814 1.00 0.00 N ATOM 949 CA ASN A 60 26.987 14.736 8.310 1.00 0.00 C ATOM 950 C ASN A 60 25.890 15.463 9.092 1.00 0.00 C ATOM 951 O ASN A 60 25.090 14.852 9.773 1.00 0.00 O ATOM 952 CB ASN A 60 26.830 13.223 8.491 1.00 0.00 C ATOM 953 CG ASN A 60 25.656 12.726 7.646 1.00 0.00 C ATOM 954 OD1 ASN A 60 25.421 13.219 6.560 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.902 11.761 8.100 1.00 0.00 N ATOM 0 H ASN A 60 28.942 15.566 8.111 1.00 0.00 H new ATOM 0 HA ASN A 60 26.903 14.983 7.252 1.00 0.00 H new ATOM 0 HB2 ASN A 60 27.747 12.714 8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 60 26.661 12.988 9.542 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.117 11.422 7.543 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.098 11.346 9.011 1.00 0.00 H new ATOM 962 N ILE A 61 25.853 16.763 9.007 1.00 0.00 N ATOM 963 CA ILE A 61 24.822 17.531 9.744 1.00 0.00 C ATOM 964 C ILE A 61 23.425 17.101 9.285 1.00 0.00 C ATOM 965 O ILE A 61 23.229 16.701 8.153 1.00 0.00 O ATOM 966 CB ILE A 61 25.024 19.023 9.462 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.141 19.836 10.403 1.00 0.00 C ATOM 968 CG2 ILE A 61 24.652 19.334 8.008 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.514 21.317 10.316 1.00 0.00 C ATOM 0 H ILE A 61 26.499 17.327 8.454 1.00 0.00 H new ATOM 0 HA ILE A 61 24.914 17.340 10.813 1.00 0.00 H new ATOM 0 HB ILE A 61 26.070 19.284 9.624 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.092 19.700 10.140 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.262 19.481 11.427 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.798 20.397 7.814 1.00 0.00 H new ATOM 0 HG22 ILE A 61 25.286 18.753 7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.607 19.074 7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.880 21.892 10.990 1.00 0.00 H new ATOM 0 HD12 ILE A 61 25.558 21.447 10.601 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.370 21.669 9.294 1.00 0.00 H new ATOM 1066 N LEU A 67 22.716 27.229 8.949 1.00 0.00 N ATOM 1067 CA LEU A 67 23.642 26.842 10.053 1.00 0.00 C ATOM 1068 C LEU A 67 23.861 28.045 10.972 1.00 0.00 C ATOM 1069 O LEU A 67 24.376 29.066 10.559 1.00 0.00 O ATOM 1070 CB LEU A 67 24.985 26.405 9.461 1.00 0.00 C ATOM 1071 CG LEU A 67 24.747 25.468 8.274 1.00 0.00 C ATOM 1072 CD1 LEU A 67 26.095 25.010 7.711 1.00 0.00 C ATOM 1073 CD2 LEU A 67 23.943 24.248 8.734 1.00 0.00 C ATOM 0 HA LEU A 67 23.210 26.019 10.622 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.552 27.278 9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.581 25.900 10.221 1.00 0.00 H new ATOM 0 HG LEU A 67 24.189 25.996 7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.928 24.343 6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.665 25.878 7.381 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.652 24.483 8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.775 23.583 7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.498 23.717 9.508 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.983 24.575 9.135 1.00 0.00 H new ATOM 1085 N HIS A 68 23.464 27.933 12.219 1.00 0.00 N ATOM 1086 CA HIS A 68 23.633 29.068 13.187 1.00 0.00 C ATOM 1087 C HIS A 68 24.519 28.626 14.353 1.00 0.00 C ATOM 1088 O HIS A 68 24.339 27.563 14.913 1.00 0.00 O ATOM 1089 CB HIS A 68 22.260 29.478 13.723 1.00 0.00 C ATOM 1090 CG HIS A 68 22.421 30.598 14.714 1.00 0.00 C ATOM 1091 ND1 HIS A 68 21.480 30.852 15.703 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.407 31.540 14.883 1.00 0.00 C ATOM 1093 CE1 HIS A 68 21.915 31.907 16.414 1.00 0.00 C ATOM 1094 NE2 HIS A 68 23.081 32.363 15.956 1.00 0.00 N ATOM 0 H HIS A 68 23.027 27.099 12.611 1.00 0.00 H new ATOM 0 HA HIS A 68 24.101 29.911 12.679 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.617 29.795 12.902 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.774 28.626 14.198 1.00 0.00 H new ATOM 0 HD1 HIS A 68 20.616 30.333 15.861 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.297 31.628 14.277 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.385 32.333 17.253 1.00 0.00 H new ATOM 1103 N LEU A 69 25.466 29.450 14.727 1.00 0.00 N ATOM 1104 CA LEU A 69 26.379 29.118 15.867 1.00 0.00 C ATOM 1105 C LEU A 69 26.237 30.209 16.931 1.00 0.00 C ATOM 1106 O LEU A 69 25.813 31.309 16.638 1.00 0.00 O ATOM 1107 CB LEU A 69 27.831 29.090 15.373 1.00 0.00 C ATOM 1108 CG LEU A 69 27.935 28.267 14.084 1.00 0.00 C ATOM 1109 CD1 LEU A 69 29.369 28.332 13.555 1.00 0.00 C ATOM 1110 CD2 LEU A 69 27.566 26.810 14.376 1.00 0.00 C ATOM 0 H LEU A 69 25.648 30.351 14.285 1.00 0.00 H new ATOM 0 HA LEU A 69 26.119 28.143 16.280 1.00 0.00 H new ATOM 0 HB2 LEU A 69 28.182 30.106 15.194 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.476 28.661 16.140 1.00 0.00 H new ATOM 0 HG LEU A 69 27.251 28.672 13.338 1.00 0.00 H new ATOM 0 HD11 LEU A 69 29.445 27.747 12.638 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.634 29.369 13.347 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.051 27.926 14.302 1.00 0.00 H new ATOM 0 HD21 LEU A 69 27.640 26.225 13.459 1.00 0.00 H new ATOM 0 HD22 LEU A 69 28.250 26.404 15.122 1.00 0.00 H new ATOM 0 HD23 LEU A 69 26.545 26.762 14.755 1.00 0.00 H new ATOM 1122 N VAL A 70 26.590 29.926 18.162 1.00 0.00 N ATOM 1123 CA VAL A 70 26.476 30.965 19.235 1.00 0.00 C ATOM 1124 C VAL A 70 27.704 30.885 20.145 1.00 0.00 C ATOM 1125 O VAL A 70 28.013 29.850 20.700 1.00 0.00 O ATOM 1126 CB VAL A 70 25.203 30.721 20.055 1.00 0.00 C ATOM 1127 CG1 VAL A 70 24.004 30.628 19.108 1.00 0.00 C ATOM 1128 CG2 VAL A 70 25.334 29.414 20.849 1.00 0.00 C ATOM 0 H VAL A 70 26.951 29.023 18.470 1.00 0.00 H new ATOM 0 HA VAL A 70 26.423 31.955 18.783 1.00 0.00 H new ATOM 0 HB VAL A 70 25.058 31.546 20.752 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.096 30.455 19.686 1.00 0.00 H new ATOM 0 HG12 VAL A 70 23.907 31.560 18.551 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.154 29.803 18.411 1.00 0.00 H new ATOM 0 HG21 VAL A 70 24.426 29.248 21.429 1.00 0.00 H new ATOM 0 HG22 VAL A 70 25.482 28.583 20.160 1.00 0.00 H new ATOM 0 HG23 VAL A 70 26.188 29.482 21.523 1.00 0.00 H new ATOM 1138 N LEU A 71 28.413 31.973 20.298 1.00 0.00 N ATOM 1139 CA LEU A 71 29.626 31.965 21.166 1.00 0.00 C ATOM 1140 C LEU A 71 29.210 32.183 22.621 1.00 0.00 C ATOM 1141 O LEU A 71 28.247 32.871 22.899 1.00 0.00 O ATOM 1142 CB LEU A 71 30.569 33.094 20.730 1.00 0.00 C ATOM 1143 CG LEU A 71 31.327 32.680 19.465 1.00 0.00 C ATOM 1144 CD1 LEU A 71 30.336 32.215 18.394 1.00 0.00 C ATOM 1145 CD2 LEU A 71 32.119 33.880 18.936 1.00 0.00 C ATOM 0 H LEU A 71 28.203 32.869 19.858 1.00 0.00 H new ATOM 0 HA LEU A 71 30.137 31.006 21.073 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.999 34.004 20.542 1.00 0.00 H new ATOM 0 HB3 LEU A 71 31.274 33.320 21.530 1.00 0.00 H new ATOM 0 HG LEU A 71 32.008 31.863 19.703 1.00 0.00 H new ATOM 0 HD11 LEU A 71 30.881 31.922 17.497 1.00 0.00 H new ATOM 0 HD12 LEU A 71 29.769 31.363 18.769 1.00 0.00 H new ATOM 0 HD13 LEU A 71 29.652 33.029 18.153 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.660 33.590 18.035 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.433 34.694 18.701 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.828 34.211 19.695 1.00 0.00 H new ATOM 1157 N ARG A 72 29.936 31.613 23.552 1.00 0.00 N ATOM 1158 CA ARG A 72 29.606 31.787 25.003 1.00 0.00 C ATOM 1159 C ARG A 72 30.798 32.464 25.685 1.00 0.00 C ATOM 1160 O ARG A 72 31.880 32.520 25.132 1.00 0.00 O ATOM 1161 CB ARG A 72 29.372 30.412 25.635 1.00 0.00 C ATOM 1162 CG ARG A 72 28.735 30.577 27.016 1.00 0.00 C ATOM 1163 CD ARG A 72 28.336 29.205 27.560 1.00 0.00 C ATOM 1164 NE ARG A 72 27.695 29.364 28.897 1.00 0.00 N ATOM 1165 CZ ARG A 72 28.436 29.488 29.966 1.00 0.00 C ATOM 1166 NH1 ARG A 72 27.874 29.623 31.136 1.00 0.00 N ATOM 1167 NH2 ARG A 72 29.737 29.476 29.866 1.00 0.00 N ATOM 0 H ARG A 72 30.751 31.029 23.367 1.00 0.00 H new ATOM 0 HA ARG A 72 28.708 32.394 25.120 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.724 29.813 24.995 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.317 29.876 25.722 1.00 0.00 H new ATOM 0 HG2 ARG A 72 29.436 31.060 27.696 1.00 0.00 H new ATOM 0 HG3 ARG A 72 27.859 31.223 26.950 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.647 28.716 26.871 1.00 0.00 H new ATOM 0 HD3 ARG A 72 29.215 28.565 27.641 1.00 0.00 H new ATOM 0 HE ARG A 72 26.678 29.376 28.977 1.00 0.00 H new ATOM 0 HH11 ARG A 72 26.857 29.632 31.215 1.00 0.00 H new ATOM 0 HH12 ARG A 72 28.452 29.720 31.971 1.00 0.00 H new ATOM 0 HH21 ARG A 72 30.177 29.370 28.952 1.00 0.00 H new ATOM 0 HH22 ARG A 72 30.314 29.573 30.702 1.00 0.00 H new ATOM 1181 N LEU A 73 30.616 32.980 26.876 1.00 0.00 N ATOM 1182 CA LEU A 73 31.743 33.659 27.598 1.00 0.00 C ATOM 1183 C LEU A 73 32.107 32.848 28.844 1.00 0.00 C ATOM 1184 O LEU A 73 31.255 32.286 29.502 1.00 0.00 O ATOM 1185 CB LEU A 73 31.298 35.061 28.024 1.00 0.00 C ATOM 1186 CG LEU A 73 30.711 35.809 26.822 1.00 0.00 C ATOM 1187 CD1 LEU A 73 30.181 37.169 27.282 1.00 0.00 C ATOM 1188 CD2 LEU A 73 31.796 36.015 25.755 1.00 0.00 C ATOM 0 H LEU A 73 29.731 32.961 27.384 1.00 0.00 H new ATOM 0 HA LEU A 73 32.609 33.731 26.940 1.00 0.00 H new ATOM 0 HB2 LEU A 73 30.555 34.991 28.818 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.146 35.614 28.429 1.00 0.00 H new ATOM 0 HG LEU A 73 29.897 35.223 26.395 1.00 0.00 H new ATOM 0 HD11 LEU A 73 29.763 37.704 26.429 1.00 0.00 H new ATOM 0 HD12 LEU A 73 29.406 37.022 28.034 1.00 0.00 H new ATOM 0 HD13 LEU A 73 30.997 37.751 27.711 1.00 0.00 H new ATOM 0 HD21 LEU A 73 31.372 36.547 24.903 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.615 36.598 26.177 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.172 35.046 25.427 1.00 0.00 H new