USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 -26:sc= 0.466 USER MOD Set 1.2: A 9 THR OG1 : rot -77:sc= 0.181 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.06 (180deg=0.98) USER MOD Single : A 2 GLN : amide:sc= -0.601 K(o=-0.6,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -117:sc= 1.03 (180deg=-0.0667) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -31:sc= 0.303 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.759 K(o=0.76,f=-0.0097) USER MOD Single : A 27 LYS NZ :NH3+ 149:sc= 0.563 (180deg=0.228) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 2.27 (180deg=2.02) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 33 LYS NZ :NH3+ 152:sc= 0.359 (180deg=0.0927) USER MOD Single : A 40 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.168 K(o=-0.17,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.305 K(o=0.31,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.202 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.536 K(o=-0.54,f=-4.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 83:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.848 31.909 16.425 1.00 0.00 N ATOM 2 CA MET A 1 13.898 31.904 17.892 1.00 0.00 C ATOM 3 C MET A 1 15.337 32.046 18.396 1.00 0.00 C ATOM 4 O MET A 1 16.203 31.575 17.662 1.00 0.00 O ATOM 5 CB MET A 1 13.214 30.616 18.355 1.00 0.00 C ATOM 6 CG MET A 1 13.957 29.336 17.969 1.00 0.00 C ATOM 7 SD MET A 1 13.196 27.907 18.779 1.00 0.00 S ATOM 8 CE MET A 1 14.686 26.995 19.262 1.00 0.00 C ATOM 0 H1 MET A 1 12.893 31.644 16.109 1.00 0.00 H new ATOM 0 H2 MET A 1 14.077 32.860 16.073 1.00 0.00 H new ATOM 0 H3 MET A 1 14.538 31.226 16.052 1.00 0.00 H new ATOM 0 HA MET A 1 13.372 32.760 18.314 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.104 30.646 19.439 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.209 30.580 17.934 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.934 29.205 16.887 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.005 29.413 18.259 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.400 26.078 19.778 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.264 26.745 18.372 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.291 27.612 19.926 1.00 0.00 H new ATOM 20 N GLN A 2 15.603 32.570 19.588 1.00 0.00 N ATOM 21 CA GLN A 2 16.950 32.726 20.077 1.00 0.00 C ATOM 22 C GLN A 2 17.386 31.629 21.056 1.00 0.00 C ATOM 23 O GLN A 2 16.565 31.142 21.836 1.00 0.00 O ATOM 24 CB GLN A 2 17.254 34.158 20.528 1.00 0.00 C ATOM 25 CG GLN A 2 17.288 35.199 19.411 1.00 0.00 C ATOM 26 CD GLN A 2 17.643 36.609 19.877 1.00 0.00 C ATOM 27 OE1 GLN A 2 17.632 37.465 18.996 1.00 0.00 O ATOM 28 NE2 GLN A 2 17.930 36.813 21.165 1.00 0.00 N ATOM 0 H GLN A 2 14.885 32.895 20.235 1.00 0.00 H new ATOM 0 HA GLN A 2 17.603 32.565 19.219 1.00 0.00 H new ATOM 0 HB2 GLN A 2 16.504 34.458 21.260 1.00 0.00 H new ATOM 0 HB3 GLN A 2 18.217 34.164 21.038 1.00 0.00 H new ATOM 0 HG2 GLN A 2 18.012 34.884 18.659 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.313 35.224 18.924 1.00 0.00 H new ATOM 0 HE21 GLN A 2 17.912 36.033 21.821 1.00 0.00 H new ATOM 0 HE22 GLN A 2 18.168 37.749 21.492 1.00 0.00 H new ATOM 37 N ILE A 3 18.678 31.364 21.166 1.00 0.00 N ATOM 38 CA ILE A 3 19.339 30.548 22.169 1.00 0.00 C ATOM 39 C ILE A 3 20.681 31.236 22.380 1.00 0.00 C ATOM 40 O ILE A 3 21.285 31.738 21.440 1.00 0.00 O ATOM 41 CB ILE A 3 19.356 29.106 21.648 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.131 28.917 20.346 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.990 28.427 21.503 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.692 27.513 20.110 1.00 0.00 C ATOM 0 H ILE A 3 19.347 31.748 20.498 1.00 0.00 H new ATOM 0 HA ILE A 3 18.861 30.468 23.145 1.00 0.00 H new ATOM 0 HB ILE A 3 19.884 28.607 22.460 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.475 29.172 19.513 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.958 29.627 20.330 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.126 27.413 21.127 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.497 28.391 22.474 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.375 28.993 20.804 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.223 27.489 19.159 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.379 27.255 20.916 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.874 26.793 20.087 1.00 0.00 H new ATOM 56 N PHE A 4 21.263 31.072 23.573 1.00 0.00 N ATOM 57 CA PHE A 4 22.306 31.978 24.014 1.00 0.00 C ATOM 58 C PHE A 4 23.513 31.097 24.356 1.00 0.00 C ATOM 59 O PHE A 4 23.489 30.582 25.466 1.00 0.00 O ATOM 60 CB PHE A 4 21.856 32.680 25.296 1.00 0.00 C ATOM 61 CG PHE A 4 20.874 33.805 25.119 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.141 35.062 24.565 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.528 33.448 25.279 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.082 35.898 24.168 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.441 34.193 24.799 1.00 0.00 C ATOM 66 CZ PHE A 4 18.768 35.443 24.245 1.00 0.00 C ATOM 0 H PHE A 4 21.029 30.331 24.234 1.00 0.00 H new ATOM 0 HA PHE A 4 22.534 32.723 23.252 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.412 31.936 25.958 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.739 33.070 25.802 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.162 35.391 24.442 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.312 32.533 25.810 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.288 36.893 23.803 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.425 33.832 24.851 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.975 36.071 23.867 1.00 0.00 H new ATOM 76 N VAL A 5 24.577 31.091 23.557 1.00 0.00 N ATOM 77 CA VAL A 5 25.755 30.295 23.823 1.00 0.00 C ATOM 78 C VAL A 5 26.582 31.002 24.896 1.00 0.00 C ATOM 79 O VAL A 5 27.071 32.110 24.702 1.00 0.00 O ATOM 80 CB VAL A 5 26.564 30.077 22.535 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.775 29.177 22.727 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.722 29.585 21.354 1.00 0.00 C ATOM 0 H VAL A 5 24.639 31.645 22.703 1.00 0.00 H new ATOM 0 HA VAL A 5 25.468 29.308 24.186 1.00 0.00 H new ATOM 0 HB VAL A 5 26.926 31.074 22.285 1.00 0.00 H new ATOM 0 HG11 VAL A 5 28.300 29.066 21.778 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.445 29.621 23.463 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.449 28.198 23.078 1.00 0.00 H new ATOM 0 HG21 VAL A 5 26.361 29.454 20.481 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.258 28.633 21.610 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.947 30.318 21.129 1.00 0.00 H new ATOM 92 N LYS A 6 26.666 30.289 26.020 1.00 0.00 N ATOM 93 CA LYS A 6 27.447 30.678 27.173 1.00 0.00 C ATOM 94 C LYS A 6 28.886 30.215 26.958 1.00 0.00 C ATOM 95 O LYS A 6 29.222 29.129 26.502 1.00 0.00 O ATOM 96 CB LYS A 6 26.888 29.908 28.372 1.00 0.00 C ATOM 97 CG LYS A 6 27.355 30.374 29.760 1.00 0.00 C ATOM 98 CD LYS A 6 26.571 29.624 30.826 1.00 0.00 C ATOM 99 CE LYS A 6 26.843 29.805 32.322 1.00 0.00 C ATOM 100 NZ LYS A 6 26.466 31.182 32.692 1.00 0.00 N ATOM 0 H LYS A 6 26.176 29.403 26.147 1.00 0.00 H new ATOM 0 HA LYS A 6 27.410 31.756 27.328 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.800 29.968 28.340 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.153 28.857 28.257 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.423 30.190 29.879 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.203 31.448 29.867 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.520 29.864 30.668 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.691 28.562 30.613 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.269 29.084 32.903 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.895 29.626 32.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.642 31.330 33.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.033 31.857 32.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.457 31.332 32.491 1.00 0.00 H new ATOM 114 N THR A 7 29.736 31.126 27.438 1.00 0.00 N ATOM 115 CA THR A 7 31.129 30.905 27.744 1.00 0.00 C ATOM 116 C THR A 7 31.402 31.375 29.171 1.00 0.00 C ATOM 117 O THR A 7 30.739 32.262 29.697 1.00 0.00 O ATOM 118 CB THR A 7 32.116 31.436 26.702 1.00 0.00 C ATOM 119 OG1 THR A 7 32.128 32.813 26.468 1.00 0.00 O ATOM 120 CG2 THR A 7 32.001 30.824 25.302 1.00 0.00 C ATOM 0 H THR A 7 29.444 32.084 27.630 1.00 0.00 H new ATOM 0 HA THR A 7 31.317 29.833 27.689 1.00 0.00 H new ATOM 0 HB THR A 7 33.028 31.129 27.215 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.251 33.190 26.690 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.747 31.273 24.646 1.00 0.00 H new ATOM 0 HG22 THR A 7 32.169 29.749 25.360 1.00 0.00 H new ATOM 0 HG23 THR A 7 31.005 31.014 24.902 1.00 0.00 H new ATOM 128 N LEU A 8 32.347 30.704 29.827 1.00 0.00 N ATOM 129 CA LEU A 8 32.893 30.983 31.146 1.00 0.00 C ATOM 130 C LEU A 8 33.311 32.427 31.427 1.00 0.00 C ATOM 131 O LEU A 8 33.470 32.831 32.578 1.00 0.00 O ATOM 132 CB LEU A 8 34.095 30.091 31.482 1.00 0.00 C ATOM 133 CG LEU A 8 33.869 28.581 31.508 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.182 27.801 31.408 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.244 28.080 32.820 1.00 0.00 C ATOM 0 H LEU A 8 32.785 29.882 29.410 1.00 0.00 H new ATOM 0 HA LEU A 8 32.034 30.768 31.781 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.882 30.301 30.757 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.473 30.391 32.459 1.00 0.00 H new ATOM 0 HG LEU A 8 33.208 28.412 30.658 1.00 0.00 H new ATOM 0 HD11 LEU A 8 34.972 26.732 31.430 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.685 28.053 30.474 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.825 28.062 32.248 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.111 26.999 32.770 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.901 28.327 33.654 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.276 28.558 32.968 1.00 0.00 H new ATOM 147 N THR A 9 33.497 33.227 30.386 1.00 0.00 N ATOM 148 CA THR A 9 34.100 34.540 30.431 1.00 0.00 C ATOM 149 C THR A 9 33.176 35.644 30.950 1.00 0.00 C ATOM 150 O THR A 9 33.538 36.652 31.571 1.00 0.00 O ATOM 151 CB THR A 9 34.679 34.910 29.063 1.00 0.00 C ATOM 152 OG1 THR A 9 33.740 35.189 28.050 1.00 0.00 O ATOM 153 CG2 THR A 9 35.787 33.980 28.561 1.00 0.00 C ATOM 0 H THR A 9 33.215 32.959 29.443 1.00 0.00 H new ATOM 0 HA THR A 9 34.904 34.471 31.164 1.00 0.00 H new ATOM 0 HB THR A 9 35.151 35.867 29.288 1.00 0.00 H new ATOM 0 HG1 THR A 9 33.361 34.350 27.715 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.134 34.321 27.586 1.00 0.00 H new ATOM 0 HG22 THR A 9 36.618 33.990 29.266 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.398 32.965 28.473 1.00 0.00 H new ATOM 161 N GLY A 10 31.894 35.579 30.596 1.00 0.00 N ATOM 162 CA GLY A 10 30.885 36.587 30.807 1.00 0.00 C ATOM 163 C GLY A 10 30.337 37.021 29.437 1.00 0.00 C ATOM 164 O GLY A 10 29.192 37.463 29.372 1.00 0.00 O ATOM 0 H GLY A 10 31.518 34.758 30.122 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.081 36.194 31.430 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.308 37.442 31.334 1.00 0.00 H new ATOM 168 N LYS A 11 30.986 36.748 28.312 1.00 0.00 N ATOM 169 CA LYS A 11 30.598 36.969 26.941 1.00 0.00 C ATOM 170 C LYS A 11 29.599 35.868 26.581 1.00 0.00 C ATOM 171 O LYS A 11 29.911 34.712 26.874 1.00 0.00 O ATOM 172 CB LYS A 11 31.760 36.992 25.949 1.00 0.00 C ATOM 173 CG LYS A 11 31.515 37.789 24.662 1.00 0.00 C ATOM 174 CD LYS A 11 32.728 37.654 23.737 1.00 0.00 C ATOM 175 CE LYS A 11 32.666 38.374 22.395 1.00 0.00 C ATOM 176 NZ LYS A 11 33.738 38.070 21.439 1.00 0.00 N ATOM 0 H LYS A 11 31.908 36.314 28.355 1.00 0.00 H new ATOM 0 HA LYS A 11 30.161 37.965 26.864 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.635 37.406 26.451 1.00 0.00 H new ATOM 0 HB3 LYS A 11 32.004 35.965 25.678 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.619 37.423 24.160 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.341 38.838 24.899 1.00 0.00 H new ATOM 0 HD2 LYS A 11 33.604 38.017 24.274 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.889 36.593 23.544 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.712 38.137 21.924 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.671 39.448 22.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 34.288 38.932 21.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.364 37.342 21.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.323 37.720 20.552 1.00 0.00 H new ATOM 190 N THR A 12 28.510 36.134 25.857 1.00 0.00 N ATOM 191 CA THR A 12 27.376 35.298 25.559 1.00 0.00 C ATOM 192 C THR A 12 26.991 35.584 24.108 1.00 0.00 C ATOM 193 O THR A 12 26.686 36.742 23.839 1.00 0.00 O ATOM 194 CB THR A 12 26.245 35.499 26.568 1.00 0.00 C ATOM 195 OG1 THR A 12 26.745 35.434 27.885 1.00 0.00 O ATOM 196 CG2 THR A 12 25.144 34.449 26.412 1.00 0.00 C ATOM 0 H THR A 12 28.403 37.050 25.421 1.00 0.00 H new ATOM 0 HA THR A 12 27.616 34.239 25.656 1.00 0.00 H new ATOM 0 HB THR A 12 25.819 36.483 26.372 1.00 0.00 H new ATOM 0 HG1 THR A 12 26.011 35.566 28.521 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.361 34.630 27.149 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.720 34.512 25.410 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.564 33.455 26.566 1.00 0.00 H new ATOM 204 N ILE A 13 27.063 34.582 23.238 1.00 0.00 N ATOM 205 CA ILE A 13 26.872 34.674 21.804 1.00 0.00 C ATOM 206 C ILE A 13 25.387 34.420 21.543 1.00 0.00 C ATOM 207 O ILE A 13 24.873 33.327 21.794 1.00 0.00 O ATOM 208 CB ILE A 13 27.781 33.749 21.007 1.00 0.00 C ATOM 209 CG1 ILE A 13 29.280 33.647 21.273 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.487 33.990 19.518 1.00 0.00 C ATOM 211 CD1 ILE A 13 30.045 34.964 21.404 1.00 0.00 C ATOM 0 H ILE A 13 27.269 33.629 23.538 1.00 0.00 H new ATOM 0 HA ILE A 13 27.159 35.666 21.455 1.00 0.00 H new ATOM 0 HB ILE A 13 27.508 32.765 21.389 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.425 33.077 22.191 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.731 33.071 20.465 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.121 33.343 18.912 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.440 33.767 19.313 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.691 35.032 19.271 1.00 0.00 H new ATOM 0 HD11 ILE A 13 31.098 34.756 21.591 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.947 35.535 20.481 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.636 35.541 22.233 1.00 0.00 H new ATOM 223 N THR A 14 24.677 35.401 20.996 1.00 0.00 N ATOM 224 CA THR A 14 23.287 35.342 20.603 1.00 0.00 C ATOM 225 C THR A 14 23.182 34.706 19.210 1.00 0.00 C ATOM 226 O THR A 14 23.855 35.211 18.321 1.00 0.00 O ATOM 227 CB THR A 14 22.771 36.785 20.589 1.00 0.00 C ATOM 228 OG1 THR A 14 22.992 37.368 21.855 1.00 0.00 O ATOM 229 CG2 THR A 14 21.255 36.874 20.432 1.00 0.00 C ATOM 0 H THR A 14 25.090 36.314 20.806 1.00 0.00 H new ATOM 0 HA THR A 14 22.695 34.737 21.290 1.00 0.00 H new ATOM 0 HB THR A 14 23.287 37.270 19.760 1.00 0.00 H new ATOM 0 HG1 THR A 14 22.665 38.292 21.851 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.950 37.921 20.429 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.958 36.407 19.493 1.00 0.00 H new ATOM 0 HG23 THR A 14 20.772 36.358 21.262 1.00 0.00 H new ATOM 237 N LEU A 15 22.506 33.574 19.022 1.00 0.00 N ATOM 238 CA LEU A 15 22.199 32.963 17.751 1.00 0.00 C ATOM 239 C LEU A 15 20.676 32.873 17.668 1.00 0.00 C ATOM 240 O LEU A 15 20.090 32.422 18.645 1.00 0.00 O ATOM 241 CB LEU A 15 22.751 31.536 17.769 1.00 0.00 C ATOM 242 CG LEU A 15 24.252 31.442 17.982 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.672 29.973 18.063 1.00 0.00 C ATOM 244 CD2 LEU A 15 25.082 32.183 16.928 1.00 0.00 C ATOM 0 H LEU A 15 22.141 33.034 19.807 1.00 0.00 H new ATOM 0 HA LEU A 15 22.619 33.527 16.919 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.249 30.976 18.558 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.500 31.051 16.826 1.00 0.00 H new ATOM 0 HG LEU A 15 24.461 31.947 18.925 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.749 29.911 18.216 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.159 29.493 18.896 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.407 29.467 17.134 1.00 0.00 H new ATOM 0 HD21 LEU A 15 26.142 32.067 17.152 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.872 31.768 15.942 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.823 33.242 16.939 1.00 0.00 H new ATOM 256 N GLU A 16 20.171 33.258 16.496 1.00 0.00 N ATOM 257 CA GLU A 16 18.893 32.927 15.889 1.00 0.00 C ATOM 258 C GLU A 16 19.043 31.634 15.076 1.00 0.00 C ATOM 259 O GLU A 16 19.872 31.383 14.205 1.00 0.00 O ATOM 260 CB GLU A 16 18.341 33.962 14.914 1.00 0.00 C ATOM 261 CG GLU A 16 17.990 35.375 15.392 1.00 0.00 C ATOM 262 CD GLU A 16 19.152 36.345 15.231 1.00 0.00 C ATOM 263 OE1 GLU A 16 20.216 35.978 14.679 1.00 0.00 O ATOM 264 OE2 GLU A 16 18.992 37.536 15.584 1.00 0.00 O ATOM 0 H GLU A 16 20.709 33.875 15.888 1.00 0.00 H new ATOM 0 HA GLU A 16 18.204 32.855 16.730 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.070 34.067 14.110 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.439 33.539 14.473 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.132 35.743 14.830 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.693 35.338 16.440 1.00 0.00 H new ATOM 271 N VAL A 17 18.131 30.770 15.519 1.00 0.00 N ATOM 272 CA VAL A 17 17.976 29.406 15.040 1.00 0.00 C ATOM 273 C VAL A 17 16.484 29.247 14.765 1.00 0.00 C ATOM 274 O VAL A 17 15.645 29.992 15.268 1.00 0.00 O ATOM 275 CB VAL A 17 18.519 28.446 16.093 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.017 28.490 16.373 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.878 28.686 17.464 1.00 0.00 C ATOM 0 H VAL A 17 17.459 31.013 16.246 1.00 0.00 H new ATOM 0 HA VAL A 17 18.534 29.185 14.130 1.00 0.00 H new ATOM 0 HB VAL A 17 18.274 27.487 15.637 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.265 27.757 17.141 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.565 28.258 15.460 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.293 29.486 16.719 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.291 27.982 18.187 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.086 29.705 17.790 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.800 28.541 17.392 1.00 0.00 H new ATOM 287 N GLU A 18 16.143 28.127 14.113 1.00 0.00 N ATOM 288 CA GLU A 18 14.861 27.457 14.066 1.00 0.00 C ATOM 289 C GLU A 18 14.956 26.028 14.615 1.00 0.00 C ATOM 290 O GLU A 18 16.083 25.549 14.684 1.00 0.00 O ATOM 291 CB GLU A 18 14.426 27.411 12.609 1.00 0.00 C ATOM 292 CG GLU A 18 14.210 28.833 12.095 1.00 0.00 C ATOM 293 CD GLU A 18 12.955 29.446 12.694 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.864 28.915 12.377 1.00 0.00 O ATOM 295 OE2 GLU A 18 13.026 30.497 13.377 1.00 0.00 O ATOM 0 H GLU A 18 16.835 27.628 13.554 1.00 0.00 H new ATOM 0 HA GLU A 18 14.143 27.999 14.682 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.183 26.907 12.008 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.506 26.834 12.511 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.074 29.449 12.345 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.130 28.822 11.008 1.00 0.00 H new ATOM 302 N PRO A 19 13.893 25.321 14.992 1.00 0.00 N ATOM 303 CA PRO A 19 13.902 23.956 15.472 1.00 0.00 C ATOM 304 C PRO A 19 14.608 22.872 14.658 1.00 0.00 C ATOM 305 O PRO A 19 14.981 21.906 15.315 1.00 0.00 O ATOM 306 CB PRO A 19 12.409 23.668 15.689 1.00 0.00 C ATOM 307 CG PRO A 19 11.705 24.998 15.926 1.00 0.00 C ATOM 308 CD PRO A 19 12.618 25.985 15.206 1.00 0.00 C ATOM 0 HA PRO A 19 14.535 23.899 16.358 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.988 23.163 14.820 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.269 23.005 16.542 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.696 25.003 15.513 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.616 25.227 16.988 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.180 26.290 14.256 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.751 26.889 15.801 1.00 0.00 H new ATOM 316 N SER A 20 14.809 23.017 13.340 1.00 0.00 N ATOM 317 CA SER A 20 15.550 22.045 12.562 1.00 0.00 C ATOM 318 C SER A 20 17.052 22.313 12.528 1.00 0.00 C ATOM 319 O SER A 20 17.721 21.523 11.872 1.00 0.00 O ATOM 320 CB SER A 20 14.846 21.883 11.213 1.00 0.00 C ATOM 321 OG SER A 20 15.321 20.817 10.428 1.00 0.00 O ATOM 0 H SER A 20 14.461 23.808 12.798 1.00 0.00 H new ATOM 0 HA SER A 20 15.533 21.068 13.046 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.780 21.740 11.389 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.954 22.809 10.648 1.00 0.00 H new ATOM 0 HG SER A 20 16.275 20.679 10.606 1.00 0.00 H new ATOM 327 N ASP A 21 17.603 23.330 13.187 1.00 0.00 N ATOM 328 CA ASP A 21 19.011 23.676 13.094 1.00 0.00 C ATOM 329 C ASP A 21 19.948 22.538 13.523 1.00 0.00 C ATOM 330 O ASP A 21 20.017 22.218 14.707 1.00 0.00 O ATOM 331 CB ASP A 21 19.186 24.996 13.845 1.00 0.00 C ATOM 332 CG ASP A 21 19.019 26.265 13.020 1.00 0.00 C ATOM 333 OD1 ASP A 21 17.922 26.503 12.477 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.931 27.104 12.863 1.00 0.00 O ATOM 0 H ASP A 21 17.073 23.942 13.808 1.00 0.00 H new ATOM 0 HA ASP A 21 19.315 23.820 12.057 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.467 25.022 14.664 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.180 25.007 14.293 1.00 0.00 H new ATOM 339 N THR A 22 20.778 21.959 12.664 1.00 0.00 N ATOM 340 CA THR A 22 21.781 20.999 13.069 1.00 0.00 C ATOM 341 C THR A 22 22.939 21.636 13.829 1.00 0.00 C ATOM 342 O THR A 22 23.219 22.834 13.771 1.00 0.00 O ATOM 343 CB THR A 22 22.190 20.353 11.744 1.00 0.00 C ATOM 344 OG1 THR A 22 22.807 21.157 10.764 1.00 0.00 O ATOM 345 CG2 THR A 22 21.112 19.403 11.202 1.00 0.00 C ATOM 0 H THR A 22 20.769 22.148 11.662 1.00 0.00 H new ATOM 0 HA THR A 22 21.411 20.268 13.788 1.00 0.00 H new ATOM 0 HB THR A 22 23.049 19.749 12.038 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.013 20.612 9.976 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.449 18.970 10.260 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.932 18.607 11.924 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.188 19.958 11.036 1.00 0.00 H new ATOM 353 N ILE A 23 23.682 20.825 14.582 1.00 0.00 N ATOM 354 CA ILE A 23 24.962 21.182 15.169 1.00 0.00 C ATOM 355 C ILE A 23 25.941 21.815 14.184 1.00 0.00 C ATOM 356 O ILE A 23 26.481 22.855 14.570 1.00 0.00 O ATOM 357 CB ILE A 23 25.438 19.964 15.982 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.393 19.656 17.053 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.827 20.094 16.589 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.385 18.260 17.691 1.00 0.00 C ATOM 0 H ILE A 23 23.395 19.872 14.804 1.00 0.00 H new ATOM 0 HA ILE A 23 24.869 22.014 15.867 1.00 0.00 H new ATOM 0 HB ILE A 23 25.536 19.136 15.280 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.515 20.385 17.854 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.410 19.825 16.614 1.00 0.00 H new ATOM 0 HG21 ILE A 23 27.069 19.186 17.141 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.559 20.242 15.795 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.849 20.947 17.267 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.586 18.202 18.430 1.00 0.00 H new ATOM 0 HD12 ILE A 23 24.221 17.508 16.919 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.343 18.077 18.178 1.00 0.00 H new ATOM 372 N GLU A 24 25.999 21.396 12.927 1.00 0.00 N ATOM 373 CA GLU A 24 26.590 21.992 11.743 1.00 0.00 C ATOM 374 C GLU A 24 26.022 23.364 11.408 1.00 0.00 C ATOM 375 O GLU A 24 26.817 24.200 10.954 1.00 0.00 O ATOM 376 CB GLU A 24 26.429 20.994 10.594 1.00 0.00 C ATOM 377 CG GLU A 24 27.344 19.770 10.689 1.00 0.00 C ATOM 378 CD GLU A 24 28.821 20.040 10.487 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.180 20.855 9.605 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.631 19.274 11.060 1.00 0.00 O ATOM 0 H GLU A 24 25.570 20.503 12.685 1.00 0.00 H new ATOM 0 HA GLU A 24 27.647 22.185 11.928 1.00 0.00 H new ATOM 0 HB2 GLU A 24 25.393 20.657 10.564 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.625 21.507 9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.207 19.312 11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 24 27.022 19.039 9.947 1.00 0.00 H new ATOM 387 N ASN A 25 24.768 23.691 11.685 1.00 0.00 N ATOM 388 CA ASN A 25 24.196 24.991 11.380 1.00 0.00 C ATOM 389 C ASN A 25 24.516 25.983 12.505 1.00 0.00 C ATOM 390 O ASN A 25 24.641 27.168 12.218 1.00 0.00 O ATOM 391 CB ASN A 25 22.679 24.792 11.373 1.00 0.00 C ATOM 392 CG ASN A 25 22.022 25.453 10.168 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.340 25.056 9.051 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.126 26.423 10.308 1.00 0.00 N ATOM 0 H ASN A 25 24.112 23.051 12.134 1.00 0.00 H new ATOM 0 HA ASN A 25 24.587 25.371 10.436 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.453 23.726 11.369 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.255 25.204 12.289 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.697 26.844 9.484 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.867 26.747 11.240 1.00 0.00 H new ATOM 401 N VAL A 26 24.613 25.554 13.763 1.00 0.00 N ATOM 402 CA VAL A 26 25.124 26.441 14.781 1.00 0.00 C ATOM 403 C VAL A 26 26.622 26.643 14.561 1.00 0.00 C ATOM 404 O VAL A 26 26.997 27.813 14.545 1.00 0.00 O ATOM 405 CB VAL A 26 24.844 25.727 16.102 1.00 0.00 C ATOM 406 CG1 VAL A 26 25.571 26.299 17.308 1.00 0.00 C ATOM 407 CG2 VAL A 26 23.360 25.864 16.429 1.00 0.00 C ATOM 0 H VAL A 26 24.350 24.623 14.086 1.00 0.00 H new ATOM 0 HA VAL A 26 24.663 27.429 14.765 1.00 0.00 H new ATOM 0 HB VAL A 26 25.185 24.704 15.945 1.00 0.00 H new ATOM 0 HG11 VAL A 26 25.308 25.726 18.197 1.00 0.00 H new ATOM 0 HG12 VAL A 26 26.647 26.242 17.145 1.00 0.00 H new ATOM 0 HG13 VAL A 26 25.280 27.340 17.448 1.00 0.00 H new ATOM 0 HG21 VAL A 26 23.147 25.358 17.371 1.00 0.00 H new ATOM 0 HG22 VAL A 26 23.103 26.920 16.518 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.769 25.412 15.632 1.00 0.00 H new ATOM 417 N LYS A 27 27.431 25.601 14.403 1.00 0.00 N ATOM 418 CA LYS A 27 28.852 25.668 14.129 1.00 0.00 C ATOM 419 C LYS A 27 29.251 26.711 13.081 1.00 0.00 C ATOM 420 O LYS A 27 30.139 27.536 13.277 1.00 0.00 O ATOM 421 CB LYS A 27 29.289 24.273 13.695 1.00 0.00 C ATOM 422 CG LYS A 27 29.632 23.274 14.810 1.00 0.00 C ATOM 423 CD LYS A 27 29.641 21.866 14.228 1.00 0.00 C ATOM 424 CE LYS A 27 30.240 20.792 15.140 1.00 0.00 C ATOM 425 NZ LYS A 27 30.287 19.451 14.545 1.00 0.00 N ATOM 0 H LYS A 27 27.091 24.641 14.467 1.00 0.00 H new ATOM 0 HA LYS A 27 29.358 25.994 15.038 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.494 23.842 13.087 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.163 24.376 13.051 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.605 23.510 15.241 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.901 23.344 15.616 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.617 21.584 13.984 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.200 21.880 13.292 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.252 21.090 15.416 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.658 20.748 16.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.106 18.932 14.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.414 18.937 14.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.375 19.532 13.512 1.00 0.00 H new ATOM 439 N ALA A 28 28.523 26.689 11.964 1.00 0.00 N ATOM 440 CA ALA A 28 28.776 27.643 10.896 1.00 0.00 C ATOM 441 C ALA A 28 28.359 29.086 11.170 1.00 0.00 C ATOM 442 O ALA A 28 28.878 30.066 10.648 1.00 0.00 O ATOM 443 CB ALA A 28 27.939 27.138 9.719 1.00 0.00 C ATOM 0 H ALA A 28 27.766 26.030 11.781 1.00 0.00 H new ATOM 0 HA ALA A 28 29.854 27.687 10.739 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.072 27.803 8.866 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.261 26.132 9.448 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.887 27.118 10.003 1.00 0.00 H new ATOM 449 N LYS A 29 27.401 29.246 12.076 1.00 0.00 N ATOM 450 CA LYS A 29 26.754 30.500 12.401 1.00 0.00 C ATOM 451 C LYS A 29 27.655 31.143 13.451 1.00 0.00 C ATOM 452 O LYS A 29 27.873 32.340 13.262 1.00 0.00 O ATOM 453 CB LYS A 29 25.310 30.304 12.882 1.00 0.00 C ATOM 454 CG LYS A 29 24.236 30.237 11.797 1.00 0.00 C ATOM 455 CD LYS A 29 22.871 29.945 12.434 1.00 0.00 C ATOM 456 CE LYS A 29 21.775 29.769 11.382 1.00 0.00 C ATOM 457 NZ LYS A 29 20.494 29.570 12.083 1.00 0.00 N ATOM 0 H LYS A 29 27.042 28.466 12.626 1.00 0.00 H new ATOM 0 HA LYS A 29 26.646 31.143 11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.266 29.383 13.464 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.061 31.121 13.559 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.199 31.180 11.251 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.484 29.460 11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.940 29.042 13.041 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.602 30.761 13.105 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.723 30.646 10.736 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.995 28.914 10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.715 29.583 11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.506 28.653 12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.356 30.333 12.776 1.00 0.00 H new ATOM 471 N ILE A 30 28.196 30.451 14.446 1.00 0.00 N ATOM 472 CA ILE A 30 29.234 30.838 15.382 1.00 0.00 C ATOM 473 C ILE A 30 30.372 31.421 14.545 1.00 0.00 C ATOM 474 O ILE A 30 30.701 32.545 14.913 1.00 0.00 O ATOM 475 CB ILE A 30 29.581 29.757 16.404 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.475 29.339 17.375 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.656 30.222 17.390 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.717 28.025 18.107 1.00 0.00 C ATOM 0 H ILE A 30 27.880 29.500 14.634 1.00 0.00 H new ATOM 0 HA ILE A 30 28.898 31.615 16.069 1.00 0.00 H new ATOM 0 HB ILE A 30 29.854 28.943 15.732 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.345 30.129 18.114 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.539 29.262 16.822 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.871 29.422 18.098 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.564 30.477 16.844 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.299 31.098 17.931 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.877 27.818 18.770 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.814 27.217 17.382 1.00 0.00 H new ATOM 0 HD13 ILE A 30 29.633 28.099 18.693 1.00 0.00 H new ATOM 490 N GLN A 31 30.948 30.663 13.619 1.00 0.00 N ATOM 491 CA GLN A 31 31.912 31.107 12.635 1.00 0.00 C ATOM 492 C GLN A 31 31.589 32.391 11.862 1.00 0.00 C ATOM 493 O GLN A 31 32.473 33.235 11.735 1.00 0.00 O ATOM 494 CB GLN A 31 32.275 29.885 11.800 1.00 0.00 C ATOM 495 CG GLN A 31 33.578 30.059 11.013 1.00 0.00 C ATOM 496 CD GLN A 31 33.908 28.917 10.066 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.009 28.202 9.644 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.196 28.903 9.729 1.00 0.00 N ATOM 0 H GLN A 31 30.739 29.668 13.535 1.00 0.00 H new ATOM 0 HA GLN A 31 32.796 31.482 13.150 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.367 29.019 12.455 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.463 29.674 11.104 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.518 30.983 10.438 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.400 30.176 11.719 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.844 29.561 10.162 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.535 28.234 9.037 1.00 0.00 H new ATOM 507 N ASP A 32 30.407 32.485 11.273 1.00 0.00 N ATOM 508 CA ASP A 32 30.027 33.596 10.421 1.00 0.00 C ATOM 509 C ASP A 32 29.991 34.919 11.178 1.00 0.00 C ATOM 510 O ASP A 32 30.413 35.946 10.648 1.00 0.00 O ATOM 511 CB ASP A 32 28.667 33.254 9.807 1.00 0.00 C ATOM 512 CG ASP A 32 28.194 34.273 8.778 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.972 34.553 7.842 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.076 34.776 9.009 1.00 0.00 O ATOM 0 H ASP A 32 29.676 31.781 11.376 1.00 0.00 H new ATOM 0 HA ASP A 32 30.772 33.735 9.638 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.726 32.273 9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 32 27.926 33.181 10.603 1.00 0.00 H new ATOM 519 N LYS A 33 29.561 34.813 12.432 1.00 0.00 N ATOM 520 CA LYS A 33 29.619 35.966 13.312 1.00 0.00 C ATOM 521 C LYS A 33 31.018 36.101 13.898 1.00 0.00 C ATOM 522 O LYS A 33 31.723 37.070 13.610 1.00 0.00 O ATOM 523 CB LYS A 33 28.438 35.866 14.286 1.00 0.00 C ATOM 524 CG LYS A 33 26.943 35.961 14.015 1.00 0.00 C ATOM 525 CD LYS A 33 26.083 35.309 15.088 1.00 0.00 C ATOM 526 CE LYS A 33 24.620 35.756 14.998 1.00 0.00 C ATOM 527 NZ LYS A 33 24.470 36.929 15.881 1.00 0.00 N ATOM 0 H LYS A 33 29.179 33.964 12.849 1.00 0.00 H new ATOM 0 HA LYS A 33 29.484 36.919 12.801 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.568 34.902 14.779 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.632 36.635 15.034 1.00 0.00 H new ATOM 0 HG2 LYS A 33 26.665 37.011 13.928 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.727 35.493 13.055 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.138 34.225 14.988 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.479 35.559 16.072 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.357 36.011 13.971 1.00 0.00 H new ATOM 0 HE3 LYS A 33 23.952 34.952 15.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.704 37.536 15.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.241 36.611 16.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.359 37.468 15.896 1.00 0.00 H new ATOM 541 N GLU A 34 31.352 35.263 14.873 1.00 0.00 N ATOM 542 CA GLU A 34 32.429 35.485 15.815 1.00 0.00 C ATOM 543 C GLU A 34 33.736 34.876 15.315 1.00 0.00 C ATOM 544 O GLU A 34 34.774 35.214 15.877 1.00 0.00 O ATOM 545 CB GLU A 34 32.021 34.793 17.118 1.00 0.00 C ATOM 546 CG GLU A 34 31.048 35.701 17.868 1.00 0.00 C ATOM 547 CD GLU A 34 31.586 36.980 18.491 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.750 37.036 18.948 1.00 0.00 O ATOM 549 OE2 GLU A 34 30.888 38.023 18.450 1.00 0.00 O ATOM 0 H GLU A 34 30.861 34.383 15.030 1.00 0.00 H new ATOM 0 HA GLU A 34 32.593 36.554 15.950 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.554 33.831 16.905 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.900 34.592 17.731 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.252 35.978 17.177 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.590 35.112 18.662 1.00 0.00 H new ATOM 556 N GLY A 35 33.767 33.902 14.408 1.00 0.00 N ATOM 557 CA GLY A 35 34.988 33.563 13.714 1.00 0.00 C ATOM 558 C GLY A 35 35.736 32.380 14.327 1.00 0.00 C ATOM 559 O GLY A 35 36.850 32.147 13.867 1.00 0.00 O ATOM 0 H GLY A 35 32.958 33.340 14.143 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.753 33.333 12.675 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.645 34.433 13.707 1.00 0.00 H new ATOM 563 N ILE A 36 35.255 31.764 15.406 1.00 0.00 N ATOM 564 CA ILE A 36 35.691 30.477 15.886 1.00 0.00 C ATOM 565 C ILE A 36 35.286 29.397 14.872 1.00 0.00 C ATOM 566 O ILE A 36 34.135 29.270 14.478 1.00 0.00 O ATOM 567 CB ILE A 36 35.123 30.243 17.293 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.217 31.484 18.184 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.580 29.022 18.096 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.598 31.369 19.584 1.00 0.00 C ATOM 0 H ILE A 36 34.522 32.174 15.985 1.00 0.00 H new ATOM 0 HA ILE A 36 36.776 30.434 15.975 1.00 0.00 H new ATOM 0 HB ILE A 36 34.093 30.009 17.025 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.269 31.745 18.296 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.737 32.314 17.665 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.079 29.015 19.064 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.328 28.113 17.550 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.659 29.068 18.246 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.728 32.310 20.118 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.535 31.146 19.495 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.091 30.568 20.135 1.00 0.00 H new ATOM 582 N PRO A 37 36.233 28.569 14.424 1.00 0.00 N ATOM 583 CA PRO A 37 36.044 27.441 13.541 1.00 0.00 C ATOM 584 C PRO A 37 35.441 26.262 14.309 1.00 0.00 C ATOM 585 O PRO A 37 35.724 26.053 15.492 1.00 0.00 O ATOM 586 CB PRO A 37 37.425 27.103 12.976 1.00 0.00 C ATOM 587 CG PRO A 37 38.259 27.398 14.220 1.00 0.00 C ATOM 588 CD PRO A 37 37.618 28.633 14.845 1.00 0.00 C ATOM 0 HA PRO A 37 35.349 27.670 12.733 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.506 26.066 12.649 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.698 27.728 12.126 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.247 26.555 14.911 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.301 27.583 13.961 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.705 28.619 15.931 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.097 29.549 14.498 1.00 0.00 H new ATOM 596 N PRO A 38 34.510 25.512 13.733 1.00 0.00 N ATOM 597 CA PRO A 38 33.915 24.244 14.115 1.00 0.00 C ATOM 598 C PRO A 38 34.817 23.147 14.676 1.00 0.00 C ATOM 599 O PRO A 38 34.367 22.377 15.514 1.00 0.00 O ATOM 600 CB PRO A 38 33.082 23.731 12.933 1.00 0.00 C ATOM 601 CG PRO A 38 32.662 25.048 12.295 1.00 0.00 C ATOM 602 CD PRO A 38 33.803 26.025 12.578 1.00 0.00 C ATOM 0 HA PRO A 38 33.312 24.480 14.992 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.665 23.109 12.254 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.228 23.136 13.256 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.503 24.931 11.223 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.724 25.407 12.719 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.469 26.102 11.719 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.417 27.026 12.773 1.00 0.00 H new ATOM 610 N ASP A 39 36.043 23.101 14.156 1.00 0.00 N ATOM 611 CA ASP A 39 37.035 22.220 14.734 1.00 0.00 C ATOM 612 C ASP A 39 37.452 22.618 16.148 1.00 0.00 C ATOM 613 O ASP A 39 37.656 21.696 16.943 1.00 0.00 O ATOM 614 CB ASP A 39 38.243 22.074 13.803 1.00 0.00 C ATOM 615 CG ASP A 39 39.462 21.391 14.415 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.315 20.158 14.598 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.528 22.023 14.573 1.00 0.00 O ATOM 0 H ASP A 39 36.360 23.650 13.357 1.00 0.00 H new ATOM 0 HA ASP A 39 36.561 21.244 14.836 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.936 21.510 12.922 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.538 23.066 13.460 1.00 0.00 H new ATOM 622 N GLN A 40 37.425 23.884 16.571 1.00 0.00 N ATOM 623 CA GLN A 40 37.989 24.341 17.827 1.00 0.00 C ATOM 624 C GLN A 40 37.012 24.151 18.989 1.00 0.00 C ATOM 625 O GLN A 40 37.286 24.469 20.146 1.00 0.00 O ATOM 626 CB GLN A 40 38.517 25.772 17.867 1.00 0.00 C ATOM 627 CG GLN A 40 39.494 26.098 18.995 1.00 0.00 C ATOM 628 CD GLN A 40 40.935 25.613 18.940 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.675 25.520 19.922 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.310 25.211 17.732 1.00 0.00 N ATOM 0 H GLN A 40 36.997 24.634 16.029 1.00 0.00 H new ATOM 0 HA GLN A 40 38.865 23.700 17.930 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.008 25.983 16.917 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.666 26.449 17.944 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.525 27.184 19.089 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.060 25.710 19.917 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.671 25.304 16.942 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.237 24.810 17.593 1.00 0.00 H new ATOM 639 N GLN A 41 35.799 23.674 18.753 1.00 0.00 N ATOM 640 CA GLN A 41 34.683 23.690 19.680 1.00 0.00 C ATOM 641 C GLN A 41 34.152 22.359 20.215 1.00 0.00 C ATOM 642 O GLN A 41 34.020 21.533 19.308 1.00 0.00 O ATOM 643 CB GLN A 41 33.540 24.237 18.831 1.00 0.00 C ATOM 644 CG GLN A 41 33.715 25.721 18.498 1.00 0.00 C ATOM 645 CD GLN A 41 32.661 26.308 17.579 1.00 0.00 C ATOM 646 OE1 GLN A 41 32.980 27.353 17.016 1.00 0.00 O ATOM 647 NE2 GLN A 41 31.599 25.607 17.186 1.00 0.00 N ATOM 0 H GLN A 41 35.556 23.243 17.861 1.00 0.00 H new ATOM 0 HA GLN A 41 35.024 24.234 20.561 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.474 23.666 17.905 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.598 24.096 19.361 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.718 26.287 19.429 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.693 25.860 18.038 1.00 0.00 H new ATOM 0 HE21 GLN A 41 31.352 24.742 17.667 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.033 25.935 16.404 1.00 0.00 H new ATOM 656 N ARG A 42 33.895 22.225 21.511 1.00 0.00 N ATOM 657 CA ARG A 42 33.109 21.216 22.167 1.00 0.00 C ATOM 658 C ARG A 42 31.886 22.017 22.636 1.00 0.00 C ATOM 659 O ARG A 42 32.022 23.177 23.014 1.00 0.00 O ATOM 660 CB ARG A 42 33.800 20.642 23.405 1.00 0.00 C ATOM 661 CG ARG A 42 35.159 19.961 23.205 1.00 0.00 C ATOM 662 CD ARG A 42 35.639 19.066 24.349 1.00 0.00 C ATOM 663 NE ARG A 42 37.032 18.644 24.196 1.00 0.00 N ATOM 664 CZ ARG A 42 37.495 17.564 23.567 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.698 16.810 22.798 1.00 0.00 N ATOM 666 NH2 ARG A 42 38.794 17.239 23.654 1.00 0.00 N ATOM 0 H ARG A 42 34.274 22.891 22.184 1.00 0.00 H new ATOM 0 HA ARG A 42 32.908 20.370 21.510 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.932 21.452 24.122 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.125 19.918 23.862 1.00 0.00 H new ATOM 0 HG2 ARG A 42 35.111 19.360 22.297 1.00 0.00 H new ATOM 0 HG3 ARG A 42 35.909 20.734 23.037 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.528 19.600 25.293 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.001 18.184 24.405 1.00 0.00 H new ATOM 0 HE ARG A 42 37.733 19.250 24.622 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.715 17.058 22.685 1.00 0.00 H new ATOM 0 HH12 ARG A 42 37.074 15.988 22.326 1.00 0.00 H new ATOM 0 HH21 ARG A 42 39.429 17.819 24.202 1.00 0.00 H new ATOM 0 HH22 ARG A 42 39.146 16.412 23.172 1.00 0.00 H new ATOM 680 N LEU A 43 30.702 21.412 22.544 1.00 0.00 N ATOM 681 CA LEU A 43 29.431 22.045 22.832 1.00 0.00 C ATOM 682 C LEU A 43 28.573 21.101 23.673 1.00 0.00 C ATOM 683 O LEU A 43 28.541 19.885 23.470 1.00 0.00 O ATOM 684 CB LEU A 43 28.623 22.249 21.553 1.00 0.00 C ATOM 685 CG LEU A 43 29.390 22.951 20.427 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.683 22.768 19.090 1.00 0.00 C ATOM 687 CD2 LEU A 43 29.830 24.395 20.705 1.00 0.00 C ATOM 0 H LEU A 43 30.606 20.438 22.257 1.00 0.00 H new ATOM 0 HA LEU A 43 29.650 22.989 23.330 1.00 0.00 H new ATOM 0 HB2 LEU A 43 28.282 21.278 21.194 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.733 22.832 21.789 1.00 0.00 H new ATOM 0 HG LEU A 43 30.350 22.438 20.373 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.247 23.275 18.308 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.615 21.705 18.857 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.681 23.192 19.147 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.362 24.786 19.838 1.00 0.00 H new ATOM 0 HD22 LEU A 43 28.953 25.011 20.901 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.488 24.414 21.574 1.00 0.00 H new ATOM 699 N ILE A 44 28.068 21.650 24.784 1.00 0.00 N ATOM 700 CA ILE A 44 27.319 20.999 25.844 1.00 0.00 C ATOM 701 C ILE A 44 25.996 21.763 25.901 1.00 0.00 C ATOM 702 O ILE A 44 25.960 22.969 25.693 1.00 0.00 O ATOM 703 CB ILE A 44 28.238 21.059 27.061 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.556 20.284 26.998 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.533 20.665 28.362 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.757 21.140 27.401 1.00 0.00 C ATOM 0 H ILE A 44 28.188 22.645 24.972 1.00 0.00 H new ATOM 0 HA ILE A 44 27.050 19.949 25.733 1.00 0.00 H new ATOM 0 HB ILE A 44 28.503 22.116 27.046 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.495 19.416 27.655 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.705 19.908 25.986 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.238 20.727 29.191 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.699 21.343 28.543 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.160 19.644 28.279 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.667 20.543 27.339 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.837 21.994 26.728 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.625 21.494 28.423 1.00 0.00 H new ATOM 718 N PHE A 45 24.928 21.086 26.307 1.00 0.00 N ATOM 719 CA PHE A 45 23.656 21.637 26.723 1.00 0.00 C ATOM 720 C PHE A 45 24.003 22.287 28.068 1.00 0.00 C ATOM 721 O PHE A 45 24.015 23.511 28.221 1.00 0.00 O ATOM 722 CB PHE A 45 22.518 20.620 26.671 1.00 0.00 C ATOM 723 CG PHE A 45 21.077 21.081 26.620 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.763 22.381 27.020 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.080 20.238 26.116 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.432 22.810 27.006 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.758 20.690 26.115 1.00 0.00 C ATOM 728 CZ PHE A 45 18.399 21.929 26.659 1.00 0.00 C ATOM 0 H PHE A 45 24.935 20.067 26.355 1.00 0.00 H new ATOM 0 HA PHE A 45 23.224 22.384 26.057 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.686 19.993 25.795 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.620 19.978 27.546 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.546 23.053 27.339 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.328 19.258 25.736 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.198 23.832 27.266 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.991 20.065 25.682 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.363 22.196 26.806 1.00 0.00 H new ATOM 738 N ALA A 46 24.026 21.482 29.125 1.00 0.00 N ATOM 739 CA ALA A 46 24.455 21.874 30.454 1.00 0.00 C ATOM 740 C ALA A 46 25.522 20.900 30.935 1.00 0.00 C ATOM 741 O ALA A 46 26.640 21.326 31.236 1.00 0.00 O ATOM 742 CB ALA A 46 23.298 21.814 31.448 1.00 0.00 C ATOM 0 H ALA A 46 23.735 20.506 29.073 1.00 0.00 H new ATOM 0 HA ALA A 46 24.834 22.894 30.399 1.00 0.00 H new ATOM 0 HB1 ALA A 46 23.650 22.113 32.435 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.506 22.490 31.125 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.910 20.796 31.494 1.00 0.00 H new ATOM 748 N GLY A 47 25.279 19.590 30.914 1.00 0.00 N ATOM 749 CA GLY A 47 26.171 18.579 31.432 1.00 0.00 C ATOM 750 C GLY A 47 26.373 17.576 30.302 1.00 0.00 C ATOM 751 O GLY A 47 27.432 16.971 30.206 1.00 0.00 O ATOM 0 H GLY A 47 24.423 19.200 30.520 1.00 0.00 H new ATOM 0 HA2 GLY A 47 27.121 19.017 31.739 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.744 18.096 32.311 1.00 0.00 H new ATOM 755 N LYS A 48 25.356 17.414 29.455 1.00 0.00 N ATOM 756 CA LYS A 48 25.316 16.452 28.368 1.00 0.00 C ATOM 757 C LYS A 48 26.065 17.146 27.241 1.00 0.00 C ATOM 758 O LYS A 48 25.585 18.096 26.624 1.00 0.00 O ATOM 759 CB LYS A 48 23.850 16.243 27.969 1.00 0.00 C ATOM 760 CG LYS A 48 23.652 15.123 26.941 1.00 0.00 C ATOM 761 CD LYS A 48 22.252 14.487 26.928 1.00 0.00 C ATOM 762 CE LYS A 48 22.297 13.063 26.379 1.00 0.00 C ATOM 763 NZ LYS A 48 20.996 12.445 26.110 1.00 0.00 N ATOM 0 H LYS A 48 24.506 17.975 29.515 1.00 0.00 H new ATOM 0 HA LYS A 48 25.746 15.482 28.617 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.268 16.014 28.861 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.456 17.174 27.561 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.862 15.521 25.948 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.387 14.341 27.133 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.845 14.477 27.939 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.580 15.093 26.320 1.00 0.00 H new ATOM 0 HE2 LYS A 48 22.875 13.068 25.455 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.837 12.436 27.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.138 11.483 25.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.444 12.401 26.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.481 13.012 25.407 1.00 0.00 H new ATOM 777 N GLN A 49 27.247 16.617 26.941 1.00 0.00 N ATOM 778 CA GLN A 49 27.951 16.802 25.684 1.00 0.00 C ATOM 779 C GLN A 49 27.132 16.280 24.507 1.00 0.00 C ATOM 780 O GLN A 49 26.720 15.124 24.594 1.00 0.00 O ATOM 781 CB GLN A 49 29.308 16.096 25.770 1.00 0.00 C ATOM 782 CG GLN A 49 30.116 15.822 24.508 1.00 0.00 C ATOM 783 CD GLN A 49 30.690 17.096 23.913 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.665 17.707 24.358 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.155 17.491 22.761 1.00 0.00 N ATOM 0 H GLN A 49 27.758 16.025 27.595 1.00 0.00 H new ATOM 0 HA GLN A 49 28.106 17.867 25.512 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.938 16.689 26.434 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.142 15.137 26.261 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.928 15.132 24.740 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.481 15.331 23.770 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.349 16.998 22.378 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.551 18.287 22.261 1.00 0.00 H new ATOM 794 N LEU A 50 26.917 17.092 23.466 1.00 0.00 N ATOM 795 CA LEU A 50 26.152 16.801 22.273 1.00 0.00 C ATOM 796 C LEU A 50 26.897 15.871 21.309 1.00 0.00 C ATOM 797 O LEU A 50 28.115 15.712 21.270 1.00 0.00 O ATOM 798 CB LEU A 50 25.749 18.094 21.584 1.00 0.00 C ATOM 799 CG LEU A 50 25.010 19.080 22.486 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.828 20.442 21.807 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.570 18.728 22.869 1.00 0.00 C ATOM 0 H LEU A 50 27.306 18.035 23.445 1.00 0.00 H new ATOM 0 HA LEU A 50 25.253 16.267 22.582 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.644 18.578 21.192 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.115 17.855 20.730 1.00 0.00 H new ATOM 0 HG LEU A 50 25.655 19.065 23.365 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.298 21.116 22.480 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.805 20.862 21.567 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.252 20.317 20.890 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.163 19.510 23.510 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.963 18.646 21.967 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.557 17.778 23.403 1.00 0.00 H new ATOM 813 N GLU A 51 26.101 15.112 20.550 1.00 0.00 N ATOM 814 CA GLU A 51 26.531 14.222 19.488 1.00 0.00 C ATOM 815 C GLU A 51 26.048 14.752 18.141 1.00 0.00 C ATOM 816 O GLU A 51 24.901 15.180 18.056 1.00 0.00 O ATOM 817 CB GLU A 51 25.915 12.833 19.656 1.00 0.00 C ATOM 818 CG GLU A 51 26.570 12.133 20.839 1.00 0.00 C ATOM 819 CD GLU A 51 27.955 11.530 20.680 1.00 0.00 C ATOM 820 OE1 GLU A 51 28.206 10.978 19.588 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.844 11.677 21.546 1.00 0.00 O ATOM 0 H GLU A 51 25.088 15.108 20.673 1.00 0.00 H new ATOM 0 HA GLU A 51 27.619 14.166 19.532 1.00 0.00 H new ATOM 0 HB2 GLU A 51 24.840 12.916 19.817 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.057 12.247 18.748 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.619 12.852 21.657 1.00 0.00 H new ATOM 0 HG3 GLU A 51 25.901 11.334 21.157 1.00 0.00 H new ATOM 828 N ASP A 52 26.901 14.530 17.144 1.00 0.00 N ATOM 829 CA ASP A 52 26.631 15.133 15.856 1.00 0.00 C ATOM 830 C ASP A 52 25.417 14.568 15.121 1.00 0.00 C ATOM 831 O ASP A 52 25.045 13.439 15.425 1.00 0.00 O ATOM 832 CB ASP A 52 27.930 14.966 15.075 1.00 0.00 C ATOM 833 CG ASP A 52 28.827 16.186 15.203 1.00 0.00 C ATOM 834 OD1 ASP A 52 28.626 17.142 14.437 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.755 16.224 16.049 1.00 0.00 O ATOM 0 H ASP A 52 27.747 13.962 17.202 1.00 0.00 H new ATOM 0 HA ASP A 52 26.347 16.178 15.977 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.461 14.085 15.437 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.702 14.791 14.024 1.00 0.00 H new ATOM 840 N GLY A 53 24.795 15.361 14.250 1.00 0.00 N ATOM 841 CA GLY A 53 23.770 15.001 13.282 1.00 0.00 C ATOM 842 C GLY A 53 22.346 15.290 13.745 1.00 0.00 C ATOM 843 O GLY A 53 21.446 14.825 13.048 1.00 0.00 O ATOM 0 H GLY A 53 25.017 16.355 14.203 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.956 15.542 12.354 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.858 13.939 13.054 1.00 0.00 H new ATOM 847 N ARG A 54 22.189 16.057 14.817 1.00 0.00 N ATOM 848 CA ARG A 54 20.903 16.153 15.476 1.00 0.00 C ATOM 849 C ARG A 54 20.513 17.631 15.570 1.00 0.00 C ATOM 850 O ARG A 54 21.322 18.557 15.683 1.00 0.00 O ATOM 851 CB ARG A 54 20.856 15.409 16.808 1.00 0.00 C ATOM 852 CG ARG A 54 20.728 13.892 16.678 1.00 0.00 C ATOM 853 CD ARG A 54 21.041 13.160 17.981 1.00 0.00 C ATOM 854 NE ARG A 54 21.252 11.751 17.649 1.00 0.00 N ATOM 855 CZ ARG A 54 22.324 10.952 17.524 1.00 0.00 C ATOM 856 NH1 ARG A 54 23.536 11.447 17.793 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.169 9.710 17.057 1.00 0.00 N ATOM 0 H ARG A 54 22.931 16.614 15.241 1.00 0.00 H new ATOM 0 HA ARG A 54 20.150 15.639 14.878 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.761 15.638 17.371 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.015 15.784 17.391 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.715 13.643 16.360 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.403 13.540 15.897 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.928 13.580 18.454 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.220 13.269 18.690 1.00 0.00 H new ATOM 0 HE ARG A 54 20.377 11.258 17.470 1.00 0.00 H new ATOM 0 HH11 ARG A 54 23.636 12.418 18.088 1.00 0.00 H new ATOM 0 HH12 ARG A 54 24.361 10.854 17.703 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.241 9.375 16.798 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.979 9.097 16.959 1.00 0.00 H new ATOM 871 N THR A 55 19.197 17.869 15.586 1.00 0.00 N ATOM 872 CA THR A 55 18.602 19.181 15.614 1.00 0.00 C ATOM 873 C THR A 55 18.336 19.625 17.050 1.00 0.00 C ATOM 874 O THR A 55 18.520 18.901 18.028 1.00 0.00 O ATOM 875 CB THR A 55 17.377 19.185 14.702 1.00 0.00 C ATOM 876 OG1 THR A 55 16.442 18.308 15.291 1.00 0.00 O ATOM 877 CG2 THR A 55 17.601 18.517 13.342 1.00 0.00 C ATOM 0 H THR A 55 18.506 17.119 15.579 1.00 0.00 H new ATOM 0 HA THR A 55 19.287 19.931 15.220 1.00 0.00 H new ATOM 0 HB THR A 55 17.095 20.231 14.577 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.632 18.276 14.741 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.682 18.564 12.758 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.397 19.036 12.808 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.884 17.475 13.491 1.00 0.00 H new ATOM 885 N LEU A 56 17.886 20.878 17.106 1.00 0.00 N ATOM 886 CA LEU A 56 17.462 21.451 18.370 1.00 0.00 C ATOM 887 C LEU A 56 16.167 20.814 18.874 1.00 0.00 C ATOM 888 O LEU A 56 15.941 20.588 20.057 1.00 0.00 O ATOM 889 CB LEU A 56 17.362 22.977 18.257 1.00 0.00 C ATOM 890 CG LEU A 56 18.583 23.757 17.751 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.314 25.266 17.731 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.819 23.515 18.619 1.00 0.00 C ATOM 0 H LEU A 56 17.808 21.502 16.303 1.00 0.00 H new ATOM 0 HA LEU A 56 18.219 21.227 19.121 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.526 23.206 17.596 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.106 23.366 19.242 1.00 0.00 H new ATOM 0 HG LEU A 56 18.769 23.394 16.740 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.199 25.789 17.368 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.472 25.477 17.072 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.080 25.607 18.739 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.659 24.087 18.224 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.613 23.832 19.641 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.067 22.454 18.611 1.00 0.00 H new ATOM 904 N SER A 57 15.354 20.342 17.931 1.00 0.00 N ATOM 905 CA SER A 57 14.157 19.584 18.239 1.00 0.00 C ATOM 906 C SER A 57 14.415 18.166 18.761 1.00 0.00 C ATOM 907 O SER A 57 13.724 17.739 19.696 1.00 0.00 O ATOM 908 CB SER A 57 13.362 19.565 16.937 1.00 0.00 C ATOM 909 OG SER A 57 11.991 19.235 16.930 1.00 0.00 O ATOM 0 H SER A 57 15.512 20.478 16.933 1.00 0.00 H new ATOM 0 HA SER A 57 13.620 20.055 19.063 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.455 20.555 16.491 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.863 18.866 16.267 1.00 0.00 H new ATOM 0 HG SER A 57 11.649 19.276 16.012 1.00 0.00 H new ATOM 915 N ASP A 58 15.417 17.485 18.227 1.00 0.00 N ATOM 916 CA ASP A 58 15.804 16.150 18.640 1.00 0.00 C ATOM 917 C ASP A 58 16.302 16.082 20.083 1.00 0.00 C ATOM 918 O ASP A 58 15.932 15.181 20.826 1.00 0.00 O ATOM 919 CB ASP A 58 16.857 15.563 17.690 1.00 0.00 C ATOM 920 CG ASP A 58 16.556 15.570 16.199 1.00 0.00 C ATOM 921 OD1 ASP A 58 15.395 15.223 15.879 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.451 15.784 15.361 1.00 0.00 O ATOM 0 H ASP A 58 15.997 17.857 17.475 1.00 0.00 H new ATOM 0 HA ASP A 58 14.896 15.549 18.591 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.788 16.108 17.845 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.038 14.531 17.989 1.00 0.00 H new ATOM 927 N TYR A 59 17.105 17.081 20.445 1.00 0.00 N ATOM 928 CA TYR A 59 17.690 17.195 21.771 1.00 0.00 C ATOM 929 C TYR A 59 16.785 17.935 22.764 1.00 0.00 C ATOM 930 O TYR A 59 17.116 18.200 23.908 1.00 0.00 O ATOM 931 CB TYR A 59 18.997 17.991 21.701 1.00 0.00 C ATOM 932 CG TYR A 59 20.146 17.046 21.461 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.392 16.038 22.410 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.955 17.184 20.326 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.465 15.148 22.245 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.976 16.243 20.139 1.00 0.00 C ATOM 937 CZ TYR A 59 22.278 15.278 21.105 1.00 0.00 C ATOM 938 OH TYR A 59 23.250 14.374 20.819 1.00 0.00 O ATOM 0 H TYR A 59 17.368 17.840 19.816 1.00 0.00 H new ATOM 0 HA TYR A 59 17.844 16.172 22.115 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.944 18.728 20.900 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.151 18.540 22.630 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.750 15.948 23.274 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.797 17.987 19.621 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.662 14.380 22.978 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.546 16.263 19.222 1.00 0.00 H new ATOM 0 HH TYR A 59 22.839 13.526 20.551 1.00 0.00 H new ATOM 948 N ASN A 60 15.587 18.281 22.295 1.00 0.00 N ATOM 949 CA ASN A 60 14.571 18.830 23.173 1.00 0.00 C ATOM 950 C ASN A 60 14.744 20.294 23.589 1.00 0.00 C ATOM 951 O ASN A 60 14.359 20.697 24.684 1.00 0.00 O ATOM 952 CB ASN A 60 14.201 17.893 24.322 1.00 0.00 C ATOM 953 CG ASN A 60 13.818 16.506 23.815 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.723 16.422 23.253 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.586 15.431 23.944 1.00 0.00 N ATOM 0 H ASN A 60 15.304 18.190 21.319 1.00 0.00 H new ATOM 0 HA ASN A 60 13.693 18.885 22.530 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.043 17.810 25.010 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.370 18.317 24.885 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.271 14.532 23.578 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.491 15.504 24.409 1.00 0.00 H new ATOM 962 N ILE A 61 15.425 21.047 22.722 1.00 0.00 N ATOM 963 CA ILE A 61 15.888 22.400 22.958 1.00 0.00 C ATOM 964 C ILE A 61 14.845 23.279 22.260 1.00 0.00 C ATOM 965 O ILE A 61 14.817 23.534 21.068 1.00 0.00 O ATOM 966 CB ILE A 61 17.275 22.607 22.352 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.298 21.650 22.952 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.778 24.053 22.266 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.486 21.457 21.997 1.00 0.00 C ATOM 0 H ILE A 61 15.676 20.705 21.794 1.00 0.00 H new ATOM 0 HA ILE A 61 15.984 22.634 24.018 1.00 0.00 H new ATOM 0 HB ILE A 61 17.144 22.350 21.301 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.652 22.040 23.907 1.00 0.00 H new ATOM 0 HG13 ILE A 61 17.828 20.688 23.155 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.772 24.067 21.819 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.095 24.640 21.651 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.825 24.482 23.267 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.205 20.770 22.444 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.130 21.045 21.052 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.967 22.418 21.816 1.00 0.00 H new ATOM 981 N GLN A 62 14.049 23.932 23.110 1.00 0.00 N ATOM 982 CA GLN A 62 13.193 25.044 22.748 1.00 0.00 C ATOM 983 C GLN A 62 13.784 26.443 22.935 1.00 0.00 C ATOM 984 O GLN A 62 14.787 26.601 23.631 1.00 0.00 O ATOM 985 CB GLN A 62 11.886 24.817 23.494 1.00 0.00 C ATOM 986 CG GLN A 62 11.050 23.635 22.987 1.00 0.00 C ATOM 987 CD GLN A 62 10.484 23.768 21.590 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.024 24.425 20.699 1.00 0.00 O ATOM 989 NE2 GLN A 62 9.350 23.133 21.278 1.00 0.00 N ATOM 0 H GLN A 62 13.987 23.687 24.098 1.00 0.00 H new ATOM 0 HA GLN A 62 13.045 25.047 21.668 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.109 24.659 24.549 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.284 25.724 23.428 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.668 22.738 23.022 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.222 23.479 23.679 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.867 22.576 21.983 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.968 23.205 20.335 1.00 0.00 H new ATOM 998 N LYS A 63 13.120 27.413 22.319 1.00 0.00 N ATOM 999 CA LYS A 63 13.264 28.834 22.576 1.00 0.00 C ATOM 1000 C LYS A 63 13.633 29.263 24.002 1.00 0.00 C ATOM 1001 O LYS A 63 12.998 28.806 24.948 1.00 0.00 O ATOM 1002 CB LYS A 63 12.231 29.657 21.810 1.00 0.00 C ATOM 1003 CG LYS A 63 10.848 29.699 22.475 1.00 0.00 C ATOM 1004 CD LYS A 63 10.003 30.756 21.758 1.00 0.00 C ATOM 1005 CE LYS A 63 8.764 31.074 22.593 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.739 31.864 21.888 1.00 0.00 N ATOM 0 H LYS A 63 12.433 27.216 21.591 1.00 0.00 H new ATOM 0 HA LYS A 63 14.217 29.120 22.130 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.602 30.676 21.702 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.127 29.247 20.805 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.367 28.723 22.414 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.943 29.942 23.533 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.590 31.661 21.601 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.707 30.393 20.774 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.317 30.138 22.928 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.073 31.617 23.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.934 32.035 22.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.145 32.774 21.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.413 31.341 21.050 1.00 0.00 H new ATOM 1020 N GLU A 64 14.712 30.038 24.065 1.00 0.00 N ATOM 1021 CA GLU A 64 15.326 30.686 25.201 1.00 0.00 C ATOM 1022 C GLU A 64 16.358 29.825 25.923 1.00 0.00 C ATOM 1023 O GLU A 64 17.008 30.238 26.889 1.00 0.00 O ATOM 1024 CB GLU A 64 14.337 31.350 26.163 1.00 0.00 C ATOM 1025 CG GLU A 64 14.694 32.678 26.825 1.00 0.00 C ATOM 1026 CD GLU A 64 14.803 33.874 25.889 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.408 33.763 24.714 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.128 34.969 26.403 1.00 0.00 O ATOM 0 H GLU A 64 15.233 30.246 23.213 1.00 0.00 H new ATOM 0 HA GLU A 64 15.886 31.508 24.754 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.405 31.499 25.618 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.130 30.636 26.960 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.941 32.900 27.582 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.644 32.560 27.346 1.00 0.00 H new ATOM 1035 N SER A 65 16.651 28.611 25.471 1.00 0.00 N ATOM 1036 CA SER A 65 17.653 27.717 26.017 1.00 0.00 C ATOM 1037 C SER A 65 19.074 28.280 25.939 1.00 0.00 C ATOM 1038 O SER A 65 19.432 28.928 24.952 1.00 0.00 O ATOM 1039 CB SER A 65 17.608 26.371 25.292 1.00 0.00 C ATOM 1040 OG SER A 65 16.433 25.642 25.590 1.00 0.00 O ATOM 0 H SER A 65 16.167 28.206 24.670 1.00 0.00 H new ATOM 0 HA SER A 65 17.410 27.595 27.072 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.667 26.538 24.216 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.480 25.780 25.571 1.00 0.00 H new ATOM 0 HG SER A 65 15.701 25.953 25.018 1.00 0.00 H new ATOM 1046 N THR A 66 19.825 28.016 26.997 1.00 0.00 N ATOM 1047 CA THR A 66 21.248 28.257 27.086 1.00 0.00 C ATOM 1048 C THR A 66 21.981 26.996 26.619 1.00 0.00 C ATOM 1049 O THR A 66 21.526 25.914 26.984 1.00 0.00 O ATOM 1050 CB THR A 66 21.682 28.692 28.495 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.202 30.009 28.649 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.197 28.754 28.656 1.00 0.00 C ATOM 0 H THR A 66 19.439 27.611 27.850 1.00 0.00 H new ATOM 0 HA THR A 66 21.511 29.092 26.436 1.00 0.00 H new ATOM 0 HB THR A 66 21.298 27.976 29.222 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.447 30.345 29.536 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.443 29.067 29.671 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.624 27.769 28.467 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.609 29.471 27.946 1.00 0.00 H new ATOM 1060 N LEU A 67 23.049 27.128 25.827 1.00 0.00 N ATOM 1061 CA LEU A 67 23.990 26.055 25.601 1.00 0.00 C ATOM 1062 C LEU A 67 25.351 26.576 26.096 1.00 0.00 C ATOM 1063 O LEU A 67 25.441 27.770 26.360 1.00 0.00 O ATOM 1064 CB LEU A 67 24.126 25.772 24.109 1.00 0.00 C ATOM 1065 CG LEU A 67 22.857 25.269 23.416 1.00 0.00 C ATOM 1066 CD1 LEU A 67 23.133 25.142 21.914 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.477 23.910 23.997 1.00 0.00 C ATOM 0 H LEU A 67 23.276 27.989 25.329 1.00 0.00 H new ATOM 0 HA LEU A 67 23.663 25.147 26.108 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.453 26.685 23.612 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.914 25.032 23.967 1.00 0.00 H new ATOM 0 HG LEU A 67 22.035 25.967 23.575 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.236 24.784 21.408 1.00 0.00 H new ATOM 0 HD12 LEU A 67 23.412 26.116 21.512 1.00 0.00 H new ATOM 0 HD13 LEU A 67 23.947 24.435 21.752 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.574 23.545 23.508 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.290 23.203 23.831 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.295 24.010 25.067 1.00 0.00 H new ATOM 1079 N HIS A 68 26.343 25.695 26.119 1.00 0.00 N ATOM 1080 CA HIS A 68 27.612 25.905 26.787 1.00 0.00 C ATOM 1081 C HIS A 68 28.757 25.444 25.896 1.00 0.00 C ATOM 1082 O HIS A 68 28.788 24.287 25.486 1.00 0.00 O ATOM 1083 CB HIS A 68 27.649 25.146 28.110 1.00 0.00 C ATOM 1084 CG HIS A 68 28.852 25.380 28.973 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.444 26.632 29.147 1.00 0.00 N ATOM 1086 CD2 HIS A 68 29.472 24.537 29.862 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.374 26.489 30.100 1.00 0.00 C ATOM 1088 NE2 HIS A 68 30.390 25.247 30.614 1.00 0.00 N ATOM 0 H HIS A 68 26.280 24.788 25.657 1.00 0.00 H new ATOM 0 HA HIS A 68 27.724 26.970 26.989 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.760 25.411 28.682 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.584 24.079 27.895 1.00 0.00 H new ATOM 0 HD2 HIS A 68 29.273 23.480 29.959 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.035 27.281 30.419 1.00 0.00 H new ATOM 0 HE2 HIS A 68 30.956 24.903 31.390 1.00 0.00 H new ATOM 1096 N LEU A 69 29.537 26.417 25.416 1.00 0.00 N ATOM 1097 CA LEU A 69 30.696 26.260 24.566 1.00 0.00 C ATOM 1098 C LEU A 69 31.980 26.291 25.409 1.00 0.00 C ATOM 1099 O LEU A 69 32.378 27.254 26.069 1.00 0.00 O ATOM 1100 CB LEU A 69 30.727 27.345 23.497 1.00 0.00 C ATOM 1101 CG LEU A 69 31.513 27.127 22.212 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.759 27.575 20.958 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.870 27.838 22.214 1.00 0.00 C ATOM 0 H LEU A 69 29.354 27.397 25.632 1.00 0.00 H new ATOM 0 HA LEU A 69 30.633 25.293 24.066 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.695 27.551 23.214 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.116 28.250 23.965 1.00 0.00 H new ATOM 0 HG LEU A 69 31.661 26.048 22.181 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.375 27.392 20.078 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.829 27.013 20.873 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.535 28.639 21.029 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.383 27.645 21.272 1.00 0.00 H new ATOM 0 HD22 LEU A 69 32.718 28.911 22.332 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.475 27.464 23.040 1.00 0.00 H new ATOM 1115 N VAL A 70 32.822 25.273 25.260 1.00 0.00 N ATOM 1116 CA VAL A 70 34.166 25.132 25.768 1.00 0.00 C ATOM 1117 C VAL A 70 35.061 24.846 24.557 1.00 0.00 C ATOM 1118 O VAL A 70 34.861 23.792 23.958 1.00 0.00 O ATOM 1119 CB VAL A 70 34.325 24.142 26.923 1.00 0.00 C ATOM 1120 CG1 VAL A 70 35.626 24.217 27.730 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.162 24.350 27.894 1.00 0.00 C ATOM 0 H VAL A 70 32.544 24.449 24.726 1.00 0.00 H new ATOM 0 HA VAL A 70 34.472 26.058 26.255 1.00 0.00 H new ATOM 0 HB VAL A 70 34.343 23.163 26.445 1.00 0.00 H new ATOM 0 HG11 VAL A 70 35.610 23.463 28.517 1.00 0.00 H new ATOM 0 HG12 VAL A 70 36.474 24.035 27.070 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.720 25.206 28.178 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.255 23.653 28.727 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.182 25.372 28.272 1.00 0.00 H new ATOM 0 HG23 VAL A 70 32.219 24.173 27.376 1.00 0.00 H new ATOM 1131 N LEU A 71 36.091 25.633 24.252 1.00 0.00 N ATOM 1132 CA LEU A 71 37.059 25.519 23.175 1.00 0.00 C ATOM 1133 C LEU A 71 38.007 24.338 23.393 1.00 0.00 C ATOM 1134 O LEU A 71 38.414 24.040 24.512 1.00 0.00 O ATOM 1135 CB LEU A 71 37.753 26.867 23.054 1.00 0.00 C ATOM 1136 CG LEU A 71 36.843 28.065 22.736 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.570 29.377 23.030 1.00 0.00 C ATOM 1138 CD2 LEU A 71 36.499 27.969 21.251 1.00 0.00 C ATOM 0 H LEU A 71 36.284 26.457 24.821 1.00 0.00 H new ATOM 0 HA LEU A 71 36.575 25.291 22.225 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.275 27.070 23.989 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.511 26.795 22.275 1.00 0.00 H new ATOM 0 HG LEU A 71 35.942 28.047 23.349 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.913 30.216 22.800 1.00 0.00 H new ATOM 0 HD12 LEU A 71 37.847 29.411 24.084 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.469 29.441 22.416 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.851 28.801 20.973 1.00 0.00 H new ATOM 0 HD22 LEU A 71 37.415 28.010 20.662 1.00 0.00 H new ATOM 0 HD23 LEU A 71 35.984 27.028 21.057 1.00 0.00 H new