USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 57 SER OG : rot 85:sc= 1.24 USER MOD Set 1.2: A 62 GLN : amide:sc= 0.817 K(o=2.1,f=-2.6) USER MOD Set 2.1: A 22 THR OG1 : rot -69:sc= 1.47 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.3 K(o=2.8,f=-3.1!) USER MOD Set 3.1: A 7 THR OG1 : rot -70:sc= 1.38 USER MOD Set 3.2: A 9 THR OG1 : rot 37:sc= 0.254 USER MOD Single : A 1 MET CE :methyl -149:sc= 0 (180deg=-0.345) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.26 (180deg=1.23) USER MOD Single : A 2 GLN : amide:sc= -2.17! K(o=-2.2!,f=-0.32) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -124:sc= 1.04 (180deg=-1.03!) 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 180:sc= 0.0601 USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 1.22 (180deg=1.07) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= 1.1 (180deg=0.978) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= 1.04 (180deg=0.32) USER MOD Single : A 40 GLN : amide:sc= 1.04 K(o=1,f=-0.59) USER MOD Single : A 41 GLN : amide:sc= 1.05 K(o=1,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0784 X(o=-0.078,f=-0.36) USER MOD Single : A 55 THR OG1 : rot -61:sc= 0.534 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.302 USER MOD Single : A 60 ASN : amide:sc=-0.00474 X(o=-0.0047,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 25:sc= 0.0494 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=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.511 31.720 16.271 1.00 0.00 N ATOM 2 CA MET A 1 13.795 31.536 17.701 1.00 0.00 C ATOM 3 C MET A 1 15.115 32.272 17.955 1.00 0.00 C ATOM 4 O MET A 1 16.017 32.189 17.123 1.00 0.00 O ATOM 5 CB MET A 1 14.024 30.088 18.113 1.00 0.00 C ATOM 6 CG MET A 1 13.450 29.689 19.480 1.00 0.00 C ATOM 7 SD MET A 1 14.405 28.393 20.296 1.00 0.00 S ATOM 8 CE MET A 1 13.997 26.966 19.268 1.00 0.00 C ATOM 0 H1 MET A 1 12.595 31.284 16.040 1.00 0.00 H new ATOM 0 H2 MET A 1 13.476 32.736 16.052 1.00 0.00 H new ATOM 0 H3 MET A 1 14.260 31.270 15.708 1.00 0.00 H new ATOM 0 HA MET A 1 12.936 31.899 18.265 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.589 29.439 17.353 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.097 29.896 18.119 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.416 30.568 20.124 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.423 29.349 19.351 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.015 26.062 19.877 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.002 27.097 18.842 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.727 26.876 18.464 1.00 0.00 H new ATOM 20 N GLN A 2 15.276 32.824 19.151 1.00 0.00 N ATOM 21 CA GLN A 2 16.578 33.332 19.550 1.00 0.00 C ATOM 22 C GLN A 2 17.068 32.409 20.670 1.00 0.00 C ATOM 23 O GLN A 2 16.258 32.036 21.507 1.00 0.00 O ATOM 24 CB GLN A 2 16.472 34.782 20.027 1.00 0.00 C ATOM 25 CG GLN A 2 16.438 35.781 18.874 1.00 0.00 C ATOM 26 CD GLN A 2 15.016 36.259 18.588 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.830 37.079 17.694 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.986 35.712 19.222 1.00 0.00 N ATOM 0 H GLN A 2 14.538 32.929 19.847 1.00 0.00 H new ATOM 0 HA GLN A 2 17.279 33.337 18.715 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.570 34.897 20.629 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.319 35.010 20.675 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.069 36.637 19.114 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.854 35.319 17.979 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.147 35.031 19.964 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.033 35.973 18.967 1.00 0.00 H new ATOM 37 N ILE A 3 18.375 32.152 20.738 1.00 0.00 N ATOM 38 CA ILE A 3 19.146 31.504 21.776 1.00 0.00 C ATOM 39 C ILE A 3 20.432 32.209 22.215 1.00 0.00 C ATOM 40 O ILE A 3 20.920 33.058 21.475 1.00 0.00 O ATOM 41 CB ILE A 3 19.260 29.989 21.588 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.052 29.476 20.389 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.922 29.259 21.698 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.406 27.988 20.371 1.00 0.00 C ATOM 0 H ILE A 3 18.983 32.431 19.968 1.00 0.00 H new ATOM 0 HA ILE A 3 18.532 31.634 22.667 1.00 0.00 H new ATOM 0 HB ILE A 3 19.884 29.734 22.444 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.482 29.699 19.487 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.980 30.045 20.328 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.078 28.190 21.554 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.492 29.434 22.684 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.240 29.632 20.934 1.00 0.00 H new ATOM 0 HD11 ILE A 3 20.968 27.759 19.465 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.012 27.748 21.245 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.491 27.396 20.390 1.00 0.00 H new ATOM 56 N PHE A 4 21.017 31.906 23.374 1.00 0.00 N ATOM 57 CA PHE A 4 22.246 32.468 23.895 1.00 0.00 C ATOM 58 C PHE A 4 23.363 31.429 23.823 1.00 0.00 C ATOM 59 O PHE A 4 23.170 30.360 24.405 1.00 0.00 O ATOM 60 CB PHE A 4 22.078 33.051 25.301 1.00 0.00 C ATOM 61 CG PHE A 4 20.954 34.059 25.366 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.817 35.072 24.405 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.936 33.850 26.297 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.760 35.985 24.480 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.848 34.719 26.378 1.00 0.00 C ATOM 66 CZ PHE A 4 18.802 35.794 25.483 1.00 0.00 C ATOM 0 H PHE A 4 20.613 31.217 24.008 1.00 0.00 H new ATOM 0 HA PHE A 4 22.525 33.314 23.266 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.882 32.244 26.007 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.009 33.526 25.610 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.534 35.147 23.601 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.991 33.003 26.965 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.685 36.810 23.787 1.00 0.00 H new ATOM 0 HE2 PHE A 4 18.066 34.567 27.108 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.994 36.506 25.570 1.00 0.00 H new ATOM 76 N VAL A 5 24.549 31.737 23.313 1.00 0.00 N ATOM 77 CA VAL A 5 25.824 31.073 23.501 1.00 0.00 C ATOM 78 C VAL A 5 26.581 31.906 24.543 1.00 0.00 C ATOM 79 O VAL A 5 26.874 33.075 24.297 1.00 0.00 O ATOM 80 CB VAL A 5 26.549 30.888 22.174 1.00 0.00 C ATOM 81 CG1 VAL A 5 28.052 30.586 22.159 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.674 30.087 21.206 1.00 0.00 C ATOM 0 H VAL A 5 24.646 32.542 22.694 1.00 0.00 H new ATOM 0 HA VAL A 5 25.720 30.054 23.873 1.00 0.00 H new ATOM 0 HB VAL A 5 26.662 31.901 21.787 1.00 0.00 H new ATOM 0 HG11 VAL A 5 28.393 30.487 21.128 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.592 31.400 22.643 1.00 0.00 H new ATOM 0 HG13 VAL A 5 28.242 29.656 22.695 1.00 0.00 H new ATOM 0 HG21 VAL A 5 26.200 29.960 20.260 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.458 29.109 21.635 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.740 30.622 21.032 1.00 0.00 H new ATOM 92 N LYS A 6 26.865 31.246 25.664 1.00 0.00 N ATOM 93 CA LYS A 6 27.466 31.788 26.865 1.00 0.00 C ATOM 94 C LYS A 6 28.831 31.105 26.900 1.00 0.00 C ATOM 95 O LYS A 6 29.003 29.893 26.871 1.00 0.00 O ATOM 96 CB LYS A 6 26.550 31.172 27.925 1.00 0.00 C ATOM 97 CG LYS A 6 27.073 31.600 29.300 1.00 0.00 C ATOM 98 CD LYS A 6 26.048 31.313 30.408 1.00 0.00 C ATOM 99 CE LYS A 6 26.317 32.025 31.729 1.00 0.00 C ATOM 100 NZ LYS A 6 25.199 31.976 32.680 1.00 0.00 N ATOM 0 H LYS A 6 26.665 30.250 25.756 1.00 0.00 H new ATOM 0 HA LYS A 6 27.571 32.868 26.965 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.523 31.509 27.785 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.544 30.085 27.840 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.002 31.073 29.517 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.307 32.665 29.286 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.059 31.600 30.052 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.022 30.239 30.589 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.196 31.580 32.196 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.559 33.068 31.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.461 32.481 33.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.363 32.427 32.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 24.980 30.985 32.908 1.00 0.00 H new ATOM 114 N THR A 7 29.800 32.019 26.932 1.00 0.00 N ATOM 115 CA THR A 7 31.220 31.725 27.082 1.00 0.00 C ATOM 116 C THR A 7 31.538 31.690 28.572 1.00 0.00 C ATOM 117 O THR A 7 30.876 32.384 29.349 1.00 0.00 O ATOM 118 CB THR A 7 32.010 32.839 26.391 1.00 0.00 C ATOM 119 OG1 THR A 7 31.940 34.086 27.033 1.00 0.00 O ATOM 120 CG2 THR A 7 31.703 32.886 24.896 1.00 0.00 C ATOM 0 H THR A 7 29.609 33.018 26.851 1.00 0.00 H new ATOM 0 HA THR A 7 31.483 30.767 26.634 1.00 0.00 H new ATOM 0 HB THR A 7 33.064 32.577 26.488 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.037 34.454 26.935 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.278 33.687 24.431 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.972 31.934 24.439 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.639 33.071 24.749 1.00 0.00 H new ATOM 128 N LEU A 8 32.555 30.890 28.877 1.00 0.00 N ATOM 129 CA LEU A 8 33.162 30.796 30.194 1.00 0.00 C ATOM 130 C LEU A 8 33.887 32.095 30.524 1.00 0.00 C ATOM 131 O LEU A 8 34.083 32.472 31.679 1.00 0.00 O ATOM 132 CB LEU A 8 34.165 29.646 30.348 1.00 0.00 C ATOM 133 CG LEU A 8 33.693 28.395 31.088 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.863 27.443 31.337 1.00 0.00 C ATOM 135 CD2 LEU A 8 32.904 28.700 32.358 1.00 0.00 C ATOM 0 H LEU A 8 32.990 30.272 28.192 1.00 0.00 H new ATOM 0 HA LEU A 8 32.336 30.602 30.878 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.489 29.346 29.351 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.043 30.032 30.865 1.00 0.00 H new ATOM 0 HG LEU A 8 32.981 27.889 30.435 1.00 0.00 H new ATOM 0 HD11 LEU A 8 34.506 26.559 31.865 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.299 27.145 30.383 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.619 27.946 31.940 1.00 0.00 H new ATOM 0 HD21 LEU A 8 32.601 27.766 32.831 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.528 29.270 33.046 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.018 29.283 32.105 1.00 0.00 H new ATOM 147 N THR A 9 34.303 32.870 29.522 1.00 0.00 N ATOM 148 CA THR A 9 35.154 34.037 29.644 1.00 0.00 C ATOM 149 C THR A 9 34.347 35.265 30.062 1.00 0.00 C ATOM 150 O THR A 9 34.917 36.194 30.638 1.00 0.00 O ATOM 151 CB THR A 9 35.775 34.340 28.280 1.00 0.00 C ATOM 152 OG1 THR A 9 34.880 34.059 27.231 1.00 0.00 O ATOM 153 CG2 THR A 9 37.053 33.513 28.155 1.00 0.00 C ATOM 0 H THR A 9 34.037 32.684 28.555 1.00 0.00 H new ATOM 0 HA THR A 9 35.914 33.826 30.397 1.00 0.00 H new ATOM 0 HB THR A 9 36.007 35.402 28.207 1.00 0.00 H new ATOM 0 HG1 THR A 9 33.970 34.298 27.505 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.520 33.708 27.190 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.743 33.786 28.954 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.810 32.453 28.233 1.00 0.00 H new ATOM 161 N GLY A 10 33.037 35.132 29.852 1.00 0.00 N ATOM 162 CA GLY A 10 31.949 35.828 30.512 1.00 0.00 C ATOM 163 C GLY A 10 30.955 36.505 29.579 1.00 0.00 C ATOM 164 O GLY A 10 29.895 36.885 30.083 1.00 0.00 O ATOM 0 H GLY A 10 32.687 34.476 29.154 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.410 35.117 31.138 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.371 36.582 31.177 1.00 0.00 H new ATOM 168 N LYS A 11 31.218 36.517 28.282 1.00 0.00 N ATOM 169 CA LYS A 11 30.427 37.190 27.273 1.00 0.00 C ATOM 170 C LYS A 11 29.227 36.340 26.853 1.00 0.00 C ATOM 171 O LYS A 11 29.308 35.113 26.784 1.00 0.00 O ATOM 172 CB LYS A 11 31.233 37.765 26.102 1.00 0.00 C ATOM 173 CG LYS A 11 31.717 36.722 25.093 1.00 0.00 C ATOM 174 CD LYS A 11 32.178 37.387 23.798 1.00 0.00 C ATOM 175 CE LYS A 11 32.613 36.429 22.690 1.00 0.00 C ATOM 176 NZ LYS A 11 33.712 36.872 21.823 1.00 0.00 N ATOM 0 H LYS A 11 32.027 36.035 27.890 1.00 0.00 H new ATOM 0 HA LYS A 11 30.028 38.087 27.747 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.619 38.499 25.580 1.00 0.00 H new ATOM 0 HB3 LYS A 11 32.098 38.297 26.499 1.00 0.00 H new ATOM 0 HG2 LYS A 11 32.537 36.148 25.523 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.913 36.018 24.878 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.367 38.009 23.420 1.00 0.00 H new ATOM 0 HD3 LYS A 11 33.010 38.053 24.027 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.904 35.486 23.152 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.747 36.222 22.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.402 36.849 20.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.986 37.842 22.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 34.528 36.239 21.946 1.00 0.00 H new ATOM 190 N THR A 12 28.077 36.943 26.579 1.00 0.00 N ATOM 191 CA THR A 12 26.960 36.338 25.877 1.00 0.00 C ATOM 192 C THR A 12 27.049 36.762 24.410 1.00 0.00 C ATOM 193 O THR A 12 27.236 37.905 24.003 1.00 0.00 O ATOM 194 CB THR A 12 25.655 36.695 26.599 1.00 0.00 C ATOM 195 OG1 THR A 12 25.505 38.083 26.824 1.00 0.00 O ATOM 196 CG2 THR A 12 25.276 35.921 27.854 1.00 0.00 C ATOM 0 H THR A 12 27.893 37.908 26.853 1.00 0.00 H new ATOM 0 HA THR A 12 26.987 35.248 25.882 1.00 0.00 H new ATOM 0 HB THR A 12 24.937 36.347 25.857 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.656 38.250 27.285 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.328 36.296 28.240 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.176 34.863 27.613 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.052 36.049 28.609 1.00 0.00 H new ATOM 204 N ILE A 13 26.666 35.769 23.619 1.00 0.00 N ATOM 205 CA ILE A 13 26.483 35.862 22.188 1.00 0.00 C ATOM 206 C ILE A 13 25.029 35.431 21.994 1.00 0.00 C ATOM 207 O ILE A 13 24.555 34.491 22.643 1.00 0.00 O ATOM 208 CB ILE A 13 27.406 34.954 21.359 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.909 35.009 21.639 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.180 34.970 19.843 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.860 34.066 20.898 1.00 0.00 C ATOM 0 H ILE A 13 26.467 34.836 23.980 1.00 0.00 H new ATOM 0 HA ILE A 13 26.723 36.867 21.841 1.00 0.00 H new ATOM 0 HB ILE A 13 27.055 34.002 21.758 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.239 36.028 21.436 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.047 34.835 22.706 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.887 34.293 19.363 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.162 34.647 19.623 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.330 35.981 19.463 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.883 34.250 21.226 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.590 33.033 21.115 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.785 34.243 19.825 1.00 0.00 H new ATOM 223 N THR A 14 24.344 36.068 21.054 1.00 0.00 N ATOM 224 CA THR A 14 23.014 35.776 20.567 1.00 0.00 C ATOM 225 C THR A 14 23.074 35.005 19.243 1.00 0.00 C ATOM 226 O THR A 14 23.792 35.445 18.355 1.00 0.00 O ATOM 227 CB THR A 14 22.274 37.082 20.311 1.00 0.00 C ATOM 228 OG1 THR A 14 21.970 37.572 21.602 1.00 0.00 O ATOM 229 CG2 THR A 14 20.929 36.868 19.618 1.00 0.00 C ATOM 0 H THR A 14 24.746 36.873 20.574 1.00 0.00 H new ATOM 0 HA THR A 14 22.503 35.174 21.318 1.00 0.00 H new ATOM 0 HB THR A 14 22.883 37.733 19.684 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.489 38.422 21.524 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.444 37.831 19.460 1.00 0.00 H new ATOM 0 HG22 THR A 14 21.089 36.380 18.657 1.00 0.00 H new ATOM 0 HG23 THR A 14 20.294 36.240 20.243 1.00 0.00 H new ATOM 237 N LEU A 15 22.338 33.916 19.039 1.00 0.00 N ATOM 238 CA LEU A 15 22.125 33.170 17.815 1.00 0.00 C ATOM 239 C LEU A 15 20.633 33.144 17.457 1.00 0.00 C ATOM 240 O LEU A 15 19.815 32.626 18.212 1.00 0.00 O ATOM 241 CB LEU A 15 22.750 31.788 18.017 1.00 0.00 C ATOM 242 CG LEU A 15 23.576 31.256 16.846 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.868 32.058 16.668 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.971 29.783 17.032 1.00 0.00 C ATOM 0 H LEU A 15 21.824 33.495 19.813 1.00 0.00 H new ATOM 0 HA LEU A 15 22.606 33.638 16.956 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.387 31.823 18.901 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.952 31.076 18.228 1.00 0.00 H new ATOM 0 HG LEU A 15 22.938 31.355 15.968 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.433 31.655 15.828 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.624 33.103 16.474 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.468 31.988 17.575 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.556 29.452 16.174 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.566 29.678 17.939 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.072 29.173 17.115 1.00 0.00 H new ATOM 256 N GLU A 16 20.299 33.419 16.202 1.00 0.00 N ATOM 257 CA GLU A 16 18.992 33.260 15.612 1.00 0.00 C ATOM 258 C GLU A 16 18.911 31.891 14.941 1.00 0.00 C ATOM 259 O GLU A 16 19.625 31.612 13.977 1.00 0.00 O ATOM 260 CB GLU A 16 18.807 34.403 14.610 1.00 0.00 C ATOM 261 CG GLU A 16 18.454 35.684 15.349 1.00 0.00 C ATOM 262 CD GLU A 16 18.454 36.861 14.386 1.00 0.00 C ATOM 263 OE1 GLU A 16 17.353 37.119 13.854 1.00 0.00 O ATOM 264 OE2 GLU A 16 19.498 37.542 14.392 1.00 0.00 O ATOM 0 H GLU A 16 20.981 33.781 15.535 1.00 0.00 H new ATOM 0 HA GLU A 16 18.197 33.303 16.356 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.721 34.545 14.034 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.018 34.153 13.900 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.474 35.586 15.815 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.172 35.860 16.150 1.00 0.00 H new ATOM 271 N VAL A 17 18.084 30.990 15.468 1.00 0.00 N ATOM 272 CA VAL A 17 17.882 29.617 15.055 1.00 0.00 C ATOM 273 C VAL A 17 16.387 29.354 14.858 1.00 0.00 C ATOM 274 O VAL A 17 15.506 30.162 15.162 1.00 0.00 O ATOM 275 CB VAL A 17 18.586 28.686 16.028 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.080 28.959 16.226 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.862 28.618 17.369 1.00 0.00 C ATOM 0 H VAL A 17 17.491 31.230 16.262 1.00 0.00 H new ATOM 0 HA VAL A 17 18.337 29.418 14.085 1.00 0.00 H new ATOM 0 HB VAL A 17 18.537 27.709 15.546 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.490 28.242 16.938 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.598 28.860 15.272 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.217 29.970 16.610 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.396 27.942 18.037 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.824 29.613 17.813 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.847 28.250 17.216 1.00 0.00 H new ATOM 287 N GLU A 18 16.107 28.140 14.388 1.00 0.00 N ATOM 288 CA GLU A 18 14.827 27.466 14.501 1.00 0.00 C ATOM 289 C GLU A 18 15.185 26.063 14.999 1.00 0.00 C ATOM 290 O GLU A 18 16.354 25.698 14.887 1.00 0.00 O ATOM 291 CB GLU A 18 14.196 27.463 13.113 1.00 0.00 C ATOM 292 CG GLU A 18 13.612 28.777 12.589 1.00 0.00 C ATOM 293 CD GLU A 18 12.539 29.426 13.447 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.777 28.708 14.131 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.540 30.679 13.418 1.00 0.00 O ATOM 0 H GLU A 18 16.802 27.579 13.896 1.00 0.00 H new ATOM 0 HA GLU A 18 14.110 27.930 15.178 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.951 27.126 12.403 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.400 26.718 13.109 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.428 29.489 12.465 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.195 28.595 11.599 1.00 0.00 H new ATOM 302 N PRO A 19 14.317 25.272 15.600 1.00 0.00 N ATOM 303 CA PRO A 19 14.691 24.027 16.248 1.00 0.00 C ATOM 304 C PRO A 19 15.001 22.884 15.280 1.00 0.00 C ATOM 305 O PRO A 19 15.496 21.868 15.760 1.00 0.00 O ATOM 306 CB PRO A 19 13.482 23.781 17.158 1.00 0.00 C ATOM 307 CG PRO A 19 12.324 24.305 16.315 1.00 0.00 C ATOM 308 CD PRO A 19 12.887 25.540 15.622 1.00 0.00 C ATOM 0 HA PRO A 19 15.634 24.084 16.791 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.363 22.725 17.399 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.570 24.316 18.104 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.991 23.561 15.592 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.463 24.555 16.935 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.482 25.660 14.617 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.655 26.453 16.170 1.00 0.00 H new ATOM 316 N SER A 20 14.721 23.095 14.002 1.00 0.00 N ATOM 317 CA SER A 20 15.119 22.319 12.842 1.00 0.00 C ATOM 318 C SER A 20 16.609 22.377 12.519 1.00 0.00 C ATOM 319 O SER A 20 17.187 21.453 11.963 1.00 0.00 O ATOM 320 CB SER A 20 14.215 22.879 11.743 1.00 0.00 C ATOM 321 OG SER A 20 14.208 24.286 11.572 1.00 0.00 O ATOM 0 H SER A 20 14.152 23.896 13.727 1.00 0.00 H new ATOM 0 HA SER A 20 14.992 21.247 12.992 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.509 22.424 10.797 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.194 22.557 11.947 1.00 0.00 H new ATOM 0 HG SER A 20 13.597 24.524 10.843 1.00 0.00 H new ATOM 327 N ASP A 21 17.325 23.468 12.790 1.00 0.00 N ATOM 328 CA ASP A 21 18.758 23.664 12.656 1.00 0.00 C ATOM 329 C ASP A 21 19.598 22.617 13.383 1.00 0.00 C ATOM 330 O ASP A 21 19.279 22.293 14.520 1.00 0.00 O ATOM 331 CB ASP A 21 19.195 24.990 13.271 1.00 0.00 C ATOM 332 CG ASP A 21 19.231 26.206 12.354 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.104 26.654 12.037 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.333 26.610 11.924 1.00 0.00 O ATOM 0 H ASP A 21 16.870 24.311 13.141 1.00 0.00 H new ATOM 0 HA ASP A 21 18.924 23.610 11.580 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.526 25.214 14.102 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.191 24.855 13.692 1.00 0.00 H new ATOM 339 N THR A 22 20.607 22.022 12.754 1.00 0.00 N ATOM 340 CA THR A 22 21.580 21.113 13.327 1.00 0.00 C ATOM 341 C THR A 22 22.589 21.832 14.221 1.00 0.00 C ATOM 342 O THR A 22 22.912 23.007 14.048 1.00 0.00 O ATOM 343 CB THR A 22 22.254 20.233 12.280 1.00 0.00 C ATOM 344 OG1 THR A 22 23.127 20.900 11.382 1.00 0.00 O ATOM 345 CG2 THR A 22 21.279 19.456 11.390 1.00 0.00 C ATOM 0 H THR A 22 20.773 22.177 11.760 1.00 0.00 H new ATOM 0 HA THR A 22 21.020 20.437 13.973 1.00 0.00 H new ATOM 0 HB THR A 22 22.824 19.568 12.929 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.605 21.480 10.789 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.840 18.856 10.674 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.664 18.802 12.008 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.639 20.156 10.854 1.00 0.00 H new ATOM 353 N ILE A 23 23.181 21.060 15.116 1.00 0.00 N ATOM 354 CA ILE A 23 24.470 21.222 15.765 1.00 0.00 C ATOM 355 C ILE A 23 25.573 21.818 14.885 1.00 0.00 C ATOM 356 O ILE A 23 26.377 22.642 15.298 1.00 0.00 O ATOM 357 CB ILE A 23 24.757 19.911 16.504 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.031 19.773 17.835 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.249 19.730 16.805 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.519 19.555 17.786 1.00 0.00 C ATOM 0 H ILE A 23 22.718 20.211 15.441 1.00 0.00 H new ATOM 0 HA ILE A 23 24.443 22.019 16.508 1.00 0.00 H new ATOM 0 HB ILE A 23 24.394 19.151 15.813 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.475 18.938 18.377 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.224 20.672 18.420 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.403 18.787 17.329 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.810 19.721 15.871 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.597 20.553 17.429 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.130 19.474 18.801 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.046 20.398 17.283 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.301 18.637 17.239 1.00 0.00 H new ATOM 372 N GLU A 24 25.716 21.422 13.620 1.00 0.00 N ATOM 373 CA GLU A 24 26.500 21.909 12.505 1.00 0.00 C ATOM 374 C GLU A 24 26.029 23.205 11.855 1.00 0.00 C ATOM 375 O GLU A 24 26.876 24.048 11.548 1.00 0.00 O ATOM 376 CB GLU A 24 26.701 20.825 11.438 1.00 0.00 C ATOM 377 CG GLU A 24 27.923 21.060 10.551 1.00 0.00 C ATOM 378 CD GLU A 24 27.980 20.266 9.244 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.071 19.447 9.000 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.068 20.312 8.631 1.00 0.00 O ATOM 0 H GLU A 24 25.184 20.607 13.314 1.00 0.00 H new ATOM 0 HA GLU A 24 27.452 22.164 12.970 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.800 19.857 11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.811 20.775 10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.969 22.122 10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.816 20.827 11.131 1.00 0.00 H new ATOM 387 N ASN A 25 24.738 23.482 11.700 1.00 0.00 N ATOM 388 CA ASN A 25 24.291 24.822 11.367 1.00 0.00 C ATOM 389 C ASN A 25 24.647 25.812 12.486 1.00 0.00 C ATOM 390 O ASN A 25 24.954 26.973 12.232 1.00 0.00 O ATOM 391 CB ASN A 25 22.775 24.849 11.178 1.00 0.00 C ATOM 392 CG ASN A 25 22.222 24.046 10.012 1.00 0.00 C ATOM 393 OD1 ASN A 25 21.915 22.866 10.137 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.206 24.685 8.843 1.00 0.00 N ATOM 0 H ASN A 25 23.989 22.797 11.800 1.00 0.00 H new ATOM 0 HA ASN A 25 24.792 25.111 10.443 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.311 24.484 12.094 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.465 25.887 11.055 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.928 24.190 7.995 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.471 25.669 8.796 1.00 0.00 H new ATOM 401 N VAL A 26 24.615 25.510 13.775 1.00 0.00 N ATOM 402 CA VAL A 26 24.950 26.303 14.936 1.00 0.00 C ATOM 403 C VAL A 26 26.447 26.601 15.086 1.00 0.00 C ATOM 404 O VAL A 26 26.859 27.719 15.416 1.00 0.00 O ATOM 405 CB VAL A 26 24.277 25.599 16.111 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.715 25.995 17.530 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.756 25.591 15.979 1.00 0.00 C ATOM 0 H VAL A 26 24.313 24.579 14.062 1.00 0.00 H new ATOM 0 HA VAL A 26 24.571 27.322 14.856 1.00 0.00 H new ATOM 0 HB VAL A 26 24.662 24.584 16.016 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.152 25.413 18.260 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.780 25.796 17.651 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.524 27.057 17.687 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.319 25.080 16.837 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.389 26.617 15.942 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.473 25.071 15.064 1.00 0.00 H new ATOM 417 N LYS A 27 27.305 25.629 14.787 1.00 0.00 N ATOM 418 CA LYS A 27 28.733 25.775 14.645 1.00 0.00 C ATOM 419 C LYS A 27 29.180 26.734 13.538 1.00 0.00 C ATOM 420 O LYS A 27 30.089 27.522 13.789 1.00 0.00 O ATOM 421 CB LYS A 27 29.355 24.385 14.488 1.00 0.00 C ATOM 422 CG LYS A 27 29.418 23.664 15.830 1.00 0.00 C ATOM 423 CD LYS A 27 30.280 22.413 15.951 1.00 0.00 C ATOM 424 CE LYS A 27 29.620 21.191 15.291 1.00 0.00 C ATOM 425 NZ LYS A 27 30.419 19.964 15.407 1.00 0.00 N ATOM 0 H LYS A 27 26.996 24.670 14.631 1.00 0.00 H new ATOM 0 HA LYS A 27 29.098 26.254 15.554 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.769 23.797 13.782 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.358 24.476 14.072 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.769 24.380 16.573 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.400 23.391 16.106 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.250 22.595 15.488 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.464 22.201 17.004 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.644 21.025 15.746 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.448 21.405 14.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.199 19.330 14.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.430 20.205 15.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.194 19.487 16.303 1.00 0.00 H new ATOM 439 N ALA A 28 28.494 26.734 12.396 1.00 0.00 N ATOM 440 CA ALA A 28 28.611 27.577 11.228 1.00 0.00 C ATOM 441 C ALA A 28 28.136 28.979 11.620 1.00 0.00 C ATOM 442 O ALA A 28 28.862 29.968 11.472 1.00 0.00 O ATOM 443 CB ALA A 28 27.729 27.095 10.075 1.00 0.00 C ATOM 0 H ALA A 28 27.749 26.050 12.262 1.00 0.00 H new ATOM 0 HA ALA A 28 29.649 27.559 10.895 1.00 0.00 H new ATOM 0 HB1 ALA A 28 27.851 27.760 9.220 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.021 26.084 9.792 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.685 27.097 10.390 1.00 0.00 H new ATOM 449 N LYS A 29 26.932 29.141 12.160 1.00 0.00 N ATOM 450 CA LYS A 29 26.379 30.360 12.706 1.00 0.00 C ATOM 451 C LYS A 29 27.167 31.080 13.806 1.00 0.00 C ATOM 452 O LYS A 29 27.160 32.313 13.772 1.00 0.00 O ATOM 453 CB LYS A 29 24.928 30.077 13.119 1.00 0.00 C ATOM 454 CG LYS A 29 23.944 29.939 11.955 1.00 0.00 C ATOM 455 CD LYS A 29 22.546 29.499 12.366 1.00 0.00 C ATOM 456 CE LYS A 29 21.439 29.572 11.316 1.00 0.00 C ATOM 457 NZ LYS A 29 21.259 28.394 10.449 1.00 0.00 N ATOM 0 H LYS A 29 26.276 28.363 12.229 1.00 0.00 H new ATOM 0 HA LYS A 29 26.443 31.095 11.904 1.00 0.00 H new ATOM 0 HB2 LYS A 29 24.905 29.159 13.707 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.587 30.881 13.771 1.00 0.00 H new ATOM 0 HG2 LYS A 29 23.874 30.896 11.438 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.343 29.219 11.240 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.608 28.469 12.716 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.240 30.107 13.218 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.497 29.761 11.830 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.633 30.435 10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.849 28.691 9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.181 27.942 10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.620 27.716 10.912 1.00 0.00 H new ATOM 471 N ILE A 30 27.724 30.359 14.771 1.00 0.00 N ATOM 472 CA ILE A 30 28.672 30.874 15.737 1.00 0.00 C ATOM 473 C ILE A 30 29.964 31.329 15.055 1.00 0.00 C ATOM 474 O ILE A 30 30.496 32.387 15.383 1.00 0.00 O ATOM 475 CB ILE A 30 28.894 29.743 16.752 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.686 29.597 17.675 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.190 29.670 17.564 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.753 28.453 18.683 1.00 0.00 C ATOM 0 H ILE A 30 27.518 29.369 14.903 1.00 0.00 H new ATOM 0 HA ILE A 30 28.298 31.764 16.243 1.00 0.00 H new ATOM 0 HB ILE A 30 29.021 28.897 16.076 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.556 30.531 18.222 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.797 29.462 17.059 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.158 28.803 18.224 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.039 29.579 16.887 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.297 30.576 18.160 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.844 28.444 19.285 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.846 27.505 18.152 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.617 28.591 19.333 1.00 0.00 H new ATOM 490 N GLN A 31 30.523 30.579 14.115 1.00 0.00 N ATOM 491 CA GLN A 31 31.718 30.861 13.341 1.00 0.00 C ATOM 492 C GLN A 31 31.606 32.163 12.548 1.00 0.00 C ATOM 493 O GLN A 31 32.611 32.830 12.341 1.00 0.00 O ATOM 494 CB GLN A 31 32.068 29.663 12.463 1.00 0.00 C ATOM 495 CG GLN A 31 33.159 29.831 11.403 1.00 0.00 C ATOM 496 CD GLN A 31 33.493 28.534 10.697 1.00 0.00 C ATOM 497 OE1 GLN A 31 32.591 27.738 10.426 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.796 28.352 10.489 1.00 0.00 N ATOM 0 H GLN A 31 30.115 29.681 13.854 1.00 0.00 H new ATOM 0 HA GLN A 31 32.544 31.019 14.035 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.367 28.846 13.120 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.157 29.347 11.955 1.00 0.00 H new ATOM 0 HG2 GLN A 31 32.835 30.567 10.667 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.059 30.226 11.874 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.461 29.079 10.752 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.129 27.485 10.067 1.00 0.00 H new ATOM 507 N ASP A 32 30.438 32.572 12.066 1.00 0.00 N ATOM 508 CA ASP A 32 30.195 33.883 11.487 1.00 0.00 C ATOM 509 C ASP A 32 30.517 35.002 12.484 1.00 0.00 C ATOM 510 O ASP A 32 31.122 36.017 12.146 1.00 0.00 O ATOM 511 CB ASP A 32 28.834 33.868 10.803 1.00 0.00 C ATOM 512 CG ASP A 32 28.139 35.221 10.629 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.808 36.058 9.983 1.00 0.00 O ATOM 514 OD2 ASP A 32 26.945 35.439 10.884 1.00 0.00 O ATOM 0 H ASP A 32 29.608 31.979 12.069 1.00 0.00 H new ATOM 0 HA ASP A 32 30.888 34.127 10.682 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.953 33.417 9.818 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.173 33.216 11.374 1.00 0.00 H new ATOM 519 N LYS A 33 30.209 34.796 13.765 1.00 0.00 N ATOM 520 CA LYS A 33 30.222 35.748 14.849 1.00 0.00 C ATOM 521 C LYS A 33 31.639 35.747 15.422 1.00 0.00 C ATOM 522 O LYS A 33 32.229 36.828 15.455 1.00 0.00 O ATOM 523 CB LYS A 33 29.211 35.295 15.910 1.00 0.00 C ATOM 524 CG LYS A 33 27.794 35.162 15.363 1.00 0.00 C ATOM 525 CD LYS A 33 26.850 36.186 15.999 1.00 0.00 C ATOM 526 CE LYS A 33 25.395 36.103 15.531 1.00 0.00 C ATOM 527 NZ LYS A 33 24.618 37.126 16.239 1.00 0.00 N ATOM 0 H LYS A 33 29.920 33.872 14.087 1.00 0.00 H new ATOM 0 HA LYS A 33 29.950 36.751 14.518 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.528 34.336 16.320 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.211 36.010 16.733 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.806 35.299 14.282 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.422 34.155 15.553 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.876 36.058 17.081 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.227 37.186 15.787 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.334 36.259 14.454 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.988 35.112 15.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.861 37.478 15.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.199 36.712 17.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.242 37.914 16.505 1.00 0.00 H new ATOM 541 N GLU A 34 32.225 34.572 15.637 1.00 0.00 N ATOM 542 CA GLU A 34 33.516 34.413 16.280 1.00 0.00 C ATOM 543 C GLU A 34 34.791 33.940 15.577 1.00 0.00 C ATOM 544 O GLU A 34 35.918 34.125 16.032 1.00 0.00 O ATOM 545 CB GLU A 34 33.197 33.415 17.389 1.00 0.00 C ATOM 546 CG GLU A 34 32.346 33.947 18.542 1.00 0.00 C ATOM 547 CD GLU A 34 33.090 34.802 19.550 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.698 34.239 20.486 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.156 36.051 19.414 1.00 0.00 O ATOM 0 H GLU A 34 31.801 33.686 15.361 1.00 0.00 H new ATOM 0 HA GLU A 34 33.834 35.434 16.490 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.682 32.562 16.947 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.137 33.043 17.798 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.526 34.533 18.127 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.901 33.101 19.065 1.00 0.00 H new ATOM 556 N GLY A 35 34.592 33.331 14.415 1.00 0.00 N ATOM 557 CA GLY A 35 35.627 32.927 13.490 1.00 0.00 C ATOM 558 C GLY A 35 36.315 31.617 13.846 1.00 0.00 C ATOM 559 O GLY A 35 37.210 31.138 13.155 1.00 0.00 O ATOM 0 H GLY A 35 33.657 33.097 14.082 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.192 32.836 12.495 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.378 33.715 13.438 1.00 0.00 H new ATOM 563 N ILE A 36 35.948 30.997 14.965 1.00 0.00 N ATOM 564 CA ILE A 36 36.538 29.810 15.548 1.00 0.00 C ATOM 565 C ILE A 36 36.095 28.569 14.763 1.00 0.00 C ATOM 566 O ILE A 36 34.944 28.480 14.333 1.00 0.00 O ATOM 567 CB ILE A 36 36.027 29.633 16.971 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.417 30.879 17.751 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.562 28.371 17.644 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.886 30.920 19.194 1.00 0.00 C ATOM 0 H ILE A 36 35.170 31.344 15.526 1.00 0.00 H new ATOM 0 HA ILE A 36 37.622 29.921 15.527 1.00 0.00 H new ATOM 0 HB ILE A 36 34.944 29.508 16.949 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.504 30.952 17.775 1.00 0.00 H new ATOM 0 HG13 ILE A 36 36.051 31.756 17.217 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.162 28.301 18.656 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.256 27.496 17.071 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.650 28.415 17.686 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.211 31.842 19.675 1.00 0.00 H new ATOM 0 HD12 ILE A 36 34.797 30.882 19.182 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.273 30.065 19.749 1.00 0.00 H new ATOM 582 N PRO A 37 36.966 27.606 14.490 1.00 0.00 N ATOM 583 CA PRO A 37 36.690 26.374 13.777 1.00 0.00 C ATOM 584 C PRO A 37 35.702 25.416 14.428 1.00 0.00 C ATOM 585 O PRO A 37 35.904 25.058 15.581 1.00 0.00 O ATOM 586 CB PRO A 37 38.018 25.677 13.494 1.00 0.00 C ATOM 587 CG PRO A 37 39.145 26.522 14.112 1.00 0.00 C ATOM 588 CD PRO A 37 38.402 27.761 14.593 1.00 0.00 C ATOM 0 HA PRO A 37 36.177 26.669 12.862 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.019 24.673 13.919 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.169 25.569 12.420 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.639 26.001 14.932 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.915 26.769 13.381 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.671 27.966 15.629 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.717 28.623 14.005 1.00 0.00 H new ATOM 596 N PRO A 38 34.695 24.804 13.810 1.00 0.00 N ATOM 597 CA PRO A 38 33.753 23.788 14.258 1.00 0.00 C ATOM 598 C PRO A 38 34.450 22.692 15.051 1.00 0.00 C ATOM 599 O PRO A 38 33.976 22.456 16.163 1.00 0.00 O ATOM 600 CB PRO A 38 32.962 23.279 13.055 1.00 0.00 C ATOM 601 CG PRO A 38 33.184 24.335 11.976 1.00 0.00 C ATOM 602 CD PRO A 38 34.379 25.170 12.445 1.00 0.00 C ATOM 0 HA PRO A 38 33.038 24.221 14.958 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.317 22.301 12.732 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.904 23.171 13.293 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.387 23.871 11.011 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.298 24.957 11.850 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.239 24.995 11.798 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.145 26.233 12.383 1.00 0.00 H new ATOM 610 N ASP A 39 35.595 22.207 14.571 1.00 0.00 N ATOM 611 CA ASP A 39 36.627 21.336 15.114 1.00 0.00 C ATOM 612 C ASP A 39 36.920 21.602 16.589 1.00 0.00 C ATOM 613 O ASP A 39 37.032 20.636 17.349 1.00 0.00 O ATOM 614 CB ASP A 39 37.818 21.159 14.179 1.00 0.00 C ATOM 615 CG ASP A 39 39.053 20.681 14.935 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.234 19.480 15.246 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.832 21.604 15.237 1.00 0.00 O ATOM 0 H ASP A 39 35.858 22.469 13.621 1.00 0.00 H new ATOM 0 HA ASP A 39 36.220 20.325 15.146 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.566 20.440 13.399 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.037 22.105 13.683 1.00 0.00 H new ATOM 622 N GLN A 40 37.030 22.868 16.983 1.00 0.00 N ATOM 623 CA GLN A 40 37.469 23.335 18.285 1.00 0.00 C ATOM 624 C GLN A 40 36.240 23.626 19.148 1.00 0.00 C ATOM 625 O GLN A 40 36.406 23.662 20.369 1.00 0.00 O ATOM 626 CB GLN A 40 38.289 24.625 18.243 1.00 0.00 C ATOM 627 CG GLN A 40 39.590 24.486 17.451 1.00 0.00 C ATOM 628 CD GLN A 40 40.615 23.502 18.010 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.993 23.634 19.170 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.134 22.541 17.243 1.00 0.00 N ATOM 0 H GLN A 40 36.799 23.640 16.358 1.00 0.00 H new ATOM 0 HA GLN A 40 38.102 22.543 18.686 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.685 25.418 17.801 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.523 24.933 19.262 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.342 24.182 16.434 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.058 25.468 17.385 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.819 22.432 16.279 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.846 21.915 17.621 1.00 0.00 H new ATOM 639 N GLN A 41 35.092 23.936 18.556 1.00 0.00 N ATOM 640 CA GLN A 41 33.960 24.503 19.250 1.00 0.00 C ATOM 641 C GLN A 41 33.260 23.299 19.905 1.00 0.00 C ATOM 642 O GLN A 41 32.841 22.341 19.255 1.00 0.00 O ATOM 643 CB GLN A 41 32.976 25.089 18.235 1.00 0.00 C ATOM 644 CG GLN A 41 33.403 26.390 17.562 1.00 0.00 C ATOM 645 CD GLN A 41 32.342 26.863 16.585 1.00 0.00 C ATOM 646 OE1 GLN A 41 31.181 26.449 16.628 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.612 27.535 15.464 1.00 0.00 N ATOM 0 H GLN A 41 34.927 23.794 17.559 1.00 0.00 H new ATOM 0 HA GLN A 41 34.267 25.278 19.953 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.798 24.344 17.460 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.024 25.259 18.738 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.576 27.156 18.318 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.347 26.241 17.037 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.542 27.926 15.315 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.888 27.658 14.756 1.00 0.00 H new ATOM 656 N ARG A 42 33.324 23.265 21.234 1.00 0.00 N ATOM 657 CA ARG A 42 32.672 22.217 22.006 1.00 0.00 C ATOM 658 C ARG A 42 31.436 22.962 22.522 1.00 0.00 C ATOM 659 O ARG A 42 31.610 23.965 23.209 1.00 0.00 O ATOM 660 CB ARG A 42 33.634 21.812 23.120 1.00 0.00 C ATOM 661 CG ARG A 42 35.070 21.489 22.714 1.00 0.00 C ATOM 662 CD ARG A 42 35.898 20.531 23.564 1.00 0.00 C ATOM 663 NE ARG A 42 35.718 19.207 22.964 1.00 0.00 N ATOM 664 CZ ARG A 42 36.336 18.074 23.309 1.00 0.00 C ATOM 665 NH1 ARG A 42 37.307 18.131 24.228 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.020 16.895 22.748 1.00 0.00 N ATOM 0 H ARG A 42 33.823 23.954 21.797 1.00 0.00 H new ATOM 0 HA ARG A 42 32.407 21.298 21.482 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.663 22.619 23.852 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.220 20.939 23.624 1.00 0.00 H new ATOM 0 HG2 ARG A 42 35.039 21.083 21.703 1.00 0.00 H new ATOM 0 HG3 ARG A 42 35.614 22.432 22.663 1.00 0.00 H new ATOM 0 HD2 ARG A 42 36.949 20.819 23.567 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.563 20.539 24.601 1.00 0.00 H new ATOM 0 HE ARG A 42 35.047 19.143 22.199 1.00 0.00 H new ATOM 0 HH11 ARG A 42 37.560 19.025 24.648 1.00 0.00 H new ATOM 0 HH12 ARG A 42 37.794 17.280 24.509 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.290 16.848 22.037 1.00 0.00 H new ATOM 0 HH22 ARG A 42 36.510 16.047 23.033 1.00 0.00 H new ATOM 680 N LEU A 43 30.275 22.376 22.230 1.00 0.00 N ATOM 681 CA LEU A 43 28.981 22.829 22.693 1.00 0.00 C ATOM 682 C LEU A 43 28.357 21.689 23.494 1.00 0.00 C ATOM 683 O LEU A 43 28.180 20.590 22.974 1.00 0.00 O ATOM 684 CB LEU A 43 28.040 23.207 21.551 1.00 0.00 C ATOM 685 CG LEU A 43 28.368 24.435 20.703 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.832 24.231 19.288 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.854 25.757 21.273 1.00 0.00 C ATOM 0 H LEU A 43 30.217 21.544 21.643 1.00 0.00 H new ATOM 0 HA LEU A 43 29.125 23.727 23.293 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.975 22.350 20.880 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.047 23.355 21.976 1.00 0.00 H new ATOM 0 HG LEU A 43 29.454 24.522 20.702 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.065 25.106 18.681 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.296 23.349 18.847 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.752 24.092 19.325 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.132 26.573 20.606 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.769 25.717 21.364 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.294 25.925 22.256 1.00 0.00 H new ATOM 699 N ILE A 44 28.093 22.014 24.757 1.00 0.00 N ATOM 700 CA ILE A 44 27.712 21.095 25.815 1.00 0.00 C ATOM 701 C ILE A 44 26.369 21.600 26.323 1.00 0.00 C ATOM 702 O ILE A 44 26.016 22.778 26.199 1.00 0.00 O ATOM 703 CB ILE A 44 28.781 20.925 26.905 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.916 19.950 26.594 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.437 20.709 28.373 1.00 0.00 C ATOM 706 CD1 ILE A 44 31.290 20.182 27.224 1.00 0.00 C ATOM 0 H ILE A 44 28.143 22.979 25.083 1.00 0.00 H new ATOM 0 HA ILE A 44 27.621 20.076 25.439 1.00 0.00 H new ATOM 0 HB ILE A 44 29.062 21.975 26.825 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.584 18.954 26.888 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.049 19.935 25.512 1.00 0.00 H new ATOM 0 HG21 ILE A 44 29.356 20.616 28.952 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.861 21.558 28.740 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.848 19.798 28.478 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.976 19.400 26.899 1.00 0.00 H new ATOM 0 HD12 ILE A 44 31.674 21.154 26.913 1.00 0.00 H new ATOM 0 HD13 ILE A 44 31.201 20.158 28.310 1.00 0.00 H new ATOM 718 N PHE A 45 25.585 20.679 26.881 1.00 0.00 N ATOM 719 CA PHE A 45 24.476 20.959 27.769 1.00 0.00 C ATOM 720 C PHE A 45 24.385 19.893 28.865 1.00 0.00 C ATOM 721 O PHE A 45 24.437 18.724 28.469 1.00 0.00 O ATOM 722 CB PHE A 45 23.237 21.301 26.953 1.00 0.00 C ATOM 723 CG PHE A 45 22.106 21.771 27.836 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.112 23.048 28.431 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.067 20.849 28.034 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.955 23.529 29.054 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.966 21.327 28.748 1.00 0.00 C ATOM 728 CZ PHE A 45 19.879 22.650 29.194 1.00 0.00 C ATOM 0 H PHE A 45 25.716 19.681 26.716 1.00 0.00 H new ATOM 0 HA PHE A 45 24.622 21.864 28.359 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.481 22.077 26.228 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.919 20.425 26.388 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.006 23.653 28.406 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.115 19.837 27.659 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.896 24.545 29.414 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.152 20.651 28.964 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.965 22.997 29.654 1.00 0.00 H new ATOM 738 N ALA A 46 24.326 20.276 30.133 1.00 0.00 N ATOM 739 CA ALA A 46 23.994 19.455 31.281 1.00 0.00 C ATOM 740 C ALA A 46 25.089 18.438 31.616 1.00 0.00 C ATOM 741 O ALA A 46 24.853 17.333 32.107 1.00 0.00 O ATOM 742 CB ALA A 46 22.572 18.902 31.145 1.00 0.00 C ATOM 0 H ALA A 46 24.524 21.240 30.402 1.00 0.00 H new ATOM 0 HA ALA A 46 23.973 20.076 32.177 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.336 18.287 32.014 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.865 19.729 31.082 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.502 18.296 30.242 1.00 0.00 H new ATOM 748 N GLY A 47 26.324 18.623 31.178 1.00 0.00 N ATOM 749 CA GLY A 47 27.409 17.694 31.426 1.00 0.00 C ATOM 750 C GLY A 47 27.637 16.764 30.238 1.00 0.00 C ATOM 751 O GLY A 47 28.509 15.908 30.346 1.00 0.00 O ATOM 0 H GLY A 47 26.603 19.438 30.631 1.00 0.00 H new ATOM 0 HA2 GLY A 47 28.323 18.249 31.634 1.00 0.00 H new ATOM 0 HA3 GLY A 47 27.186 17.102 32.314 1.00 0.00 H new ATOM 755 N LYS A 48 26.727 16.818 29.267 1.00 0.00 N ATOM 756 CA LYS A 48 26.839 16.116 27.998 1.00 0.00 C ATOM 757 C LYS A 48 27.255 16.979 26.807 1.00 0.00 C ATOM 758 O LYS A 48 26.970 18.166 26.663 1.00 0.00 O ATOM 759 CB LYS A 48 25.474 15.550 27.615 1.00 0.00 C ATOM 760 CG LYS A 48 25.343 14.168 28.263 1.00 0.00 C ATOM 761 CD LYS A 48 24.086 13.376 27.917 1.00 0.00 C ATOM 762 CE LYS A 48 24.332 11.885 28.150 1.00 0.00 C ATOM 763 NZ LYS A 48 23.310 11.006 27.570 1.00 0.00 N ATOM 0 H LYS A 48 25.871 17.366 29.347 1.00 0.00 H new ATOM 0 HA LYS A 48 27.612 15.368 28.172 1.00 0.00 H new ATOM 0 HB2 LYS A 48 24.677 16.210 27.957 1.00 0.00 H new ATOM 0 HB3 LYS A 48 25.382 15.474 26.532 1.00 0.00 H new ATOM 0 HG2 LYS A 48 26.211 13.573 27.979 1.00 0.00 H new ATOM 0 HG3 LYS A 48 25.382 14.292 29.345 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.251 13.716 28.529 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.810 13.550 26.877 1.00 0.00 H new ATOM 0 HE2 LYS A 48 25.303 11.619 27.732 1.00 0.00 H new ATOM 0 HE3 LYS A 48 24.386 11.701 29.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.550 10.014 27.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.383 11.230 27.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.272 11.150 26.541 1.00 0.00 H new ATOM 777 N GLN A 49 27.844 16.307 25.822 1.00 0.00 N ATOM 778 CA GLN A 49 28.249 16.825 24.534 1.00 0.00 C ATOM 779 C GLN A 49 27.009 16.472 23.699 1.00 0.00 C ATOM 780 O GLN A 49 26.527 15.347 23.598 1.00 0.00 O ATOM 781 CB GLN A 49 29.462 16.046 24.028 1.00 0.00 C ATOM 782 CG GLN A 49 30.780 16.201 24.789 1.00 0.00 C ATOM 783 CD GLN A 49 31.615 17.465 24.602 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.283 18.324 23.796 1.00 0.00 O ATOM 785 NE2 GLN A 49 32.793 17.549 25.219 1.00 0.00 N ATOM 0 H GLN A 49 28.063 15.315 25.918 1.00 0.00 H new ATOM 0 HA GLN A 49 28.530 17.878 24.519 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.201 14.988 24.023 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.638 16.336 22.992 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.555 16.113 25.852 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.410 15.352 24.525 1.00 0.00 H new ATOM 0 HE21 GLN A 49 33.069 16.833 25.891 1.00 0.00 H new ATOM 0 HE22 GLN A 49 33.419 18.330 25.020 1.00 0.00 H new ATOM 794 N LEU A 50 26.532 17.490 22.993 1.00 0.00 N ATOM 795 CA LEU A 50 25.548 17.433 21.944 1.00 0.00 C ATOM 796 C LEU A 50 26.146 16.626 20.788 1.00 0.00 C ATOM 797 O LEU A 50 27.315 16.863 20.484 1.00 0.00 O ATOM 798 CB LEU A 50 25.028 18.764 21.410 1.00 0.00 C ATOM 799 CG LEU A 50 24.588 19.765 22.490 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.672 20.728 21.719 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.738 19.209 23.629 1.00 0.00 C ATOM 0 H LEU A 50 26.854 18.444 23.159 1.00 0.00 H new ATOM 0 HA LEU A 50 24.669 16.971 22.395 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.807 19.225 20.803 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.183 18.569 20.750 1.00 0.00 H new ATOM 0 HG LEU A 50 25.484 20.167 22.963 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.295 21.493 22.397 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.236 21.201 20.915 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.834 20.173 21.297 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.492 20.011 24.325 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.819 18.786 23.224 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.295 18.432 24.153 1.00 0.00 H new ATOM 813 N GLU A 51 25.381 15.697 20.237 1.00 0.00 N ATOM 814 CA GLU A 51 25.719 14.852 19.114 1.00 0.00 C ATOM 815 C GLU A 51 25.794 15.625 17.789 1.00 0.00 C ATOM 816 O GLU A 51 24.919 16.476 17.626 1.00 0.00 O ATOM 817 CB GLU A 51 24.765 13.656 19.095 1.00 0.00 C ATOM 818 CG GLU A 51 25.173 12.520 18.147 1.00 0.00 C ATOM 819 CD GLU A 51 24.526 11.202 18.553 1.00 0.00 C ATOM 820 OE1 GLU A 51 23.287 11.021 18.495 1.00 0.00 O ATOM 821 OE2 GLU A 51 25.380 10.340 18.822 1.00 0.00 O ATOM 0 H GLU A 51 24.444 15.504 20.591 1.00 0.00 H new ATOM 0 HA GLU A 51 26.732 14.468 19.237 1.00 0.00 H new ATOM 0 HB2 GLU A 51 24.687 13.256 20.106 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.772 14.006 18.813 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.882 12.772 17.127 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.258 12.412 18.151 1.00 0.00 H new ATOM 828 N ASP A 52 26.778 15.474 16.910 1.00 0.00 N ATOM 829 CA ASP A 52 26.692 16.031 15.574 1.00 0.00 C ATOM 830 C ASP A 52 26.130 14.976 14.628 1.00 0.00 C ATOM 831 O ASP A 52 26.421 13.784 14.616 1.00 0.00 O ATOM 832 CB ASP A 52 28.100 16.234 15.012 1.00 0.00 C ATOM 833 CG ASP A 52 28.309 17.472 14.140 1.00 0.00 C ATOM 834 OD1 ASP A 52 27.307 17.992 13.606 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.457 17.932 14.025 1.00 0.00 O ATOM 0 H ASP A 52 27.643 14.969 17.103 1.00 0.00 H new ATOM 0 HA ASP A 52 26.100 16.944 15.638 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.798 16.282 15.848 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.365 15.354 14.426 1.00 0.00 H new ATOM 840 N GLY A 53 25.162 15.411 13.832 1.00 0.00 N ATOM 841 CA GLY A 53 24.215 14.535 13.180 1.00 0.00 C ATOM 842 C GLY A 53 22.789 14.685 13.725 1.00 0.00 C ATOM 843 O GLY A 53 21.889 13.989 13.256 1.00 0.00 O ATOM 0 H GLY A 53 25.016 16.398 13.622 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.213 14.742 12.110 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.539 13.502 13.304 1.00 0.00 H new ATOM 847 N ARG A 54 22.493 15.659 14.582 1.00 0.00 N ATOM 848 CA ARG A 54 21.177 15.825 15.174 1.00 0.00 C ATOM 849 C ARG A 54 20.863 17.313 15.130 1.00 0.00 C ATOM 850 O ARG A 54 21.660 18.175 14.778 1.00 0.00 O ATOM 851 CB ARG A 54 21.354 15.338 16.609 1.00 0.00 C ATOM 852 CG ARG A 54 21.784 13.906 16.946 1.00 0.00 C ATOM 853 CD ARG A 54 20.749 12.884 16.471 1.00 0.00 C ATOM 854 NE ARG A 54 21.415 11.582 16.391 1.00 0.00 N ATOM 855 CZ ARG A 54 21.672 10.773 15.352 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.207 11.033 14.119 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.485 9.717 15.492 1.00 0.00 N ATOM 0 H ARG A 54 23.169 16.360 14.885 1.00 0.00 H new ATOM 0 HA ARG A 54 20.371 15.287 14.676 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.083 16.000 17.075 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.403 15.505 17.114 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.746 13.695 16.480 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.924 13.811 18.023 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.908 12.842 17.163 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.348 13.169 15.498 1.00 0.00 H new ATOM 0 HE ARG A 54 21.743 11.225 17.289 1.00 0.00 H new ATOM 0 HH11 ARG A 54 20.641 11.865 13.952 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.420 10.398 13.349 1.00 0.00 H new ATOM 0 HH21 ARG A 54 22.916 9.521 16.396 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.673 9.109 14.695 1.00 0.00 H new ATOM 871 N THR A 55 19.668 17.663 15.600 1.00 0.00 N ATOM 872 CA THR A 55 19.033 18.971 15.649 1.00 0.00 C ATOM 873 C THR A 55 18.905 19.505 17.072 1.00 0.00 C ATOM 874 O THR A 55 19.220 18.898 18.082 1.00 0.00 O ATOM 875 CB THR A 55 17.674 18.998 14.949 1.00 0.00 C ATOM 876 OG1 THR A 55 16.658 18.279 15.609 1.00 0.00 O ATOM 877 CG2 THR A 55 17.523 18.541 13.494 1.00 0.00 C ATOM 0 H THR A 55 19.055 16.953 16.000 1.00 0.00 H new ATOM 0 HA THR A 55 19.701 19.633 15.099 1.00 0.00 H new ATOM 0 HB THR A 55 17.583 20.084 14.979 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.915 17.336 15.675 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.481 18.639 13.188 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.149 19.160 12.851 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.831 17.499 13.406 1.00 0.00 H new ATOM 885 N LEU A 56 18.476 20.766 17.177 1.00 0.00 N ATOM 886 CA LEU A 56 18.047 21.412 18.396 1.00 0.00 C ATOM 887 C LEU A 56 16.831 20.663 18.961 1.00 0.00 C ATOM 888 O LEU A 56 16.816 20.392 20.154 1.00 0.00 O ATOM 889 CB LEU A 56 17.776 22.892 18.144 1.00 0.00 C ATOM 890 CG LEU A 56 19.089 23.610 17.815 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.899 24.705 16.774 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.872 24.232 18.986 1.00 0.00 C ATOM 0 H LEU A 56 18.420 21.384 16.368 1.00 0.00 H new ATOM 0 HA LEU A 56 18.835 21.371 19.148 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.071 23.007 17.320 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.315 23.342 19.023 1.00 0.00 H new ATOM 0 HG LEU A 56 19.690 22.779 17.445 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.856 25.186 16.573 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.512 24.269 15.853 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.193 25.446 17.150 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.778 24.706 18.607 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.252 24.979 19.482 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.141 23.452 19.699 1.00 0.00 H new ATOM 904 N SER A 57 15.857 20.357 18.106 1.00 0.00 N ATOM 905 CA SER A 57 14.712 19.550 18.486 1.00 0.00 C ATOM 906 C SER A 57 14.991 18.162 19.067 1.00 0.00 C ATOM 907 O SER A 57 14.293 17.730 19.993 1.00 0.00 O ATOM 908 CB SER A 57 13.772 19.541 17.288 1.00 0.00 C ATOM 909 OG SER A 57 12.481 18.969 17.378 1.00 0.00 O ATOM 0 H SER A 57 15.844 20.664 17.133 1.00 0.00 H new ATOM 0 HA SER A 57 14.251 20.015 19.357 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.641 20.578 16.978 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.292 19.029 16.478 1.00 0.00 H new ATOM 0 HG SER A 57 11.853 19.633 17.733 1.00 0.00 H new ATOM 915 N ASP A 58 16.066 17.515 18.641 1.00 0.00 N ATOM 916 CA ASP A 58 16.493 16.188 19.032 1.00 0.00 C ATOM 917 C ASP A 58 16.876 16.180 20.512 1.00 0.00 C ATOM 918 O ASP A 58 16.826 15.120 21.138 1.00 0.00 O ATOM 919 CB ASP A 58 17.754 15.695 18.312 1.00 0.00 C ATOM 920 CG ASP A 58 17.441 15.157 16.924 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.782 14.099 16.905 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.965 15.661 15.901 1.00 0.00 O ATOM 0 H ASP A 58 16.704 17.937 17.966 1.00 0.00 H new ATOM 0 HA ASP A 58 15.647 15.547 18.784 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.469 16.513 18.231 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.229 14.914 18.906 1.00 0.00 H new ATOM 927 N TYR A 59 17.349 17.307 21.019 1.00 0.00 N ATOM 928 CA TYR A 59 17.712 17.517 22.415 1.00 0.00 C ATOM 929 C TYR A 59 16.657 18.296 23.189 1.00 0.00 C ATOM 930 O TYR A 59 16.848 18.808 24.295 1.00 0.00 O ATOM 931 CB TYR A 59 19.012 18.321 22.449 1.00 0.00 C ATOM 932 CG TYR A 59 20.214 17.450 22.171 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.764 16.833 23.304 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.662 17.052 20.903 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.828 15.922 23.210 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.764 16.174 20.814 1.00 0.00 C ATOM 937 CZ TYR A 59 22.216 15.489 21.941 1.00 0.00 C ATOM 938 OH TYR A 59 23.139 14.485 21.847 1.00 0.00 O ATOM 0 H TYR A 59 17.498 18.137 20.446 1.00 0.00 H new ATOM 0 HA TYR A 59 17.812 16.538 22.883 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.964 19.122 21.711 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.123 18.793 23.425 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.357 17.065 24.277 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.172 17.411 20.010 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.333 15.566 24.096 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.261 16.032 19.866 1.00 0.00 H new ATOM 0 HH TYR A 59 22.808 13.793 21.237 1.00 0.00 H new ATOM 948 N ASN A 60 15.483 18.444 22.580 1.00 0.00 N ATOM 949 CA ASN A 60 14.273 18.995 23.154 1.00 0.00 C ATOM 950 C ASN A 60 14.200 20.525 23.103 1.00 0.00 C ATOM 951 O ASN A 60 13.261 21.094 23.646 1.00 0.00 O ATOM 952 CB ASN A 60 13.861 18.361 24.489 1.00 0.00 C ATOM 953 CG ASN A 60 12.427 17.855 24.586 1.00 0.00 C ATOM 954 OD1 ASN A 60 11.434 18.512 24.881 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.386 16.532 24.459 1.00 0.00 N ATOM 0 H ASN A 60 15.350 18.162 21.609 1.00 0.00 H new ATOM 0 HA ASN A 60 13.477 18.681 22.479 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.532 17.526 24.692 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.018 19.096 25.279 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.509 16.032 24.608 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.231 16.017 24.212 1.00 0.00 H new ATOM 962 N ILE A 61 15.179 21.223 22.535 1.00 0.00 N ATOM 963 CA ILE A 61 15.254 22.665 22.393 1.00 0.00 C ATOM 964 C ILE A 61 14.242 23.110 21.332 1.00 0.00 C ATOM 965 O ILE A 61 14.576 23.583 20.249 1.00 0.00 O ATOM 966 CB ILE A 61 16.715 23.061 22.196 1.00 0.00 C ATOM 967 CG1 ILE A 61 17.647 22.495 23.271 1.00 0.00 C ATOM 968 CG2 ILE A 61 16.850 24.584 22.218 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.169 22.699 23.258 1.00 0.00 C ATOM 0 H ILE A 61 15.995 20.759 22.136 1.00 0.00 H new ATOM 0 HA ILE A 61 14.952 23.213 23.286 1.00 0.00 H new ATOM 0 HB ILE A 61 17.011 22.643 21.234 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.292 22.887 24.224 1.00 0.00 H new ATOM 0 HG13 ILE A 61 17.481 21.418 23.287 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.895 24.859 22.077 1.00 0.00 H new ATOM 0 HG22 ILE A 61 16.250 25.014 21.416 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.501 24.966 23.177 1.00 0.00 H new ATOM 0 HD11 ILE A 61 19.610 22.204 24.123 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.585 22.273 22.345 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.394 23.765 23.297 1.00 0.00 H new ATOM 981 N GLN A 62 12.955 23.050 21.674 1.00 0.00 N ATOM 982 CA GLN A 62 11.826 23.642 20.995 1.00 0.00 C ATOM 983 C GLN A 62 11.622 25.127 21.309 1.00 0.00 C ATOM 984 O GLN A 62 11.086 25.858 20.479 1.00 0.00 O ATOM 985 CB GLN A 62 10.581 22.864 21.390 1.00 0.00 C ATOM 986 CG GLN A 62 10.475 21.402 20.953 1.00 0.00 C ATOM 987 CD GLN A 62 10.321 21.046 19.488 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.762 20.003 18.992 1.00 0.00 O ATOM 989 NE2 GLN A 62 9.660 21.911 18.729 1.00 0.00 N ATOM 0 H GLN A 62 12.662 22.539 22.507 1.00 0.00 H new ATOM 0 HA GLN A 62 12.021 23.587 19.924 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.500 22.894 22.477 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.716 23.394 20.992 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.368 20.892 21.316 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.625 20.970 21.480 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.295 22.772 19.136 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.517 21.715 17.738 1.00 0.00 H new ATOM 998 N LYS A 63 11.933 25.632 22.504 1.00 0.00 N ATOM 999 CA LYS A 63 11.787 27.002 22.927 1.00 0.00 C ATOM 1000 C LYS A 63 12.822 27.448 23.964 1.00 0.00 C ATOM 1001 O LYS A 63 12.844 26.935 25.087 1.00 0.00 O ATOM 1002 CB LYS A 63 10.324 27.235 23.303 1.00 0.00 C ATOM 1003 CG LYS A 63 9.673 26.212 24.237 1.00 0.00 C ATOM 1004 CD LYS A 63 8.259 26.466 24.756 1.00 0.00 C ATOM 1005 CE LYS A 63 7.854 25.380 25.756 1.00 0.00 C ATOM 1006 NZ LYS A 63 6.416 25.468 26.080 1.00 0.00 N ATOM 0 H LYS A 63 12.319 25.044 23.243 1.00 0.00 H new ATOM 0 HA LYS A 63 12.024 27.669 22.098 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.247 28.217 23.770 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.740 27.273 22.383 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.664 25.254 23.718 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.324 26.099 25.104 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.210 27.445 25.233 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.556 26.482 23.923 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.077 24.397 25.341 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.443 25.482 26.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.167 24.721 26.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.210 26.398 26.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.856 25.347 25.212 1.00 0.00 H new ATOM 1020 N GLU A 64 13.618 28.444 23.586 1.00 0.00 N ATOM 1021 CA GLU A 64 14.412 29.434 24.269 1.00 0.00 C ATOM 1022 C GLU A 64 15.277 28.848 25.394 1.00 0.00 C ATOM 1023 O GLU A 64 14.823 28.466 26.473 1.00 0.00 O ATOM 1024 CB GLU A 64 13.480 30.531 24.781 1.00 0.00 C ATOM 1025 CG GLU A 64 13.299 31.755 23.884 1.00 0.00 C ATOM 1026 CD GLU A 64 11.868 32.241 23.732 1.00 0.00 C ATOM 1027 OE1 GLU A 64 11.003 31.834 24.548 1.00 0.00 O ATOM 1028 OE2 GLU A 64 11.673 33.109 22.852 1.00 0.00 O ATOM 0 H GLU A 64 13.731 28.589 22.583 1.00 0.00 H new ATOM 0 HA GLU A 64 15.126 29.853 23.560 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.499 30.089 24.955 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.853 30.870 25.747 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.902 32.570 24.284 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.693 31.522 22.895 1.00 0.00 H new ATOM 1035 N SER A 65 16.559 28.615 25.164 1.00 0.00 N ATOM 1036 CA SER A 65 17.556 28.024 26.034 1.00 0.00 C ATOM 1037 C SER A 65 18.900 28.735 25.808 1.00 0.00 C ATOM 1038 O SER A 65 19.169 29.555 24.935 1.00 0.00 O ATOM 1039 CB SER A 65 17.663 26.546 25.659 1.00 0.00 C ATOM 1040 OG SER A 65 16.611 25.828 26.266 1.00 0.00 O ATOM 0 H SER A 65 16.968 28.864 24.263 1.00 0.00 H new ATOM 0 HA SER A 65 17.285 28.126 27.085 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.618 26.431 24.576 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.624 26.147 25.983 1.00 0.00 H new ATOM 0 HG SER A 65 15.861 26.434 26.444 1.00 0.00 H new ATOM 1046 N THR A 66 19.889 28.380 26.620 1.00 0.00 N ATOM 1047 CA THR A 66 21.270 28.795 26.475 1.00 0.00 C ATOM 1048 C THR A 66 22.053 27.487 26.355 1.00 0.00 C ATOM 1049 O THR A 66 21.653 26.488 26.947 1.00 0.00 O ATOM 1050 CB THR A 66 21.609 29.536 27.769 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.790 30.674 27.941 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.070 29.998 27.727 1.00 0.00 C ATOM 0 H THR A 66 19.740 27.773 27.426 1.00 0.00 H new ATOM 0 HA THR A 66 21.485 29.440 25.623 1.00 0.00 H new ATOM 0 HB THR A 66 21.442 28.849 28.599 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.029 31.126 28.777 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.311 30.526 28.649 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.723 29.131 27.624 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.216 30.666 26.878 1.00 0.00 H new ATOM 1060 N LEU A 67 23.123 27.617 25.579 1.00 0.00 N ATOM 1061 CA LEU A 67 24.203 26.708 25.259 1.00 0.00 C ATOM 1062 C LEU A 67 25.548 27.229 25.788 1.00 0.00 C ATOM 1063 O LEU A 67 25.940 28.393 25.698 1.00 0.00 O ATOM 1064 CB LEU A 67 24.277 26.490 23.742 1.00 0.00 C ATOM 1065 CG LEU A 67 23.055 25.827 23.117 1.00 0.00 C ATOM 1066 CD1 LEU A 67 23.125 25.841 21.595 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.806 24.439 23.708 1.00 0.00 C ATOM 0 H LEU A 67 23.266 28.500 25.089 1.00 0.00 H new ATOM 0 HA LEU A 67 23.998 25.755 25.748 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.432 27.455 23.260 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.153 25.880 23.522 1.00 0.00 H new ATOM 0 HG LEU A 67 22.178 26.421 23.376 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.237 25.360 21.185 1.00 0.00 H new ATOM 0 HD12 LEU A 67 23.175 26.871 21.243 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.014 25.302 21.267 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.927 23.996 23.239 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.673 23.805 23.525 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.640 24.525 24.782 1.00 0.00 H new ATOM 1079 N HIS A 68 26.349 26.256 26.219 1.00 0.00 N ATOM 1080 CA HIS A 68 27.640 26.450 26.851 1.00 0.00 C ATOM 1081 C HIS A 68 28.586 26.161 25.682 1.00 0.00 C ATOM 1082 O HIS A 68 28.625 25.040 25.182 1.00 0.00 O ATOM 1083 CB HIS A 68 27.813 25.520 28.053 1.00 0.00 C ATOM 1084 CG HIS A 68 27.151 25.989 29.318 1.00 0.00 C ATOM 1085 ND1 HIS A 68 25.975 25.386 29.755 1.00 0.00 N ATOM 1086 CD2 HIS A 68 27.520 26.928 30.234 1.00 0.00 C ATOM 1087 CE1 HIS A 68 25.524 26.096 30.796 1.00 0.00 C ATOM 1088 NE2 HIS A 68 26.496 26.950 31.169 1.00 0.00 N ATOM 0 H HIS A 68 26.099 25.271 26.130 1.00 0.00 H new ATOM 0 HA HIS A 68 27.808 27.434 27.288 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.415 24.539 27.795 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.878 25.392 28.244 1.00 0.00 H new ATOM 0 HD2 HIS A 68 28.418 27.527 30.232 1.00 0.00 H new ATOM 0 HE1 HIS A 68 24.552 26.001 31.256 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.481 27.525 32.011 1.00 0.00 H new ATOM 1096 N LEU A 69 29.354 27.176 25.287 1.00 0.00 N ATOM 1097 CA LEU A 69 30.478 27.049 24.391 1.00 0.00 C ATOM 1098 C LEU A 69 31.776 27.055 25.213 1.00 0.00 C ATOM 1099 O LEU A 69 31.920 27.940 26.055 1.00 0.00 O ATOM 1100 CB LEU A 69 30.352 28.162 23.340 1.00 0.00 C ATOM 1101 CG LEU A 69 31.577 28.553 22.514 1.00 0.00 C ATOM 1102 CD1 LEU A 69 32.064 27.385 21.660 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.322 29.850 21.741 1.00 0.00 C ATOM 0 H LEU A 69 29.197 28.135 25.598 1.00 0.00 H new ATOM 0 HA LEU A 69 30.497 26.105 23.846 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.568 27.867 22.643 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.003 29.058 23.852 1.00 0.00 H new ATOM 0 HG LEU A 69 32.407 28.775 23.184 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.936 27.694 21.084 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.333 26.549 22.306 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.271 27.076 20.979 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.208 30.108 21.161 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.475 29.712 21.069 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.101 30.654 22.443 1.00 0.00 H new ATOM 1115 N VAL A 70 32.630 26.069 24.963 1.00 0.00 N ATOM 1116 CA VAL A 70 34.017 26.010 25.374 1.00 0.00 C ATOM 1117 C VAL A 70 34.885 25.635 24.171 1.00 0.00 C ATOM 1118 O VAL A 70 34.400 25.031 23.218 1.00 0.00 O ATOM 1119 CB VAL A 70 34.117 25.311 26.729 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.978 26.162 27.986 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.328 24.007 26.841 1.00 0.00 C ATOM 0 H VAL A 70 32.350 25.242 24.436 1.00 0.00 H new ATOM 0 HA VAL A 70 34.484 26.959 25.637 1.00 0.00 H new ATOM 0 HB VAL A 70 35.176 25.055 26.712 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.071 25.527 28.867 1.00 0.00 H new ATOM 0 HG12 VAL A 70 34.761 26.920 28.001 1.00 0.00 H new ATOM 0 HG13 VAL A 70 33.002 26.648 27.990 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.461 23.586 27.837 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.270 24.206 26.669 1.00 0.00 H new ATOM 0 HG23 VAL A 70 33.689 23.298 26.096 1.00 0.00 H new ATOM 1131 N LEU A 71 36.167 25.999 24.253 1.00 0.00 N ATOM 1132 CA LEU A 71 37.189 25.658 23.290 1.00 0.00 C ATOM 1133 C LEU A 71 37.738 24.283 23.670 1.00 0.00 C ATOM 1134 O LEU A 71 37.217 23.451 24.413 1.00 0.00 O ATOM 1135 CB LEU A 71 38.260 26.746 23.395 1.00 0.00 C ATOM 1136 CG LEU A 71 38.944 27.062 22.061 1.00 0.00 C ATOM 1137 CD1 LEU A 71 38.112 27.863 21.055 1.00 0.00 C ATOM 1138 CD2 LEU A 71 40.276 27.812 22.173 1.00 0.00 C ATOM 0 H LEU A 71 36.524 26.561 25.026 1.00 0.00 H new ATOM 0 HA LEU A 71 36.822 25.609 22.265 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.805 27.656 23.785 1.00 0.00 H new ATOM 0 HB3 LEU A 71 39.015 26.433 24.116 1.00 0.00 H new ATOM 0 HG LEU A 71 39.096 26.045 21.699 1.00 0.00 H new ATOM 0 HD11 LEU A 71 38.696 28.028 20.149 1.00 0.00 H new ATOM 0 HD12 LEU A 71 37.207 27.308 20.808 1.00 0.00 H new ATOM 0 HD13 LEU A 71 37.840 28.824 21.491 1.00 0.00 H new ATOM 0 HD21 LEU A 71 40.679 27.988 21.176 1.00 0.00 H new ATOM 0 HD22 LEU A 71 40.115 28.767 22.673 1.00 0.00 H new ATOM 0 HD23 LEU A 71 40.982 27.215 22.750 1.00 0.00 H new ATOM 1150 N ARG A 72 38.934 23.933 23.200 1.00 0.00 N ATOM 1151 CA ARG A 72 39.672 22.716 23.477 1.00 0.00 C ATOM 1152 C ARG A 72 40.673 23.001 24.589 1.00 0.00 C ATOM 1153 O ARG A 72 41.120 22.065 25.243 1.00 0.00 O ATOM 1154 CB ARG A 72 40.470 22.319 22.230 1.00 0.00 C ATOM 1155 CG ARG A 72 40.923 20.881 21.985 1.00 0.00 C ATOM 1156 CD ARG A 72 39.878 19.767 22.074 1.00 0.00 C ATOM 1157 NE ARG A 72 40.312 18.670 22.936 1.00 0.00 N ATOM 1158 CZ ARG A 72 40.365 17.374 22.598 1.00 0.00 C ATOM 1159 NH1 ARG A 72 39.829 16.840 21.491 1.00 0.00 N ATOM 1160 NH2 ARG A 72 40.935 16.569 23.504 1.00 0.00 N ATOM 0 H ARG A 72 39.447 24.546 22.566 1.00 0.00 H new ATOM 0 HA ARG A 72 38.981 21.923 23.761 1.00 0.00 H new ATOM 0 HB2 ARG A 72 39.872 22.612 21.367 1.00 0.00 H new ATOM 0 HB3 ARG A 72 41.367 22.938 22.220 1.00 0.00 H new ATOM 0 HG2 ARG A 72 41.371 20.838 20.992 1.00 0.00 H new ATOM 0 HG3 ARG A 72 41.713 20.654 22.701 1.00 0.00 H new ATOM 0 HD2 ARG A 72 38.943 20.178 22.455 1.00 0.00 H new ATOM 0 HD3 ARG A 72 39.673 19.382 21.075 1.00 0.00 H new ATOM 0 HE ARG A 72 40.602 18.913 23.883 1.00 0.00 H new ATOM 0 HH11 ARG A 72 39.333 17.434 20.827 1.00 0.00 H new ATOM 0 HH12 ARG A 72 39.918 15.840 21.313 1.00 0.00 H new ATOM 0 HH21 ARG A 72 41.291 16.956 24.378 1.00 0.00 H new ATOM 0 HH22 ARG A 72 41.013 15.569 23.320 1.00 0.00 H new ATOM 1174 N LEU A 73 41.087 24.232 24.892 1.00 0.00 N ATOM 1175 CA LEU A 73 42.089 24.735 25.820 1.00 0.00 C ATOM 1176 C LEU A 73 41.300 25.601 26.800 1.00 0.00 C ATOM 1177 O LEU A 73 40.237 26.117 26.468 1.00 0.00 O ATOM 1178 CB LEU A 73 43.109 25.586 25.051 1.00 0.00 C ATOM 1179 CG LEU A 73 44.057 24.744 24.195 1.00 0.00 C ATOM 1180 CD1 LEU A 73 44.541 25.525 22.973 1.00 0.00 C ATOM 1181 CD2 LEU A 73 45.169 23.939 24.875 1.00 0.00 C ATOM 0 H LEU A 73 40.652 25.019 24.410 1.00 0.00 H new ATOM 0 HA LEU A 73 42.641 23.943 26.327 1.00 0.00 H new ATOM 0 HB2 LEU A 73 42.578 26.291 24.411 1.00 0.00 H new ATOM 0 HB3 LEU A 73 43.692 26.175 25.759 1.00 0.00 H new ATOM 0 HG LEU A 73 43.410 23.924 23.883 1.00 0.00 H new ATOM 0 HD11 LEU A 73 45.213 24.900 22.385 1.00 0.00 H new ATOM 0 HD12 LEU A 73 43.685 25.813 22.363 1.00 0.00 H new ATOM 0 HD13 LEU A 73 45.071 26.420 23.300 1.00 0.00 H new ATOM 0 HD21 LEU A 73 45.744 23.403 24.120 1.00 0.00 H new ATOM 0 HD22 LEU A 73 45.827 24.616 25.419 1.00 0.00 H new ATOM 0 HD23 LEU A 73 44.728 23.225 25.570 1.00 0.00 H new ATOM 1193 N ARG A 74 41.900 25.875 27.959 1.00 0.00 N ATOM 1194 CA ARG A 74 41.437 26.830 28.953 1.00 0.00 C ATOM 1195 C ARG A 74 42.347 28.048 28.803 1.00 0.00 C ATOM 1196 O ARG A 74 43.539 28.074 29.081 1.00 0.00 O ATOM 1197 CB ARG A 74 41.360 26.222 30.350 1.00 0.00 C ATOM 1198 CG ARG A 74 41.409 27.210 31.512 1.00 0.00 C ATOM 1199 CD ARG A 74 41.234 26.526 32.870 1.00 0.00 C ATOM 1200 NE ARG A 74 42.168 26.995 33.890 1.00 0.00 N ATOM 1201 CZ ARG A 74 41.964 27.997 34.746 1.00 0.00 C ATOM 1202 NH1 ARG A 74 40.872 28.770 34.657 1.00 0.00 N ATOM 1203 NH2 ARG A 74 42.948 28.303 35.604 1.00 0.00 N ATOM 0 H ARG A 74 42.764 25.411 28.239 1.00 0.00 H new ATOM 0 HA ARG A 74 40.404 27.139 28.793 1.00 0.00 H new ATOM 0 HB2 ARG A 74 40.436 25.649 30.425 1.00 0.00 H new ATOM 0 HB3 ARG A 74 42.183 25.516 30.464 1.00 0.00 H new ATOM 0 HG2 ARG A 74 42.362 27.739 31.495 1.00 0.00 H new ATOM 0 HG3 ARG A 74 40.627 27.958 31.382 1.00 0.00 H new ATOM 0 HD2 ARG A 74 40.215 26.690 33.221 1.00 0.00 H new ATOM 0 HD3 ARG A 74 41.358 25.451 32.744 1.00 0.00 H new ATOM 0 HE ARG A 74 43.063 26.509 33.954 1.00 0.00 H new ATOM 0 HH11 ARG A 74 40.182 28.596 33.926 1.00 0.00 H new ATOM 0 HH12 ARG A 74 40.731 29.532 35.320 1.00 0.00 H new ATOM 0 HH21 ARG A 74 43.820 27.775 35.589 1.00 0.00 H new ATOM 0 HH22 ARG A 74 42.824 29.064 36.272 1.00 0.00 H new ATOM 1217 N GLY A 75 41.654 29.179 28.635 1.00 0.00 N ATOM 1218 CA GLY A 75 42.240 30.439 28.236 1.00 0.00 C ATOM 1219 C GLY A 75 41.086 31.349 27.808 1.00 0.00 C ATOM 1220 O GLY A 75 40.013 31.315 28.406 1.00 0.00 O ATOM 0 H GLY A 75 40.646 29.233 28.779 1.00 0.00 H new ATOM 0 HA2 GLY A 75 42.798 30.884 29.060 1.00 0.00 H new ATOM 0 HA3 GLY A 75 42.943 30.295 27.416 1.00 0.00 H new ATOM 1224 N GLY A 76 41.372 32.276 26.890 1.00 0.00 N ATOM 1225 CA GLY A 76 40.390 33.220 26.371 1.00 0.00 C ATOM 1226 C GLY A 76 40.124 33.098 24.878 1.00 0.00 C ATOM 1227 O GLY A 76 39.611 32.027 24.492 1.00 0.00 O ATOM 1228 OXT GLY A 76 40.430 33.969 24.044 1.00 0.00 O ATOM 0 H GLY A 76 42.301 32.390 26.485 1.00 0.00 H new ATOM 0 HA2 GLY A 76 39.451 33.079 26.907 1.00 0.00 H new ATOM 0 HA3 GLY A 76 40.731 34.233 26.585 1.00 0.00 H new TER 1232 GLY A 76