USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 773 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 27 GLN : amide:sc= -2.31! C(o=-2.9!,f=-3.6!) USER MOD Set 1.2: A 61 GLN : amide:sc= -0.574 K(o=-2.9,f=-5.2) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 9 LYS NZ :NH3+ -162:sc= -0.625! (180deg=-1.55!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0504 USER MOD Single : A 36 ASN : amide:sc= -0.84 K(o=-0.84,f=-2.5!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-1.6) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.502 K(o=-0.5,f=-1.4) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.596 X(o=-0.6,f=-0.43) USER MOD Single : A 50 HIS : no HD1:sc= -0.472 X(o=-0.47,f=-0.69!) USER MOD Single : A 51 SER OG : rot 180:sc=-0.00884 USER MOD Single : A 52 HIS : no HD1:sc= -6.7! C(o=-6.7!,f=-6.8!) USER MOD Single : A 57 MET CE :methyl -141:sc= -0.287 (180deg=-1.57!) USER MOD Single : A 58 MET CE :methyl -165:sc= -7.14! (180deg=-7.95!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.2 K(o=-1.2,f=-5.4!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 78.727 -2.517 -7.468 1.00 0.00 N ATOM 2 CA PRO A 1 77.784 -2.056 -8.534 1.00 0.00 C ATOM 3 C PRO A 1 76.503 -2.891 -8.481 1.00 0.00 C ATOM 4 O PRO A 1 76.197 -3.513 -7.484 1.00 0.00 O ATOM 5 CB PRO A 1 78.465 -2.240 -9.889 1.00 0.00 C ATOM 6 CG PRO A 1 79.846 -2.825 -9.625 1.00 0.00 C ATOM 7 CD PRO A 1 79.988 -2.996 -8.113 1.00 0.00 C ATOM 0 H2 PRO A 1 78.303 -3.267 -6.922 1.00 0.00 H new ATOM 0 H3 PRO A 1 78.929 -1.754 -6.821 1.00 0.00 H new ATOM 0 HA PRO A 1 77.527 -1.007 -8.384 1.00 0.00 H new ATOM 0 HB2 PRO A 1 77.881 -2.905 -10.526 1.00 0.00 H new ATOM 0 HB3 PRO A 1 78.545 -1.287 -10.412 1.00 0.00 H new ATOM 0 HG2 PRO A 1 79.960 -3.783 -10.132 1.00 0.00 H new ATOM 0 HG3 PRO A 1 80.623 -2.165 -10.011 1.00 0.00 H new ATOM 0 HD2 PRO A 1 80.169 -4.042 -7.864 1.00 0.00 H new ATOM 0 HD3 PRO A 1 80.843 -2.428 -7.745 1.00 0.00 H new ATOM 17 N ILE A 2 75.753 -2.914 -9.549 1.00 0.00 N ATOM 18 CA ILE A 2 74.499 -3.709 -9.561 1.00 0.00 C ATOM 19 C ILE A 2 74.217 -4.194 -10.986 1.00 0.00 C ATOM 20 O ILE A 2 75.122 -4.407 -11.767 1.00 0.00 O ATOM 21 CB ILE A 2 73.333 -2.849 -9.066 1.00 0.00 C ATOM 22 CG1 ILE A 2 73.848 -1.818 -8.055 1.00 0.00 C ATOM 23 CG2 ILE A 2 72.291 -3.744 -8.392 1.00 0.00 C ATOM 24 CD1 ILE A 2 72.664 -1.170 -7.336 1.00 0.00 C ATOM 0 H ILE A 2 75.958 -2.414 -10.414 1.00 0.00 H new ATOM 0 HA ILE A 2 74.610 -4.569 -8.901 1.00 0.00 H new ATOM 0 HB ILE A 2 72.879 -2.333 -9.912 1.00 0.00 H new ATOM 0 HG12 ILE A 2 74.506 -2.300 -7.332 1.00 0.00 H new ATOM 0 HG13 ILE A 2 74.438 -1.056 -8.565 1.00 0.00 H new ATOM 0 HG21 ILE A 2 71.460 -3.133 -8.039 1.00 0.00 H new ATOM 0 HG22 ILE A 2 71.923 -4.478 -9.109 1.00 0.00 H new ATOM 0 HG23 ILE A 2 72.747 -4.260 -7.547 1.00 0.00 H new ATOM 0 HD11 ILE A 2 73.031 -0.437 -6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 2 72.023 -0.674 -8.065 1.00 0.00 H new ATOM 0 HD13 ILE A 2 72.092 -1.936 -6.813 1.00 0.00 H new ATOM 36 N THR A 3 72.970 -4.375 -11.329 1.00 0.00 N ATOM 37 CA THR A 3 72.638 -4.852 -12.698 1.00 0.00 C ATOM 38 C THR A 3 72.971 -3.758 -13.723 1.00 0.00 C ATOM 39 O THR A 3 73.500 -2.717 -13.387 1.00 0.00 O ATOM 40 CB THR A 3 71.145 -5.247 -12.752 1.00 0.00 C ATOM 41 OG1 THR A 3 71.036 -6.576 -13.241 1.00 0.00 O ATOM 42 CG2 THR A 3 70.341 -4.311 -13.666 1.00 0.00 C ATOM 0 H THR A 3 72.169 -4.213 -10.719 1.00 0.00 H new ATOM 0 HA THR A 3 73.233 -5.731 -12.945 1.00 0.00 H new ATOM 0 HB THR A 3 70.737 -5.168 -11.744 1.00 0.00 H new ATOM 0 HG1 THR A 3 70.092 -6.835 -13.277 1.00 0.00 H new ATOM 0 HG21 THR A 3 69.296 -4.622 -13.677 1.00 0.00 H new ATOM 0 HG22 THR A 3 70.411 -3.289 -13.293 1.00 0.00 H new ATOM 0 HG23 THR A 3 70.744 -4.356 -14.678 1.00 0.00 H new ATOM 50 N LYS A 4 72.665 -3.994 -14.970 1.00 0.00 N ATOM 51 CA LYS A 4 72.961 -2.980 -16.021 1.00 0.00 C ATOM 52 C LYS A 4 72.578 -1.584 -15.523 1.00 0.00 C ATOM 53 O LYS A 4 73.410 -0.835 -15.052 1.00 0.00 O ATOM 54 CB LYS A 4 72.161 -3.308 -17.283 1.00 0.00 C ATOM 55 CG LYS A 4 73.085 -3.942 -18.324 1.00 0.00 C ATOM 56 CD LYS A 4 73.941 -2.854 -18.975 1.00 0.00 C ATOM 57 CE LYS A 4 73.887 -3.004 -20.497 1.00 0.00 C ATOM 58 NZ LYS A 4 75.272 -3.139 -21.032 1.00 0.00 N ATOM 0 H LYS A 4 72.221 -4.848 -15.307 1.00 0.00 H new ATOM 0 HA LYS A 4 74.027 -2.999 -16.247 1.00 0.00 H new ATOM 0 HB2 LYS A 4 71.345 -3.990 -17.042 1.00 0.00 H new ATOM 0 HB3 LYS A 4 71.710 -2.401 -17.686 1.00 0.00 H new ATOM 0 HG2 LYS A 4 73.724 -4.689 -17.852 1.00 0.00 H new ATOM 0 HG3 LYS A 4 72.496 -4.459 -19.082 1.00 0.00 H new ATOM 0 HD2 LYS A 4 73.579 -1.868 -18.683 1.00 0.00 H new ATOM 0 HD3 LYS A 4 74.971 -2.931 -18.628 1.00 0.00 H new ATOM 0 HE2 LYS A 4 73.295 -3.879 -20.766 1.00 0.00 H new ATOM 0 HE3 LYS A 4 73.397 -2.138 -20.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 75.236 -3.241 -22.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 75.823 -2.292 -20.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 75.724 -3.978 -20.617 1.00 0.00 H new ATOM 72 N GLU A 5 71.327 -1.225 -15.632 1.00 0.00 N ATOM 73 CA GLU A 5 70.900 0.124 -15.176 1.00 0.00 C ATOM 74 C GLU A 5 70.506 0.080 -13.708 1.00 0.00 C ATOM 75 O GLU A 5 69.832 0.954 -13.199 1.00 0.00 O ATOM 76 CB GLU A 5 69.709 0.588 -16.004 1.00 0.00 C ATOM 77 CG GLU A 5 70.156 1.671 -16.988 1.00 0.00 C ATOM 78 CD GLU A 5 69.371 2.958 -16.723 1.00 0.00 C ATOM 79 OE1 GLU A 5 68.361 2.883 -16.044 1.00 0.00 O ATOM 80 OE2 GLU A 5 69.795 3.996 -17.205 1.00 0.00 O ATOM 0 H GLU A 5 70.585 -1.809 -16.017 1.00 0.00 H new ATOM 0 HA GLU A 5 71.730 0.819 -15.303 1.00 0.00 H new ATOM 0 HB2 GLU A 5 69.280 -0.255 -16.546 1.00 0.00 H new ATOM 0 HB3 GLU A 5 68.928 0.977 -15.350 1.00 0.00 H new ATOM 0 HG2 GLU A 5 71.225 1.856 -16.881 1.00 0.00 H new ATOM 0 HG3 GLU A 5 69.992 1.337 -18.012 1.00 0.00 H new ATOM 87 N GLU A 6 70.935 -0.927 -13.029 1.00 0.00 N ATOM 88 CA GLU A 6 70.612 -1.053 -11.585 1.00 0.00 C ATOM 89 C GLU A 6 71.659 -0.316 -10.765 1.00 0.00 C ATOM 90 O GLU A 6 71.657 -0.336 -9.550 1.00 0.00 O ATOM 91 CB GLU A 6 70.610 -2.523 -11.198 1.00 0.00 C ATOM 92 CG GLU A 6 69.209 -3.104 -11.403 1.00 0.00 C ATOM 93 CD GLU A 6 68.257 -2.526 -10.354 1.00 0.00 C ATOM 94 OE1 GLU A 6 68.695 -1.686 -9.585 1.00 0.00 O ATOM 95 OE2 GLU A 6 67.107 -2.931 -10.339 1.00 0.00 O ATOM 0 H GLU A 6 71.504 -1.683 -13.411 1.00 0.00 H new ATOM 0 HA GLU A 6 69.630 -0.622 -11.391 1.00 0.00 H new ATOM 0 HB2 GLU A 6 71.334 -3.070 -11.802 1.00 0.00 H new ATOM 0 HB3 GLU A 6 70.913 -2.636 -10.157 1.00 0.00 H new ATOM 0 HG2 GLU A 6 68.849 -2.869 -12.405 1.00 0.00 H new ATOM 0 HG3 GLU A 6 69.239 -4.191 -11.322 1.00 0.00 H new ATOM 102 N LYS A 7 72.545 0.331 -11.436 1.00 0.00 N ATOM 103 CA LYS A 7 73.616 1.091 -10.746 1.00 0.00 C ATOM 104 C LYS A 7 73.847 2.426 -11.461 1.00 0.00 C ATOM 105 O LYS A 7 74.156 3.425 -10.843 1.00 0.00 O ATOM 106 CB LYS A 7 74.911 0.275 -10.753 1.00 0.00 C ATOM 107 CG LYS A 7 75.458 0.192 -12.180 1.00 0.00 C ATOM 108 CD LYS A 7 76.429 1.349 -12.425 1.00 0.00 C ATOM 109 CE LYS A 7 77.850 0.911 -12.068 1.00 0.00 C ATOM 110 NZ LYS A 7 78.784 1.321 -13.153 1.00 0.00 N ATOM 0 H LYS A 7 72.580 0.371 -12.455 1.00 0.00 H new ATOM 0 HA LYS A 7 73.314 1.282 -9.716 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.648 0.738 -10.097 1.00 0.00 H new ATOM 0 HB3 LYS A 7 74.724 -0.727 -10.366 1.00 0.00 H new ATOM 0 HG2 LYS A 7 75.966 -0.761 -12.331 1.00 0.00 H new ATOM 0 HG3 LYS A 7 74.638 0.233 -12.897 1.00 0.00 H new ATOM 0 HD2 LYS A 7 76.385 1.659 -13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 7 76.142 2.212 -11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 7 78.154 1.361 -11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.885 -0.170 -11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 79.750 1.023 -12.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 78.497 0.872 -14.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 78.757 2.355 -13.262 1.00 0.00 H new ATOM 124 N GLN A 8 73.698 2.454 -12.757 1.00 0.00 N ATOM 125 CA GLN A 8 73.910 3.725 -13.504 1.00 0.00 C ATOM 126 C GLN A 8 73.012 4.815 -12.918 1.00 0.00 C ATOM 127 O GLN A 8 73.430 5.937 -12.718 1.00 0.00 O ATOM 128 CB GLN A 8 73.561 3.513 -14.979 1.00 0.00 C ATOM 129 CG GLN A 8 74.843 3.535 -15.816 1.00 0.00 C ATOM 130 CD GLN A 8 74.483 3.635 -17.299 1.00 0.00 C ATOM 131 OE1 GLN A 8 73.338 3.472 -17.671 1.00 0.00 O ATOM 132 NE2 GLN A 8 75.421 3.900 -18.168 1.00 0.00 N ATOM 0 H GLN A 8 73.439 1.651 -13.331 1.00 0.00 H new ATOM 0 HA GLN A 8 74.953 4.029 -13.418 1.00 0.00 H new ATOM 0 HB2 GLN A 8 73.046 2.561 -15.109 1.00 0.00 H new ATOM 0 HB3 GLN A 8 72.879 4.293 -15.318 1.00 0.00 H new ATOM 0 HG2 GLN A 8 75.466 4.381 -15.524 1.00 0.00 H new ATOM 0 HG3 GLN A 8 75.425 2.632 -15.632 1.00 0.00 H new ATOM 0 HE21 GLN A 8 76.382 4.037 -17.855 1.00 0.00 H new ATOM 0 HE22 GLN A 8 75.192 3.970 -19.160 1.00 0.00 H new ATOM 141 N LYS A 9 71.778 4.493 -12.642 1.00 0.00 N ATOM 142 CA LYS A 9 70.854 5.507 -12.072 1.00 0.00 C ATOM 143 C LYS A 9 71.182 5.724 -10.592 1.00 0.00 C ATOM 144 O LYS A 9 70.927 6.774 -10.037 1.00 0.00 O ATOM 145 CB LYS A 9 69.411 5.018 -12.210 1.00 0.00 C ATOM 146 CG LYS A 9 68.660 5.916 -13.195 1.00 0.00 C ATOM 147 CD LYS A 9 69.331 5.842 -14.569 1.00 0.00 C ATOM 148 CE LYS A 9 68.267 5.942 -15.663 1.00 0.00 C ATOM 149 NZ LYS A 9 67.164 4.983 -15.372 1.00 0.00 N ATOM 0 H LYS A 9 71.371 3.569 -12.788 1.00 0.00 H new ATOM 0 HA LYS A 9 70.971 6.448 -12.610 1.00 0.00 H new ATOM 0 HB2 LYS A 9 69.397 3.986 -12.560 1.00 0.00 H new ATOM 0 HB3 LYS A 9 68.917 5.032 -11.239 1.00 0.00 H new ATOM 0 HG2 LYS A 9 67.619 5.601 -13.270 1.00 0.00 H new ATOM 0 HG3 LYS A 9 68.657 6.945 -12.835 1.00 0.00 H new ATOM 0 HD2 LYS A 9 70.055 6.650 -14.676 1.00 0.00 H new ATOM 0 HD3 LYS A 9 69.881 4.906 -14.667 1.00 0.00 H new ATOM 0 HE2 LYS A 9 67.876 6.958 -15.713 1.00 0.00 H new ATOM 0 HE3 LYS A 9 68.708 5.722 -16.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 66.607 4.822 -16.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 67.565 4.081 -15.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 66.549 5.376 -14.631 1.00 0.00 H new ATOM 163 N VAL A 10 71.741 4.736 -9.949 1.00 0.00 N ATOM 164 CA VAL A 10 72.081 4.880 -8.507 1.00 0.00 C ATOM 165 C VAL A 10 73.113 5.994 -8.331 1.00 0.00 C ATOM 166 O VAL A 10 72.936 6.900 -7.542 1.00 0.00 O ATOM 167 CB VAL A 10 72.658 3.563 -7.985 1.00 0.00 C ATOM 168 CG1 VAL A 10 73.163 3.757 -6.554 1.00 0.00 C ATOM 169 CG2 VAL A 10 71.567 2.490 -7.998 1.00 0.00 C ATOM 0 H VAL A 10 71.977 3.834 -10.362 1.00 0.00 H new ATOM 0 HA VAL A 10 71.180 5.130 -7.947 1.00 0.00 H new ATOM 0 HB VAL A 10 73.485 3.251 -8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.574 2.818 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 10 73.939 4.522 -6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 10 72.336 4.069 -5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.976 1.551 -7.626 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.741 2.804 -7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 10 71.206 2.351 -9.017 1.00 0.00 H new ATOM 179 N ILE A 11 74.192 5.927 -9.056 1.00 0.00 N ATOM 180 CA ILE A 11 75.242 6.972 -8.933 1.00 0.00 C ATOM 181 C ILE A 11 74.775 8.243 -9.623 1.00 0.00 C ATOM 182 O ILE A 11 74.891 9.334 -9.108 1.00 0.00 O ATOM 183 CB ILE A 11 76.552 6.467 -9.559 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.696 6.860 -11.045 1.00 0.00 C ATOM 185 CG2 ILE A 11 76.626 4.946 -9.426 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.872 5.924 -11.921 1.00 0.00 C ATOM 0 H ILE A 11 74.393 5.190 -9.732 1.00 0.00 H new ATOM 0 HA ILE A 11 75.422 7.190 -7.880 1.00 0.00 H new ATOM 0 HB ILE A 11 77.371 6.942 -9.019 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.367 7.889 -11.190 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.744 6.816 -11.340 1.00 0.00 H new ATOM 0 HG21 ILE A 11 77.555 4.587 -9.870 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.597 4.671 -8.372 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.779 4.494 -9.942 1.00 0.00 H new ATOM 0 HD11 ILE A 11 75.983 6.212 -12.966 1.00 0.00 H new ATOM 0 HD12 ILE A 11 76.221 4.900 -11.788 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.822 5.989 -11.636 1.00 0.00 H new ATOM 198 N GLN A 12 74.256 8.087 -10.792 1.00 0.00 N ATOM 199 CA GLN A 12 73.757 9.262 -11.570 1.00 0.00 C ATOM 200 C GLN A 12 73.088 10.230 -10.599 1.00 0.00 C ATOM 201 O GLN A 12 73.200 11.434 -10.715 1.00 0.00 O ATOM 202 CB GLN A 12 72.741 8.797 -12.616 1.00 0.00 C ATOM 203 CG GLN A 12 73.365 8.887 -14.009 1.00 0.00 C ATOM 204 CD GLN A 12 73.151 10.292 -14.576 1.00 0.00 C ATOM 205 OE1 GLN A 12 73.450 11.274 -13.926 1.00 0.00 O ATOM 206 NE2 GLN A 12 72.643 10.430 -15.771 1.00 0.00 N ATOM 0 H GLN A 12 74.149 7.187 -11.260 1.00 0.00 H new ATOM 0 HA GLN A 12 74.586 9.753 -12.080 1.00 0.00 H new ATOM 0 HB2 GLN A 12 72.434 7.772 -12.409 1.00 0.00 H new ATOM 0 HB3 GLN A 12 71.844 9.415 -12.567 1.00 0.00 H new ATOM 0 HG2 GLN A 12 74.430 8.663 -13.957 1.00 0.00 H new ATOM 0 HG3 GLN A 12 72.915 8.145 -14.669 1.00 0.00 H new ATOM 0 HE21 GLN A 12 72.392 9.606 -16.317 1.00 0.00 H new ATOM 0 HE22 GLN A 12 72.497 11.362 -16.159 1.00 0.00 H new ATOM 215 N GLU A 13 72.422 9.693 -9.617 1.00 0.00 N ATOM 216 CA GLU A 13 71.771 10.545 -8.596 1.00 0.00 C ATOM 217 C GLU A 13 72.763 10.763 -7.453 1.00 0.00 C ATOM 218 O GLU A 13 72.827 11.820 -6.858 1.00 0.00 O ATOM 219 CB GLU A 13 70.515 9.850 -8.065 1.00 0.00 C ATOM 220 CG GLU A 13 69.558 10.894 -7.487 1.00 0.00 C ATOM 221 CD GLU A 13 69.083 10.443 -6.105 1.00 0.00 C ATOM 222 OE1 GLU A 13 69.922 10.051 -5.311 1.00 0.00 O ATOM 223 OE2 GLU A 13 67.889 10.497 -5.863 1.00 0.00 O ATOM 0 H GLU A 13 72.302 8.689 -9.480 1.00 0.00 H new ATOM 0 HA GLU A 13 71.482 11.501 -9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.026 9.298 -8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.785 9.125 -7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 13 70.058 11.860 -7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 13 68.704 11.027 -8.151 1.00 0.00 H new ATOM 230 N PHE A 14 73.542 9.757 -7.151 1.00 0.00 N ATOM 231 CA PHE A 14 74.541 9.872 -6.059 1.00 0.00 C ATOM 232 C PHE A 14 75.847 10.451 -6.609 1.00 0.00 C ATOM 233 O PHE A 14 76.216 11.569 -6.304 1.00 0.00 O ATOM 234 CB PHE A 14 74.807 8.487 -5.467 1.00 0.00 C ATOM 235 CG PHE A 14 73.808 8.205 -4.370 1.00 0.00 C ATOM 236 CD1 PHE A 14 72.499 7.829 -4.693 1.00 0.00 C ATOM 237 CD2 PHE A 14 74.193 8.322 -3.030 1.00 0.00 C ATOM 238 CE1 PHE A 14 71.574 7.568 -3.674 1.00 0.00 C ATOM 239 CE2 PHE A 14 73.269 8.062 -2.011 1.00 0.00 C ATOM 240 CZ PHE A 14 71.960 7.685 -2.333 1.00 0.00 C ATOM 0 H PHE A 14 73.525 8.853 -7.622 1.00 0.00 H new ATOM 0 HA PHE A 14 74.154 10.534 -5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.732 7.727 -6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.821 8.438 -5.071 1.00 0.00 H new ATOM 0 HD1 PHE A 14 72.202 7.740 -5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 14 75.203 8.613 -2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 14 70.564 7.277 -3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 14 73.566 8.152 -0.977 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.247 7.484 -1.547 1.00 0.00 H new ATOM 250 N ALA A 15 76.556 9.701 -7.412 1.00 0.00 N ATOM 251 CA ALA A 15 77.837 10.217 -7.969 1.00 0.00 C ATOM 252 C ALA A 15 77.593 11.541 -8.686 1.00 0.00 C ATOM 253 O ALA A 15 76.813 11.620 -9.615 1.00 0.00 O ATOM 254 CB ALA A 15 78.411 9.212 -8.968 1.00 0.00 C ATOM 0 H ALA A 15 76.303 8.757 -7.704 1.00 0.00 H new ATOM 0 HA ALA A 15 78.541 10.365 -7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 15 79.348 9.595 -9.372 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.594 8.263 -8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.701 9.061 -9.781 1.00 0.00 H new ATOM 260 N ARG A 16 78.264 12.580 -8.278 1.00 0.00 N ATOM 261 CA ARG A 16 78.078 13.890 -8.956 1.00 0.00 C ATOM 262 C ARG A 16 79.141 14.035 -10.038 1.00 0.00 C ATOM 263 O ARG A 16 79.581 15.120 -10.358 1.00 0.00 O ATOM 264 CB ARG A 16 78.211 15.026 -7.938 1.00 0.00 C ATOM 265 CG ARG A 16 79.364 14.723 -6.979 1.00 0.00 C ATOM 266 CD ARG A 16 78.804 14.182 -5.662 1.00 0.00 C ATOM 267 NE ARG A 16 78.314 15.315 -4.829 1.00 0.00 N ATOM 268 CZ ARG A 16 79.112 16.305 -4.537 1.00 0.00 C ATOM 269 NH1 ARG A 16 80.347 16.066 -4.191 1.00 0.00 N ATOM 270 NH2 ARG A 16 78.676 17.534 -4.592 1.00 0.00 N ATOM 0 H ARG A 16 78.931 12.579 -7.507 1.00 0.00 H new ATOM 0 HA ARG A 16 77.086 13.938 -9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 16 78.391 15.970 -8.453 1.00 0.00 H new ATOM 0 HB3 ARG A 16 77.281 15.139 -7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 16 80.040 13.994 -7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 16 79.945 15.627 -6.795 1.00 0.00 H new ATOM 0 HD2 ARG A 16 77.991 13.484 -5.860 1.00 0.00 H new ATOM 0 HD3 ARG A 16 79.576 13.629 -5.126 1.00 0.00 H new ATOM 0 HE ARG A 16 77.353 15.317 -4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 16 80.688 15.106 -4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 16 80.971 16.839 -3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 16 77.711 17.721 -4.863 1.00 0.00 H new ATOM 0 HH22 ARG A 16 79.301 18.307 -4.364 1.00 0.00 H new ATOM 284 N PHE A 17 79.558 12.936 -10.598 1.00 0.00 N ATOM 285 CA PHE A 17 80.598 12.981 -11.658 1.00 0.00 C ATOM 286 C PHE A 17 80.744 11.586 -12.263 1.00 0.00 C ATOM 287 O PHE A 17 80.223 10.625 -11.731 1.00 0.00 O ATOM 288 CB PHE A 17 81.930 13.410 -11.033 1.00 0.00 C ATOM 289 CG PHE A 17 82.120 14.899 -11.206 1.00 0.00 C ATOM 290 CD1 PHE A 17 81.815 15.510 -12.429 1.00 0.00 C ATOM 291 CD2 PHE A 17 82.604 15.669 -10.142 1.00 0.00 C ATOM 292 CE1 PHE A 17 81.992 16.890 -12.585 1.00 0.00 C ATOM 293 CE2 PHE A 17 82.782 17.049 -10.299 1.00 0.00 C ATOM 294 CZ PHE A 17 82.476 17.659 -11.521 1.00 0.00 C ATOM 0 H PHE A 17 79.220 12.002 -10.365 1.00 0.00 H new ATOM 0 HA PHE A 17 80.315 13.692 -12.434 1.00 0.00 H new ATOM 0 HB2 PHE A 17 81.945 13.153 -9.974 1.00 0.00 H new ATOM 0 HB3 PHE A 17 82.753 12.872 -11.503 1.00 0.00 H new ATOM 0 HD1 PHE A 17 81.443 14.917 -13.251 1.00 0.00 H new ATOM 0 HD2 PHE A 17 82.840 15.198 -9.199 1.00 0.00 H new ATOM 0 HE1 PHE A 17 81.755 17.361 -13.527 1.00 0.00 H new ATOM 0 HE2 PHE A 17 83.155 17.642 -9.477 1.00 0.00 H new ATOM 0 HZ PHE A 17 82.613 18.723 -11.643 1.00 0.00 H new ATOM 304 N PRO A 18 81.464 11.511 -13.349 1.00 0.00 N ATOM 305 CA PRO A 18 81.714 10.236 -14.039 1.00 0.00 C ATOM 306 C PRO A 18 82.735 9.407 -13.252 1.00 0.00 C ATOM 307 O PRO A 18 83.122 8.329 -13.657 1.00 0.00 O ATOM 308 CB PRO A 18 82.265 10.665 -15.402 1.00 0.00 C ATOM 309 CG PRO A 18 82.812 12.099 -15.217 1.00 0.00 C ATOM 310 CD PRO A 18 82.096 12.683 -13.988 1.00 0.00 C ATOM 0 HA PRO A 18 80.828 9.609 -14.135 1.00 0.00 H new ATOM 0 HB2 PRO A 18 83.053 9.988 -15.734 1.00 0.00 H new ATOM 0 HB3 PRO A 18 81.484 10.642 -16.162 1.00 0.00 H new ATOM 0 HG2 PRO A 18 83.892 12.086 -15.068 1.00 0.00 H new ATOM 0 HG3 PRO A 18 82.620 12.705 -16.102 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.798 13.175 -13.314 1.00 0.00 H new ATOM 0 HD3 PRO A 18 81.355 13.429 -14.275 1.00 0.00 H new ATOM 318 N GLY A 19 83.165 9.903 -12.121 1.00 0.00 N ATOM 319 CA GLY A 19 84.148 9.152 -11.297 1.00 0.00 C ATOM 320 C GLY A 19 83.622 9.030 -9.864 1.00 0.00 C ATOM 321 O GLY A 19 84.204 8.355 -9.038 1.00 0.00 O ATOM 0 H GLY A 19 82.874 10.801 -11.734 1.00 0.00 H new ATOM 0 HA2 GLY A 19 84.313 8.162 -11.721 1.00 0.00 H new ATOM 0 HA3 GLY A 19 85.110 9.665 -11.301 1.00 0.00 H new ATOM 325 N ASP A 20 82.522 9.673 -9.556 1.00 0.00 N ATOM 326 CA ASP A 20 81.971 9.579 -8.180 1.00 0.00 C ATOM 327 C ASP A 20 80.996 8.411 -8.103 1.00 0.00 C ATOM 328 O ASP A 20 80.183 8.313 -7.207 1.00 0.00 O ATOM 329 CB ASP A 20 81.259 10.881 -7.811 1.00 0.00 C ATOM 330 CG ASP A 20 81.534 11.215 -6.343 1.00 0.00 C ATOM 331 OD1 ASP A 20 82.670 11.532 -6.032 1.00 0.00 O ATOM 332 OD2 ASP A 20 80.604 11.147 -5.556 1.00 0.00 O ATOM 0 H ASP A 20 81.987 10.256 -10.200 1.00 0.00 H new ATOM 0 HA ASP A 20 82.786 9.415 -7.476 1.00 0.00 H new ATOM 0 HB2 ASP A 20 81.607 11.692 -8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 20 80.186 10.781 -7.978 1.00 0.00 H new ATOM 337 N THR A 21 81.091 7.524 -9.040 1.00 0.00 N ATOM 338 CA THR A 21 80.197 6.333 -9.060 1.00 0.00 C ATOM 339 C THR A 21 80.859 5.215 -8.260 1.00 0.00 C ATOM 340 O THR A 21 80.210 4.311 -7.773 1.00 0.00 O ATOM 341 CB THR A 21 79.985 5.872 -10.506 1.00 0.00 C ATOM 342 OG1 THR A 21 80.993 4.935 -10.854 1.00 0.00 O ATOM 343 CG2 THR A 21 80.055 7.076 -11.448 1.00 0.00 C ATOM 0 H THR A 21 81.760 7.569 -9.809 1.00 0.00 H new ATOM 0 HA THR A 21 79.231 6.585 -8.622 1.00 0.00 H new ATOM 0 HB THR A 21 79.005 5.403 -10.597 1.00 0.00 H new ATOM 0 HG1 THR A 21 80.858 4.638 -11.778 1.00 0.00 H new ATOM 0 HG21 THR A 21 79.904 6.744 -12.475 1.00 0.00 H new ATOM 0 HG22 THR A 21 79.279 7.793 -11.181 1.00 0.00 H new ATOM 0 HG23 THR A 21 81.033 7.550 -11.360 1.00 0.00 H new ATOM 351 N GLY A 22 82.153 5.283 -8.109 1.00 0.00 N ATOM 352 CA GLY A 22 82.870 4.242 -7.328 1.00 0.00 C ATOM 353 C GLY A 22 83.221 4.807 -5.951 1.00 0.00 C ATOM 354 O GLY A 22 83.803 4.135 -5.122 1.00 0.00 O ATOM 0 H GLY A 22 82.745 6.018 -8.495 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.247 3.354 -7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.776 3.936 -7.851 1.00 0.00 H new ATOM 358 N SER A 23 82.870 6.042 -5.699 1.00 0.00 N ATOM 359 CA SER A 23 83.184 6.648 -4.375 1.00 0.00 C ATOM 360 C SER A 23 82.625 5.759 -3.263 1.00 0.00 C ATOM 361 O SER A 23 81.952 4.779 -3.519 1.00 0.00 O ATOM 362 CB SER A 23 82.546 8.037 -4.287 1.00 0.00 C ATOM 363 OG SER A 23 83.106 8.741 -3.186 1.00 0.00 O ATOM 0 H SER A 23 82.381 6.654 -6.352 1.00 0.00 H new ATOM 0 HA SER A 23 84.264 6.736 -4.261 1.00 0.00 H new ATOM 0 HB2 SER A 23 82.718 8.588 -5.212 1.00 0.00 H new ATOM 0 HB3 SER A 23 81.467 7.947 -4.165 1.00 0.00 H new ATOM 0 HG SER A 23 82.701 9.632 -3.127 1.00 0.00 H new ATOM 369 N THR A 24 82.897 6.087 -2.031 1.00 0.00 N ATOM 370 CA THR A 24 82.378 5.255 -0.909 1.00 0.00 C ATOM 371 C THR A 24 80.944 5.671 -0.583 1.00 0.00 C ATOM 372 O THR A 24 80.162 4.892 -0.079 1.00 0.00 O ATOM 373 CB THR A 24 83.256 5.453 0.327 1.00 0.00 C ATOM 374 OG1 THR A 24 84.516 4.831 0.118 1.00 0.00 O ATOM 375 CG2 THR A 24 82.570 4.826 1.541 1.00 0.00 C ATOM 0 H THR A 24 83.455 6.894 -1.752 1.00 0.00 H new ATOM 0 HA THR A 24 82.395 4.205 -1.203 1.00 0.00 H new ATOM 0 HB THR A 24 83.404 6.518 0.503 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.079 4.959 0.909 1.00 0.00 H new ATOM 0 HG21 THR A 24 83.194 4.966 2.424 1.00 0.00 H new ATOM 0 HG22 THR A 24 81.604 5.304 1.700 1.00 0.00 H new ATOM 0 HG23 THR A 24 82.423 3.760 1.366 1.00 0.00 H new ATOM 383 N GLU A 25 80.590 6.893 -0.867 1.00 0.00 N ATOM 384 CA GLU A 25 79.209 7.354 -0.575 1.00 0.00 C ATOM 385 C GLU A 25 78.235 6.645 -1.514 1.00 0.00 C ATOM 386 O GLU A 25 77.222 6.119 -1.099 1.00 0.00 O ATOM 387 CB GLU A 25 79.130 8.862 -0.803 1.00 0.00 C ATOM 388 CG GLU A 25 79.967 9.581 0.253 1.00 0.00 C ATOM 389 CD GLU A 25 80.145 11.047 -0.144 1.00 0.00 C ATOM 390 OE1 GLU A 25 79.145 11.696 -0.403 1.00 0.00 O ATOM 391 OE2 GLU A 25 81.278 11.498 -0.181 1.00 0.00 O ATOM 0 H GLU A 25 81.201 7.592 -1.290 1.00 0.00 H new ATOM 0 HA GLU A 25 78.950 7.125 0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 25 79.493 9.109 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.093 9.195 -0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.479 9.514 1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 25 80.940 9.099 0.350 1.00 0.00 H new ATOM 398 N VAL A 26 78.539 6.633 -2.781 1.00 0.00 N ATOM 399 CA VAL A 26 77.641 5.964 -3.761 1.00 0.00 C ATOM 400 C VAL A 26 77.456 4.496 -3.377 1.00 0.00 C ATOM 401 O VAL A 26 76.366 3.962 -3.446 1.00 0.00 O ATOM 402 CB VAL A 26 78.256 6.055 -5.158 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.366 5.317 -6.159 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.369 7.526 -5.567 1.00 0.00 C ATOM 0 H VAL A 26 79.374 7.060 -3.181 1.00 0.00 H new ATOM 0 HA VAL A 26 76.670 6.459 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 26 79.246 5.600 -5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.806 5.383 -7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.282 4.270 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.375 5.772 -6.169 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.807 7.594 -6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.377 7.979 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 26 79.003 8.054 -4.855 1.00 0.00 H new ATOM 414 N GLN A 27 78.505 3.832 -2.971 1.00 0.00 N ATOM 415 CA GLN A 27 78.363 2.403 -2.588 1.00 0.00 C ATOM 416 C GLN A 27 77.499 2.307 -1.336 1.00 0.00 C ATOM 417 O GLN A 27 76.646 1.454 -1.226 1.00 0.00 O ATOM 418 CB GLN A 27 79.742 1.796 -2.317 1.00 0.00 C ATOM 419 CG GLN A 27 80.482 2.644 -1.281 1.00 0.00 C ATOM 420 CD GLN A 27 81.794 1.957 -0.901 1.00 0.00 C ATOM 421 OE1 GLN A 27 82.764 2.026 -1.629 1.00 0.00 O ATOM 422 NE2 GLN A 27 81.867 1.292 0.220 1.00 0.00 N ATOM 0 H GLN A 27 79.446 4.216 -2.889 1.00 0.00 H new ATOM 0 HA GLN A 27 77.891 1.852 -3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 27 79.635 0.773 -1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.318 1.749 -3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 27 80.683 3.636 -1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 27 79.861 2.779 -0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 27 81.053 1.233 0.832 1.00 0.00 H new ATOM 0 HE22 GLN A 27 82.738 0.831 0.484 1.00 0.00 H new ATOM 431 N VAL A 28 77.697 3.187 -0.398 1.00 0.00 N ATOM 432 CA VAL A 28 76.865 3.150 0.831 1.00 0.00 C ATOM 433 C VAL A 28 75.399 3.071 0.408 1.00 0.00 C ATOM 434 O VAL A 28 74.590 2.433 1.047 1.00 0.00 O ATOM 435 CB VAL A 28 77.119 4.428 1.644 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.032 4.613 2.708 1.00 0.00 C ATOM 437 CG2 VAL A 28 78.484 4.328 2.329 1.00 0.00 C ATOM 0 H VAL A 28 78.397 3.928 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 28 77.116 2.287 1.448 1.00 0.00 H new ATOM 0 HB VAL A 28 77.100 5.284 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 28 76.228 5.523 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.058 4.690 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 28 76.035 3.758 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 28 78.668 5.233 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 28 78.495 3.464 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 28 79.262 4.215 1.574 1.00 0.00 H new ATOM 447 N ALA A 29 75.047 3.700 -0.681 1.00 0.00 N ATOM 448 CA ALA A 29 73.639 3.628 -1.137 1.00 0.00 C ATOM 449 C ALA A 29 73.366 2.221 -1.657 1.00 0.00 C ATOM 450 O ALA A 29 72.334 1.638 -1.389 1.00 0.00 O ATOM 451 CB ALA A 29 73.397 4.647 -2.249 1.00 0.00 C ATOM 0 H ALA A 29 75.671 4.255 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 29 72.970 3.854 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 29 72.360 4.587 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 29 73.601 5.650 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.057 4.432 -3.089 1.00 0.00 H new ATOM 457 N LEU A 30 74.289 1.659 -2.389 1.00 0.00 N ATOM 458 CA LEU A 30 74.084 0.288 -2.904 1.00 0.00 C ATOM 459 C LEU A 30 74.264 -0.705 -1.750 1.00 0.00 C ATOM 460 O LEU A 30 74.037 -1.890 -1.894 1.00 0.00 O ATOM 461 CB LEU A 30 75.093 0.009 -4.032 1.00 0.00 C ATOM 462 CG LEU A 30 76.384 -0.597 -3.470 1.00 0.00 C ATOM 463 CD1 LEU A 30 76.247 -2.119 -3.408 1.00 0.00 C ATOM 464 CD2 LEU A 30 77.558 -0.230 -4.380 1.00 0.00 C ATOM 0 H LEU A 30 75.174 2.095 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 30 73.078 0.180 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 30 74.653 -0.673 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 30 75.320 0.935 -4.560 1.00 0.00 H new ATOM 0 HG LEU A 30 76.563 -0.206 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 30 77.165 -2.551 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 30 75.410 -2.383 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 30 76.069 -2.509 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 30 78.476 -0.661 -3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 30 77.379 -0.622 -5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 30 77.657 0.855 -4.427 1.00 0.00 H new ATOM 476 N LEU A 31 74.673 -0.224 -0.604 1.00 0.00 N ATOM 477 CA LEU A 31 74.869 -1.124 0.554 1.00 0.00 C ATOM 478 C LEU A 31 73.499 -1.365 1.197 1.00 0.00 C ATOM 479 O LEU A 31 73.232 -2.406 1.764 1.00 0.00 O ATOM 480 CB LEU A 31 75.835 -0.458 1.554 1.00 0.00 C ATOM 481 CG LEU A 31 75.055 0.305 2.621 1.00 0.00 C ATOM 482 CD1 LEU A 31 74.606 -0.666 3.714 1.00 0.00 C ATOM 483 CD2 LEU A 31 75.945 1.384 3.236 1.00 0.00 C ATOM 0 H LEU A 31 74.879 0.759 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 31 75.300 -2.076 0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 31 76.461 -1.216 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 31 76.502 0.223 1.026 1.00 0.00 H new ATOM 0 HG LEU A 31 74.182 0.773 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 31 74.049 -0.123 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 31 73.969 -1.435 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 31 75.480 -1.133 4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 31 75.385 1.927 3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 31 76.819 0.919 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.266 2.077 2.459 1.00 0.00 H new ATOM 495 N THR A 32 72.635 -0.391 1.104 1.00 0.00 N ATOM 496 CA THR A 32 71.278 -0.521 1.695 1.00 0.00 C ATOM 497 C THR A 32 70.479 -1.561 0.903 1.00 0.00 C ATOM 498 O THR A 32 69.820 -2.412 1.465 1.00 0.00 O ATOM 499 CB THR A 32 70.580 0.853 1.652 1.00 0.00 C ATOM 500 OG1 THR A 32 69.719 0.977 2.774 1.00 0.00 O ATOM 501 CG2 THR A 32 69.763 1.009 0.365 1.00 0.00 C ATOM 0 H THR A 32 72.816 0.498 0.638 1.00 0.00 H new ATOM 0 HA THR A 32 71.345 -0.851 2.732 1.00 0.00 H new ATOM 0 HB THR A 32 71.342 1.632 1.676 1.00 0.00 H new ATOM 0 HG1 THR A 32 69.275 1.850 2.751 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.280 1.986 0.357 1.00 0.00 H new ATOM 0 HG22 THR A 32 70.424 0.924 -0.498 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.004 0.228 0.319 1.00 0.00 H new ATOM 509 N LEU A 33 70.535 -1.494 -0.399 1.00 0.00 N ATOM 510 CA LEU A 33 69.780 -2.473 -1.230 1.00 0.00 C ATOM 511 C LEU A 33 70.174 -3.898 -0.833 1.00 0.00 C ATOM 512 O LEU A 33 69.351 -4.686 -0.412 1.00 0.00 O ATOM 513 CB LEU A 33 70.108 -2.248 -2.708 1.00 0.00 C ATOM 514 CG LEU A 33 68.838 -2.410 -3.543 1.00 0.00 C ATOM 515 CD1 LEU A 33 68.040 -1.105 -3.517 1.00 0.00 C ATOM 516 CD2 LEU A 33 69.218 -2.748 -4.986 1.00 0.00 C ATOM 0 H LEU A 33 71.072 -0.803 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 33 68.711 -2.335 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 33 70.525 -1.251 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.865 -2.961 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 33 68.230 -3.215 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 33 67.134 -1.220 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 33 67.770 -0.864 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 33 68.646 -0.299 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 33 68.313 -2.864 -5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 33 69.825 -1.943 -5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.786 -3.678 -5.004 1.00 0.00 H new ATOM 528 N ARG A 34 71.428 -4.236 -0.966 1.00 0.00 N ATOM 529 CA ARG A 34 71.874 -5.611 -0.600 1.00 0.00 C ATOM 530 C ARG A 34 71.392 -5.950 0.813 1.00 0.00 C ATOM 531 O ARG A 34 71.307 -7.103 1.189 1.00 0.00 O ATOM 532 CB ARG A 34 73.403 -5.678 -0.648 1.00 0.00 C ATOM 533 CG ARG A 34 73.858 -5.899 -2.092 1.00 0.00 C ATOM 534 CD ARG A 34 75.186 -5.175 -2.325 1.00 0.00 C ATOM 535 NE ARG A 34 76.301 -6.163 -2.306 1.00 0.00 N ATOM 536 CZ ARG A 34 77.455 -5.834 -1.791 1.00 0.00 C ATOM 537 NH1 ARG A 34 77.504 -5.117 -0.703 1.00 0.00 N ATOM 538 NH2 ARG A 34 78.560 -6.224 -2.368 1.00 0.00 N ATOM 0 H ARG A 34 72.163 -3.619 -1.312 1.00 0.00 H new ATOM 0 HA ARG A 34 71.454 -6.328 -1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.831 -4.754 -0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.762 -6.489 -0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 34 73.973 -6.965 -2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 34 73.102 -5.527 -2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 34 75.165 -4.653 -3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 34 75.341 -4.421 -1.554 1.00 0.00 H new ATOM 0 HE ARG A 34 76.163 -7.096 -2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 34 76.640 -4.813 -0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 34 78.406 -4.861 -0.301 1.00 0.00 H new ATOM 0 HH21 ARG A 34 78.520 -6.784 -3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 34 79.462 -5.968 -1.967 1.00 0.00 H new ATOM 552 N ILE A 35 71.075 -4.957 1.598 1.00 0.00 N ATOM 553 CA ILE A 35 70.602 -5.212 2.975 1.00 0.00 C ATOM 554 C ILE A 35 69.132 -5.647 2.922 1.00 0.00 C ATOM 555 O ILE A 35 68.734 -6.613 3.540 1.00 0.00 O ATOM 556 CB ILE A 35 70.771 -3.907 3.772 1.00 0.00 C ATOM 557 CG1 ILE A 35 71.947 -4.052 4.736 1.00 0.00 C ATOM 558 CG2 ILE A 35 69.505 -3.573 4.560 1.00 0.00 C ATOM 559 CD1 ILE A 35 73.245 -3.707 4.004 1.00 0.00 C ATOM 0 H ILE A 35 71.126 -3.973 1.336 1.00 0.00 H new ATOM 0 HA ILE A 35 71.171 -6.006 3.458 1.00 0.00 H new ATOM 0 HB ILE A 35 70.959 -3.096 3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 35 71.813 -3.392 5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 35 71.993 -5.071 5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 35 69.655 -2.646 5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 35 68.669 -3.454 3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 35 69.287 -4.381 5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 35 74.087 -3.809 4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 35 73.378 -4.385 3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.196 -2.681 3.640 1.00 0.00 H new ATOM 571 N ASN A 36 68.332 -4.922 2.195 1.00 0.00 N ATOM 572 CA ASN A 36 66.886 -5.264 2.097 1.00 0.00 C ATOM 573 C ASN A 36 66.716 -6.651 1.468 1.00 0.00 C ATOM 574 O ASN A 36 65.848 -7.410 1.852 1.00 0.00 O ATOM 575 CB ASN A 36 66.175 -4.223 1.229 1.00 0.00 C ATOM 576 CG ASN A 36 66.564 -2.819 1.694 1.00 0.00 C ATOM 577 OD1 ASN A 36 66.800 -2.598 2.866 1.00 0.00 O ATOM 578 ND2 ASN A 36 66.644 -1.854 0.820 1.00 0.00 N ATOM 0 H ASN A 36 68.618 -4.102 1.661 1.00 0.00 H new ATOM 0 HA ASN A 36 66.452 -5.269 3.097 1.00 0.00 H new ATOM 0 HB2 ASN A 36 66.447 -4.359 0.182 1.00 0.00 H new ATOM 0 HB3 ASN A 36 65.095 -4.354 1.297 1.00 0.00 H new ATOM 0 HD21 ASN A 36 66.904 -0.915 1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 36 66.446 -2.039 -0.163 1.00 0.00 H new ATOM 585 N ARG A 37 67.531 -6.990 0.504 1.00 0.00 N ATOM 586 CA ARG A 37 67.396 -8.326 -0.139 1.00 0.00 C ATOM 587 C ARG A 37 68.142 -9.377 0.676 1.00 0.00 C ATOM 588 O ARG A 37 68.318 -10.504 0.258 1.00 0.00 O ATOM 589 CB ARG A 37 67.964 -8.274 -1.554 1.00 0.00 C ATOM 590 CG ARG A 37 67.134 -9.175 -2.473 1.00 0.00 C ATOM 591 CD ARG A 37 68.049 -10.202 -3.140 1.00 0.00 C ATOM 592 NE ARG A 37 68.003 -10.021 -4.619 1.00 0.00 N ATOM 593 CZ ARG A 37 68.638 -10.853 -5.398 1.00 0.00 C ATOM 594 NH1 ARG A 37 69.938 -10.941 -5.336 1.00 0.00 N ATOM 595 NH2 ARG A 37 67.973 -11.598 -6.239 1.00 0.00 N ATOM 0 H ARG A 37 68.279 -6.402 0.137 1.00 0.00 H new ATOM 0 HA ARG A 37 66.340 -8.595 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 37 67.951 -7.249 -1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 37 69.004 -8.599 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 37 66.358 -9.682 -1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 37 66.630 -8.575 -3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 37 69.071 -10.083 -2.780 1.00 0.00 H new ATOM 0 HD3 ARG A 37 67.734 -11.212 -2.876 1.00 0.00 H new ATOM 0 HE ARG A 37 67.475 -9.247 -5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 37 70.458 -10.359 -4.679 1.00 0.00 H new ATOM 0 HH12 ARG A 37 70.435 -11.591 -5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 37 66.956 -11.530 -6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 37 68.470 -12.248 -6.848 1.00 0.00 H new ATOM 609 N LEU A 38 68.565 -9.010 1.836 1.00 0.00 N ATOM 610 CA LEU A 38 69.290 -9.959 2.716 1.00 0.00 C ATOM 611 C LEU A 38 68.287 -10.668 3.627 1.00 0.00 C ATOM 612 O LEU A 38 68.433 -11.830 3.950 1.00 0.00 O ATOM 613 CB LEU A 38 70.304 -9.194 3.569 1.00 0.00 C ATOM 614 CG LEU A 38 71.643 -9.933 3.560 1.00 0.00 C ATOM 615 CD1 LEU A 38 71.488 -11.282 4.264 1.00 0.00 C ATOM 616 CD2 LEU A 38 72.087 -10.163 2.114 1.00 0.00 C ATOM 0 H LEU A 38 68.440 -8.076 2.225 1.00 0.00 H new ATOM 0 HA LEU A 38 69.814 -10.695 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 38 70.432 -8.184 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 38 69.937 -9.099 4.591 1.00 0.00 H new ATOM 0 HG LEU A 38 72.391 -9.335 4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 38 72.443 -11.808 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 38 71.170 -11.120 5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 38 70.740 -11.880 3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 38 73.041 -10.690 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 38 71.338 -10.761 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 38 72.198 -9.203 1.610 1.00 0.00 H new ATOM 628 N SER A 39 67.268 -9.968 4.045 1.00 0.00 N ATOM 629 CA SER A 39 66.249 -10.582 4.941 1.00 0.00 C ATOM 630 C SER A 39 65.423 -11.607 4.160 1.00 0.00 C ATOM 631 O SER A 39 65.026 -12.627 4.686 1.00 0.00 O ATOM 632 CB SER A 39 65.327 -9.487 5.480 1.00 0.00 C ATOM 633 OG SER A 39 64.259 -10.086 6.202 1.00 0.00 O ATOM 0 H SER A 39 67.097 -8.992 3.803 1.00 0.00 H new ATOM 0 HA SER A 39 66.749 -11.083 5.770 1.00 0.00 H new ATOM 0 HB2 SER A 39 65.886 -8.812 6.128 1.00 0.00 H new ATOM 0 HB3 SER A 39 64.935 -8.888 4.658 1.00 0.00 H new ATOM 0 HG SER A 39 63.667 -9.387 6.550 1.00 0.00 H new ATOM 639 N GLU A 40 65.154 -11.343 2.909 1.00 0.00 N ATOM 640 CA GLU A 40 64.350 -12.299 2.103 1.00 0.00 C ATOM 641 C GLU A 40 65.274 -13.287 1.405 1.00 0.00 C ATOM 642 O GLU A 40 64.919 -13.915 0.427 1.00 0.00 O ATOM 643 CB GLU A 40 63.549 -11.534 1.059 1.00 0.00 C ATOM 644 CG GLU A 40 62.054 -11.733 1.309 1.00 0.00 C ATOM 645 CD GLU A 40 61.391 -10.376 1.558 1.00 0.00 C ATOM 646 OE1 GLU A 40 62.009 -9.372 1.245 1.00 0.00 O ATOM 647 OE2 GLU A 40 60.277 -10.365 2.056 1.00 0.00 O ATOM 0 H GLU A 40 65.458 -10.505 2.413 1.00 0.00 H new ATOM 0 HA GLU A 40 63.671 -12.841 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 40 63.797 -10.473 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 40 63.810 -11.882 0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 40 61.593 -12.222 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 40 61.902 -12.387 2.168 1.00 0.00 H new ATOM 654 N HIS A 41 66.452 -13.421 1.910 1.00 0.00 N ATOM 655 CA HIS A 41 67.432 -14.360 1.304 1.00 0.00 C ATOM 656 C HIS A 41 67.189 -15.772 1.841 1.00 0.00 C ATOM 657 O HIS A 41 66.453 -16.549 1.267 1.00 0.00 O ATOM 658 CB HIS A 41 68.852 -13.915 1.659 1.00 0.00 C ATOM 659 CG HIS A 41 69.835 -14.954 1.193 1.00 0.00 C ATOM 660 ND1 HIS A 41 70.827 -15.456 2.020 1.00 0.00 N ATOM 661 CD2 HIS A 41 69.991 -15.594 -0.011 1.00 0.00 C ATOM 662 CE1 HIS A 41 71.529 -16.358 1.310 1.00 0.00 C ATOM 663 NE2 HIS A 41 71.062 -16.480 0.065 1.00 0.00 N ATOM 0 H HIS A 41 66.790 -12.916 2.729 1.00 0.00 H new ATOM 0 HA HIS A 41 67.312 -14.360 0.221 1.00 0.00 H new ATOM 0 HB2 HIS A 41 69.072 -12.956 1.191 1.00 0.00 H new ATOM 0 HB3 HIS A 41 68.941 -13.772 2.736 1.00 0.00 H new ATOM 0 HD2 HIS A 41 69.376 -15.435 -0.885 1.00 0.00 H new ATOM 0 HE1 HIS A 41 72.368 -16.915 1.700 1.00 0.00 H new ATOM 0 HE2 HIS A 41 71.414 -17.091 -0.672 1.00 0.00 H new ATOM 671 N LEU A 42 67.808 -16.110 2.939 1.00 0.00 N ATOM 672 CA LEU A 42 67.625 -17.465 3.520 1.00 0.00 C ATOM 673 C LEU A 42 66.201 -17.606 4.068 1.00 0.00 C ATOM 674 O LEU A 42 65.797 -18.665 4.504 1.00 0.00 O ATOM 675 CB LEU A 42 68.624 -17.657 4.658 1.00 0.00 C ATOM 676 CG LEU A 42 70.002 -17.980 4.080 1.00 0.00 C ATOM 677 CD1 LEU A 42 71.073 -17.208 4.852 1.00 0.00 C ATOM 678 CD2 LEU A 42 70.267 -19.483 4.206 1.00 0.00 C ATOM 0 H LEU A 42 68.437 -15.499 3.460 1.00 0.00 H new ATOM 0 HA LEU A 42 67.789 -18.217 2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.676 -16.754 5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 42 68.295 -18.464 5.313 1.00 0.00 H new ATOM 0 HG LEU A 42 70.032 -17.691 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 42 72.056 -17.438 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.884 -16.138 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.043 -17.497 5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.249 -19.715 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 42 70.237 -19.771 5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 42 69.504 -20.034 3.657 1.00 0.00 H new ATOM 690 N LYS A 43 65.435 -16.545 4.049 1.00 0.00 N ATOM 691 CA LYS A 43 64.039 -16.618 4.567 1.00 0.00 C ATOM 692 C LYS A 43 63.103 -17.146 3.481 1.00 0.00 C ATOM 693 O LYS A 43 61.897 -17.014 3.552 1.00 0.00 O ATOM 694 CB LYS A 43 63.581 -15.229 4.994 1.00 0.00 C ATOM 695 CG LYS A 43 63.899 -15.014 6.475 1.00 0.00 C ATOM 696 CD LYS A 43 62.725 -15.503 7.326 1.00 0.00 C ATOM 697 CE LYS A 43 62.796 -14.858 8.712 1.00 0.00 C ATOM 698 NZ LYS A 43 61.703 -13.856 8.851 1.00 0.00 N ATOM 0 H LYS A 43 65.718 -15.631 3.696 1.00 0.00 H new ATOM 0 HA LYS A 43 64.014 -17.294 5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 43 64.079 -14.470 4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 43 62.510 -15.120 4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 43 64.807 -15.553 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 43 64.087 -13.958 6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 43 61.781 -15.249 6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 43 62.755 -16.589 7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 43 62.704 -15.621 9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 43 63.764 -14.377 8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 61.751 -13.418 9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 61.810 -13.122 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 60.783 -14.327 8.735 1.00 0.00 H new ATOM 712 N VAL A 44 63.665 -17.748 2.491 1.00 0.00 N ATOM 713 CA VAL A 44 62.870 -18.314 1.376 1.00 0.00 C ATOM 714 C VAL A 44 63.713 -19.392 0.693 1.00 0.00 C ATOM 715 O VAL A 44 63.223 -20.436 0.311 1.00 0.00 O ATOM 716 CB VAL A 44 62.536 -17.205 0.377 1.00 0.00 C ATOM 717 CG1 VAL A 44 62.075 -17.821 -0.946 1.00 0.00 C ATOM 718 CG2 VAL A 44 61.420 -16.328 0.947 1.00 0.00 C ATOM 0 H VAL A 44 64.673 -17.878 2.400 1.00 0.00 H new ATOM 0 HA VAL A 44 61.940 -18.744 1.747 1.00 0.00 H new ATOM 0 HB VAL A 44 63.425 -16.599 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 44 61.838 -17.027 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.870 -18.445 -1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 44 61.188 -18.430 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 44 61.180 -15.537 0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 44 60.534 -16.937 1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 44 61.750 -15.884 1.886 1.00 0.00 H new ATOM 728 N HIS A 45 64.986 -19.141 0.554 1.00 0.00 N ATOM 729 CA HIS A 45 65.891 -20.132 -0.082 1.00 0.00 C ATOM 730 C HIS A 45 65.766 -21.477 0.640 1.00 0.00 C ATOM 731 O HIS A 45 64.849 -21.697 1.405 1.00 0.00 O ATOM 732 CB HIS A 45 67.329 -19.619 0.024 1.00 0.00 C ATOM 733 CG HIS A 45 67.661 -18.807 -1.198 1.00 0.00 C ATOM 734 ND1 HIS A 45 68.850 -18.966 -1.890 1.00 0.00 N ATOM 735 CD2 HIS A 45 66.966 -17.829 -1.865 1.00 0.00 C ATOM 736 CE1 HIS A 45 68.836 -18.103 -2.924 1.00 0.00 C ATOM 737 NE2 HIS A 45 67.710 -17.385 -2.954 1.00 0.00 N ATOM 0 H HIS A 45 65.440 -18.280 0.859 1.00 0.00 H new ATOM 0 HA HIS A 45 65.622 -20.266 -1.130 1.00 0.00 H new ATOM 0 HB2 HIS A 45 67.445 -19.011 0.921 1.00 0.00 H new ATOM 0 HB3 HIS A 45 68.020 -20.457 0.116 1.00 0.00 H new ATOM 0 HD2 HIS A 45 65.990 -17.460 -1.587 1.00 0.00 H new ATOM 0 HE1 HIS A 45 69.637 -18.004 -3.641 1.00 0.00 H new ATOM 0 HE2 HIS A 45 67.451 -16.666 -3.630 1.00 0.00 H new ATOM 745 N LYS A 46 66.680 -22.376 0.403 1.00 0.00 N ATOM 746 CA LYS A 46 66.612 -23.700 1.072 1.00 0.00 C ATOM 747 C LYS A 46 67.911 -24.465 0.815 1.00 0.00 C ATOM 748 O LYS A 46 67.952 -25.393 0.030 1.00 0.00 O ATOM 749 CB LYS A 46 65.432 -24.493 0.511 1.00 0.00 C ATOM 750 CG LYS A 46 65.631 -24.702 -0.991 1.00 0.00 C ATOM 751 CD LYS A 46 64.269 -24.828 -1.675 1.00 0.00 C ATOM 752 CE LYS A 46 64.251 -26.085 -2.546 1.00 0.00 C ATOM 753 NZ LYS A 46 62.843 -26.436 -2.885 1.00 0.00 N ATOM 0 H LYS A 46 67.472 -22.248 -0.227 1.00 0.00 H new ATOM 0 HA LYS A 46 66.478 -23.561 2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 46 65.353 -25.456 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 46 64.500 -23.959 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 46 66.186 -23.865 -1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 46 66.223 -25.600 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 46 63.478 -24.879 -0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 46 64.074 -23.946 -2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 46 64.824 -25.917 -3.458 1.00 0.00 H new ATOM 0 HE3 LYS A 46 64.726 -26.912 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 62.831 -27.291 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 62.309 -26.614 -2.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 62.404 -25.649 -3.404 1.00 0.00 H new ATOM 767 N LYS A 47 68.974 -24.082 1.466 1.00 0.00 N ATOM 768 CA LYS A 47 70.271 -24.784 1.258 1.00 0.00 C ATOM 769 C LYS A 47 70.757 -24.547 -0.174 1.00 0.00 C ATOM 770 O LYS A 47 71.715 -25.146 -0.620 1.00 0.00 O ATOM 771 CB LYS A 47 70.082 -26.285 1.495 1.00 0.00 C ATOM 772 CG LYS A 47 70.604 -26.651 2.884 1.00 0.00 C ATOM 773 CD LYS A 47 71.603 -27.805 2.769 1.00 0.00 C ATOM 774 CE LYS A 47 72.419 -27.904 4.059 1.00 0.00 C ATOM 775 NZ LYS A 47 73.028 -29.261 4.159 1.00 0.00 N ATOM 0 H LYS A 47 69.000 -23.312 2.134 1.00 0.00 H new ATOM 0 HA LYS A 47 71.011 -24.397 1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 47 69.027 -26.547 1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 47 70.614 -26.854 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 47 71.083 -25.786 3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 47 69.775 -26.937 3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 47 71.074 -28.741 2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 47 72.265 -27.643 1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 47 73.199 -27.142 4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 47 71.780 -27.716 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 73.583 -29.329 5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 72.276 -29.979 4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 73.651 -29.423 3.342 1.00 0.00 H new ATOM 789 N ASP A 48 70.105 -23.677 -0.898 1.00 0.00 N ATOM 790 CA ASP A 48 70.531 -23.403 -2.295 1.00 0.00 C ATOM 791 C ASP A 48 71.802 -22.551 -2.282 1.00 0.00 C ATOM 792 O ASP A 48 72.902 -23.064 -2.223 1.00 0.00 O ATOM 793 CB ASP A 48 69.417 -22.654 -3.031 1.00 0.00 C ATOM 794 CG ASP A 48 69.939 -22.156 -4.381 1.00 0.00 C ATOM 795 OD1 ASP A 48 71.044 -22.528 -4.739 1.00 0.00 O ATOM 796 OD2 ASP A 48 69.225 -21.411 -5.031 1.00 0.00 O ATOM 0 H ASP A 48 69.295 -23.145 -0.579 1.00 0.00 H new ATOM 0 HA ASP A 48 70.732 -24.345 -2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 48 68.560 -23.311 -3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 48 69.072 -21.813 -2.430 1.00 0.00 H new ATOM 801 N HIS A 49 71.661 -21.255 -2.334 1.00 0.00 N ATOM 802 CA HIS A 49 72.858 -20.374 -2.321 1.00 0.00 C ATOM 803 C HIS A 49 73.589 -20.526 -0.986 1.00 0.00 C ATOM 804 O HIS A 49 73.037 -21.009 -0.017 1.00 0.00 O ATOM 805 CB HIS A 49 72.424 -18.918 -2.501 1.00 0.00 C ATOM 806 CG HIS A 49 72.671 -18.492 -3.922 1.00 0.00 C ATOM 807 ND1 HIS A 49 71.980 -17.445 -4.510 1.00 0.00 N ATOM 808 CD2 HIS A 49 73.531 -18.960 -4.885 1.00 0.00 C ATOM 809 CE1 HIS A 49 72.430 -17.318 -5.771 1.00 0.00 C ATOM 810 NE2 HIS A 49 73.378 -18.217 -6.051 1.00 0.00 N ATOM 0 H HIS A 49 70.766 -20.769 -2.385 1.00 0.00 H new ATOM 0 HA HIS A 49 73.525 -20.657 -3.135 1.00 0.00 H new ATOM 0 HB2 HIS A 49 71.367 -18.810 -2.256 1.00 0.00 H new ATOM 0 HB3 HIS A 49 72.977 -18.275 -1.816 1.00 0.00 H new ATOM 0 HD2 HIS A 49 74.221 -19.780 -4.757 1.00 0.00 H new ATOM 0 HE1 HIS A 49 72.069 -16.580 -6.472 1.00 0.00 H new ATOM 0 HE2 HIS A 49 73.881 -18.333 -6.931 1.00 0.00 H new ATOM 818 N HIS A 50 74.826 -20.114 -0.926 1.00 0.00 N ATOM 819 CA HIS A 50 75.590 -20.234 0.347 1.00 0.00 C ATOM 820 C HIS A 50 76.379 -18.954 0.581 1.00 0.00 C ATOM 821 O HIS A 50 77.362 -18.926 1.296 1.00 0.00 O ATOM 822 CB HIS A 50 76.553 -21.408 0.251 1.00 0.00 C ATOM 823 CG HIS A 50 75.957 -22.609 0.933 1.00 0.00 C ATOM 824 ND1 HIS A 50 75.186 -22.502 2.079 1.00 0.00 N ATOM 825 CD2 HIS A 50 76.012 -23.950 0.641 1.00 0.00 C ATOM 826 CE1 HIS A 50 74.808 -23.745 2.432 1.00 0.00 C ATOM 827 NE2 HIS A 50 75.285 -24.665 1.589 1.00 0.00 N ATOM 0 H HIS A 50 75.340 -19.700 -1.704 1.00 0.00 H new ATOM 0 HA HIS A 50 74.899 -20.396 1.174 1.00 0.00 H new ATOM 0 HB2 HIS A 50 76.760 -21.637 -0.794 1.00 0.00 H new ATOM 0 HB3 HIS A 50 77.505 -21.149 0.715 1.00 0.00 H new ATOM 0 HD2 HIS A 50 76.539 -24.384 -0.196 1.00 0.00 H new ATOM 0 HE1 HIS A 50 74.194 -23.971 3.292 1.00 0.00 H new ATOM 0 HE2 HIS A 50 75.146 -25.675 1.631 1.00 0.00 H new ATOM 835 N SER A 51 75.946 -17.902 -0.025 1.00 0.00 N ATOM 836 CA SER A 51 76.641 -16.596 0.128 1.00 0.00 C ATOM 837 C SER A 51 76.428 -16.063 1.546 1.00 0.00 C ATOM 838 O SER A 51 75.338 -16.108 2.080 1.00 0.00 O ATOM 839 CB SER A 51 76.075 -15.598 -0.882 1.00 0.00 C ATOM 840 OG SER A 51 74.995 -14.890 -0.288 1.00 0.00 O ATOM 0 H SER A 51 75.127 -17.883 -0.632 1.00 0.00 H new ATOM 0 HA SER A 51 77.708 -16.731 -0.050 1.00 0.00 H new ATOM 0 HB2 SER A 51 76.852 -14.902 -1.197 1.00 0.00 H new ATOM 0 HB3 SER A 51 75.734 -16.121 -1.776 1.00 0.00 H new ATOM 0 HG SER A 51 74.631 -14.248 -0.933 1.00 0.00 H new ATOM 846 N HIS A 52 77.463 -15.554 2.158 1.00 0.00 N ATOM 847 CA HIS A 52 77.324 -15.013 3.540 1.00 0.00 C ATOM 848 C HIS A 52 78.686 -14.527 4.033 1.00 0.00 C ATOM 849 O HIS A 52 78.799 -13.488 4.654 1.00 0.00 O ATOM 850 CB HIS A 52 76.805 -16.112 4.472 1.00 0.00 C ATOM 851 CG HIS A 52 77.880 -17.147 4.671 1.00 0.00 C ATOM 852 ND1 HIS A 52 78.953 -16.942 5.524 1.00 0.00 N ATOM 853 CD2 HIS A 52 78.060 -18.397 4.136 1.00 0.00 C ATOM 854 CE1 HIS A 52 79.724 -18.044 5.476 1.00 0.00 C ATOM 855 NE2 HIS A 52 79.224 -18.962 4.646 1.00 0.00 N ATOM 0 H HIS A 52 78.400 -15.490 1.760 1.00 0.00 H new ATOM 0 HA HIS A 52 76.619 -14.181 3.536 1.00 0.00 H new ATOM 0 HB2 HIS A 52 76.515 -15.684 5.431 1.00 0.00 H new ATOM 0 HB3 HIS A 52 75.914 -16.574 4.047 1.00 0.00 H new ATOM 0 HD2 HIS A 52 77.398 -18.871 3.426 1.00 0.00 H new ATOM 0 HE1 HIS A 52 80.636 -18.170 6.040 1.00 0.00 H new ATOM 0 HE2 HIS A 52 79.612 -19.881 4.432 1.00 0.00 H new ATOM 863 N ARG A 53 79.719 -15.273 3.764 1.00 0.00 N ATOM 864 CA ARG A 53 81.075 -14.863 4.215 1.00 0.00 C ATOM 865 C ARG A 53 81.482 -13.568 3.509 1.00 0.00 C ATOM 866 O ARG A 53 82.362 -12.857 3.953 1.00 0.00 O ATOM 867 CB ARG A 53 82.080 -15.966 3.875 1.00 0.00 C ATOM 868 CG ARG A 53 82.459 -16.723 5.148 1.00 0.00 C ATOM 869 CD ARG A 53 83.867 -16.314 5.585 1.00 0.00 C ATOM 870 NE ARG A 53 84.376 -17.287 6.591 1.00 0.00 N ATOM 871 CZ ARG A 53 85.023 -16.860 7.642 1.00 0.00 C ATOM 872 NH1 ARG A 53 86.291 -16.568 7.554 1.00 0.00 N ATOM 873 NH2 ARG A 53 84.400 -16.727 8.782 1.00 0.00 N ATOM 0 H ARG A 53 79.682 -16.153 3.249 1.00 0.00 H new ATOM 0 HA ARG A 53 81.063 -14.699 5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 53 81.649 -16.652 3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 53 82.970 -15.533 3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 53 81.743 -16.505 5.940 1.00 0.00 H new ATOM 0 HG3 ARG A 53 82.420 -17.798 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 53 84.533 -16.284 4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 53 83.851 -15.310 6.010 1.00 0.00 H new ATOM 0 HE ARG A 53 84.219 -18.286 6.459 1.00 0.00 H new ATOM 0 HH11 ARG A 53 86.778 -16.673 6.664 1.00 0.00 H new ATOM 0 HH12 ARG A 53 86.796 -16.235 8.375 1.00 0.00 H new ATOM 0 HH21 ARG A 53 83.409 -16.957 8.851 1.00 0.00 H new ATOM 0 HH22 ARG A 53 84.905 -16.394 9.603 1.00 0.00 H new ATOM 887 N GLY A 54 80.851 -13.256 2.409 1.00 0.00 N ATOM 888 CA GLY A 54 81.207 -12.008 1.676 1.00 0.00 C ATOM 889 C GLY A 54 80.053 -11.008 1.768 1.00 0.00 C ATOM 890 O GLY A 54 80.194 -9.853 1.419 1.00 0.00 O ATOM 0 H GLY A 54 80.106 -13.810 1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 54 82.113 -11.573 2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 54 81.420 -12.237 0.632 1.00 0.00 H new ATOM 894 N LEU A 55 78.912 -11.438 2.233 1.00 0.00 N ATOM 895 CA LEU A 55 77.760 -10.506 2.341 1.00 0.00 C ATOM 896 C LEU A 55 77.776 -9.825 3.707 1.00 0.00 C ATOM 897 O LEU A 55 76.750 -9.478 4.257 1.00 0.00 O ATOM 898 CB LEU A 55 76.451 -11.279 2.163 1.00 0.00 C ATOM 899 CG LEU A 55 75.976 -11.151 0.714 1.00 0.00 C ATOM 900 CD1 LEU A 55 75.537 -9.711 0.445 1.00 0.00 C ATOM 901 CD2 LEU A 55 77.121 -11.518 -0.232 1.00 0.00 C ATOM 0 H LEU A 55 78.730 -12.393 2.542 1.00 0.00 H new ATOM 0 HA LEU A 55 77.837 -9.748 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 55 76.599 -12.329 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 55 75.692 -10.890 2.842 1.00 0.00 H new ATOM 0 HG LEU A 55 75.135 -11.824 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 55 75.199 -9.621 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 55 74.721 -9.447 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 55 76.377 -9.037 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 55 76.783 -11.427 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 55 77.961 -10.844 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 55 77.435 -12.544 -0.042 1.00 0.00 H new ATOM 913 N LEU A 56 78.939 -9.632 4.255 1.00 0.00 N ATOM 914 CA LEU A 56 79.051 -8.978 5.575 1.00 0.00 C ATOM 915 C LEU A 56 79.615 -7.572 5.396 1.00 0.00 C ATOM 916 O LEU A 56 79.192 -6.629 6.035 1.00 0.00 O ATOM 917 CB LEU A 56 79.994 -9.798 6.450 1.00 0.00 C ATOM 918 CG LEU A 56 79.313 -11.109 6.838 1.00 0.00 C ATOM 919 CD1 LEU A 56 80.285 -11.972 7.645 1.00 0.00 C ATOM 920 CD2 LEU A 56 78.075 -10.808 7.686 1.00 0.00 C ATOM 0 H LEU A 56 79.827 -9.905 3.835 1.00 0.00 H new ATOM 0 HA LEU A 56 78.070 -8.915 6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 56 80.921 -10.001 5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 56 80.260 -9.235 7.344 1.00 0.00 H new ATOM 0 HG LEU A 56 79.016 -11.644 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 56 79.798 -12.907 7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 56 81.167 -12.187 7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 56 80.583 -11.438 8.547 1.00 0.00 H new ATOM 0 HD21 LEU A 56 77.588 -11.743 7.964 1.00 0.00 H new ATOM 0 HD22 LEU A 56 78.373 -10.272 8.587 1.00 0.00 H new ATOM 0 HD23 LEU A 56 77.381 -10.194 7.112 1.00 0.00 H new ATOM 932 N MET A 57 80.568 -7.433 4.526 1.00 0.00 N ATOM 933 CA MET A 57 81.179 -6.098 4.283 1.00 0.00 C ATOM 934 C MET A 57 80.075 -5.054 4.104 1.00 0.00 C ATOM 935 O MET A 57 80.179 -3.939 4.576 1.00 0.00 O ATOM 936 CB MET A 57 82.039 -6.156 3.018 1.00 0.00 C ATOM 937 CG MET A 57 82.776 -4.828 2.839 1.00 0.00 C ATOM 938 SD MET A 57 81.899 -3.810 1.627 1.00 0.00 S ATOM 939 CE MET A 57 82.171 -4.880 0.194 1.00 0.00 C ATOM 0 H MET A 57 80.956 -8.192 3.966 1.00 0.00 H new ATOM 0 HA MET A 57 81.801 -5.822 5.134 1.00 0.00 H new ATOM 0 HB2 MET A 57 82.755 -6.974 3.090 1.00 0.00 H new ATOM 0 HB3 MET A 57 81.413 -6.356 2.149 1.00 0.00 H new ATOM 0 HG2 MET A 57 82.839 -4.304 3.792 1.00 0.00 H new ATOM 0 HG3 MET A 57 83.798 -5.009 2.506 1.00 0.00 H new ATOM 0 HE1 MET A 57 82.369 -4.267 -0.685 1.00 0.00 H new ATOM 0 HE2 MET A 57 83.025 -5.531 0.383 1.00 0.00 H new ATOM 0 HE3 MET A 57 81.283 -5.488 0.020 1.00 0.00 H new ATOM 949 N MET A 58 79.016 -5.406 3.427 1.00 0.00 N ATOM 950 CA MET A 58 77.909 -4.433 3.219 1.00 0.00 C ATOM 951 C MET A 58 77.389 -3.957 4.576 1.00 0.00 C ATOM 952 O MET A 58 77.200 -2.778 4.800 1.00 0.00 O ATOM 953 CB MET A 58 76.774 -5.107 2.444 1.00 0.00 C ATOM 954 CG MET A 58 76.185 -6.243 3.282 1.00 0.00 C ATOM 955 SD MET A 58 75.168 -7.306 2.227 1.00 0.00 S ATOM 956 CE MET A 58 73.596 -7.038 3.081 1.00 0.00 C ATOM 0 H MET A 58 78.871 -6.325 3.010 1.00 0.00 H new ATOM 0 HA MET A 58 78.278 -3.579 2.651 1.00 0.00 H new ATOM 0 HB2 MET A 58 76.000 -4.378 2.206 1.00 0.00 H new ATOM 0 HB3 MET A 58 77.148 -5.496 1.497 1.00 0.00 H new ATOM 0 HG2 MET A 58 76.985 -6.825 3.739 1.00 0.00 H new ATOM 0 HG3 MET A 58 75.583 -5.836 4.094 1.00 0.00 H new ATOM 0 HE1 MET A 58 72.879 -7.797 2.769 1.00 0.00 H new ATOM 0 HE2 MET A 58 73.751 -7.105 4.158 1.00 0.00 H new ATOM 0 HE3 MET A 58 73.210 -6.050 2.831 1.00 0.00 H new ATOM 966 N VAL A 59 77.156 -4.864 5.484 1.00 0.00 N ATOM 967 CA VAL A 59 76.649 -4.464 6.824 1.00 0.00 C ATOM 968 C VAL A 59 77.678 -3.561 7.508 1.00 0.00 C ATOM 969 O VAL A 59 77.338 -2.704 8.299 1.00 0.00 O ATOM 970 CB VAL A 59 76.417 -5.711 7.677 1.00 0.00 C ATOM 971 CG1 VAL A 59 75.603 -5.338 8.918 1.00 0.00 C ATOM 972 CG2 VAL A 59 75.649 -6.751 6.859 1.00 0.00 C ATOM 0 H VAL A 59 77.295 -5.866 5.354 1.00 0.00 H new ATOM 0 HA VAL A 59 75.709 -3.924 6.710 1.00 0.00 H new ATOM 0 HB VAL A 59 77.378 -6.125 7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 59 75.438 -6.228 9.526 1.00 0.00 H new ATOM 0 HG12 VAL A 59 76.148 -4.596 9.501 1.00 0.00 H new ATOM 0 HG13 VAL A 59 74.642 -4.924 8.612 1.00 0.00 H new ATOM 0 HG21 VAL A 59 75.483 -7.641 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 59 74.689 -6.336 6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.228 -7.018 5.975 1.00 0.00 H new ATOM 982 N GLY A 60 78.934 -3.747 7.208 1.00 0.00 N ATOM 983 CA GLY A 60 79.985 -2.901 7.842 1.00 0.00 C ATOM 984 C GLY A 60 80.160 -1.614 7.033 1.00 0.00 C ATOM 985 O GLY A 60 81.260 -1.234 6.686 1.00 0.00 O ATOM 0 H GLY A 60 79.278 -4.448 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 60 79.705 -2.663 8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 60 80.928 -3.446 7.887 1.00 0.00 H new ATOM 989 N GLN A 61 79.085 -0.940 6.733 1.00 0.00 N ATOM 990 CA GLN A 61 79.190 0.320 5.951 1.00 0.00 C ATOM 991 C GLN A 61 77.965 1.184 6.213 1.00 0.00 C ATOM 992 O GLN A 61 77.600 2.037 5.428 1.00 0.00 O ATOM 993 CB GLN A 61 79.266 -0.009 4.468 1.00 0.00 C ATOM 994 CG GLN A 61 80.689 0.230 3.960 1.00 0.00 C ATOM 995 CD GLN A 61 80.909 1.729 3.743 1.00 0.00 C ATOM 996 OE1 GLN A 61 80.526 2.269 2.724 1.00 0.00 O ATOM 997 NE2 GLN A 61 81.516 2.428 4.663 1.00 0.00 N ATOM 0 H GLN A 61 78.137 -1.209 6.997 1.00 0.00 H new ATOM 0 HA GLN A 61 80.088 0.860 6.252 1.00 0.00 H new ATOM 0 HB2 GLN A 61 78.979 -1.047 4.301 1.00 0.00 H new ATOM 0 HB3 GLN A 61 78.562 0.610 3.912 1.00 0.00 H new ATOM 0 HG2 GLN A 61 81.412 -0.154 4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 61 80.849 -0.311 3.027 1.00 0.00 H new ATOM 0 HE21 GLN A 61 81.838 1.975 5.518 1.00 0.00 H new ATOM 0 HE22 GLN A 61 81.669 3.427 4.527 1.00 0.00 H new ATOM 1006 N ARG A 62 77.342 0.964 7.320 1.00 0.00 N ATOM 1007 CA ARG A 62 76.132 1.756 7.682 1.00 0.00 C ATOM 1008 C ARG A 62 76.000 1.804 9.201 1.00 0.00 C ATOM 1009 O ARG A 62 75.667 2.821 9.777 1.00 0.00 O ATOM 1010 CB ARG A 62 74.888 1.100 7.077 1.00 0.00 C ATOM 1011 CG ARG A 62 73.662 1.972 7.356 1.00 0.00 C ATOM 1012 CD ARG A 62 72.703 1.901 6.167 1.00 0.00 C ATOM 1013 NE ARG A 62 72.289 0.487 5.947 1.00 0.00 N ATOM 1014 CZ ARG A 62 71.045 0.134 6.126 1.00 0.00 C ATOM 1015 NH1 ARG A 62 70.083 0.865 5.634 1.00 0.00 N ATOM 1016 NH2 ARG A 62 70.765 -0.950 6.797 1.00 0.00 N ATOM 0 H ARG A 62 77.616 0.261 8.006 1.00 0.00 H new ATOM 0 HA ARG A 62 76.227 2.769 7.292 1.00 0.00 H new ATOM 0 HB2 ARG A 62 75.018 0.971 6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 62 74.745 0.107 7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 62 73.160 1.633 8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 62 73.968 3.004 7.528 1.00 0.00 H new ATOM 0 HD2 ARG A 62 71.827 2.523 6.355 1.00 0.00 H new ATOM 0 HD3 ARG A 62 73.186 2.293 5.272 1.00 0.00 H new ATOM 0 HE ARG A 62 72.978 -0.206 5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 62 70.303 1.712 5.110 1.00 0.00 H new ATOM 0 HH12 ARG A 62 69.111 0.590 5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 62 71.518 -1.521 7.181 1.00 0.00 H new ATOM 0 HH22 ARG A 62 69.793 -1.226 6.937 1.00 0.00 H new ATOM 1030 N ARG A 63 76.269 0.712 9.851 1.00 0.00 N ATOM 1031 CA ARG A 63 76.174 0.682 11.334 1.00 0.00 C ATOM 1032 C ARG A 63 77.254 1.590 11.926 1.00 0.00 C ATOM 1033 O ARG A 63 77.264 1.875 13.107 1.00 0.00 O ATOM 1034 CB ARG A 63 76.382 -0.750 11.830 1.00 0.00 C ATOM 1035 CG ARG A 63 75.666 -0.937 13.169 1.00 0.00 C ATOM 1036 CD ARG A 63 76.688 -0.896 14.307 1.00 0.00 C ATOM 1037 NE ARG A 63 76.955 -2.281 14.785 1.00 0.00 N ATOM 1038 CZ ARG A 63 76.591 -2.638 15.988 1.00 0.00 C ATOM 1039 NH1 ARG A 63 77.159 -2.095 17.029 1.00 0.00 N ATOM 1040 NH2 ARG A 63 75.660 -3.538 16.148 1.00 0.00 N ATOM 0 H ARG A 63 76.552 -0.167 9.418 1.00 0.00 H new ATOM 0 HA ARG A 63 75.190 1.032 11.645 1.00 0.00 H new ATOM 0 HB2 ARG A 63 75.996 -1.459 11.098 1.00 0.00 H new ATOM 0 HB3 ARG A 63 77.446 -0.956 11.943 1.00 0.00 H new ATOM 0 HG2 ARG A 63 74.921 -0.153 13.307 1.00 0.00 H new ATOM 0 HG3 ARG A 63 75.134 -1.888 13.179 1.00 0.00 H new ATOM 0 HD2 ARG A 63 77.613 -0.434 13.963 1.00 0.00 H new ATOM 0 HD3 ARG A 63 76.312 -0.283 15.126 1.00 0.00 H new ATOM 0 HE ARG A 63 77.422 -2.951 14.173 1.00 0.00 H new ATOM 0 HH11 ARG A 63 77.887 -1.392 16.904 1.00 0.00 H new ATOM 0 HH12 ARG A 63 76.875 -2.374 17.968 1.00 0.00 H new ATOM 0 HH21 ARG A 63 75.216 -3.963 15.334 1.00 0.00 H new ATOM 0 HH22 ARG A 63 75.376 -3.817 17.087 1.00 0.00 H new ATOM 1054 N ARG A 64 78.163 2.050 11.109 1.00 0.00 N ATOM 1055 CA ARG A 64 79.242 2.940 11.609 1.00 0.00 C ATOM 1056 C ARG A 64 79.926 3.615 10.420 1.00 0.00 C ATOM 1057 O ARG A 64 81.103 3.917 10.456 1.00 0.00 O ATOM 1058 CB ARG A 64 80.265 2.115 12.392 1.00 0.00 C ATOM 1059 CG ARG A 64 80.291 2.581 13.849 1.00 0.00 C ATOM 1060 CD ARG A 64 80.071 1.380 14.772 1.00 0.00 C ATOM 1061 NE ARG A 64 79.577 1.856 16.094 1.00 0.00 N ATOM 1062 CZ ARG A 64 80.414 2.028 17.081 1.00 0.00 C ATOM 1063 NH1 ARG A 64 80.893 0.996 17.718 1.00 0.00 N ATOM 1064 NH2 ARG A 64 80.772 3.234 17.429 1.00 0.00 N ATOM 0 H ARG A 64 78.202 1.844 10.111 1.00 0.00 H new ATOM 0 HA ARG A 64 78.817 3.699 12.266 1.00 0.00 H new ATOM 0 HB2 ARG A 64 80.009 1.057 12.342 1.00 0.00 H new ATOM 0 HB3 ARG A 64 81.254 2.225 11.947 1.00 0.00 H new ATOM 0 HG2 ARG A 64 81.246 3.056 14.073 1.00 0.00 H new ATOM 0 HG3 ARG A 64 79.516 3.329 14.017 1.00 0.00 H new ATOM 0 HD2 ARG A 64 79.350 0.693 14.328 1.00 0.00 H new ATOM 0 HD3 ARG A 64 81.002 0.828 14.897 1.00 0.00 H new ATOM 0 HE ARG A 64 78.584 2.048 16.228 1.00 0.00 H new ATOM 0 HH11 ARG A 64 80.614 0.054 17.445 1.00 0.00 H new ATOM 0 HH12 ARG A 64 81.547 1.131 18.489 1.00 0.00 H new ATOM 0 HH21 ARG A 64 80.398 4.041 16.930 1.00 0.00 H new ATOM 0 HH22 ARG A 64 81.426 3.369 18.200 1.00 0.00 H new ATOM 1078 N LEU A 65 79.198 3.854 9.363 1.00 0.00 N ATOM 1079 CA LEU A 65 79.802 4.507 8.171 1.00 0.00 C ATOM 1080 C LEU A 65 80.352 5.880 8.560 1.00 0.00 C ATOM 1081 O LEU A 65 81.107 6.489 7.828 1.00 0.00 O ATOM 1082 CB LEU A 65 78.736 4.673 7.085 1.00 0.00 C ATOM 1083 CG LEU A 65 77.717 5.724 7.528 1.00 0.00 C ATOM 1084 CD1 LEU A 65 77.706 6.879 6.524 1.00 0.00 C ATOM 1085 CD2 LEU A 65 76.326 5.090 7.590 1.00 0.00 C ATOM 0 H LEU A 65 78.208 3.624 9.275 1.00 0.00 H new ATOM 0 HA LEU A 65 80.614 3.887 7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 65 79.201 4.975 6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 65 78.237 3.721 6.902 1.00 0.00 H new ATOM 0 HG LEU A 65 77.989 6.102 8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 65 76.980 7.628 6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 65 78.697 7.331 6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 65 77.433 6.502 5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 65 75.599 5.838 7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 65 76.054 4.713 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 65 76.333 4.267 8.304 1.00 0.00 H new ATOM 1097 N LEU A 66 79.975 6.375 9.707 1.00 0.00 N ATOM 1098 CA LEU A 66 80.472 7.711 10.143 1.00 0.00 C ATOM 1099 C LEU A 66 82.001 7.692 10.233 1.00 0.00 C ATOM 1100 O LEU A 66 82.672 8.568 9.726 1.00 0.00 O ATOM 1101 CB LEU A 66 79.880 8.055 11.513 1.00 0.00 C ATOM 1102 CG LEU A 66 80.070 6.876 12.469 1.00 0.00 C ATOM 1103 CD1 LEU A 66 81.254 7.156 13.398 1.00 0.00 C ATOM 1104 CD2 LEU A 66 78.802 6.692 13.307 1.00 0.00 C ATOM 0 H LEU A 66 79.344 5.912 10.361 1.00 0.00 H new ATOM 0 HA LEU A 66 80.166 8.463 9.416 1.00 0.00 H new ATOM 0 HB2 LEU A 66 80.365 8.944 11.916 1.00 0.00 H new ATOM 0 HB3 LEU A 66 78.820 8.287 11.414 1.00 0.00 H new ATOM 0 HG LEU A 66 80.264 5.971 11.894 1.00 0.00 H new ATOM 0 HD11 LEU A 66 81.389 6.316 14.079 1.00 0.00 H new ATOM 0 HD12 LEU A 66 82.158 7.291 12.804 1.00 0.00 H new ATOM 0 HD13 LEU A 66 81.059 8.061 13.973 1.00 0.00 H new ATOM 0 HD21 LEU A 66 78.935 5.852 13.989 1.00 0.00 H new ATOM 0 HD22 LEU A 66 78.610 7.599 13.881 1.00 0.00 H new ATOM 0 HD23 LEU A 66 77.956 6.494 12.649 1.00 0.00 H new ATOM 1116 N ARG A 67 82.562 6.703 10.877 1.00 0.00 N ATOM 1117 CA ARG A 67 84.047 6.642 10.996 1.00 0.00 C ATOM 1118 C ARG A 67 84.682 6.722 9.605 1.00 0.00 C ATOM 1119 O ARG A 67 85.855 7.001 9.464 1.00 0.00 O ATOM 1120 CB ARG A 67 84.456 5.332 11.671 1.00 0.00 C ATOM 1121 CG ARG A 67 83.555 4.197 11.181 1.00 0.00 C ATOM 1122 CD ARG A 67 84.328 2.877 11.226 1.00 0.00 C ATOM 1123 NE ARG A 67 84.867 2.663 12.598 1.00 0.00 N ATOM 1124 CZ ARG A 67 86.143 2.451 12.773 1.00 0.00 C ATOM 1125 NH1 ARG A 67 86.780 1.625 11.989 1.00 0.00 N ATOM 1126 NH2 ARG A 67 86.782 3.064 13.731 1.00 0.00 N ATOM 0 H ARG A 67 82.058 5.937 11.324 1.00 0.00 H new ATOM 0 HA ARG A 67 84.392 7.482 11.598 1.00 0.00 H new ATOM 0 HB2 ARG A 67 85.498 5.105 11.446 1.00 0.00 H new ATOM 0 HB3 ARG A 67 84.378 5.430 12.754 1.00 0.00 H new ATOM 0 HG2 ARG A 67 82.664 4.130 11.805 1.00 0.00 H new ATOM 0 HG3 ARG A 67 83.218 4.399 10.164 1.00 0.00 H new ATOM 0 HD2 ARG A 67 83.674 2.051 10.948 1.00 0.00 H new ATOM 0 HD3 ARG A 67 85.143 2.896 10.502 1.00 0.00 H new ATOM 0 HE ARG A 67 84.239 2.682 13.401 1.00 0.00 H new ATOM 0 HH11 ARG A 67 86.281 1.145 11.240 1.00 0.00 H new ATOM 0 HH12 ARG A 67 87.777 1.459 12.125 1.00 0.00 H new ATOM 0 HH21 ARG A 67 86.284 3.710 14.344 1.00 0.00 H new ATOM 0 HH22 ARG A 67 87.779 2.898 13.867 1.00 0.00 H new ATOM 1140 N TYR A 68 83.919 6.471 8.577 1.00 0.00 N ATOM 1141 CA TYR A 68 84.478 6.530 7.202 1.00 0.00 C ATOM 1142 C TYR A 68 84.375 7.959 6.661 1.00 0.00 C ATOM 1143 O TYR A 68 85.363 8.653 6.518 1.00 0.00 O ATOM 1144 CB TYR A 68 83.689 5.586 6.292 1.00 0.00 C ATOM 1145 CG TYR A 68 84.608 4.510 5.767 1.00 0.00 C ATOM 1146 CD1 TYR A 68 85.064 3.499 6.621 1.00 0.00 C ATOM 1147 CD2 TYR A 68 85.001 4.520 4.423 1.00 0.00 C ATOM 1148 CE1 TYR A 68 85.915 2.501 6.133 1.00 0.00 C ATOM 1149 CE2 TYR A 68 85.853 3.522 3.934 1.00 0.00 C ATOM 1150 CZ TYR A 68 86.308 2.511 4.790 1.00 0.00 C ATOM 1151 OH TYR A 68 87.147 1.526 4.309 1.00 0.00 O ATOM 0 H TYR A 68 82.930 6.227 8.633 1.00 0.00 H new ATOM 0 HA TYR A 68 85.525 6.228 7.226 1.00 0.00 H new ATOM 0 HB2 TYR A 68 82.863 5.137 6.844 1.00 0.00 H new ATOM 0 HB3 TYR A 68 83.252 6.143 5.463 1.00 0.00 H new ATOM 0 HD1 TYR A 68 84.759 3.489 7.657 1.00 0.00 H new ATOM 0 HD2 TYR A 68 84.647 5.298 3.763 1.00 0.00 H new ATOM 0 HE1 TYR A 68 86.269 1.723 6.793 1.00 0.00 H new ATOM 0 HE2 TYR A 68 86.159 3.532 2.898 1.00 0.00 H new ATOM 0 HH TYR A 68 87.320 1.680 3.357 1.00 0.00 H new ATOM 1161 N LEU A 69 83.186 8.399 6.347 1.00 0.00 N ATOM 1162 CA LEU A 69 83.014 9.772 5.803 1.00 0.00 C ATOM 1163 C LEU A 69 82.882 10.781 6.945 1.00 0.00 C ATOM 1164 O LEU A 69 83.602 11.757 7.006 1.00 0.00 O ATOM 1165 CB LEU A 69 81.754 9.817 4.936 1.00 0.00 C ATOM 1166 CG LEU A 69 81.955 10.805 3.787 1.00 0.00 C ATOM 1167 CD1 LEU A 69 82.022 10.041 2.464 1.00 0.00 C ATOM 1168 CD2 LEU A 69 80.783 11.787 3.750 1.00 0.00 C ATOM 0 H LEU A 69 82.324 7.862 6.445 1.00 0.00 H new ATOM 0 HA LEU A 69 83.887 10.030 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 69 81.537 8.824 4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 69 80.896 10.115 5.539 1.00 0.00 H new ATOM 0 HG LEU A 69 82.885 11.354 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 69 82.165 10.745 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 69 82.856 9.340 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 69 81.092 9.493 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 69 80.925 12.492 2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 69 79.853 11.238 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 69 80.734 12.331 4.693 1.00 0.00 H new ATOM 1180 N GLN A 70 81.964 10.564 7.844 1.00 0.00 N ATOM 1181 CA GLN A 70 81.789 11.520 8.971 1.00 0.00 C ATOM 1182 C GLN A 70 83.150 11.816 9.608 1.00 0.00 C ATOM 1183 O GLN A 70 83.348 12.844 10.225 1.00 0.00 O ATOM 1184 CB GLN A 70 80.857 10.909 10.019 1.00 0.00 C ATOM 1185 CG GLN A 70 80.755 11.849 11.219 1.00 0.00 C ATOM 1186 CD GLN A 70 81.660 11.342 12.344 1.00 0.00 C ATOM 1187 OE1 GLN A 70 82.298 10.317 12.211 1.00 0.00 O ATOM 1188 NE2 GLN A 70 81.742 12.023 13.454 1.00 0.00 N ATOM 0 H GLN A 70 81.328 9.767 7.847 1.00 0.00 H new ATOM 0 HA GLN A 70 81.355 12.447 8.596 1.00 0.00 H new ATOM 0 HB2 GLN A 70 79.869 10.742 9.590 1.00 0.00 H new ATOM 0 HB3 GLN A 70 81.236 9.937 10.336 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.048 12.858 10.930 1.00 0.00 H new ATOM 0 HG3 GLN A 70 79.723 11.903 11.565 1.00 0.00 H new ATOM 0 HE21 GLN A 70 81.206 12.884 13.565 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.342 11.695 14.211 1.00 0.00 H new ATOM 1197 N ARG A 71 84.083 10.917 9.468 1.00 0.00 N ATOM 1198 CA ARG A 71 85.430 11.132 10.067 1.00 0.00 C ATOM 1199 C ARG A 71 86.226 12.128 9.223 1.00 0.00 C ATOM 1200 O ARG A 71 86.918 12.981 9.742 1.00 0.00 O ATOM 1201 CB ARG A 71 86.180 9.801 10.119 1.00 0.00 C ATOM 1202 CG ARG A 71 86.231 9.297 11.561 1.00 0.00 C ATOM 1203 CD ARG A 71 86.941 7.945 11.600 1.00 0.00 C ATOM 1204 NE ARG A 71 87.932 7.935 12.713 1.00 0.00 N ATOM 1205 CZ ARG A 71 88.399 6.802 13.162 1.00 0.00 C ATOM 1206 NH1 ARG A 71 87.576 5.871 13.560 1.00 0.00 N ATOM 1207 NH2 ARG A 71 89.686 6.601 13.213 1.00 0.00 N ATOM 0 H ARG A 71 83.970 10.038 8.962 1.00 0.00 H new ATOM 0 HA ARG A 71 85.313 11.530 11.075 1.00 0.00 H new ATOM 0 HB2 ARG A 71 85.683 9.067 9.484 1.00 0.00 H new ATOM 0 HB3 ARG A 71 87.191 9.926 9.731 1.00 0.00 H new ATOM 0 HG2 ARG A 71 86.757 10.015 12.191 1.00 0.00 H new ATOM 0 HG3 ARG A 71 85.221 9.202 11.961 1.00 0.00 H new ATOM 0 HD2 ARG A 71 86.214 7.145 11.739 1.00 0.00 H new ATOM 0 HD3 ARG A 71 87.443 7.758 10.651 1.00 0.00 H new ATOM 0 HE ARG A 71 88.246 8.814 13.124 1.00 0.00 H new ATOM 0 HH11 ARG A 71 86.569 6.029 13.520 1.00 0.00 H new ATOM 0 HH12 ARG A 71 87.940 4.985 13.911 1.00 0.00 H new ATOM 0 HH21 ARG A 71 90.329 7.329 12.902 1.00 0.00 H new ATOM 0 HH22 ARG A 71 90.050 5.715 13.564 1.00 0.00 H new ATOM 1221 N GLU A 72 86.140 12.027 7.923 1.00 0.00 N ATOM 1222 CA GLU A 72 86.896 12.965 7.049 1.00 0.00 C ATOM 1223 C GLU A 72 86.087 14.233 6.816 1.00 0.00 C ATOM 1224 O GLU A 72 86.342 15.001 5.910 1.00 0.00 O ATOM 1225 CB GLU A 72 87.175 12.296 5.712 1.00 0.00 C ATOM 1226 CG GLU A 72 88.246 11.224 5.893 1.00 0.00 C ATOM 1227 CD GLU A 72 88.911 10.930 4.547 1.00 0.00 C ATOM 1228 OE1 GLU A 72 88.866 11.793 3.687 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.453 9.847 4.400 1.00 0.00 O ATOM 0 H GLU A 72 85.577 11.334 7.430 1.00 0.00 H new ATOM 0 HA GLU A 72 87.835 13.225 7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.261 11.850 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.506 13.037 4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.992 11.559 6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.800 10.315 6.296 1.00 0.00 H new ATOM 1236 N ASP A 73 85.117 14.447 7.634 1.00 0.00 N ATOM 1237 CA ASP A 73 84.260 15.655 7.500 1.00 0.00 C ATOM 1238 C ASP A 73 83.007 15.478 8.364 1.00 0.00 C ATOM 1239 O ASP A 73 82.197 14.613 8.096 1.00 0.00 O ATOM 1240 CB ASP A 73 83.847 15.825 6.037 1.00 0.00 C ATOM 1241 CG ASP A 73 84.570 17.033 5.438 1.00 0.00 C ATOM 1242 OD1 ASP A 73 85.693 17.286 5.843 1.00 0.00 O ATOM 1243 OD2 ASP A 73 83.989 17.683 4.586 1.00 0.00 O ATOM 0 H ASP A 73 84.869 13.830 8.408 1.00 0.00 H new ATOM 0 HA ASP A 73 84.812 16.536 7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.091 14.925 5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 73 82.768 15.962 5.967 1.00 0.00 H new ATOM 1248 N PRO A 74 82.876 16.302 9.374 1.00 0.00 N ATOM 1249 CA PRO A 74 81.720 16.247 10.281 1.00 0.00 C ATOM 1250 C PRO A 74 80.503 16.843 9.584 1.00 0.00 C ATOM 1251 O PRO A 74 79.374 16.481 9.853 1.00 0.00 O ATOM 1252 CB PRO A 74 82.156 17.093 11.480 1.00 0.00 C ATOM 1253 CG PRO A 74 83.279 18.026 10.967 1.00 0.00 C ATOM 1254 CD PRO A 74 83.853 17.362 9.701 1.00 0.00 C ATOM 0 HA PRO A 74 81.440 15.237 10.581 1.00 0.00 H new ATOM 0 HB2 PRO A 74 81.320 17.671 11.873 1.00 0.00 H new ATOM 0 HB3 PRO A 74 82.516 16.461 12.292 1.00 0.00 H new ATOM 0 HG2 PRO A 74 82.887 19.018 10.741 1.00 0.00 H new ATOM 0 HG3 PRO A 74 84.053 18.154 11.723 1.00 0.00 H new ATOM 0 HD2 PRO A 74 83.952 18.078 8.885 1.00 0.00 H new ATOM 0 HD3 PRO A 74 84.845 16.948 9.883 1.00 0.00 H new ATOM 1262 N GLU A 75 80.731 17.736 8.668 1.00 0.00 N ATOM 1263 CA GLU A 75 79.603 18.342 7.920 1.00 0.00 C ATOM 1264 C GLU A 75 79.127 17.327 6.887 1.00 0.00 C ATOM 1265 O GLU A 75 77.948 17.187 6.627 1.00 0.00 O ATOM 1266 CB GLU A 75 80.073 19.617 7.216 1.00 0.00 C ATOM 1267 CG GLU A 75 81.031 19.249 6.081 1.00 0.00 C ATOM 1268 CD GLU A 75 81.840 20.482 5.675 1.00 0.00 C ATOM 1269 OE1 GLU A 75 81.323 21.277 4.907 1.00 0.00 O ATOM 1270 OE2 GLU A 75 82.962 20.609 6.136 1.00 0.00 O ATOM 0 H GLU A 75 81.656 18.074 8.404 1.00 0.00 H new ATOM 0 HA GLU A 75 78.792 18.601 8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 75 79.217 20.164 6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 75 80.571 20.276 7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 75 81.701 18.451 6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 75 80.470 18.871 5.226 1.00 0.00 H new ATOM 1277 N ARG A 76 80.045 16.601 6.307 1.00 0.00 N ATOM 1278 CA ARG A 76 79.661 15.576 5.306 1.00 0.00 C ATOM 1279 C ARG A 76 78.827 14.503 6.002 1.00 0.00 C ATOM 1280 O ARG A 76 78.156 13.713 5.368 1.00 0.00 O ATOM 1281 CB ARG A 76 80.919 14.944 4.708 1.00 0.00 C ATOM 1282 CG ARG A 76 81.648 15.977 3.845 1.00 0.00 C ATOM 1283 CD ARG A 76 82.893 15.341 3.225 1.00 0.00 C ATOM 1284 NE ARG A 76 82.642 15.057 1.785 1.00 0.00 N ATOM 1285 CZ ARG A 76 82.898 15.969 0.885 1.00 0.00 C ATOM 1286 NH1 ARG A 76 84.099 16.073 0.387 1.00 0.00 N ATOM 1287 NH2 ARG A 76 81.952 16.774 0.485 1.00 0.00 N ATOM 0 H ARG A 76 81.046 16.677 6.487 1.00 0.00 H new ATOM 0 HA ARG A 76 79.082 16.036 4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 76 81.575 14.591 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 76 80.652 14.075 4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 76 80.985 16.343 3.061 1.00 0.00 H new ATOM 0 HG3 ARG A 76 81.931 16.838 4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 76 83.747 16.010 3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 76 83.143 14.419 3.750 1.00 0.00 H new ATOM 0 HE ARG A 76 82.270 14.151 1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 76 84.837 15.443 0.700 1.00 0.00 H new ATOM 0 HH12 ARG A 76 84.300 16.785 -0.316 1.00 0.00 H new ATOM 0 HH21 ARG A 76 81.013 16.691 0.875 1.00 0.00 H new ATOM 0 HH22 ARG A 76 82.151 17.486 -0.218 1.00 0.00 H new ATOM 1301 N TYR A 77 78.856 14.475 7.311 1.00 0.00 N ATOM 1302 CA TYR A 77 78.061 13.465 8.053 1.00 0.00 C ATOM 1303 C TYR A 77 76.656 14.010 8.303 1.00 0.00 C ATOM 1304 O TYR A 77 76.013 13.676 9.278 1.00 0.00 O ATOM 1305 CB TYR A 77 78.721 13.166 9.397 1.00 0.00 C ATOM 1306 CG TYR A 77 77.890 12.153 10.146 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.541 10.944 9.531 1.00 0.00 C ATOM 1308 CD2 TYR A 77 77.464 12.422 11.452 1.00 0.00 C ATOM 1309 CE1 TYR A 77 76.768 10.004 10.224 1.00 0.00 C ATOM 1310 CE2 TYR A 77 76.692 11.482 12.145 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.344 10.273 11.530 1.00 0.00 C ATOM 1312 OH TYR A 77 75.582 9.346 12.212 1.00 0.00 O ATOM 0 H TYR A 77 79.399 15.112 7.894 1.00 0.00 H new ATOM 0 HA TYR A 77 78.009 12.551 7.462 1.00 0.00 H new ATOM 0 HB2 TYR A 77 79.730 12.783 9.243 1.00 0.00 H new ATOM 0 HB3 TYR A 77 78.813 14.081 9.982 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.868 10.737 8.523 1.00 0.00 H new ATOM 0 HD2 TYR A 77 77.731 13.355 11.925 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.499 9.071 9.750 1.00 0.00 H new ATOM 0 HE2 TYR A 77 76.365 11.689 13.153 1.00 0.00 H new ATOM 0 HH TYR A 77 75.373 9.688 13.106 1.00 0.00 H new ATOM 1322 N ARG A 78 76.183 14.853 7.435 1.00 0.00 N ATOM 1323 CA ARG A 78 74.832 15.438 7.619 1.00 0.00 C ATOM 1324 C ARG A 78 74.145 15.596 6.261 1.00 0.00 C ATOM 1325 O ARG A 78 73.327 16.474 6.071 1.00 0.00 O ATOM 1326 CB ARG A 78 74.957 16.815 8.284 1.00 0.00 C ATOM 1327 CG ARG A 78 76.194 16.848 9.185 1.00 0.00 C ATOM 1328 CD ARG A 78 75.954 15.969 10.413 1.00 0.00 C ATOM 1329 NE ARG A 78 75.672 16.830 11.595 1.00 0.00 N ATOM 1330 CZ ARG A 78 74.661 16.557 12.375 1.00 0.00 C ATOM 1331 NH1 ARG A 78 74.267 15.322 12.523 1.00 0.00 N ATOM 1332 NH2 ARG A 78 74.044 17.519 13.004 1.00 0.00 N ATOM 0 H ARG A 78 76.678 15.164 6.599 1.00 0.00 H new ATOM 0 HA ARG A 78 74.239 14.776 8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 78 75.030 17.591 7.522 1.00 0.00 H new ATOM 0 HB3 ARG A 78 74.063 17.028 8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 78 77.066 16.494 8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 78 76.405 17.872 9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 78 75.116 15.295 10.233 1.00 0.00 H new ATOM 0 HD3 ARG A 78 76.828 15.346 10.604 1.00 0.00 H new ATOM 0 HE ARG A 78 76.268 17.633 11.795 1.00 0.00 H new ATOM 0 HH11 ARG A 78 74.749 14.570 12.030 1.00 0.00 H new ATOM 0 HH12 ARG A 78 73.477 15.108 13.132 1.00 0.00 H new ATOM 0 HH21 ARG A 78 74.351 18.484 12.887 1.00 0.00 H new ATOM 0 HH22 ARG A 78 73.254 17.306 13.613 1.00 0.00 H new ATOM 1346 N ALA A 79 74.463 14.757 5.314 1.00 0.00 N ATOM 1347 CA ALA A 79 73.821 14.873 3.983 1.00 0.00 C ATOM 1348 C ALA A 79 73.317 13.512 3.534 1.00 0.00 C ATOM 1349 O ALA A 79 72.129 13.285 3.410 1.00 0.00 O ATOM 1350 CB ALA A 79 74.828 15.416 2.971 1.00 0.00 C ATOM 0 H ALA A 79 75.139 13.999 5.408 1.00 0.00 H new ATOM 0 HA ALA A 79 72.977 15.559 4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.353 15.500 1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.173 16.399 3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.678 14.737 2.904 1.00 0.00 H new ATOM 1356 N LEU A 80 74.205 12.600 3.307 1.00 0.00 N ATOM 1357 CA LEU A 80 73.776 11.242 2.885 1.00 0.00 C ATOM 1358 C LEU A 80 73.160 10.528 4.087 1.00 0.00 C ATOM 1359 O LEU A 80 72.698 9.410 3.988 1.00 0.00 O ATOM 1360 CB LEU A 80 74.983 10.455 2.369 1.00 0.00 C ATOM 1361 CG LEU A 80 75.870 11.370 1.525 1.00 0.00 C ATOM 1362 CD1 LEU A 80 76.961 10.540 0.848 1.00 0.00 C ATOM 1363 CD2 LEU A 80 75.019 12.060 0.457 1.00 0.00 C ATOM 0 H LEU A 80 75.213 12.732 3.394 1.00 0.00 H new ATOM 0 HA LEU A 80 73.040 11.315 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 80 75.552 10.052 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 80 74.648 9.606 1.773 1.00 0.00 H new ATOM 0 HG LEU A 80 76.330 12.122 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 80 77.594 11.192 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 80 77.567 10.047 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 80 76.501 9.788 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 80 75.650 12.713 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 80 74.559 11.308 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 80 74.240 12.652 0.938 1.00 0.00 H new ATOM 1375 N ILE A 81 73.122 11.173 5.221 1.00 0.00 N ATOM 1376 CA ILE A 81 72.507 10.528 6.403 1.00 0.00 C ATOM 1377 C ILE A 81 70.990 10.551 6.198 1.00 0.00 C ATOM 1378 O ILE A 81 70.272 9.645 6.567 1.00 0.00 O ATOM 1379 CB ILE A 81 72.928 11.265 7.701 1.00 0.00 C ATOM 1380 CG1 ILE A 81 71.779 12.116 8.254 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.129 12.159 7.442 1.00 0.00 C ATOM 1382 CD1 ILE A 81 70.858 11.224 9.086 1.00 0.00 C ATOM 0 H ILE A 81 73.489 12.112 5.375 1.00 0.00 H new ATOM 0 HA ILE A 81 72.845 9.497 6.509 1.00 0.00 H new ATOM 0 HB ILE A 81 73.190 10.505 8.437 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.172 12.927 8.867 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.222 12.574 7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.410 12.668 8.364 1.00 0.00 H new ATOM 0 HG22 ILE A 81 74.965 11.553 7.093 1.00 0.00 H new ATOM 0 HG23 ILE A 81 73.875 12.899 6.683 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.037 11.820 9.484 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.458 10.428 8.458 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.422 10.787 9.910 1.00 0.00 H new ATOM 1394 N GLU A 82 70.500 11.586 5.590 1.00 0.00 N ATOM 1395 CA GLU A 82 69.042 11.670 5.348 1.00 0.00 C ATOM 1396 C GLU A 82 68.693 11.030 3.998 1.00 0.00 C ATOM 1397 O GLU A 82 67.538 10.962 3.625 1.00 0.00 O ATOM 1398 CB GLU A 82 68.605 13.137 5.350 1.00 0.00 C ATOM 1399 CG GLU A 82 69.255 13.865 4.172 1.00 0.00 C ATOM 1400 CD GLU A 82 68.170 14.513 3.311 1.00 0.00 C ATOM 1401 OE1 GLU A 82 67.135 13.894 3.132 1.00 0.00 O ATOM 1402 OE2 GLU A 82 68.393 15.617 2.843 1.00 0.00 O ATOM 0 H GLU A 82 71.046 12.378 5.250 1.00 0.00 H new ATOM 0 HA GLU A 82 68.519 11.133 6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 82 67.519 13.204 5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 82 68.893 13.612 6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 82 69.946 14.625 4.537 1.00 0.00 H new ATOM 0 HG3 GLU A 82 69.838 13.164 3.575 1.00 0.00 H new ATOM 1409 N LYS A 83 69.666 10.565 3.253 1.00 0.00 N ATOM 1410 CA LYS A 83 69.345 9.950 1.939 1.00 0.00 C ATOM 1411 C LYS A 83 69.877 8.512 1.864 1.00 0.00 C ATOM 1412 O LYS A 83 70.216 8.031 0.801 1.00 0.00 O ATOM 1413 CB LYS A 83 69.974 10.783 0.821 1.00 0.00 C ATOM 1414 CG LYS A 83 69.369 12.189 0.833 1.00 0.00 C ATOM 1415 CD LYS A 83 70.026 13.038 -0.256 1.00 0.00 C ATOM 1416 CE LYS A 83 69.774 14.520 0.031 1.00 0.00 C ATOM 1417 NZ LYS A 83 68.432 14.906 -0.491 1.00 0.00 N ATOM 0 H LYS A 83 70.656 10.586 3.499 1.00 0.00 H new ATOM 0 HA LYS A 83 68.261 9.926 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 83 71.054 10.839 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 83 69.799 10.308 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 83 68.293 12.135 0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 83 69.518 12.652 1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 83 71.097 12.840 -0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 83 69.622 12.772 -1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 83 69.827 14.708 1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 83 70.547 15.129 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 68.260 15.913 -0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 68.398 14.741 -1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 67.700 14.333 -0.024 1.00 0.00 H new ATOM 1431 N LEU A 84 69.960 7.817 2.969 1.00 0.00 N ATOM 1432 CA LEU A 84 70.475 6.422 2.922 1.00 0.00 C ATOM 1433 C LEU A 84 69.783 5.537 3.963 1.00 0.00 C ATOM 1434 O LEU A 84 69.084 4.600 3.630 1.00 0.00 O ATOM 1435 CB LEU A 84 71.977 6.437 3.194 1.00 0.00 C ATOM 1436 CG LEU A 84 72.649 7.383 2.207 1.00 0.00 C ATOM 1437 CD1 LEU A 84 74.137 7.499 2.545 1.00 0.00 C ATOM 1438 CD2 LEU A 84 72.492 6.834 0.787 1.00 0.00 C ATOM 0 H LEU A 84 69.695 8.155 3.894 1.00 0.00 H new ATOM 0 HA LEU A 84 70.268 6.011 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 84 72.171 6.759 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 84 72.388 5.433 3.093 1.00 0.00 H new ATOM 0 HG LEU A 84 72.183 8.366 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 84 74.619 8.176 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 84 74.251 7.888 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 84 74.603 6.516 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 84 72.973 7.510 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 84 72.959 5.851 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 84 71.433 6.749 0.545 1.00 0.00 H new ATOM 1450 N GLY A 85 69.994 5.810 5.217 1.00 0.00 N ATOM 1451 CA GLY A 85 69.376 4.970 6.287 1.00 0.00 C ATOM 1452 C GLY A 85 70.364 4.868 7.450 1.00 0.00 C ATOM 1453 O GLY A 85 70.696 3.798 7.921 1.00 0.00 O ATOM 0 H GLY A 85 70.570 6.582 5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 85 68.439 5.413 6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 85 69.140 3.978 5.902 1.00 0.00 H new ATOM 1457 N ILE A 86 70.854 5.989 7.881 1.00 0.00 N ATOM 1458 CA ILE A 86 71.848 6.045 8.972 1.00 0.00 C ATOM 1459 C ILE A 86 71.141 6.104 10.338 1.00 0.00 C ATOM 1460 O ILE A 86 70.917 5.089 10.967 1.00 0.00 O ATOM 1461 CB ILE A 86 72.675 7.306 8.719 1.00 0.00 C ATOM 1462 CG1 ILE A 86 73.387 7.783 9.968 1.00 0.00 C ATOM 1463 CG2 ILE A 86 71.761 8.418 8.233 1.00 0.00 C ATOM 1464 CD1 ILE A 86 73.950 6.588 10.738 1.00 0.00 C ATOM 0 H ILE A 86 70.594 6.901 7.506 1.00 0.00 H new ATOM 0 HA ILE A 86 72.483 5.159 8.990 1.00 0.00 H new ATOM 0 HB ILE A 86 73.427 7.058 7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.193 8.465 9.699 1.00 0.00 H new ATOM 0 HG13 ILE A 86 72.696 8.340 10.600 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.348 9.318 8.052 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.274 8.110 7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.005 8.624 8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 86 74.460 6.940 11.634 1.00 0.00 H new ATOM 0 HD12 ILE A 86 73.135 5.922 11.022 1.00 0.00 H new ATOM 0 HD13 ILE A 86 74.656 6.049 10.107 1.00 0.00 H new ATOM 1476 N ARG A 87 70.788 7.271 10.802 1.00 0.00 N ATOM 1477 CA ARG A 87 70.110 7.390 12.099 1.00 0.00 C ATOM 1478 C ARG A 87 68.611 7.542 11.861 1.00 0.00 C ATOM 1479 O ARG A 87 67.987 6.734 11.203 1.00 0.00 O ATOM 1480 CB ARG A 87 70.680 8.611 12.824 1.00 0.00 C ATOM 1481 CG ARG A 87 72.166 8.388 13.110 1.00 0.00 C ATOM 1482 CD ARG A 87 72.331 7.776 14.503 1.00 0.00 C ATOM 1483 NE ARG A 87 72.335 6.288 14.395 1.00 0.00 N ATOM 1484 CZ ARG A 87 72.888 5.568 15.333 1.00 0.00 C ATOM 1485 NH1 ARG A 87 73.116 6.088 16.507 1.00 0.00 N ATOM 1486 NH2 ARG A 87 73.213 4.326 15.096 1.00 0.00 N ATOM 0 H ARG A 87 70.949 8.155 10.320 1.00 0.00 H new ATOM 0 HA ARG A 87 70.271 6.504 12.713 1.00 0.00 H new ATOM 0 HB2 ARG A 87 70.546 9.504 12.214 1.00 0.00 H new ATOM 0 HB3 ARG A 87 70.141 8.778 13.756 1.00 0.00 H new ATOM 0 HG2 ARG A 87 72.597 7.728 12.358 1.00 0.00 H new ATOM 0 HG3 ARG A 87 72.705 9.334 13.050 1.00 0.00 H new ATOM 0 HD2 ARG A 87 73.261 8.121 14.956 1.00 0.00 H new ATOM 0 HD3 ARG A 87 71.519 8.102 15.154 1.00 0.00 H new ATOM 0 HE ARG A 87 71.906 5.834 13.589 1.00 0.00 H new ATOM 0 HH11 ARG A 87 72.862 7.058 16.693 1.00 0.00 H new ATOM 0 HH12 ARG A 87 73.548 5.524 17.239 1.00 0.00 H new ATOM 0 HH21 ARG A 87 73.035 3.918 14.178 1.00 0.00 H new ATOM 0 HH22 ARG A 87 73.645 3.763 15.829 1.00 0.00 H new ATOM 1500 N GLY A 88 68.037 8.566 12.390 1.00 0.00 N ATOM 1501 CA GLY A 88 66.576 8.793 12.209 1.00 0.00 C ATOM 1502 C GLY A 88 66.329 9.502 10.877 1.00 0.00 C ATOM 1503 O GLY A 88 65.519 9.011 10.107 1.00 0.00 O ATOM 1504 OXT GLY A 88 66.952 10.526 10.649 1.00 0.00 O ATOM 0 H GLY A 88 68.516 9.272 12.950 1.00 0.00 H new ATOM 0 HA2 GLY A 88 66.044 7.842 12.230 1.00 0.00 H new ATOM 0 HA3 GLY A 88 66.186 9.394 13.030 1.00 0.00 H new TER 1508 GLY A 88