USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 62 GLN : amide:sc= -0.953 K(o=-1.8,f=-3.2) USER MOD Set 1.2: A 64 TYR OH : rot -145:sc= -0.847 USER MOD Set 2.1: A 49 THR OG1 : rot 137:sc= 0 USER MOD Set 2.2: A 54 LYS NZ :NH3+ -149:sc= -0.185 (180deg=-0.335) USER MOD Set 3.1: A 42 TYR OH : rot 180:sc= 0.108 USER MOD Set 3.2: A 56 HIS : no HE2:sc= -3.62! C(o=-3.5!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.618 K(o=-0.62,f=-2.9!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -175:sc= 0 (180deg=-0.0286) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0215) USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00253 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -4.09! K(o=-4.1!,f=-5.6) USER MOD Single : A 45 THR OG1 : rot 87:sc= 0.165 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.06 K(o=-1.1,f=-1.6!) USER MOD Single : A 67 LYS NZ :NH3+ 162:sc= -0.0393 (180deg=-0.331) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc=-0.00467 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.582 -17.403 34.185 1.00 0.00 N ATOM 2 CA GLY A 1 -15.705 -17.831 33.372 1.00 0.00 C ATOM 3 C GLY A 1 -15.309 -18.103 31.934 1.00 0.00 C ATOM 4 O GLY A 1 -14.137 -17.995 31.575 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.401 -18.109 34.927 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.737 -17.306 33.586 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.801 -16.487 34.625 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.139 -18.733 33.803 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.479 -17.064 33.394 1.00 0.00 H new ATOM 8 N SER A 2 -16.290 -18.457 31.109 1.00 0.00 N ATOM 9 CA SER A 2 -16.037 -18.751 29.703 1.00 0.00 C ATOM 10 C SER A 2 -17.334 -18.721 28.900 1.00 0.00 C ATOM 11 O SER A 2 -18.420 -18.908 29.448 1.00 0.00 O ATOM 12 CB SER A 2 -15.365 -20.117 29.558 1.00 0.00 C ATOM 13 OG SER A 2 -14.622 -20.195 28.354 1.00 0.00 O ATOM 0 H SER A 2 -17.266 -18.547 31.390 1.00 0.00 H new ATOM 0 HA SER A 2 -15.370 -17.983 29.311 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.706 -20.293 30.408 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.122 -20.901 29.573 1.00 0.00 H new ATOM 0 HG SER A 2 -14.201 -21.077 28.286 1.00 0.00 H new ATOM 19 N SER A 3 -17.211 -18.485 27.598 1.00 0.00 N ATOM 20 CA SER A 3 -18.373 -18.427 26.719 1.00 0.00 C ATOM 21 C SER A 3 -17.992 -18.796 25.289 1.00 0.00 C ATOM 22 O SER A 3 -16.977 -18.336 24.767 1.00 0.00 O ATOM 23 CB SER A 3 -18.993 -17.028 26.749 1.00 0.00 C ATOM 24 OG SER A 3 -20.387 -17.082 26.501 1.00 0.00 O ATOM 0 H SER A 3 -16.319 -18.331 27.128 1.00 0.00 H new ATOM 0 HA SER A 3 -19.106 -19.149 27.079 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.811 -16.567 27.720 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.512 -16.398 26.001 1.00 0.00 H new ATOM 0 HG SER A 3 -20.759 -16.176 26.527 1.00 0.00 H new ATOM 30 N GLY A 4 -18.814 -19.630 24.660 1.00 0.00 N ATOM 31 CA GLY A 4 -18.546 -20.048 23.296 1.00 0.00 C ATOM 32 C GLY A 4 -19.567 -19.509 22.314 1.00 0.00 C ATOM 33 O GLY A 4 -20.752 -19.408 22.633 1.00 0.00 O ATOM 0 H GLY A 4 -19.661 -20.024 25.070 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.552 -19.710 23.004 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.539 -21.137 23.248 1.00 0.00 H new ATOM 37 N SER A 5 -19.108 -19.161 21.116 1.00 0.00 N ATOM 38 CA SER A 5 -19.989 -18.624 20.086 1.00 0.00 C ATOM 39 C SER A 5 -19.783 -19.353 18.761 1.00 0.00 C ATOM 40 O SER A 5 -18.651 -19.593 18.342 1.00 0.00 O ATOM 41 CB SER A 5 -19.739 -17.126 19.901 1.00 0.00 C ATOM 42 OG SER A 5 -20.382 -16.373 20.914 1.00 0.00 O ATOM 0 H SER A 5 -18.131 -19.241 20.835 1.00 0.00 H new ATOM 0 HA SER A 5 -21.019 -18.776 20.408 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.667 -16.928 19.921 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.103 -16.811 18.923 1.00 0.00 H new ATOM 0 HG SER A 5 -20.206 -15.419 20.774 1.00 0.00 H new ATOM 48 N SER A 6 -20.887 -19.703 18.108 1.00 0.00 N ATOM 49 CA SER A 6 -20.829 -20.408 16.833 1.00 0.00 C ATOM 50 C SER A 6 -20.827 -19.424 15.667 1.00 0.00 C ATOM 51 O SER A 6 -21.237 -18.273 15.812 1.00 0.00 O ATOM 52 CB SER A 6 -22.013 -21.368 16.703 1.00 0.00 C ATOM 53 OG SER A 6 -21.987 -22.351 17.723 1.00 0.00 O ATOM 0 H SER A 6 -21.832 -19.510 18.441 1.00 0.00 H new ATOM 0 HA SER A 6 -19.902 -20.980 16.804 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.947 -20.808 16.757 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.987 -21.852 15.727 1.00 0.00 H new ATOM 0 HG SER A 6 -22.755 -22.951 17.619 1.00 0.00 H new ATOM 59 N GLY A 7 -20.362 -19.886 14.511 1.00 0.00 N ATOM 60 CA GLY A 7 -20.314 -19.035 13.337 1.00 0.00 C ATOM 61 C GLY A 7 -20.525 -19.809 12.050 1.00 0.00 C ATOM 62 O GLY A 7 -19.593 -20.418 11.525 1.00 0.00 O ATOM 0 H GLY A 7 -20.017 -20.835 14.366 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.077 -18.262 13.421 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.350 -18.528 13.299 1.00 0.00 H new ATOM 66 N SER A 8 -21.753 -19.787 11.542 1.00 0.00 N ATOM 67 CA SER A 8 -22.084 -20.497 10.313 1.00 0.00 C ATOM 68 C SER A 8 -21.256 -19.973 9.143 1.00 0.00 C ATOM 69 O SER A 8 -21.139 -18.763 8.944 1.00 0.00 O ATOM 70 CB SER A 8 -23.575 -20.352 10.001 1.00 0.00 C ATOM 71 OG SER A 8 -24.353 -21.203 10.827 1.00 0.00 O ATOM 0 H SER A 8 -22.535 -19.285 11.963 1.00 0.00 H new ATOM 0 HA SER A 8 -21.851 -21.552 10.458 1.00 0.00 H new ATOM 0 HB2 SER A 8 -23.882 -19.317 10.148 1.00 0.00 H new ATOM 0 HB3 SER A 8 -23.756 -20.592 8.953 1.00 0.00 H new ATOM 0 HG SER A 8 -25.302 -21.091 10.610 1.00 0.00 H new ATOM 77 N ILE A 9 -20.683 -20.892 8.373 1.00 0.00 N ATOM 78 CA ILE A 9 -19.867 -20.524 7.223 1.00 0.00 C ATOM 79 C ILE A 9 -20.606 -20.791 5.916 1.00 0.00 C ATOM 80 O ILE A 9 -21.624 -21.482 5.897 1.00 0.00 O ATOM 81 CB ILE A 9 -18.532 -21.292 7.211 1.00 0.00 C ATOM 82 CG1 ILE A 9 -18.786 -22.797 7.109 1.00 0.00 C ATOM 83 CG2 ILE A 9 -17.724 -20.969 8.459 1.00 0.00 C ATOM 84 CD1 ILE A 9 -18.861 -23.302 5.685 1.00 0.00 C ATOM 0 H ILE A 9 -20.769 -21.897 8.525 1.00 0.00 H new ATOM 0 HA ILE A 9 -19.662 -19.457 7.310 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.957 -20.979 6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -17.991 -23.328 7.633 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -19.719 -23.035 7.620 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.783 -21.519 8.436 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -17.518 -19.899 8.492 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.291 -21.257 9.344 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -19.043 -24.377 5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -19.674 -22.798 5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.920 -23.095 5.176 1.00 0.00 H new ATOM 96 N GLY A 10 -20.085 -20.239 4.824 1.00 0.00 N ATOM 97 CA GLY A 10 -20.707 -20.431 3.527 1.00 0.00 C ATOM 98 C GLY A 10 -21.536 -19.236 3.100 1.00 0.00 C ATOM 99 O GLY A 10 -22.704 -19.379 2.739 1.00 0.00 O ATOM 0 H GLY A 10 -19.244 -19.663 4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -19.935 -20.619 2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.341 -21.317 3.559 1.00 0.00 H new ATOM 103 N ASN A 11 -20.932 -18.053 3.142 1.00 0.00 N ATOM 104 CA ASN A 11 -21.623 -16.828 2.757 1.00 0.00 C ATOM 105 C ASN A 11 -20.638 -15.791 2.228 1.00 0.00 C ATOM 106 O ASN A 11 -19.743 -15.346 2.946 1.00 0.00 O ATOM 107 CB ASN A 11 -22.391 -16.255 3.950 1.00 0.00 C ATOM 108 CG ASN A 11 -21.476 -15.872 5.097 1.00 0.00 C ATOM 109 OD1 ASN A 11 -20.585 -16.633 5.475 1.00 0.00 O ATOM 110 ND2 ASN A 11 -21.693 -14.688 5.657 1.00 0.00 N ATOM 0 H ASN A 11 -19.966 -17.917 3.439 1.00 0.00 H new ATOM 0 HA ASN A 11 -22.328 -17.073 1.962 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -22.953 -15.378 3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -23.117 -16.990 4.298 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -21.109 -14.376 6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -22.443 -14.090 5.311 1.00 0.00 H new ATOM 117 N ALA A 12 -20.809 -15.410 0.966 1.00 0.00 N ATOM 118 CA ALA A 12 -19.937 -14.424 0.340 1.00 0.00 C ATOM 119 C ALA A 12 -20.746 -13.288 -0.276 1.00 0.00 C ATOM 120 O ALA A 12 -21.961 -13.397 -0.438 1.00 0.00 O ATOM 121 CB ALA A 12 -19.063 -15.085 -0.715 1.00 0.00 C ATOM 0 H ALA A 12 -21.544 -15.770 0.357 1.00 0.00 H new ATOM 0 HA ALA A 12 -19.296 -14.001 1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -18.417 -14.336 -1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -18.450 -15.856 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -19.695 -15.537 -1.480 1.00 0.00 H new ATOM 127 N GLN A 13 -20.065 -12.199 -0.617 1.00 0.00 N ATOM 128 CA GLN A 13 -20.722 -11.042 -1.214 1.00 0.00 C ATOM 129 C GLN A 13 -20.101 -10.701 -2.565 1.00 0.00 C ATOM 130 O GLN A 13 -18.998 -11.146 -2.884 1.00 0.00 O ATOM 131 CB GLN A 13 -20.630 -9.837 -0.278 1.00 0.00 C ATOM 132 CG GLN A 13 -21.777 -9.750 0.716 1.00 0.00 C ATOM 133 CD GLN A 13 -21.484 -10.481 2.011 1.00 0.00 C ATOM 134 OE1 GLN A 13 -21.818 -11.657 2.163 1.00 0.00 O ATOM 135 NE2 GLN A 13 -20.857 -9.788 2.954 1.00 0.00 N ATOM 0 H GLN A 13 -19.058 -12.093 -0.490 1.00 0.00 H new ATOM 0 HA GLN A 13 -21.772 -11.292 -1.370 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -19.689 -9.884 0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -20.607 -8.925 -0.874 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -21.985 -8.702 0.934 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -22.677 -10.167 0.264 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -20.599 -8.816 2.786 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -20.634 -10.228 3.847 1.00 0.00 H new ATOM 144 N LYS A 14 -20.817 -9.908 -3.356 1.00 0.00 N ATOM 145 CA LYS A 14 -20.337 -9.505 -4.672 1.00 0.00 C ATOM 146 C LYS A 14 -19.388 -8.315 -4.565 1.00 0.00 C ATOM 147 O LYS A 14 -19.132 -7.621 -5.549 1.00 0.00 O ATOM 148 CB LYS A 14 -21.516 -9.150 -5.581 1.00 0.00 C ATOM 149 CG LYS A 14 -22.533 -10.269 -5.722 1.00 0.00 C ATOM 150 CD LYS A 14 -23.275 -10.184 -7.045 1.00 0.00 C ATOM 151 CE LYS A 14 -22.563 -10.971 -8.134 1.00 0.00 C ATOM 152 NZ LYS A 14 -23.139 -10.701 -9.481 1.00 0.00 N ATOM 0 H LYS A 14 -21.732 -9.532 -3.108 1.00 0.00 H new ATOM 0 HA LYS A 14 -19.792 -10.344 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -22.015 -8.265 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -21.137 -8.888 -6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -22.028 -11.232 -5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -23.247 -10.219 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -24.288 -10.567 -6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.364 -9.141 -7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -21.504 -10.714 -8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -22.633 -12.037 -7.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -22.626 -11.256 -10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -24.144 -10.970 -9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -23.050 -9.688 -9.700 1.00 0.00 H new ATOM 166 N LEU A 15 -18.868 -8.086 -3.364 1.00 0.00 N ATOM 167 CA LEU A 15 -17.946 -6.980 -3.128 1.00 0.00 C ATOM 168 C LEU A 15 -16.617 -7.488 -2.576 1.00 0.00 C ATOM 169 O LEU A 15 -16.570 -8.372 -1.720 1.00 0.00 O ATOM 170 CB LEU A 15 -18.563 -5.973 -2.156 1.00 0.00 C ATOM 171 CG LEU A 15 -19.970 -5.482 -2.503 1.00 0.00 C ATOM 172 CD1 LEU A 15 -20.504 -4.577 -1.404 1.00 0.00 C ATOM 173 CD2 LEU A 15 -19.967 -4.757 -3.840 1.00 0.00 C ATOM 0 H LEU A 15 -19.069 -8.651 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 15 -17.758 -6.486 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.592 -6.425 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.903 -5.108 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 15 -20.627 -6.348 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -21.506 -4.237 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -20.543 -5.129 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -19.846 -3.715 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -20.976 -4.415 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.296 -3.900 -3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -19.627 -5.436 -4.622 1.00 0.00 H new ATOM 185 N PRO A 16 -15.512 -6.915 -3.074 1.00 0.00 N ATOM 186 CA PRO A 16 -14.162 -7.292 -2.642 1.00 0.00 C ATOM 187 C PRO A 16 -13.866 -6.850 -1.213 1.00 0.00 C ATOM 188 O PRO A 16 -13.770 -5.656 -0.930 1.00 0.00 O ATOM 189 CB PRO A 16 -13.255 -6.552 -3.629 1.00 0.00 C ATOM 190 CG PRO A 16 -14.064 -5.389 -4.088 1.00 0.00 C ATOM 191 CD PRO A 16 -15.494 -5.855 -4.096 1.00 0.00 C ATOM 0 HA PRO A 16 -14.021 -8.373 -2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.331 -6.227 -3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.973 -7.193 -4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.935 -4.537 -3.421 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.754 -5.066 -5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.182 -5.046 -3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.788 -6.235 -5.075 1.00 0.00 H new ATOM 199 N MET A 17 -13.721 -7.821 -0.317 1.00 0.00 N ATOM 200 CA MET A 17 -13.434 -7.531 1.083 1.00 0.00 C ATOM 201 C MET A 17 -12.069 -6.866 1.232 1.00 0.00 C ATOM 202 O MET A 17 -11.038 -7.469 0.933 1.00 0.00 O ATOM 203 CB MET A 17 -13.481 -8.816 1.912 1.00 0.00 C ATOM 204 CG MET A 17 -14.878 -9.179 2.391 1.00 0.00 C ATOM 205 SD MET A 17 -14.859 -10.195 3.880 1.00 0.00 S ATOM 206 CE MET A 17 -16.137 -9.398 4.850 1.00 0.00 C ATOM 0 H MET A 17 -13.797 -8.814 -0.535 1.00 0.00 H new ATOM 0 HA MET A 17 -14.196 -6.843 1.449 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.085 -9.638 1.316 1.00 0.00 H new ATOM 0 HB3 MET A 17 -12.827 -8.705 2.777 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.440 -8.266 2.586 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.403 -9.713 1.598 1.00 0.00 H new ATOM 0 HE1 MET A 17 -16.184 -9.857 5.838 1.00 0.00 H new ATOM 0 HE2 MET A 17 -15.907 -8.337 4.953 1.00 0.00 H new ATOM 0 HE3 MET A 17 -17.099 -9.514 4.350 1.00 0.00 H new ATOM 216 N CYS A 18 -12.070 -5.620 1.694 1.00 0.00 N ATOM 217 CA CYS A 18 -10.833 -4.873 1.882 1.00 0.00 C ATOM 218 C CYS A 18 -9.886 -5.614 2.821 1.00 0.00 C ATOM 219 O CYS A 18 -10.321 -6.250 3.782 1.00 0.00 O ATOM 220 CB CYS A 18 -11.133 -3.479 2.438 1.00 0.00 C ATOM 221 SG CYS A 18 -9.666 -2.593 3.054 1.00 0.00 S ATOM 0 H CYS A 18 -12.915 -5.106 1.945 1.00 0.00 H new ATOM 0 HA CYS A 18 -10.348 -4.773 0.911 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -11.604 -2.882 1.657 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.856 -3.571 3.249 1.00 0.00 H new ATOM 226 N ASP A 19 -8.592 -5.527 2.538 1.00 0.00 N ATOM 227 CA ASP A 19 -7.583 -6.188 3.358 1.00 0.00 C ATOM 228 C ASP A 19 -7.291 -5.379 4.618 1.00 0.00 C ATOM 229 O ASP A 19 -7.055 -5.940 5.688 1.00 0.00 O ATOM 230 CB ASP A 19 -6.296 -6.390 2.557 1.00 0.00 C ATOM 231 CG ASP A 19 -5.418 -7.482 3.136 1.00 0.00 C ATOM 232 OD1 ASP A 19 -5.972 -8.480 3.643 1.00 0.00 O ATOM 233 OD2 ASP A 19 -4.179 -7.339 3.083 1.00 0.00 O ATOM 0 H ASP A 19 -8.216 -5.005 1.746 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.973 -7.161 3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.549 -6.639 1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.737 -5.454 2.531 1.00 0.00 H new ATOM 238 N LYS A 20 -7.308 -4.057 4.483 1.00 0.00 N ATOM 239 CA LYS A 20 -7.046 -3.169 5.609 1.00 0.00 C ATOM 240 C LYS A 20 -8.052 -3.403 6.732 1.00 0.00 C ATOM 241 O LYS A 20 -7.684 -3.809 7.835 1.00 0.00 O ATOM 242 CB LYS A 20 -7.100 -1.708 5.157 1.00 0.00 C ATOM 243 CG LYS A 20 -6.346 -0.760 6.073 1.00 0.00 C ATOM 244 CD LYS A 20 -4.903 -0.586 5.629 1.00 0.00 C ATOM 245 CE LYS A 20 -4.318 0.723 6.137 1.00 0.00 C ATOM 246 NZ LYS A 20 -4.031 0.673 7.597 1.00 0.00 N ATOM 0 H LYS A 20 -7.501 -3.577 3.604 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.048 -3.388 5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.688 -1.632 4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.142 -1.392 5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.844 0.210 6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.370 -1.142 7.093 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.305 -1.420 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.850 -0.611 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.399 0.945 5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.014 1.536 5.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.526 1.537 7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.925 0.605 8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.441 -0.158 7.807 1.00 0.00 H new ATOM 260 N CYS A 21 -9.323 -3.145 6.444 1.00 0.00 N ATOM 261 CA CYS A 21 -10.383 -3.328 7.428 1.00 0.00 C ATOM 262 C CYS A 21 -11.062 -4.682 7.251 1.00 0.00 C ATOM 263 O CYS A 21 -10.917 -5.576 8.084 1.00 0.00 O ATOM 264 CB CYS A 21 -11.417 -2.206 7.309 1.00 0.00 C ATOM 265 SG CYS A 21 -11.648 -1.585 5.613 1.00 0.00 S ATOM 0 H CYS A 21 -9.644 -2.808 5.536 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.933 -3.295 8.420 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.374 -2.567 7.686 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.114 -1.378 7.950 1.00 0.00 H new ATOM 270 N GLY A 22 -11.805 -4.827 6.157 1.00 0.00 N ATOM 271 CA GLY A 22 -12.496 -6.075 5.890 1.00 0.00 C ATOM 272 C GLY A 22 -13.977 -5.874 5.635 1.00 0.00 C ATOM 273 O GLY A 22 -14.818 -6.464 6.315 1.00 0.00 O ATOM 0 H GLY A 22 -11.940 -4.103 5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.044 -6.559 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.364 -6.748 6.737 1.00 0.00 H new ATOM 277 N THR A 23 -14.299 -5.038 4.653 1.00 0.00 N ATOM 278 CA THR A 23 -15.689 -4.759 4.312 1.00 0.00 C ATOM 279 C THR A 23 -15.871 -4.642 2.803 1.00 0.00 C ATOM 280 O THR A 23 -15.121 -3.936 2.130 1.00 0.00 O ATOM 281 CB THR A 23 -16.181 -3.462 4.980 1.00 0.00 C ATOM 282 OG1 THR A 23 -15.205 -2.427 4.819 1.00 0.00 O ATOM 283 CG2 THR A 23 -16.452 -3.685 6.460 1.00 0.00 C ATOM 0 H THR A 23 -13.616 -4.542 4.080 1.00 0.00 H new ATOM 0 HA THR A 23 -16.281 -5.596 4.683 1.00 0.00 H new ATOM 0 HB THR A 23 -17.111 -3.161 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.526 -1.605 5.245 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.798 -2.755 6.911 1.00 0.00 H new ATOM 0 HG22 THR A 23 -17.217 -4.452 6.578 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.535 -4.008 6.953 1.00 0.00 H new ATOM 291 N GLY A 24 -16.875 -5.337 2.277 1.00 0.00 N ATOM 292 CA GLY A 24 -17.139 -5.296 0.850 1.00 0.00 C ATOM 293 C GLY A 24 -17.087 -3.888 0.292 1.00 0.00 C ATOM 294 O GLY A 24 -17.804 -3.002 0.757 1.00 0.00 O ATOM 0 H GLY A 24 -17.510 -5.928 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.409 -5.917 0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -18.121 -5.726 0.653 1.00 0.00 H new ATOM 298 N ILE A 25 -16.236 -3.681 -0.707 1.00 0.00 N ATOM 299 CA ILE A 25 -16.093 -2.370 -1.329 1.00 0.00 C ATOM 300 C ILE A 25 -17.154 -2.152 -2.402 1.00 0.00 C ATOM 301 O ILE A 25 -17.677 -3.107 -2.977 1.00 0.00 O ATOM 302 CB ILE A 25 -14.698 -2.195 -1.960 1.00 0.00 C ATOM 303 CG1 ILE A 25 -13.614 -2.678 -0.994 1.00 0.00 C ATOM 304 CG2 ILE A 25 -14.468 -0.740 -2.339 1.00 0.00 C ATOM 305 CD1 ILE A 25 -12.373 -3.193 -1.688 1.00 0.00 C ATOM 0 H ILE A 25 -15.635 -4.404 -1.103 1.00 0.00 H new ATOM 0 HA ILE A 25 -16.221 -1.630 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 25 -14.646 -2.799 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -13.336 -1.858 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -14.024 -3.469 -0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -13.479 -0.632 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -15.225 -0.427 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.535 -0.117 -1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.648 -3.518 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.637 -4.034 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.939 -2.398 -2.294 1.00 0.00 H new ATOM 317 N VAL A 26 -17.467 -0.888 -2.669 1.00 0.00 N ATOM 318 CA VAL A 26 -18.465 -0.544 -3.675 1.00 0.00 C ATOM 319 C VAL A 26 -17.874 0.368 -4.745 1.00 0.00 C ATOM 320 O VAL A 26 -17.391 1.460 -4.448 1.00 0.00 O ATOM 321 CB VAL A 26 -19.685 0.151 -3.042 1.00 0.00 C ATOM 322 CG1 VAL A 26 -19.257 1.406 -2.297 1.00 0.00 C ATOM 323 CG2 VAL A 26 -20.722 0.479 -4.105 1.00 0.00 C ATOM 0 H VAL A 26 -17.044 -0.085 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.787 -1.479 -4.134 1.00 0.00 H new ATOM 0 HB VAL A 26 -20.139 -0.532 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -20.132 1.884 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -18.554 1.139 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -18.778 2.096 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -21.577 0.970 -3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -20.283 1.144 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -21.050 -0.441 -4.589 1.00 0.00 H new ATOM 333 N GLY A 27 -17.915 -0.089 -5.993 1.00 0.00 N ATOM 334 CA GLY A 27 -17.381 0.698 -7.089 1.00 0.00 C ATOM 335 C GLY A 27 -15.866 0.676 -7.134 1.00 0.00 C ATOM 336 O GLY A 27 -15.248 -0.381 -7.001 1.00 0.00 O ATOM 0 H GLY A 27 -18.308 -0.990 -6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -17.775 0.317 -8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -17.724 1.728 -6.993 1.00 0.00 H new ATOM 340 N VAL A 28 -15.264 1.846 -7.322 1.00 0.00 N ATOM 341 CA VAL A 28 -13.812 1.958 -7.385 1.00 0.00 C ATOM 342 C VAL A 28 -13.159 1.334 -6.156 1.00 0.00 C ATOM 343 O VAL A 28 -13.589 1.567 -5.026 1.00 0.00 O ATOM 344 CB VAL A 28 -13.366 3.428 -7.498 1.00 0.00 C ATOM 345 CG1 VAL A 28 -14.029 4.272 -6.421 1.00 0.00 C ATOM 346 CG2 VAL A 28 -11.851 3.533 -7.412 1.00 0.00 C ATOM 0 H VAL A 28 -15.760 2.730 -7.433 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.492 1.419 -8.277 1.00 0.00 H new ATOM 0 HB VAL A 28 -13.679 3.811 -8.469 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.702 5.307 -6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.112 4.222 -6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.749 3.893 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.554 4.578 -7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.512 3.133 -6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.400 2.963 -8.224 1.00 0.00 H new ATOM 356 N PHE A 29 -12.118 0.540 -6.385 1.00 0.00 N ATOM 357 CA PHE A 29 -11.406 -0.119 -5.296 1.00 0.00 C ATOM 358 C PHE A 29 -10.095 -0.723 -5.792 1.00 0.00 C ATOM 359 O PHE A 29 -9.962 -1.068 -6.966 1.00 0.00 O ATOM 360 CB PHE A 29 -12.280 -1.209 -4.672 1.00 0.00 C ATOM 361 CG PHE A 29 -12.577 -2.347 -5.606 1.00 0.00 C ATOM 362 CD1 PHE A 29 -11.557 -3.160 -6.074 1.00 0.00 C ATOM 363 CD2 PHE A 29 -13.875 -2.602 -6.017 1.00 0.00 C ATOM 364 CE1 PHE A 29 -11.827 -4.209 -6.934 1.00 0.00 C ATOM 365 CE2 PHE A 29 -14.151 -3.650 -6.876 1.00 0.00 C ATOM 366 CZ PHE A 29 -13.126 -4.453 -7.336 1.00 0.00 C ATOM 0 H PHE A 29 -11.749 0.337 -7.314 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.177 0.630 -4.538 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.782 -1.599 -3.784 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -13.219 -0.766 -4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.540 -2.972 -5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -14.680 -1.976 -5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.024 -4.836 -7.291 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -15.168 -3.840 -7.187 1.00 0.00 H new ATOM 0 HZ PHE A 29 -13.340 -5.270 -8.009 1.00 0.00 H new ATOM 376 N VAL A 30 -9.129 -0.847 -4.887 1.00 0.00 N ATOM 377 CA VAL A 30 -7.828 -1.410 -5.231 1.00 0.00 C ATOM 378 C VAL A 30 -7.904 -2.927 -5.365 1.00 0.00 C ATOM 379 O VAL A 30 -8.508 -3.606 -4.534 1.00 0.00 O ATOM 380 CB VAL A 30 -6.765 -1.052 -4.175 1.00 0.00 C ATOM 381 CG1 VAL A 30 -7.207 0.155 -3.361 1.00 0.00 C ATOM 382 CG2 VAL A 30 -6.489 -2.244 -3.271 1.00 0.00 C ATOM 0 H VAL A 30 -9.222 -0.566 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.539 -0.977 -6.189 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.839 -0.794 -4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.444 0.393 -2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.349 1.009 -4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.146 -0.071 -2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.736 -1.973 -2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.408 -2.536 -2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.125 -3.079 -3.870 1.00 0.00 H new ATOM 392 N LYS A 31 -7.287 -3.454 -6.417 1.00 0.00 N ATOM 393 CA LYS A 31 -7.281 -4.891 -6.661 1.00 0.00 C ATOM 394 C LYS A 31 -5.863 -5.448 -6.601 1.00 0.00 C ATOM 395 O LYS A 31 -5.086 -5.299 -7.545 1.00 0.00 O ATOM 396 CB LYS A 31 -7.905 -5.200 -8.024 1.00 0.00 C ATOM 397 CG LYS A 31 -8.390 -6.633 -8.160 1.00 0.00 C ATOM 398 CD LYS A 31 -7.276 -7.558 -8.620 1.00 0.00 C ATOM 399 CE LYS A 31 -7.555 -9.002 -8.233 1.00 0.00 C ATOM 400 NZ LYS A 31 -8.310 -9.725 -9.293 1.00 0.00 N ATOM 0 H LYS A 31 -6.784 -2.906 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.873 -5.369 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.743 -4.524 -8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.171 -4.998 -8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.779 -6.979 -7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.214 -6.673 -8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.165 -7.485 -9.702 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.331 -7.238 -8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.612 -9.516 -8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.123 -9.025 -7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.480 -10.705 -8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.221 -9.250 -9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.757 -9.725 -10.174 1.00 0.00 H new ATOM 414 N LEU A 32 -5.531 -6.091 -5.487 1.00 0.00 N ATOM 415 CA LEU A 32 -4.205 -6.672 -5.305 1.00 0.00 C ATOM 416 C LEU A 32 -4.108 -8.032 -5.990 1.00 0.00 C ATOM 417 O LEU A 32 -5.118 -8.608 -6.395 1.00 0.00 O ATOM 418 CB LEU A 32 -3.890 -6.816 -3.815 1.00 0.00 C ATOM 419 CG LEU A 32 -3.741 -5.511 -3.032 1.00 0.00 C ATOM 420 CD1 LEU A 32 -3.684 -5.789 -1.538 1.00 0.00 C ATOM 421 CD2 LEU A 32 -2.499 -4.757 -3.484 1.00 0.00 C ATOM 0 H LEU A 32 -6.161 -6.223 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.476 -6.002 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.681 -7.406 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.966 -7.385 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.613 -4.888 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.578 -4.849 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.602 -6.286 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.831 -6.432 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.409 -3.831 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.617 -5.374 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.581 -4.525 -4.546 1.00 0.00 H new ATOM 433 N ARG A 33 -2.886 -8.539 -6.115 1.00 0.00 N ATOM 434 CA ARG A 33 -2.656 -9.831 -6.750 1.00 0.00 C ATOM 435 C ARG A 33 -3.833 -10.772 -6.508 1.00 0.00 C ATOM 436 O ARG A 33 -4.626 -11.036 -7.412 1.00 0.00 O ATOM 437 CB ARG A 33 -1.367 -10.462 -6.221 1.00 0.00 C ATOM 438 CG ARG A 33 -0.121 -10.023 -6.972 1.00 0.00 C ATOM 439 CD ARG A 33 0.529 -8.816 -6.316 1.00 0.00 C ATOM 440 NE ARG A 33 1.195 -7.956 -7.290 1.00 0.00 N ATOM 441 CZ ARG A 33 2.419 -8.182 -7.755 1.00 0.00 C ATOM 442 NH1 ARG A 33 3.106 -9.237 -7.338 1.00 0.00 N ATOM 443 NH2 ARG A 33 2.957 -7.354 -8.641 1.00 0.00 N ATOM 0 H ARG A 33 -2.040 -8.075 -5.785 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.558 -9.668 -7.823 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.254 -10.208 -5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.453 -11.547 -6.280 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.592 -10.847 -7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.382 -9.782 -8.002 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.229 -8.241 -5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.254 -9.153 -5.575 1.00 0.00 H new ATOM 0 HE ARG A 33 0.693 -7.137 -7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.695 -9.877 -6.659 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.045 -9.408 -7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.431 -6.543 -8.966 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.897 -7.529 -8.997 1.00 0.00 H new ATOM 457 N ASP A 34 -3.938 -11.276 -5.284 1.00 0.00 N ATOM 458 CA ASP A 34 -5.018 -12.188 -4.922 1.00 0.00 C ATOM 459 C ASP A 34 -5.890 -11.588 -3.823 1.00 0.00 C ATOM 460 O ASP A 34 -6.774 -12.256 -3.286 1.00 0.00 O ATOM 461 CB ASP A 34 -4.448 -13.530 -4.462 1.00 0.00 C ATOM 462 CG ASP A 34 -5.531 -14.551 -4.174 1.00 0.00 C ATOM 463 OD1 ASP A 34 -6.424 -14.726 -5.029 1.00 0.00 O ATOM 464 OD2 ASP A 34 -5.485 -15.176 -3.094 1.00 0.00 O ATOM 0 H ASP A 34 -3.289 -11.069 -4.525 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.637 -12.348 -5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.780 -13.920 -5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.848 -13.378 -3.565 1.00 0.00 H new ATOM 469 N ARG A 35 -5.634 -10.326 -3.494 1.00 0.00 N ATOM 470 CA ARG A 35 -6.395 -9.638 -2.458 1.00 0.00 C ATOM 471 C ARG A 35 -6.950 -8.316 -2.979 1.00 0.00 C ATOM 472 O ARG A 35 -6.655 -7.905 -4.102 1.00 0.00 O ATOM 473 CB ARG A 35 -5.515 -9.386 -1.232 1.00 0.00 C ATOM 474 CG ARG A 35 -5.318 -10.616 -0.361 1.00 0.00 C ATOM 475 CD ARG A 35 -6.433 -10.756 0.664 1.00 0.00 C ATOM 476 NE ARG A 35 -6.314 -11.990 1.437 1.00 0.00 N ATOM 477 CZ ARG A 35 -7.197 -12.372 2.352 1.00 0.00 C ATOM 478 NH1 ARG A 35 -8.259 -11.620 2.608 1.00 0.00 N ATOM 479 NH2 ARG A 35 -7.020 -13.508 3.014 1.00 0.00 N ATOM 0 H ARG A 35 -4.906 -9.760 -3.930 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.231 -10.276 -2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.541 -9.025 -1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.961 -8.594 -0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.285 -11.506 -0.989 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.358 -10.551 0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.413 -9.901 1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.397 -10.738 0.156 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.508 -12.591 1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.399 -10.746 2.101 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.936 -11.916 3.311 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.205 -14.089 2.820 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.699 -13.800 3.717 1.00 0.00 H new ATOM 493 N HIS A 36 -7.757 -7.653 -2.156 1.00 0.00 N ATOM 494 CA HIS A 36 -8.354 -6.377 -2.534 1.00 0.00 C ATOM 495 C HIS A 36 -8.346 -5.405 -1.359 1.00 0.00 C ATOM 496 O HIS A 36 -8.373 -5.817 -0.199 1.00 0.00 O ATOM 497 CB HIS A 36 -9.786 -6.586 -3.028 1.00 0.00 C ATOM 498 CG HIS A 36 -9.906 -7.636 -4.090 1.00 0.00 C ATOM 499 ND1 HIS A 36 -9.768 -8.984 -3.835 1.00 0.00 N ATOM 500 CD2 HIS A 36 -10.155 -7.529 -5.416 1.00 0.00 C ATOM 501 CE1 HIS A 36 -9.925 -9.661 -4.958 1.00 0.00 C ATOM 502 NE2 HIS A 36 -10.161 -8.801 -5.933 1.00 0.00 N ATOM 0 H HIS A 36 -8.012 -7.978 -1.224 1.00 0.00 H new ATOM 0 HA HIS A 36 -7.758 -5.950 -3.341 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.417 -6.862 -2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -10.169 -5.642 -3.417 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.319 -6.614 -5.965 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.870 -10.735 -5.062 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.322 -9.043 -6.911 1.00 0.00 H new ATOM 511 N ARG A 37 -8.307 -4.112 -1.666 1.00 0.00 N ATOM 512 CA ARG A 37 -8.293 -3.081 -0.636 1.00 0.00 C ATOM 513 C ARG A 37 -9.051 -1.840 -1.097 1.00 0.00 C ATOM 514 O ARG A 37 -9.355 -1.690 -2.281 1.00 0.00 O ATOM 515 CB ARG A 37 -6.853 -2.708 -0.277 1.00 0.00 C ATOM 516 CG ARG A 37 -6.417 -3.208 1.090 1.00 0.00 C ATOM 517 CD ARG A 37 -5.381 -2.287 1.716 1.00 0.00 C ATOM 518 NE ARG A 37 -4.682 -2.925 2.828 1.00 0.00 N ATOM 519 CZ ARG A 37 -3.848 -3.949 2.683 1.00 0.00 C ATOM 520 NH1 ARG A 37 -3.610 -4.447 1.478 1.00 0.00 N ATOM 521 NH2 ARG A 37 -3.250 -4.475 3.744 1.00 0.00 N ATOM 0 H ARG A 37 -8.285 -3.754 -2.621 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.789 -3.481 0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.182 -3.114 -1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.749 -1.623 -0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.285 -3.280 1.746 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.003 -4.212 0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.658 -1.987 0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.869 -1.378 2.068 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.843 -2.564 3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.067 -4.044 0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.969 -5.233 1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.430 -4.093 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.610 -5.261 3.631 1.00 0.00 H new ATOM 535 N HIS A 38 -9.354 -0.954 -0.155 1.00 0.00 N ATOM 536 CA HIS A 38 -10.077 0.275 -0.465 1.00 0.00 C ATOM 537 C HIS A 38 -9.144 1.314 -1.079 1.00 0.00 C ATOM 538 O HIS A 38 -7.929 1.282 -0.888 1.00 0.00 O ATOM 539 CB HIS A 38 -10.729 0.840 0.797 1.00 0.00 C ATOM 540 CG HIS A 38 -12.017 0.166 1.160 1.00 0.00 C ATOM 541 ND1 HIS A 38 -12.131 -0.725 2.206 1.00 0.00 N ATOM 542 CD2 HIS A 38 -13.250 0.259 0.610 1.00 0.00 C ATOM 543 CE1 HIS A 38 -13.379 -1.152 2.283 1.00 0.00 C ATOM 544 NE2 HIS A 38 -14.078 -0.570 1.325 1.00 0.00 N ATOM 0 H HIS A 38 -9.111 -1.063 0.829 1.00 0.00 H new ATOM 0 HA HIS A 38 -10.854 0.037 -1.191 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -10.032 0.745 1.630 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -10.913 1.905 0.655 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.530 0.871 -0.234 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -13.762 -1.857 3.006 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -15.072 -0.713 1.146 1.00 0.00 H new ATOM 552 N PRO A 39 -9.725 2.257 -1.836 1.00 0.00 N ATOM 553 CA PRO A 39 -8.963 3.323 -2.494 1.00 0.00 C ATOM 554 C PRO A 39 -8.398 4.331 -1.499 1.00 0.00 C ATOM 555 O PRO A 39 -7.642 5.227 -1.872 1.00 0.00 O ATOM 556 CB PRO A 39 -10.000 3.991 -3.401 1.00 0.00 C ATOM 557 CG PRO A 39 -11.311 3.707 -2.752 1.00 0.00 C ATOM 558 CD PRO A 39 -11.169 2.355 -2.107 1.00 0.00 C ATOM 0 HA PRO A 39 -8.096 2.934 -3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.823 5.063 -3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.962 3.584 -4.412 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.553 4.469 -2.011 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.118 3.707 -3.485 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.756 2.283 -1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.509 1.557 -2.767 1.00 0.00 H new ATOM 566 N GLU A 40 -8.770 4.177 -0.232 1.00 0.00 N ATOM 567 CA GLU A 40 -8.300 5.075 0.816 1.00 0.00 C ATOM 568 C GLU A 40 -7.440 4.325 1.829 1.00 0.00 C ATOM 569 O GLU A 40 -6.593 4.916 2.501 1.00 0.00 O ATOM 570 CB GLU A 40 -9.485 5.733 1.525 1.00 0.00 C ATOM 571 CG GLU A 40 -10.350 4.754 2.301 1.00 0.00 C ATOM 572 CD GLU A 40 -11.206 5.437 3.350 1.00 0.00 C ATOM 573 OE1 GLU A 40 -12.167 6.137 2.967 1.00 0.00 O ATOM 574 OE2 GLU A 40 -10.916 5.272 4.553 1.00 0.00 O ATOM 0 H GLU A 40 -9.395 3.439 0.093 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.691 5.849 0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.111 6.495 2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.102 6.243 0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.994 4.215 1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.711 4.014 2.784 1.00 0.00 H new ATOM 581 N CYS A 41 -7.663 3.019 1.935 1.00 0.00 N ATOM 582 CA CYS A 41 -6.911 2.187 2.866 1.00 0.00 C ATOM 583 C CYS A 41 -5.556 1.801 2.278 1.00 0.00 C ATOM 584 O CYS A 41 -4.600 1.546 3.010 1.00 0.00 O ATOM 585 CB CYS A 41 -7.706 0.927 3.213 1.00 0.00 C ATOM 586 SG CYS A 41 -9.272 1.253 4.085 1.00 0.00 S ATOM 0 H CYS A 41 -8.359 2.514 1.387 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.742 2.764 3.775 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.921 0.381 2.294 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.086 0.278 3.832 1.00 0.00 H new ATOM 591 N TYR A 42 -5.483 1.760 0.952 1.00 0.00 N ATOM 592 CA TYR A 42 -4.247 1.404 0.266 1.00 0.00 C ATOM 593 C TYR A 42 -3.054 2.132 0.877 1.00 0.00 C ATOM 594 O TYR A 42 -1.909 1.708 0.726 1.00 0.00 O ATOM 595 CB TYR A 42 -4.353 1.735 -1.224 1.00 0.00 C ATOM 596 CG TYR A 42 -3.167 1.263 -2.035 1.00 0.00 C ATOM 597 CD1 TYR A 42 -2.756 -0.064 -1.992 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.458 2.143 -2.842 1.00 0.00 C ATOM 599 CE1 TYR A 42 -1.673 -0.500 -2.731 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.374 1.715 -3.585 1.00 0.00 C ATOM 601 CZ TYR A 42 -0.986 0.393 -3.526 1.00 0.00 C ATOM 602 OH TYR A 42 0.093 -0.037 -4.263 1.00 0.00 O ATOM 0 H TYR A 42 -6.265 1.969 0.331 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.093 0.331 0.383 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.260 1.282 -1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.457 2.814 -1.342 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.292 -0.766 -1.371 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.759 3.179 -2.890 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.366 -1.535 -2.686 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.834 2.412 -4.208 1.00 0.00 H new ATOM 0 HH TYR A 42 0.464 0.716 -4.769 1.00 0.00 H new ATOM 612 N VAL A 43 -3.333 3.232 1.570 1.00 0.00 N ATOM 613 CA VAL A 43 -2.285 4.020 2.207 1.00 0.00 C ATOM 614 C VAL A 43 -1.426 3.155 3.123 1.00 0.00 C ATOM 615 O VAL A 43 -1.876 2.123 3.621 1.00 0.00 O ATOM 616 CB VAL A 43 -2.876 5.184 3.025 1.00 0.00 C ATOM 617 CG1 VAL A 43 -3.777 6.045 2.153 1.00 0.00 C ATOM 618 CG2 VAL A 43 -3.635 4.654 4.232 1.00 0.00 C ATOM 0 H VAL A 43 -4.276 3.597 1.704 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.665 4.425 1.408 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.057 5.807 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.186 6.862 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.199 6.453 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.593 5.438 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.046 5.489 4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.447 4.009 3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.957 4.084 4.867 1.00 0.00 H new ATOM 628 N CYS A 44 -0.187 3.582 3.340 1.00 0.00 N ATOM 629 CA CYS A 44 0.737 2.848 4.196 1.00 0.00 C ATOM 630 C CYS A 44 0.104 2.555 5.554 1.00 0.00 C ATOM 631 O CYS A 44 -0.677 3.352 6.073 1.00 0.00 O ATOM 632 CB CYS A 44 2.031 3.641 4.385 1.00 0.00 C ATOM 633 SG CYS A 44 3.283 2.792 5.401 1.00 0.00 S ATOM 0 H CYS A 44 0.201 4.434 2.934 1.00 0.00 H new ATOM 0 HA CYS A 44 0.968 1.900 3.710 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.459 3.856 3.406 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.793 4.599 4.847 1.00 0.00 H new ATOM 638 N THR A 45 0.448 1.404 6.124 1.00 0.00 N ATOM 639 CA THR A 45 -0.086 1.004 7.420 1.00 0.00 C ATOM 640 C THR A 45 0.691 1.655 8.559 1.00 0.00 C ATOM 641 O THR A 45 0.145 1.896 9.636 1.00 0.00 O ATOM 642 CB THR A 45 -0.048 -0.526 7.596 1.00 0.00 C ATOM 643 OG1 THR A 45 -0.771 -1.159 6.535 1.00 0.00 O ATOM 644 CG2 THR A 45 -0.644 -0.932 8.935 1.00 0.00 C ATOM 0 H THR A 45 1.094 0.733 5.708 1.00 0.00 H new ATOM 0 HA THR A 45 -1.122 1.340 7.452 1.00 0.00 H new ATOM 0 HB THR A 45 0.993 -0.847 7.568 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.173 -1.304 5.773 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.606 -2.017 9.036 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.073 -0.472 9.742 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.680 -0.599 8.988 1.00 0.00 H new ATOM 652 N ASP A 46 1.965 1.936 8.314 1.00 0.00 N ATOM 653 CA ASP A 46 2.817 2.561 9.320 1.00 0.00 C ATOM 654 C ASP A 46 2.455 4.032 9.501 1.00 0.00 C ATOM 655 O ASP A 46 2.006 4.445 10.570 1.00 0.00 O ATOM 656 CB ASP A 46 4.289 2.430 8.925 1.00 0.00 C ATOM 657 CG ASP A 46 5.225 2.656 10.096 1.00 0.00 C ATOM 658 OD1 ASP A 46 4.927 3.533 10.934 1.00 0.00 O ATOM 659 OD2 ASP A 46 6.255 1.954 10.175 1.00 0.00 O ATOM 0 H ASP A 46 2.431 1.741 7.428 1.00 0.00 H new ATOM 0 HA ASP A 46 2.656 2.047 10.267 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.464 1.437 8.510 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.516 3.149 8.138 1.00 0.00 H new ATOM 664 N CYS A 47 2.654 4.819 8.448 1.00 0.00 N ATOM 665 CA CYS A 47 2.350 6.244 8.490 1.00 0.00 C ATOM 666 C CYS A 47 0.933 6.513 7.992 1.00 0.00 C ATOM 667 O CYS A 47 0.066 6.939 8.754 1.00 0.00 O ATOM 668 CB CYS A 47 3.357 7.026 7.645 1.00 0.00 C ATOM 669 SG CYS A 47 3.904 6.153 6.142 1.00 0.00 S ATOM 0 H CYS A 47 3.025 4.493 7.555 1.00 0.00 H new ATOM 0 HA CYS A 47 2.420 6.575 9.526 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.912 7.978 7.357 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.229 7.254 8.257 1.00 0.00 H new ATOM 674 N GLY A 48 0.705 6.261 6.707 1.00 0.00 N ATOM 675 CA GLY A 48 -0.607 6.481 6.129 1.00 0.00 C ATOM 676 C GLY A 48 -0.556 7.354 4.891 1.00 0.00 C ATOM 677 O GLY A 48 -1.364 8.270 4.733 1.00 0.00 O ATOM 0 H GLY A 48 1.406 5.908 6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.054 5.520 5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.254 6.947 6.872 1.00 0.00 H new ATOM 681 N THR A 49 0.397 7.072 4.008 1.00 0.00 N ATOM 682 CA THR A 49 0.553 7.840 2.779 1.00 0.00 C ATOM 683 C THR A 49 0.079 7.043 1.569 1.00 0.00 C ATOM 684 O THR A 49 0.332 5.844 1.467 1.00 0.00 O ATOM 685 CB THR A 49 2.018 8.261 2.561 1.00 0.00 C ATOM 686 OG1 THR A 49 2.102 9.206 1.489 1.00 0.00 O ATOM 687 CG2 THR A 49 2.887 7.052 2.247 1.00 0.00 C ATOM 0 H THR A 49 1.073 6.317 4.121 1.00 0.00 H new ATOM 0 HA THR A 49 -0.061 8.734 2.885 1.00 0.00 H new ATOM 0 HB THR A 49 2.381 8.721 3.480 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.715 9.929 1.738 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.918 7.374 2.097 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.844 6.348 3.078 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.523 6.567 1.341 1.00 0.00 H new ATOM 695 N ASN A 50 -0.609 7.718 0.654 1.00 0.00 N ATOM 696 CA ASN A 50 -1.118 7.072 -0.550 1.00 0.00 C ATOM 697 C ASN A 50 0.009 6.388 -1.318 1.00 0.00 C ATOM 698 O ASN A 50 0.911 7.047 -1.837 1.00 0.00 O ATOM 699 CB ASN A 50 -1.814 8.096 -1.449 1.00 0.00 C ATOM 700 CG ASN A 50 -3.123 8.586 -0.861 1.00 0.00 C ATOM 701 OD1 ASN A 50 -3.184 9.658 -0.259 1.00 0.00 O ATOM 702 ND2 ASN A 50 -4.179 7.800 -1.033 1.00 0.00 N ATOM 0 H ASN A 50 -0.827 8.712 0.723 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.840 6.314 -0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.150 8.946 -1.609 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.002 7.650 -2.426 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.087 8.077 -0.659 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.082 6.920 -1.539 1.00 0.00 H new ATOM 709 N LEU A 51 -0.049 5.063 -1.387 1.00 0.00 N ATOM 710 CA LEU A 51 0.967 4.288 -2.092 1.00 0.00 C ATOM 711 C LEU A 51 0.619 4.153 -3.571 1.00 0.00 C ATOM 712 O LEU A 51 1.196 3.331 -4.283 1.00 0.00 O ATOM 713 CB LEU A 51 1.108 2.902 -1.461 1.00 0.00 C ATOM 714 CG LEU A 51 1.248 2.868 0.062 1.00 0.00 C ATOM 715 CD1 LEU A 51 1.285 1.433 0.563 1.00 0.00 C ATOM 716 CD2 LEU A 51 2.496 3.621 0.499 1.00 0.00 C ATOM 0 H LEU A 51 -0.788 4.502 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 51 1.916 4.817 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.237 2.308 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.979 2.413 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 51 0.379 3.360 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.385 1.429 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.362 0.925 0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.134 0.914 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.580 3.587 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.376 3.158 0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.428 4.659 0.173 1.00 0.00 H new ATOM 728 N LYS A 52 -0.328 4.966 -4.027 1.00 0.00 N ATOM 729 CA LYS A 52 -0.752 4.940 -5.422 1.00 0.00 C ATOM 730 C LYS A 52 0.450 5.030 -6.357 1.00 0.00 C ATOM 731 O LYS A 52 0.707 4.115 -7.140 1.00 0.00 O ATOM 732 CB LYS A 52 -1.718 6.093 -5.704 1.00 0.00 C ATOM 733 CG LYS A 52 -2.645 5.836 -6.879 1.00 0.00 C ATOM 734 CD LYS A 52 -2.055 6.358 -8.179 1.00 0.00 C ATOM 735 CE LYS A 52 -2.183 7.870 -8.282 1.00 0.00 C ATOM 736 NZ LYS A 52 -3.528 8.281 -8.772 1.00 0.00 N ATOM 0 H LYS A 52 -0.817 5.651 -3.451 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.262 3.994 -5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.318 6.280 -4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.143 6.999 -5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.834 4.766 -6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.607 6.315 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.004 6.076 -8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.562 5.891 -9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.000 8.317 -7.305 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.418 8.254 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.575 9.318 -8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.693 7.875 -9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.257 7.937 -8.115 1.00 0.00 H new ATOM 750 N GLN A 53 1.181 6.136 -6.270 1.00 0.00 N ATOM 751 CA GLN A 53 2.356 6.343 -7.108 1.00 0.00 C ATOM 752 C GLN A 53 3.612 5.813 -6.426 1.00 0.00 C ATOM 753 O GLN A 53 4.448 5.165 -7.056 1.00 0.00 O ATOM 754 CB GLN A 53 2.524 7.829 -7.430 1.00 0.00 C ATOM 755 CG GLN A 53 1.317 8.442 -8.123 1.00 0.00 C ATOM 756 CD GLN A 53 1.413 8.370 -9.634 1.00 0.00 C ATOM 757 OE1 GLN A 53 2.336 7.765 -10.181 1.00 0.00 O ATOM 758 NE2 GLN A 53 0.458 8.989 -10.318 1.00 0.00 N ATOM 0 H GLN A 53 0.981 6.903 -5.628 1.00 0.00 H new ATOM 0 HA GLN A 53 2.210 5.792 -8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.717 8.373 -6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.401 7.958 -8.064 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.414 7.927 -7.795 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.218 9.484 -7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.288 9.478 -9.824 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.470 8.975 -11.338 1.00 0.00 H new ATOM 767 N LYS A 54 3.740 6.094 -5.133 1.00 0.00 N ATOM 768 CA LYS A 54 4.894 5.645 -4.363 1.00 0.00 C ATOM 769 C LYS A 54 5.097 4.141 -4.512 1.00 0.00 C ATOM 770 O LYS A 54 6.221 3.670 -4.678 1.00 0.00 O ATOM 771 CB LYS A 54 4.717 6.003 -2.885 1.00 0.00 C ATOM 772 CG LYS A 54 4.694 7.498 -2.620 1.00 0.00 C ATOM 773 CD LYS A 54 5.034 7.813 -1.173 1.00 0.00 C ATOM 774 CE LYS A 54 4.736 9.265 -0.833 1.00 0.00 C ATOM 775 NZ LYS A 54 5.125 9.599 0.565 1.00 0.00 N ATOM 0 H LYS A 54 3.058 6.631 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 54 5.777 6.152 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.788 5.564 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.527 5.553 -2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.405 7.996 -3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.707 7.895 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.463 7.159 -0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.089 7.605 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.271 9.917 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.672 9.459 -0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.489 10.334 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.053 8.748 1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.104 9.949 0.579 1.00 0.00 H new ATOM 789 N GLY A 55 4.000 3.392 -4.454 1.00 0.00 N ATOM 790 CA GLY A 55 4.079 1.949 -4.586 1.00 0.00 C ATOM 791 C GLY A 55 3.980 1.238 -3.250 1.00 0.00 C ATOM 792 O GLY A 55 4.462 1.740 -2.234 1.00 0.00 O ATOM 0 H GLY A 55 3.058 3.759 -4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.278 1.603 -5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.020 1.682 -5.067 1.00 0.00 H new ATOM 796 N HIS A 56 3.351 0.067 -3.250 1.00 0.00 N ATOM 797 CA HIS A 56 3.189 -0.714 -2.029 1.00 0.00 C ATOM 798 C HIS A 56 4.085 -1.948 -2.050 1.00 0.00 C ATOM 799 O HIS A 56 4.556 -2.368 -3.108 1.00 0.00 O ATOM 800 CB HIS A 56 1.729 -1.132 -1.856 1.00 0.00 C ATOM 801 CG HIS A 56 1.397 -2.436 -2.512 1.00 0.00 C ATOM 802 ND1 HIS A 56 0.509 -2.547 -3.561 1.00 0.00 N ATOM 803 CD2 HIS A 56 1.843 -3.690 -2.265 1.00 0.00 C ATOM 804 CE1 HIS A 56 0.420 -3.812 -3.929 1.00 0.00 C ATOM 805 NE2 HIS A 56 1.221 -4.527 -3.159 1.00 0.00 N ATOM 0 H HIS A 56 2.945 -0.362 -4.082 1.00 0.00 H new ATOM 0 HA HIS A 56 3.482 -0.089 -1.186 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.504 -1.202 -0.792 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.086 -0.354 -2.267 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -0.000 -1.772 -3.987 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.555 -3.979 -1.506 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.202 -4.197 -4.724 1.00 0.00 H new ATOM 814 N PHE A 57 4.317 -2.526 -0.876 1.00 0.00 N ATOM 815 CA PHE A 57 5.158 -3.711 -0.760 1.00 0.00 C ATOM 816 C PHE A 57 4.441 -4.813 0.015 1.00 0.00 C ATOM 817 O PHE A 57 3.371 -4.592 0.583 1.00 0.00 O ATOM 818 CB PHE A 57 6.477 -3.361 -0.068 1.00 0.00 C ATOM 819 CG PHE A 57 7.550 -2.909 -1.016 1.00 0.00 C ATOM 820 CD1 PHE A 57 7.475 -1.667 -1.626 1.00 0.00 C ATOM 821 CD2 PHE A 57 8.634 -3.724 -1.296 1.00 0.00 C ATOM 822 CE1 PHE A 57 8.461 -1.249 -2.500 1.00 0.00 C ATOM 823 CE2 PHE A 57 9.623 -3.311 -2.169 1.00 0.00 C ATOM 824 CZ PHE A 57 9.537 -2.071 -2.771 1.00 0.00 C ATOM 0 H PHE A 57 3.934 -2.193 0.009 1.00 0.00 H new ATOM 0 HA PHE A 57 5.369 -4.076 -1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.296 -2.575 0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.832 -4.233 0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.637 -1.019 -1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.708 -4.694 -0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 57 8.390 -0.280 -2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.462 -3.957 -2.380 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.309 -1.745 -3.452 1.00 0.00 H new ATOM 834 N PHE A 58 5.037 -6.000 0.032 1.00 0.00 N ATOM 835 CA PHE A 58 4.456 -7.138 0.735 1.00 0.00 C ATOM 836 C PHE A 58 5.338 -7.563 1.905 1.00 0.00 C ATOM 837 O PHE A 58 6.431 -8.097 1.712 1.00 0.00 O ATOM 838 CB PHE A 58 4.262 -8.313 -0.225 1.00 0.00 C ATOM 839 CG PHE A 58 3.001 -8.222 -1.037 1.00 0.00 C ATOM 840 CD1 PHE A 58 1.760 -8.275 -0.422 1.00 0.00 C ATOM 841 CD2 PHE A 58 3.057 -8.084 -2.414 1.00 0.00 C ATOM 842 CE1 PHE A 58 0.598 -8.191 -1.166 1.00 0.00 C ATOM 843 CE2 PHE A 58 1.898 -8.000 -3.163 1.00 0.00 C ATOM 844 CZ PHE A 58 0.668 -8.054 -2.538 1.00 0.00 C ATOM 0 H PHE A 58 5.923 -6.199 -0.433 1.00 0.00 H new ATOM 0 HA PHE A 58 3.485 -6.834 1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.116 -8.365 -0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.250 -9.241 0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.700 -8.383 0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.016 -8.042 -2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.363 -8.232 -0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.955 -7.892 -4.236 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.238 -7.989 -3.122 1.00 0.00 H new ATOM 854 N VAL A 59 4.856 -7.322 3.120 1.00 0.00 N ATOM 855 CA VAL A 59 5.599 -7.680 4.323 1.00 0.00 C ATOM 856 C VAL A 59 4.668 -8.212 5.407 1.00 0.00 C ATOM 857 O VAL A 59 3.837 -7.477 5.939 1.00 0.00 O ATOM 858 CB VAL A 59 6.381 -6.475 4.878 1.00 0.00 C ATOM 859 CG1 VAL A 59 7.121 -6.860 6.151 1.00 0.00 C ATOM 860 CG2 VAL A 59 7.347 -5.939 3.832 1.00 0.00 C ATOM 0 H VAL A 59 3.954 -6.880 3.298 1.00 0.00 H new ATOM 0 HA VAL A 59 6.304 -8.462 4.039 1.00 0.00 H new ATOM 0 HB VAL A 59 5.671 -5.685 5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.668 -5.996 6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.404 -7.193 6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.821 -7.667 5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.891 -5.088 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.053 -6.721 3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.790 -5.623 2.950 1.00 0.00 H new ATOM 870 N GLU A 60 4.814 -9.493 5.729 1.00 0.00 N ATOM 871 CA GLU A 60 3.985 -10.123 6.750 1.00 0.00 C ATOM 872 C GLU A 60 2.506 -10.022 6.388 1.00 0.00 C ATOM 873 O GLU A 60 1.664 -9.752 7.245 1.00 0.00 O ATOM 874 CB GLU A 60 4.234 -9.473 8.112 1.00 0.00 C ATOM 875 CG GLU A 60 5.619 -9.748 8.674 1.00 0.00 C ATOM 876 CD GLU A 60 5.721 -11.108 9.335 1.00 0.00 C ATOM 877 OE1 GLU A 60 4.724 -11.545 9.948 1.00 0.00 O ATOM 878 OE2 GLU A 60 6.796 -11.736 9.241 1.00 0.00 O ATOM 0 H GLU A 60 5.498 -10.115 5.298 1.00 0.00 H new ATOM 0 HA GLU A 60 4.257 -11.177 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.095 -8.396 8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.486 -9.833 8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.352 -9.683 7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.872 -8.975 9.400 1.00 0.00 H new ATOM 885 N ASP A 61 2.199 -10.239 5.114 1.00 0.00 N ATOM 886 CA ASP A 61 0.822 -10.174 4.638 1.00 0.00 C ATOM 887 C ASP A 61 0.250 -8.771 4.820 1.00 0.00 C ATOM 888 O ASP A 61 -0.946 -8.604 5.052 1.00 0.00 O ATOM 889 CB ASP A 61 -0.046 -11.191 5.380 1.00 0.00 C ATOM 890 CG ASP A 61 -1.461 -11.248 4.840 1.00 0.00 C ATOM 891 OD1 ASP A 61 -1.641 -11.031 3.623 1.00 0.00 O ATOM 892 OD2 ASP A 61 -2.390 -11.509 5.634 1.00 0.00 O ATOM 0 H ASP A 61 2.885 -10.461 4.392 1.00 0.00 H new ATOM 0 HA ASP A 61 0.820 -10.414 3.575 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.409 -12.178 5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.075 -10.936 6.439 1.00 0.00 H new ATOM 897 N GLN A 62 1.115 -7.767 4.713 1.00 0.00 N ATOM 898 CA GLN A 62 0.696 -6.379 4.868 1.00 0.00 C ATOM 899 C GLN A 62 1.250 -5.514 3.741 1.00 0.00 C ATOM 900 O GLN A 62 2.003 -5.992 2.892 1.00 0.00 O ATOM 901 CB GLN A 62 1.156 -5.833 6.220 1.00 0.00 C ATOM 902 CG GLN A 62 0.346 -6.356 7.395 1.00 0.00 C ATOM 903 CD GLN A 62 1.145 -6.395 8.683 1.00 0.00 C ATOM 904 OE1 GLN A 62 2.238 -6.961 8.732 1.00 0.00 O ATOM 905 NE2 GLN A 62 0.603 -5.792 9.735 1.00 0.00 N ATOM 0 H GLN A 62 2.109 -7.889 4.520 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.393 -6.347 4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.205 -6.091 6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.095 -4.745 6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.532 -5.726 7.535 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.015 -7.359 7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.305 -5.335 9.649 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.095 -5.786 10.629 1.00 0.00 H new ATOM 914 N ILE A 63 0.873 -4.240 3.739 1.00 0.00 N ATOM 915 CA ILE A 63 1.334 -3.309 2.717 1.00 0.00 C ATOM 916 C ILE A 63 1.955 -2.066 3.345 1.00 0.00 C ATOM 917 O ILE A 63 1.399 -1.485 4.277 1.00 0.00 O ATOM 918 CB ILE A 63 0.184 -2.880 1.786 1.00 0.00 C ATOM 919 CG1 ILE A 63 -0.969 -2.293 2.603 1.00 0.00 C ATOM 920 CG2 ILE A 63 -0.295 -4.062 0.957 1.00 0.00 C ATOM 921 CD1 ILE A 63 -1.791 -1.276 1.842 1.00 0.00 C ATOM 0 H ILE A 63 0.250 -3.829 4.434 1.00 0.00 H new ATOM 0 HA ILE A 63 2.089 -3.833 2.131 1.00 0.00 H new ATOM 0 HB ILE A 63 0.552 -2.111 1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.621 -3.103 2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.566 -1.824 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.108 -3.743 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.529 -4.440 0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.650 -4.851 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.590 -0.902 2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.152 -0.447 1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.223 -1.745 0.958 1.00 0.00 H new ATOM 933 N TYR A 64 3.110 -1.663 2.827 1.00 0.00 N ATOM 934 CA TYR A 64 3.808 -0.489 3.337 1.00 0.00 C ATOM 935 C TYR A 64 4.470 0.288 2.203 1.00 0.00 C ATOM 936 O TYR A 64 4.515 -0.174 1.062 1.00 0.00 O ATOM 937 CB TYR A 64 4.859 -0.902 4.368 1.00 0.00 C ATOM 938 CG TYR A 64 4.307 -1.755 5.488 1.00 0.00 C ATOM 939 CD1 TYR A 64 3.763 -1.173 6.627 1.00 0.00 C ATOM 940 CD2 TYR A 64 4.329 -3.142 5.408 1.00 0.00 C ATOM 941 CE1 TYR A 64 3.258 -1.948 7.653 1.00 0.00 C ATOM 942 CE2 TYR A 64 3.825 -3.924 6.428 1.00 0.00 C ATOM 943 CZ TYR A 64 3.290 -3.323 7.549 1.00 0.00 C ATOM 944 OH TYR A 64 2.788 -4.099 8.568 1.00 0.00 O ATOM 0 H TYR A 64 3.583 -2.132 2.054 1.00 0.00 H new ATOM 0 HA TYR A 64 3.073 0.158 3.816 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.655 -1.450 3.864 1.00 0.00 H new ATOM 0 HB3 TYR A 64 5.310 -0.006 4.794 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.735 -0.097 6.711 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.748 -3.617 4.533 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.840 -1.480 8.532 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.849 -5.001 6.349 1.00 0.00 H new ATOM 0 HH TYR A 64 3.325 -4.914 8.653 1.00 0.00 H new ATOM 954 N CYS A 65 4.983 1.470 2.524 1.00 0.00 N ATOM 955 CA CYS A 65 5.643 2.313 1.535 1.00 0.00 C ATOM 956 C CYS A 65 7.113 1.929 1.387 1.00 0.00 C ATOM 957 O CYS A 65 7.765 1.550 2.359 1.00 0.00 O ATOM 958 CB CYS A 65 5.527 3.786 1.930 1.00 0.00 C ATOM 959 SG CYS A 65 6.241 4.178 3.559 1.00 0.00 S ATOM 0 H CYS A 65 4.954 1.867 3.463 1.00 0.00 H new ATOM 0 HA CYS A 65 5.147 2.161 0.576 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.022 4.394 1.173 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.475 4.069 1.929 1.00 0.00 H new ATOM 964 N GLU A 66 7.625 2.031 0.165 1.00 0.00 N ATOM 965 CA GLU A 66 9.017 1.694 -0.110 1.00 0.00 C ATOM 966 C GLU A 66 9.920 2.130 1.041 1.00 0.00 C ATOM 967 O GLU A 66 10.807 1.389 1.465 1.00 0.00 O ATOM 968 CB GLU A 66 9.478 2.354 -1.411 1.00 0.00 C ATOM 969 CG GLU A 66 10.934 2.083 -1.749 1.00 0.00 C ATOM 970 CD GLU A 66 11.364 2.738 -3.047 1.00 0.00 C ATOM 971 OE1 GLU A 66 11.695 3.942 -3.023 1.00 0.00 O ATOM 972 OE2 GLU A 66 11.369 2.047 -4.087 1.00 0.00 O ATOM 0 H GLU A 66 7.097 2.344 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 66 9.087 0.611 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.852 2.000 -2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.326 3.431 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.565 2.445 -0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.092 1.007 -1.820 1.00 0.00 H new ATOM 979 N LYS A 67 9.686 3.338 1.543 1.00 0.00 N ATOM 980 CA LYS A 67 10.476 3.874 2.645 1.00 0.00 C ATOM 981 C LYS A 67 10.455 2.928 3.841 1.00 0.00 C ATOM 982 O LYS A 67 11.487 2.379 4.229 1.00 0.00 O ATOM 983 CB LYS A 67 9.944 5.248 3.060 1.00 0.00 C ATOM 984 CG LYS A 67 10.800 5.942 4.105 1.00 0.00 C ATOM 985 CD LYS A 67 10.014 7.006 4.853 1.00 0.00 C ATOM 986 CE LYS A 67 10.923 7.863 5.721 1.00 0.00 C ATOM 987 NZ LYS A 67 11.869 8.672 4.904 1.00 0.00 N ATOM 0 H LYS A 67 8.956 3.964 1.204 1.00 0.00 H new ATOM 0 HA LYS A 67 11.506 3.977 2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.877 5.884 2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.932 5.134 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.181 5.205 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.665 6.398 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.487 7.640 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.257 6.530 5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.316 8.527 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.486 7.223 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.250 9.449 5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.650 8.068 4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.369 9.065 4.082 1.00 0.00 H new ATOM 1001 N HIS A 68 9.274 2.739 4.421 1.00 0.00 N ATOM 1002 CA HIS A 68 9.119 1.856 5.571 1.00 0.00 C ATOM 1003 C HIS A 68 9.444 0.413 5.197 1.00 0.00 C ATOM 1004 O HIS A 68 10.302 -0.219 5.812 1.00 0.00 O ATOM 1005 CB HIS A 68 7.694 1.944 6.120 1.00 0.00 C ATOM 1006 CG HIS A 68 7.502 3.047 7.115 1.00 0.00 C ATOM 1007 ND1 HIS A 68 6.412 3.891 7.102 1.00 0.00 N ATOM 1008 CD2 HIS A 68 8.269 3.440 8.159 1.00 0.00 C ATOM 1009 CE1 HIS A 68 6.517 4.757 8.093 1.00 0.00 C ATOM 1010 NE2 HIS A 68 7.635 4.505 8.750 1.00 0.00 N ATOM 0 H HIS A 68 8.410 3.186 4.113 1.00 0.00 H new ATOM 0 HA HIS A 68 9.818 2.179 6.342 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.002 2.090 5.290 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.435 0.994 6.588 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.205 2.998 8.469 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.809 5.539 8.327 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.973 5.018 9.564 1.00 0.00 H new ATOM 1018 N ALA A 69 8.754 -0.100 4.184 1.00 0.00 N ATOM 1019 CA ALA A 69 8.970 -1.467 3.727 1.00 0.00 C ATOM 1020 C ALA A 69 10.435 -1.867 3.867 1.00 0.00 C ATOM 1021 O ALA A 69 10.774 -2.757 4.649 1.00 0.00 O ATOM 1022 CB ALA A 69 8.516 -1.620 2.283 1.00 0.00 C ATOM 0 H ALA A 69 8.040 0.411 3.664 1.00 0.00 H new ATOM 0 HA ALA A 69 8.376 -2.131 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.684 -2.646 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.454 -1.384 2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.084 -0.940 1.649 1.00 0.00 H new ATOM 1028 N ARG A 70 11.300 -1.206 3.105 1.00 0.00 N ATOM 1029 CA ARG A 70 12.728 -1.494 3.144 1.00 0.00 C ATOM 1030 C ARG A 70 13.193 -1.750 4.574 1.00 0.00 C ATOM 1031 O ARG A 70 13.858 -2.748 4.851 1.00 0.00 O ATOM 1032 CB ARG A 70 13.521 -0.334 2.538 1.00 0.00 C ATOM 1033 CG ARG A 70 13.355 -0.202 1.033 1.00 0.00 C ATOM 1034 CD ARG A 70 14.122 0.993 0.491 1.00 0.00 C ATOM 1035 NE ARG A 70 15.479 0.635 0.088 1.00 0.00 N ATOM 1036 CZ ARG A 70 15.880 0.580 -1.178 1.00 0.00 C ATOM 1037 NH1 ARG A 70 15.031 0.858 -2.158 1.00 0.00 N ATOM 1038 NH2 ARG A 70 17.132 0.246 -1.464 1.00 0.00 N ATOM 0 H ARG A 70 11.036 -0.467 2.453 1.00 0.00 H new ATOM 0 HA ARG A 70 12.907 -2.394 2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.208 0.596 3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.578 -0.469 2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.705 -1.112 0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.298 -0.098 0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.588 1.409 -0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.163 1.773 1.252 1.00 0.00 H new ATOM 0 HE ARG A 70 16.156 0.415 0.818 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.068 1.115 -1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.341 0.815 -3.129 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.787 0.031 -0.712 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.439 0.204 -2.436 1.00 0.00 H new ATOM 1052 N GLU A 71 12.839 -0.842 5.478 1.00 0.00 N ATOM 1053 CA GLU A 71 13.221 -0.969 6.879 1.00 0.00 C ATOM 1054 C GLU A 71 12.765 -2.310 7.448 1.00 0.00 C ATOM 1055 O GLU A 71 13.488 -2.951 8.210 1.00 0.00 O ATOM 1056 CB GLU A 71 12.624 0.175 7.700 1.00 0.00 C ATOM 1057 CG GLU A 71 13.039 1.554 7.214 1.00 0.00 C ATOM 1058 CD GLU A 71 13.077 2.579 8.331 1.00 0.00 C ATOM 1059 OE1 GLU A 71 12.241 2.483 9.254 1.00 0.00 O ATOM 1060 OE2 GLU A 71 13.943 3.477 8.282 1.00 0.00 O ATOM 0 H GLU A 71 12.288 -0.010 5.265 1.00 0.00 H new ATOM 0 HA GLU A 71 14.308 -0.919 6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.537 0.101 7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.926 0.060 8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.023 1.491 6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.344 1.888 6.443 1.00 0.00 H new ATOM 1067 N ARG A 72 11.561 -2.726 7.071 1.00 0.00 N ATOM 1068 CA ARG A 72 11.006 -3.989 7.544 1.00 0.00 C ATOM 1069 C ARG A 72 11.723 -5.173 6.901 1.00 0.00 C ATOM 1070 O ARG A 72 12.165 -6.093 7.588 1.00 0.00 O ATOM 1071 CB ARG A 72 9.509 -4.059 7.240 1.00 0.00 C ATOM 1072 CG ARG A 72 8.657 -3.218 8.176 1.00 0.00 C ATOM 1073 CD ARG A 72 7.174 -3.471 7.959 1.00 0.00 C ATOM 1074 NE ARG A 72 6.378 -3.099 9.126 1.00 0.00 N ATOM 1075 CZ ARG A 72 6.073 -1.845 9.438 1.00 0.00 C ATOM 1076 NH1 ARG A 72 6.494 -0.846 8.673 1.00 0.00 N ATOM 1077 NH2 ARG A 72 5.344 -1.586 10.516 1.00 0.00 N ATOM 0 H ARG A 72 10.951 -2.207 6.439 1.00 0.00 H new ATOM 0 HA ARG A 72 11.153 -4.040 8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.339 -3.731 6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.183 -5.097 7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.918 -3.445 9.210 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.874 -2.162 8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.833 -2.905 7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.015 -4.526 7.733 1.00 0.00 H new ATOM 0 HE ARG A 72 6.038 -3.843 9.735 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.054 -1.040 7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.258 0.116 8.915 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.017 -2.351 11.106 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.111 -0.622 10.754 1.00 0.00 H new ATOM 1091 N VAL A 73 11.834 -5.141 5.576 1.00 0.00 N ATOM 1092 CA VAL A 73 12.497 -6.211 4.839 1.00 0.00 C ATOM 1093 C VAL A 73 13.632 -6.819 5.656 1.00 0.00 C ATOM 1094 O VAL A 73 13.618 -8.010 5.965 1.00 0.00 O ATOM 1095 CB VAL A 73 13.059 -5.703 3.498 1.00 0.00 C ATOM 1096 CG1 VAL A 73 13.796 -6.818 2.771 1.00 0.00 C ATOM 1097 CG2 VAL A 73 11.943 -5.138 2.633 1.00 0.00 C ATOM 0 H VAL A 73 11.474 -4.387 4.992 1.00 0.00 H new ATOM 0 HA VAL A 73 11.745 -6.975 4.643 1.00 0.00 H new ATOM 0 HB VAL A 73 13.770 -4.903 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.186 -6.440 1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.621 -7.172 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 73 13.109 -7.642 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 73 12.358 -4.784 1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.206 -5.916 2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.464 -4.308 3.153 1.00 0.00 H new ATOM 1107 N SER A 74 14.613 -5.992 6.002 1.00 0.00 N ATOM 1108 CA SER A 74 15.758 -6.449 6.780 1.00 0.00 C ATOM 1109 C SER A 74 15.306 -7.075 8.097 1.00 0.00 C ATOM 1110 O SER A 74 14.395 -6.574 8.754 1.00 0.00 O ATOM 1111 CB SER A 74 16.712 -5.285 7.057 1.00 0.00 C ATOM 1112 OG SER A 74 17.862 -5.723 7.759 1.00 0.00 O ATOM 0 H SER A 74 14.638 -5.002 5.756 1.00 0.00 H new ATOM 0 HA SER A 74 16.281 -7.207 6.198 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.011 -4.824 6.116 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.197 -4.519 7.638 1.00 0.00 H new ATOM 0 HG SER A 74 18.456 -4.961 7.922 1.00 0.00 H new ATOM 1118 N GLY A 75 15.951 -8.174 8.475 1.00 0.00 N ATOM 1119 CA GLY A 75 15.602 -8.851 9.710 1.00 0.00 C ATOM 1120 C GLY A 75 15.224 -7.884 10.814 1.00 0.00 C ATOM 1121 O GLY A 75 16.014 -7.030 11.218 1.00 0.00 O ATOM 0 H GLY A 75 16.709 -8.608 7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.770 -9.530 9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.444 -9.460 10.037 1.00 0.00 H new ATOM 1125 N PRO A 76 13.988 -8.011 11.320 1.00 0.00 N ATOM 1126 CA PRO A 76 13.478 -7.149 12.390 1.00 0.00 C ATOM 1127 C PRO A 76 14.160 -7.420 13.727 1.00 0.00 C ATOM 1128 O PRO A 76 14.930 -8.370 13.860 1.00 0.00 O ATOM 1129 CB PRO A 76 11.994 -7.514 12.463 1.00 0.00 C ATOM 1130 CG PRO A 76 11.919 -8.904 11.933 1.00 0.00 C ATOM 1131 CD PRO A 76 12.994 -9.007 10.886 1.00 0.00 C ATOM 0 HA PRO A 76 13.662 -6.094 12.186 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.623 -7.460 13.487 1.00 0.00 H new ATOM 0 HB3 PRO A 76 11.388 -6.830 11.868 1.00 0.00 H new ATOM 0 HG2 PRO A 76 12.077 -9.634 12.727 1.00 0.00 H new ATOM 0 HG3 PRO A 76 10.937 -9.106 11.505 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.421 -10.009 10.845 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.609 -8.784 9.891 1.00 0.00 H new ATOM 1139 N SER A 77 13.869 -6.580 14.715 1.00 0.00 N ATOM 1140 CA SER A 77 14.457 -6.727 16.042 1.00 0.00 C ATOM 1141 C SER A 77 14.016 -8.037 16.689 1.00 0.00 C ATOM 1142 O SER A 77 14.843 -8.827 17.142 1.00 0.00 O ATOM 1143 CB SER A 77 14.062 -5.547 16.932 1.00 0.00 C ATOM 1144 OG SER A 77 14.567 -4.328 16.416 1.00 0.00 O ATOM 0 H SER A 77 13.230 -5.791 14.622 1.00 0.00 H new ATOM 0 HA SER A 77 15.541 -6.743 15.932 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.976 -5.492 17.007 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.444 -5.704 17.941 1.00 0.00 H new ATOM 0 HG SER A 77 14.300 -3.589 17.002 1.00 0.00 H new ATOM 1150 N SER A 78 12.706 -8.258 16.727 1.00 0.00 N ATOM 1151 CA SER A 78 12.153 -9.470 17.322 1.00 0.00 C ATOM 1152 C SER A 78 10.901 -9.919 16.575 1.00 0.00 C ATOM 1153 O SER A 78 9.838 -9.312 16.700 1.00 0.00 O ATOM 1154 CB SER A 78 11.823 -9.235 18.797 1.00 0.00 C ATOM 1155 OG SER A 78 12.948 -8.731 19.497 1.00 0.00 O ATOM 0 H SER A 78 12.008 -7.615 16.353 1.00 0.00 H new ATOM 0 HA SER A 78 12.903 -10.257 17.246 1.00 0.00 H new ATOM 0 HB2 SER A 78 10.994 -8.532 18.880 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.495 -10.169 19.253 1.00 0.00 H new ATOM 0 HG SER A 78 12.711 -8.588 20.437 1.00 0.00 H new ATOM 1161 N GLY A 79 11.035 -10.988 15.796 1.00 0.00 N ATOM 1162 CA GLY A 79 9.908 -11.501 15.039 1.00 0.00 C ATOM 1163 C GLY A 79 10.340 -12.295 13.822 1.00 0.00 C ATOM 1164 O GLY A 79 10.194 -13.516 13.820 1.00 0.00 O ATOM 0 H GLY A 79 11.904 -11.508 15.676 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.299 -12.134 15.684 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.279 -10.669 14.722 1.00 0.00 H new TER 1168 GLY A 79 HETATM 1169 ZN ZN A 201 -10.707 -0.611 3.722 1.00 0.00 ZN HETATM 1170 ZN ZN A 401 5.105 4.234 5.589 1.00 0.00 ZN