USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 506 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.31 (180deg=0.691) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.13) USER MOD Single : A 10 GLN : amide:sc= -5.06! C(o=-5.1!,f=-8.8!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= -0.229 (180deg=-1.18!) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 1.16 (180deg=1.13) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.53! C(o=-2.5!,f=-10!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.0753 X(o=-0.075,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -1.02 USER MOD Single : A 42 THR OG1 : rot 5:sc= 1.13 USER MOD Single : A 43 ASN : amide:sc= -2.87! C(o=-2.9!,f=-7.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.0658 (180deg=-0.28) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.618 -16.696 1.508 1.00 0.00 N ATOM 2 CA MET A 1 5.769 -15.914 1.004 1.00 0.00 C ATOM 3 C MET A 1 7.065 -16.650 1.308 1.00 0.00 C ATOM 4 O MET A 1 7.111 -17.467 2.227 1.00 0.00 O ATOM 5 CB MET A 1 5.794 -14.517 1.637 1.00 0.00 C ATOM 6 CG MET A 1 4.656 -13.610 1.190 1.00 0.00 C ATOM 7 SD MET A 1 3.035 -14.208 1.713 1.00 0.00 S ATOM 8 CE MET A 1 1.962 -12.977 0.975 1.00 0.00 C ATOM 0 H1 MET A 1 3.803 -16.065 1.644 1.00 0.00 H new ATOM 0 H2 MET A 1 4.372 -17.435 0.819 1.00 0.00 H new ATOM 0 H3 MET A 1 4.869 -17.138 2.415 1.00 0.00 H new ATOM 0 HA MET A 1 5.666 -15.799 -0.075 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.757 -14.621 2.721 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.743 -14.037 1.395 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.816 -12.610 1.592 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.673 -13.523 0.104 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.924 -13.211 1.211 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.211 -11.993 1.371 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.098 -12.978 -0.107 1.00 0.00 H new ATOM 20 N PRO A 2 8.126 -16.401 0.524 1.00 0.00 N ATOM 21 CA PRO A 2 9.436 -17.011 0.762 1.00 0.00 C ATOM 22 C PRO A 2 10.039 -16.543 2.079 1.00 0.00 C ATOM 23 O PRO A 2 9.900 -15.379 2.454 1.00 0.00 O ATOM 24 CB PRO A 2 10.285 -16.533 -0.422 1.00 0.00 C ATOM 25 CG PRO A 2 9.599 -15.307 -0.918 1.00 0.00 C ATOM 26 CD PRO A 2 8.135 -15.513 -0.650 1.00 0.00 C ATOM 0 HA PRO A 2 9.378 -18.097 0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.307 -16.315 -0.112 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.343 -17.295 -1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.968 -14.419 -0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.784 -15.160 -1.982 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.627 -14.570 -0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.630 -15.968 -1.502 1.00 0.00 H new ATOM 34 N LEU A 3 10.702 -17.449 2.779 1.00 0.00 N ATOM 35 CA LEU A 3 11.277 -17.132 4.078 1.00 0.00 C ATOM 36 C LEU A 3 12.679 -16.558 3.915 1.00 0.00 C ATOM 37 O LEU A 3 13.213 -16.516 2.802 1.00 0.00 O ATOM 38 CB LEU A 3 11.310 -18.369 4.986 1.00 0.00 C ATOM 39 CG LEU A 3 9.958 -18.832 5.544 1.00 0.00 C ATOM 40 CD1 LEU A 3 9.077 -19.418 4.452 1.00 0.00 C ATOM 41 CD2 LEU A 3 10.168 -19.847 6.654 1.00 0.00 C ATOM 0 H LEU A 3 10.856 -18.409 2.471 1.00 0.00 H new ATOM 0 HA LEU A 3 10.643 -16.382 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.751 -19.194 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.975 -18.162 5.825 1.00 0.00 H new ATOM 0 HG LEU A 3 9.447 -17.959 5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.127 -19.736 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.894 -18.663 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.577 -20.276 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.201 -20.168 7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.706 -20.710 6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.748 -19.393 7.457 1.00 0.00 H new ATOM 53 N THR A 4 13.266 -16.116 5.027 1.00 0.00 N ATOM 54 CA THR A 4 14.566 -15.454 5.017 1.00 0.00 C ATOM 55 C THR A 4 14.459 -14.138 4.245 1.00 0.00 C ATOM 56 O THR A 4 15.407 -13.691 3.594 1.00 0.00 O ATOM 57 CB THR A 4 15.659 -16.349 4.388 1.00 0.00 C ATOM 58 OG1 THR A 4 15.464 -17.713 4.786 1.00 0.00 O ATOM 59 CG2 THR A 4 17.049 -15.902 4.823 1.00 0.00 C ATOM 0 H THR A 4 12.854 -16.207 5.956 1.00 0.00 H new ATOM 0 HA THR A 4 14.856 -15.258 6.049 1.00 0.00 H new ATOM 0 HB THR A 4 15.581 -16.261 3.304 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.159 -18.274 4.382 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.799 -16.548 4.366 1.00 0.00 H new ATOM 0 HG22 THR A 4 17.216 -14.873 4.506 1.00 0.00 H new ATOM 0 HG23 THR A 4 17.128 -15.965 5.908 1.00 0.00 H new ATOM 67 N ASP A 5 13.288 -13.520 4.333 1.00 0.00 N ATOM 68 CA ASP A 5 13.008 -12.290 3.603 1.00 0.00 C ATOM 69 C ASP A 5 13.646 -11.081 4.271 1.00 0.00 C ATOM 70 O ASP A 5 13.937 -11.089 5.468 1.00 0.00 O ATOM 71 CB ASP A 5 11.499 -12.058 3.472 1.00 0.00 C ATOM 72 CG ASP A 5 10.785 -12.058 4.812 1.00 0.00 C ATOM 73 OD1 ASP A 5 10.379 -13.143 5.281 1.00 0.00 O ATOM 74 OD2 ASP A 5 10.630 -10.974 5.406 1.00 0.00 O ATOM 0 H ASP A 5 12.513 -13.853 4.906 1.00 0.00 H new ATOM 0 HA ASP A 5 13.442 -12.409 2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.325 -11.105 2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.071 -12.834 2.837 1.00 0.00 H new ATOM 79 N PRO A 6 13.893 -10.038 3.475 1.00 0.00 N ATOM 80 CA PRO A 6 14.400 -8.753 3.955 1.00 0.00 C ATOM 81 C PRO A 6 13.274 -7.815 4.388 1.00 0.00 C ATOM 82 O PRO A 6 13.501 -6.638 4.682 1.00 0.00 O ATOM 83 CB PRO A 6 15.080 -8.199 2.710 1.00 0.00 C ATOM 84 CG PRO A 6 14.227 -8.687 1.587 1.00 0.00 C ATOM 85 CD PRO A 6 13.726 -10.045 2.010 1.00 0.00 C ATOM 0 HA PRO A 6 15.045 -8.853 4.828 1.00 0.00 H new ATOM 0 HB2 PRO A 6 15.127 -7.110 2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 6 16.104 -8.561 2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 6 13.397 -8.005 1.401 1.00 0.00 H new ATOM 0 HG3 PRO A 6 14.799 -8.752 0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 6 12.684 -10.194 1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 6 14.300 -10.846 1.545 1.00 0.00 H new ATOM 93 N ALA A 7 12.060 -8.344 4.416 1.00 0.00 N ATOM 94 CA ALA A 7 10.880 -7.536 4.665 1.00 0.00 C ATOM 95 C ALA A 7 10.655 -7.312 6.155 1.00 0.00 C ATOM 96 O ALA A 7 11.359 -7.863 7.001 1.00 0.00 O ATOM 97 CB ALA A 7 9.655 -8.182 4.031 1.00 0.00 C ATOM 0 H ALA A 7 11.868 -9.335 4.268 1.00 0.00 H new ATOM 0 HA ALA A 7 11.043 -6.560 4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.777 -7.566 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.806 -8.270 2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.504 -9.173 4.458 1.00 0.00 H new ATOM 103 N LYS A 8 9.673 -6.480 6.458 1.00 0.00 N ATOM 104 CA LYS A 8 9.315 -6.161 7.830 1.00 0.00 C ATOM 105 C LYS A 8 7.830 -6.447 8.026 1.00 0.00 C ATOM 106 O LYS A 8 7.228 -7.131 7.201 1.00 0.00 O ATOM 107 CB LYS A 8 9.628 -4.691 8.155 1.00 0.00 C ATOM 108 CG LYS A 8 11.111 -4.381 8.355 1.00 0.00 C ATOM 109 CD LYS A 8 11.900 -4.445 7.056 1.00 0.00 C ATOM 110 CE LYS A 8 13.372 -4.148 7.288 1.00 0.00 C ATOM 111 NZ LYS A 8 14.174 -4.286 6.046 1.00 0.00 N ATOM 0 H LYS A 8 9.101 -6.006 5.759 1.00 0.00 H new ATOM 0 HA LYS A 8 9.904 -6.778 8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.246 -4.066 7.348 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.087 -4.410 9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.216 -3.388 8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.534 -5.088 9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.792 -5.434 6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.490 -3.729 6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.480 -3.136 7.678 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.762 -4.825 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.185 -4.327 6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.901 -5.159 5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.999 -3.468 5.427 1.00 0.00 H new ATOM 125 N LEU A 9 7.247 -5.927 9.100 1.00 0.00 N ATOM 126 CA LEU A 9 5.830 -6.151 9.390 1.00 0.00 C ATOM 127 C LEU A 9 4.946 -5.675 8.237 1.00 0.00 C ATOM 128 O LEU A 9 4.320 -6.482 7.553 1.00 0.00 O ATOM 129 CB LEU A 9 5.412 -5.433 10.681 1.00 0.00 C ATOM 130 CG LEU A 9 5.831 -6.101 11.994 1.00 0.00 C ATOM 131 CD1 LEU A 9 7.331 -6.025 12.183 1.00 0.00 C ATOM 132 CD2 LEU A 9 5.110 -5.452 13.167 1.00 0.00 C ATOM 0 H LEU A 9 7.731 -5.347 9.786 1.00 0.00 H new ATOM 0 HA LEU A 9 5.694 -7.225 9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.827 -4.425 10.662 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.327 -5.331 10.680 1.00 0.00 H new ATOM 0 HG LEU A 9 5.550 -7.153 11.950 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.604 -6.506 13.122 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.828 -6.533 11.357 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.642 -4.981 12.206 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.416 -5.935 14.095 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.364 -4.393 13.209 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.033 -5.562 13.038 1.00 0.00 H new ATOM 144 N GLN A 10 4.924 -4.361 8.024 1.00 0.00 N ATOM 145 CA GLN A 10 4.068 -3.744 7.011 1.00 0.00 C ATOM 146 C GLN A 10 2.633 -4.274 7.084 1.00 0.00 C ATOM 147 O GLN A 10 1.909 -3.996 8.038 1.00 0.00 O ATOM 148 CB GLN A 10 4.641 -3.937 5.597 1.00 0.00 C ATOM 149 CG GLN A 10 5.739 -2.948 5.230 1.00 0.00 C ATOM 150 CD GLN A 10 7.039 -3.183 5.973 1.00 0.00 C ATOM 151 OE1 GLN A 10 7.238 -2.674 7.072 1.00 0.00 O ATOM 152 NE2 GLN A 10 7.946 -3.932 5.364 1.00 0.00 N ATOM 0 H GLN A 10 5.496 -3.696 8.545 1.00 0.00 H new ATOM 0 HA GLN A 10 4.043 -2.676 7.225 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.036 -4.949 5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.831 -3.849 4.873 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.927 -3.008 4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.390 -1.936 5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.742 -4.338 4.451 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.848 -4.103 5.809 1.00 0.00 H new ATOM 161 N ILE A 11 2.235 -5.036 6.071 1.00 0.00 N ATOM 162 CA ILE A 11 0.901 -5.618 6.013 1.00 0.00 C ATOM 163 C ILE A 11 0.968 -7.028 5.434 1.00 0.00 C ATOM 164 O ILE A 11 -0.053 -7.633 5.114 1.00 0.00 O ATOM 165 CB ILE A 11 -0.079 -4.746 5.174 1.00 0.00 C ATOM 166 CG1 ILE A 11 0.535 -4.338 3.834 1.00 0.00 C ATOM 167 CG2 ILE A 11 -0.523 -3.521 5.954 1.00 0.00 C ATOM 168 CD1 ILE A 11 0.504 -5.445 2.807 1.00 0.00 C ATOM 0 H ILE A 11 2.825 -5.266 5.271 1.00 0.00 H new ATOM 0 HA ILE A 11 0.518 -5.659 7.033 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.957 -5.357 4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.001 -3.473 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.568 -4.027 3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.207 -2.930 5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.029 -3.835 6.867 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.348 -2.918 6.211 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.954 -5.093 1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.064 -6.303 3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.529 -5.740 2.621 1.00 0.00 H new ATOM 180 N VAL A 12 2.181 -7.546 5.308 1.00 0.00 N ATOM 181 CA VAL A 12 2.394 -8.836 4.669 1.00 0.00 C ATOM 182 C VAL A 12 1.840 -9.975 5.517 1.00 0.00 C ATOM 183 O VAL A 12 2.259 -10.181 6.659 1.00 0.00 O ATOM 184 CB VAL A 12 3.885 -9.085 4.344 1.00 0.00 C ATOM 185 CG1 VAL A 12 4.326 -8.209 3.181 1.00 0.00 C ATOM 186 CG2 VAL A 12 4.766 -8.830 5.558 1.00 0.00 C ATOM 0 H VAL A 12 3.032 -7.093 5.640 1.00 0.00 H new ATOM 0 HA VAL A 12 1.848 -8.810 3.726 1.00 0.00 H new ATOM 0 HB VAL A 12 3.995 -10.132 4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.378 -8.395 2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.727 -8.443 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.190 -7.160 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.808 -9.014 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.650 -7.795 5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.472 -9.498 6.368 1.00 0.00 H new ATOM 196 N GLN A 13 0.875 -10.693 4.934 1.00 0.00 N ATOM 197 CA GLN A 13 0.208 -11.825 5.578 1.00 0.00 C ATOM 198 C GLN A 13 -0.768 -11.347 6.652 1.00 0.00 C ATOM 199 O GLN A 13 -0.446 -10.470 7.456 1.00 0.00 O ATOM 200 CB GLN A 13 1.223 -12.821 6.155 1.00 0.00 C ATOM 201 CG GLN A 13 2.133 -13.427 5.097 1.00 0.00 C ATOM 202 CD GLN A 13 3.118 -14.431 5.662 1.00 0.00 C ATOM 203 OE1 GLN A 13 2.827 -15.623 5.745 1.00 0.00 O ATOM 204 NE2 GLN A 13 4.291 -13.960 6.050 1.00 0.00 N ATOM 0 H GLN A 13 0.533 -10.501 3.992 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.365 -12.349 4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.833 -12.316 6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.688 -13.621 6.666 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.522 -13.915 4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.683 -12.628 4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.494 -12.964 5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.993 -14.593 6.435 1.00 0.00 H new ATOM 213 N GLN A 14 -1.973 -11.924 6.628 1.00 0.00 N ATOM 214 CA GLN A 14 -3.065 -11.569 7.546 1.00 0.00 C ATOM 215 C GLN A 14 -3.690 -10.214 7.200 1.00 0.00 C ATOM 216 O GLN A 14 -4.913 -10.087 7.149 1.00 0.00 O ATOM 217 CB GLN A 14 -2.604 -11.580 9.010 1.00 0.00 C ATOM 218 CG GLN A 14 -2.219 -12.960 9.517 1.00 0.00 C ATOM 219 CD GLN A 14 -1.854 -12.961 10.987 1.00 0.00 C ATOM 220 OE1 GLN A 14 -2.710 -13.138 11.852 1.00 0.00 O ATOM 221 NE2 GLN A 14 -0.582 -12.762 11.281 1.00 0.00 N ATOM 0 H GLN A 14 -2.223 -12.658 5.965 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.830 -12.335 7.421 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.750 -10.911 9.118 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.402 -11.182 9.636 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.048 -13.648 9.352 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.375 -13.334 8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.098 -12.619 10.534 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.279 -12.751 12.255 1.00 0.00 H new ATOM 230 N ARG A 15 -2.858 -9.209 6.960 1.00 0.00 N ATOM 231 CA ARG A 15 -3.350 -7.870 6.657 1.00 0.00 C ATOM 232 C ARG A 15 -3.760 -7.757 5.195 1.00 0.00 C ATOM 233 O ARG A 15 -2.928 -7.845 4.295 1.00 0.00 O ATOM 234 CB ARG A 15 -2.300 -6.813 7.002 1.00 0.00 C ATOM 235 CG ARG A 15 -1.783 -6.932 8.422 1.00 0.00 C ATOM 236 CD ARG A 15 -1.078 -5.668 8.880 1.00 0.00 C ATOM 237 NE ARG A 15 -0.765 -5.710 10.308 1.00 0.00 N ATOM 238 CZ ARG A 15 -1.388 -4.966 11.222 1.00 0.00 C ATOM 239 NH1 ARG A 15 -2.345 -4.120 10.849 1.00 0.00 N ATOM 240 NH2 ARG A 15 -1.060 -5.066 12.504 1.00 0.00 N ATOM 0 H ARG A 15 -1.842 -9.294 6.969 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.232 -7.692 7.273 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.464 -6.900 6.308 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.730 -5.822 6.860 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.614 -7.147 9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.095 -7.775 8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.158 -5.537 8.310 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.708 -4.804 8.671 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.030 -6.343 10.622 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.601 -4.041 9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.823 -3.550 11.547 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.328 -5.714 12.794 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.540 -4.494 13.199 1.00 0.00 H new ATOM 254 N VAL A 16 -5.052 -7.570 4.969 1.00 0.00 N ATOM 255 CA VAL A 16 -5.581 -7.430 3.618 1.00 0.00 C ATOM 256 C VAL A 16 -5.723 -5.946 3.269 1.00 0.00 C ATOM 257 O VAL A 16 -6.476 -5.558 2.372 1.00 0.00 O ATOM 258 CB VAL A 16 -6.947 -8.145 3.471 1.00 0.00 C ATOM 259 CG1 VAL A 16 -7.274 -8.400 2.006 1.00 0.00 C ATOM 260 CG2 VAL A 16 -6.962 -9.451 4.256 1.00 0.00 C ATOM 0 H VAL A 16 -5.756 -7.511 5.705 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.881 -7.901 2.927 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.714 -7.488 3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.238 -8.903 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.317 -7.451 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.501 -9.029 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.931 -9.935 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.179 -10.110 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.787 -9.243 5.312 1.00 0.00 H new ATOM 270 N PHE A 17 -4.979 -5.118 3.990 1.00 0.00 N ATOM 271 CA PHE A 17 -4.973 -3.684 3.752 1.00 0.00 C ATOM 272 C PHE A 17 -4.178 -3.369 2.493 1.00 0.00 C ATOM 273 O PHE A 17 -3.318 -4.150 2.082 1.00 0.00 O ATOM 274 CB PHE A 17 -4.371 -2.939 4.948 1.00 0.00 C ATOM 275 CG PHE A 17 -5.118 -3.152 6.235 1.00 0.00 C ATOM 276 CD1 PHE A 17 -6.285 -2.455 6.496 1.00 0.00 C ATOM 277 CD2 PHE A 17 -4.648 -4.048 7.182 1.00 0.00 C ATOM 278 CE1 PHE A 17 -6.972 -2.650 7.680 1.00 0.00 C ATOM 279 CE2 PHE A 17 -5.329 -4.246 8.367 1.00 0.00 C ATOM 280 CZ PHE A 17 -6.493 -3.545 8.616 1.00 0.00 C ATOM 0 H PHE A 17 -4.368 -5.419 4.749 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.003 -3.352 3.620 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.338 -3.260 5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.347 -1.872 4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.663 -1.752 5.768 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.738 -4.598 6.991 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.883 -2.103 7.873 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.953 -4.947 9.097 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.028 -3.697 9.542 1.00 0.00 H new ATOM 290 N LEU A 18 -4.462 -2.231 1.885 1.00 0.00 N ATOM 291 CA LEU A 18 -3.788 -1.850 0.657 1.00 0.00 C ATOM 292 C LEU A 18 -2.617 -0.925 0.940 1.00 0.00 C ATOM 293 O LEU A 18 -2.344 -0.575 2.087 1.00 0.00 O ATOM 294 CB LEU A 18 -4.755 -1.186 -0.320 1.00 0.00 C ATOM 295 CG LEU A 18 -5.855 -2.099 -0.865 1.00 0.00 C ATOM 296 CD1 LEU A 18 -6.733 -1.341 -1.843 1.00 0.00 C ATOM 297 CD2 LEU A 18 -5.251 -3.325 -1.534 1.00 0.00 C ATOM 0 H LEU A 18 -5.151 -1.558 2.220 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.406 -2.763 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.223 -0.336 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.184 -0.790 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.471 -2.432 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.511 -2.003 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.194 -0.493 -1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.126 -0.981 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.049 -3.962 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.612 -3.011 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.659 -3.881 -0.807 1.00 0.00 H new ATOM 309 N LYS A 19 -1.934 -0.534 -0.119 1.00 0.00 N ATOM 310 CA LYS A 19 -0.747 0.288 -0.008 1.00 0.00 C ATOM 311 C LYS A 19 -0.976 1.642 -0.671 1.00 0.00 C ATOM 312 O LYS A 19 -1.986 1.852 -1.347 1.00 0.00 O ATOM 313 CB LYS A 19 0.429 -0.431 -0.664 1.00 0.00 C ATOM 314 CG LYS A 19 0.752 -1.782 -0.040 1.00 0.00 C ATOM 315 CD LYS A 19 1.649 -1.642 1.178 1.00 0.00 C ATOM 316 CE LYS A 19 2.620 -2.809 1.264 1.00 0.00 C ATOM 317 NZ LYS A 19 3.474 -2.910 0.048 1.00 0.00 N ATOM 0 H LYS A 19 -2.186 -0.777 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.524 0.457 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.210 -0.574 -1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.311 0.206 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.174 -2.281 0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.240 -2.416 -0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.202 -0.705 1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.041 -1.601 2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.253 -2.691 2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.063 -3.737 1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.418 -3.256 0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.040 -3.572 -0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.561 -1.973 -0.394 1.00 0.00 H new ATOM 331 N LYS A 20 -0.038 2.557 -0.474 1.00 0.00 N ATOM 332 CA LYS A 20 -0.157 3.900 -1.023 1.00 0.00 C ATOM 333 C LYS A 20 0.600 4.026 -2.326 1.00 0.00 C ATOM 334 O LYS A 20 1.753 3.618 -2.429 1.00 0.00 O ATOM 335 CB LYS A 20 0.369 4.925 -0.029 1.00 0.00 C ATOM 336 CG LYS A 20 -0.190 4.735 1.363 1.00 0.00 C ATOM 337 CD LYS A 20 0.477 5.654 2.360 1.00 0.00 C ATOM 338 CE LYS A 20 1.963 5.369 2.477 1.00 0.00 C ATOM 339 NZ LYS A 20 2.586 6.236 3.506 1.00 0.00 N ATOM 0 H LYS A 20 0.814 2.394 0.062 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.213 4.088 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.456 4.861 0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.121 5.926 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.263 4.925 1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.052 3.699 1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.328 6.690 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.006 5.536 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.118 4.321 2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.447 5.535 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.615 6.085 3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.383 7.233 3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.197 5.999 4.441 1.00 0.00 H new ATOM 353 N VAL A 21 -0.054 4.607 -3.311 1.00 0.00 N ATOM 354 CA VAL A 21 0.544 4.804 -4.609 1.00 0.00 C ATOM 355 C VAL A 21 0.862 6.280 -4.829 1.00 0.00 C ATOM 356 O VAL A 21 0.025 7.152 -4.607 1.00 0.00 O ATOM 357 CB VAL A 21 -0.368 4.258 -5.736 1.00 0.00 C ATOM 358 CG1 VAL A 21 -1.740 4.911 -5.708 1.00 0.00 C ATOM 359 CG2 VAL A 21 0.287 4.434 -7.096 1.00 0.00 C ATOM 0 H VAL A 21 -1.010 4.953 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 21 1.477 4.242 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.507 3.191 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.353 4.504 -6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.219 4.710 -4.750 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.633 5.987 -5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.373 4.043 -7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.471 5.493 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.233 3.892 -7.117 1.00 0.00 H new ATOM 369 N CYS A 22 2.104 6.547 -5.197 1.00 0.00 N ATOM 370 CA CYS A 22 2.548 7.887 -5.536 1.00 0.00 C ATOM 371 C CYS A 22 1.763 8.426 -6.718 1.00 0.00 C ATOM 372 O CYS A 22 1.670 7.775 -7.749 1.00 0.00 O ATOM 373 CB CYS A 22 4.038 7.842 -5.872 1.00 0.00 C ATOM 374 SG CYS A 22 4.731 9.336 -6.659 1.00 0.00 S ATOM 0 H CYS A 22 2.834 5.838 -5.269 1.00 0.00 H new ATOM 0 HA CYS A 22 2.379 8.550 -4.687 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.591 7.651 -4.952 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.215 6.993 -6.533 1.00 0.00 H new ATOM 379 N ARG A 23 1.209 9.617 -6.575 1.00 0.00 N ATOM 380 CA ARG A 23 0.451 10.218 -7.669 1.00 0.00 C ATOM 381 C ARG A 23 1.376 10.962 -8.636 1.00 0.00 C ATOM 382 O ARG A 23 0.918 11.662 -9.536 1.00 0.00 O ATOM 383 CB ARG A 23 -0.649 11.137 -7.139 1.00 0.00 C ATOM 384 CG ARG A 23 -0.218 12.031 -5.998 1.00 0.00 C ATOM 385 CD ARG A 23 -1.406 12.784 -5.421 1.00 0.00 C ATOM 386 NE ARG A 23 -1.073 13.461 -4.173 1.00 0.00 N ATOM 387 CZ ARG A 23 -1.799 13.382 -3.057 1.00 0.00 C ATOM 388 NH1 ARG A 23 -2.922 12.674 -3.029 1.00 0.00 N ATOM 389 NH2 ARG A 23 -1.403 14.020 -1.963 1.00 0.00 N ATOM 0 H ARG A 23 1.265 10.183 -5.728 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.030 9.412 -8.223 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.011 11.760 -7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.489 10.526 -6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.251 11.431 -5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.532 12.740 -6.349 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.758 13.516 -6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.226 12.088 -5.247 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.229 14.033 -4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.237 12.184 -3.866 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.470 12.620 -2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.544 14.570 -1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.957 13.960 -1.109 1.00 0.00 H new ATOM 403 N LYS A 24 2.680 10.808 -8.430 1.00 0.00 N ATOM 404 CA LYS A 24 3.681 11.362 -9.336 1.00 0.00 C ATOM 405 C LYS A 24 4.240 10.278 -10.263 1.00 0.00 C ATOM 406 O LYS A 24 4.334 10.478 -11.474 1.00 0.00 O ATOM 407 CB LYS A 24 4.815 12.009 -8.533 1.00 0.00 C ATOM 408 CG LYS A 24 4.346 13.040 -7.517 1.00 0.00 C ATOM 409 CD LYS A 24 4.078 14.410 -8.138 1.00 0.00 C ATOM 410 CE LYS A 24 2.828 14.430 -9.007 1.00 0.00 C ATOM 411 NZ LYS A 24 3.114 14.920 -10.379 1.00 0.00 N ATOM 0 H LYS A 24 3.071 10.300 -7.637 1.00 0.00 H new ATOM 0 HA LYS A 24 3.202 12.122 -9.953 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.369 11.228 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.510 12.486 -9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.436 12.681 -7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.100 13.142 -6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.975 15.150 -7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.938 14.706 -8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.407 13.426 -9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.074 15.067 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.237 14.918 -10.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.492 15.888 -10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.814 14.298 -10.831 1.00 0.00 H new ATOM 425 N CYS A 25 4.610 9.130 -9.692 1.00 0.00 N ATOM 426 CA CYS A 25 5.115 8.006 -10.489 1.00 0.00 C ATOM 427 C CYS A 25 4.021 6.994 -10.745 1.00 0.00 C ATOM 428 O CYS A 25 3.908 6.431 -11.832 1.00 0.00 O ATOM 429 CB CYS A 25 6.226 7.224 -9.773 1.00 0.00 C ATOM 430 SG CYS A 25 7.538 8.201 -8.996 1.00 0.00 S ATOM 0 H CYS A 25 4.571 8.953 -8.688 1.00 0.00 H new ATOM 0 HA CYS A 25 5.491 8.457 -11.407 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.764 6.603 -9.005 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.686 6.549 -10.495 1.00 0.00 H new ATOM 435 N GLY A 26 3.217 6.771 -9.723 1.00 0.00 N ATOM 436 CA GLY A 26 2.473 5.542 -9.630 1.00 0.00 C ATOM 437 C GLY A 26 3.273 4.525 -8.842 1.00 0.00 C ATOM 438 O GLY A 26 3.091 3.318 -8.980 1.00 0.00 O ATOM 0 H GLY A 26 3.067 7.423 -8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.514 5.721 -9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.259 5.158 -10.627 1.00 0.00 H new ATOM 442 N ALA A 27 4.190 5.041 -8.023 1.00 0.00 N ATOM 443 CA ALA A 27 5.068 4.211 -7.211 1.00 0.00 C ATOM 444 C ALA A 27 4.398 3.846 -5.903 1.00 0.00 C ATOM 445 O ALA A 27 4.131 4.714 -5.070 1.00 0.00 O ATOM 446 CB ALA A 27 6.384 4.933 -6.939 1.00 0.00 C ATOM 0 H ALA A 27 4.342 6.043 -7.907 1.00 0.00 H new ATOM 0 HA ALA A 27 5.277 3.295 -7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.028 4.298 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.880 5.154 -7.884 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.185 5.864 -6.407 1.00 0.00 H new ATOM 452 N LEU A 28 4.129 2.569 -5.728 1.00 0.00 N ATOM 453 CA LEU A 28 3.471 2.092 -4.529 1.00 0.00 C ATOM 454 C LEU A 28 4.490 1.890 -3.419 1.00 0.00 C ATOM 455 O LEU A 28 5.493 1.197 -3.603 1.00 0.00 O ATOM 456 CB LEU A 28 2.727 0.788 -4.815 1.00 0.00 C ATOM 457 CG LEU A 28 1.837 0.819 -6.058 1.00 0.00 C ATOM 458 CD1 LEU A 28 2.557 0.220 -7.257 1.00 0.00 C ATOM 459 CD2 LEU A 28 0.531 0.090 -5.795 1.00 0.00 C ATOM 0 H LEU A 28 4.357 1.840 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 28 2.746 2.839 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.457 -0.014 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.112 0.540 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 28 1.610 1.860 -6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.903 0.254 -8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.462 0.792 -7.461 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.822 -0.815 -7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.090 0.122 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.740 -0.948 -5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.005 0.572 -4.971 1.00 0.00 H new ATOM 471 N ASN A 29 4.238 2.512 -2.279 1.00 0.00 N ATOM 472 CA ASN A 29 5.143 2.435 -1.154 1.00 0.00 C ATOM 473 C ASN A 29 4.453 1.729 -0.006 1.00 0.00 C ATOM 474 O ASN A 29 3.221 1.710 0.063 1.00 0.00 O ATOM 475 CB ASN A 29 5.573 3.840 -0.732 1.00 0.00 C ATOM 476 CG ASN A 29 6.499 4.491 -1.742 1.00 0.00 C ATOM 477 OD1 ASN A 29 7.715 4.435 -1.610 1.00 0.00 O ATOM 478 ND2 ASN A 29 5.936 5.101 -2.774 1.00 0.00 N ATOM 0 H ASN A 29 3.407 3.079 -2.112 1.00 0.00 H new ATOM 0 HA ASN A 29 6.032 1.873 -1.439 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.688 4.463 -0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.074 3.788 0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.519 5.541 -3.486 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.920 5.131 -2.856 1.00 0.00 H new ATOM 485 N PRO A 30 5.218 1.121 0.908 1.00 0.00 N ATOM 486 CA PRO A 30 4.636 0.452 2.061 1.00 0.00 C ATOM 487 C PRO A 30 3.939 1.450 2.973 1.00 0.00 C ATOM 488 O PRO A 30 4.286 2.629 2.992 1.00 0.00 O ATOM 489 CB PRO A 30 5.833 -0.196 2.763 1.00 0.00 C ATOM 490 CG PRO A 30 7.021 0.569 2.294 1.00 0.00 C ATOM 491 CD PRO A 30 6.695 1.048 0.901 1.00 0.00 C ATOM 0 HA PRO A 30 3.875 -0.277 1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.731 -0.140 3.847 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.917 -1.252 2.505 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.228 1.410 2.956 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.911 -0.060 2.290 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.145 2.018 0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.061 0.357 0.141 1.00 0.00 H new ATOM 499 N ILE A 31 2.956 0.981 3.729 1.00 0.00 N ATOM 500 CA ILE A 31 2.202 1.850 4.627 1.00 0.00 C ATOM 501 C ILE A 31 3.118 2.431 5.709 1.00 0.00 C ATOM 502 O ILE A 31 2.782 3.412 6.363 1.00 0.00 O ATOM 503 CB ILE A 31 1.014 1.105 5.290 1.00 0.00 C ATOM 504 CG1 ILE A 31 1.484 0.148 6.399 1.00 0.00 C ATOM 505 CG2 ILE A 31 0.223 0.341 4.239 1.00 0.00 C ATOM 506 CD1 ILE A 31 2.285 -1.038 5.905 1.00 0.00 C ATOM 0 H ILE A 31 2.661 0.005 3.740 1.00 0.00 H new ATOM 0 HA ILE A 31 1.796 2.661 4.023 1.00 0.00 H new ATOM 0 HB ILE A 31 0.372 1.855 5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.089 0.708 7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.611 -0.218 6.940 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.608 -0.178 4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.163 1.039 3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.873 -0.386 3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.575 -1.659 6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.678 -1.625 5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.179 -0.685 5.391 1.00 0.00 H new ATOM 518 N ARG A 32 4.285 1.812 5.876 1.00 0.00 N ATOM 519 CA ARG A 32 5.274 2.260 6.849 1.00 0.00 C ATOM 520 C ARG A 32 6.095 3.412 6.285 1.00 0.00 C ATOM 521 O ARG A 32 6.602 4.249 7.033 1.00 0.00 O ATOM 522 CB ARG A 32 6.207 1.108 7.219 1.00 0.00 C ATOM 523 CG ARG A 32 5.485 -0.147 7.683 1.00 0.00 C ATOM 524 CD ARG A 32 4.939 -0.017 9.100 1.00 0.00 C ATOM 525 NE ARG A 32 3.907 1.011 9.222 1.00 0.00 N ATOM 526 CZ ARG A 32 3.592 1.617 10.367 1.00 0.00 C ATOM 527 NH1 ARG A 32 4.255 1.332 11.481 1.00 0.00 N ATOM 528 NH2 ARG A 32 2.617 2.514 10.402 1.00 0.00 N ATOM 0 H ARG A 32 4.569 0.990 5.343 1.00 0.00 H new ATOM 0 HA ARG A 32 4.746 2.601 7.740 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.824 0.862 6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.882 1.439 8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.664 -0.364 6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.170 -0.994 7.637 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.528 -0.976 9.414 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.759 0.216 9.779 1.00 0.00 H new ATOM 0 HE ARG A 32 3.397 1.281 8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.010 0.646 11.464 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.010 1.799 12.354 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.104 2.743 9.551 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.379 2.975 11.280 1.00 0.00 H new ATOM 542 N ALA A 33 6.223 3.444 4.962 1.00 0.00 N ATOM 543 CA ALA A 33 6.992 4.481 4.294 1.00 0.00 C ATOM 544 C ALA A 33 6.277 5.808 4.401 1.00 0.00 C ATOM 545 O ALA A 33 5.058 5.876 4.264 1.00 0.00 O ATOM 546 CB ALA A 33 7.218 4.135 2.835 1.00 0.00 C ATOM 0 H ALA A 33 5.802 2.761 4.333 1.00 0.00 H new ATOM 0 HA ALA A 33 7.962 4.553 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.796 4.927 2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.765 3.195 2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.256 4.034 2.332 1.00 0.00 H new ATOM 552 N THR A 34 7.026 6.858 4.640 1.00 0.00 N ATOM 553 CA THR A 34 6.438 8.165 4.824 1.00 0.00 C ATOM 554 C THR A 34 6.304 8.901 3.497 1.00 0.00 C ATOM 555 O THR A 34 5.566 9.883 3.391 1.00 0.00 O ATOM 556 CB THR A 34 7.272 9.003 5.808 1.00 0.00 C ATOM 557 OG1 THR A 34 8.636 9.066 5.366 1.00 0.00 O ATOM 558 CG2 THR A 34 7.216 8.400 7.203 1.00 0.00 C ATOM 0 H THR A 34 8.043 6.834 4.712 1.00 0.00 H new ATOM 0 HA THR A 34 5.441 8.022 5.240 1.00 0.00 H new ATOM 0 HB THR A 34 6.855 10.010 5.842 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.160 9.603 5.997 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.812 9.006 7.886 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.182 8.375 7.548 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.614 7.386 7.177 1.00 0.00 H new ATOM 566 N LYS A 35 7.004 8.417 2.478 1.00 0.00 N ATOM 567 CA LYS A 35 6.981 9.072 1.188 1.00 0.00 C ATOM 568 C LYS A 35 7.373 8.126 0.068 1.00 0.00 C ATOM 569 O LYS A 35 7.700 6.966 0.294 1.00 0.00 O ATOM 570 CB LYS A 35 7.912 10.282 1.200 1.00 0.00 C ATOM 571 CG LYS A 35 9.378 9.945 1.394 1.00 0.00 C ATOM 572 CD LYS A 35 10.182 11.195 1.693 1.00 0.00 C ATOM 573 CE LYS A 35 11.578 10.860 2.198 1.00 0.00 C ATOM 574 NZ LYS A 35 12.316 12.077 2.624 1.00 0.00 N ATOM 0 H LYS A 35 7.587 7.581 2.524 1.00 0.00 H new ATOM 0 HA LYS A 35 5.958 9.400 1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.798 10.822 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.599 10.958 1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.487 9.233 2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.767 9.463 0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.257 11.803 0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.659 11.794 2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.505 10.167 3.036 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.137 10.352 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.262 11.809 2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.408 12.727 1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.795 12.548 3.391 1.00 0.00 H new ATOM 588 N CYS A 36 7.325 8.657 -1.141 1.00 0.00 N ATOM 589 CA CYS A 36 7.690 7.927 -2.341 1.00 0.00 C ATOM 590 C CYS A 36 9.162 7.560 -2.302 1.00 0.00 C ATOM 591 O CYS A 36 10.001 8.421 -2.079 1.00 0.00 O ATOM 592 CB CYS A 36 7.438 8.819 -3.550 1.00 0.00 C ATOM 593 SG CYS A 36 7.857 8.074 -5.160 1.00 0.00 S ATOM 0 H CYS A 36 7.029 9.617 -1.318 1.00 0.00 H new ATOM 0 HA CYS A 36 7.095 7.016 -2.404 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.385 9.102 -3.561 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.013 9.737 -3.431 1.00 0.00 H new ATOM 598 N ARG A 37 9.485 6.303 -2.528 1.00 0.00 N ATOM 599 CA ARG A 37 10.880 5.903 -2.620 1.00 0.00 C ATOM 600 C ARG A 37 11.419 6.135 -4.034 1.00 0.00 C ATOM 601 O ARG A 37 12.443 5.582 -4.427 1.00 0.00 O ATOM 602 CB ARG A 37 11.056 4.449 -2.166 1.00 0.00 C ATOM 603 CG ARG A 37 10.224 3.432 -2.930 1.00 0.00 C ATOM 604 CD ARG A 37 10.170 2.099 -2.193 1.00 0.00 C ATOM 605 NE ARG A 37 11.508 1.598 -1.859 1.00 0.00 N ATOM 606 CZ ARG A 37 11.905 0.333 -2.037 1.00 0.00 C ATOM 607 NH1 ARG A 37 11.066 -0.572 -2.535 1.00 0.00 N ATOM 608 NH2 ARG A 37 13.149 -0.024 -1.724 1.00 0.00 N ATOM 0 H ARG A 37 8.812 5.546 -2.651 1.00 0.00 H new ATOM 0 HA ARG A 37 11.468 6.526 -1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.108 4.180 -2.260 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.803 4.381 -1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.213 3.815 -3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.647 3.284 -3.923 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.588 2.214 -1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.652 1.365 -2.810 1.00 0.00 H new ATOM 0 HE ARG A 37 12.179 2.257 -1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.114 -0.303 -2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.375 -1.535 -2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.799 0.667 -1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.452 -0.988 -1.860 1.00 0.00 H new ATOM 622 N ARG A 38 10.703 6.962 -4.798 1.00 0.00 N ATOM 623 CA ARG A 38 11.175 7.418 -6.106 1.00 0.00 C ATOM 624 C ARG A 38 11.339 8.944 -6.125 1.00 0.00 C ATOM 625 O ARG A 38 12.353 9.456 -6.593 1.00 0.00 O ATOM 626 CB ARG A 38 10.227 6.979 -7.232 1.00 0.00 C ATOM 627 CG ARG A 38 10.421 5.541 -7.705 1.00 0.00 C ATOM 628 CD ARG A 38 10.130 4.530 -6.608 1.00 0.00 C ATOM 629 NE ARG A 38 10.243 3.154 -7.083 1.00 0.00 N ATOM 630 CZ ARG A 38 11.116 2.269 -6.602 1.00 0.00 C ATOM 631 NH1 ARG A 38 12.000 2.625 -5.677 1.00 0.00 N ATOM 632 NH2 ARG A 38 11.118 1.025 -7.052 1.00 0.00 N ATOM 0 H ARG A 38 9.790 7.331 -4.531 1.00 0.00 H new ATOM 0 HA ARG A 38 12.147 6.955 -6.279 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.199 7.099 -6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.360 7.648 -8.082 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.767 5.349 -8.556 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.445 5.411 -8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.822 4.685 -5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.126 4.697 -6.219 1.00 0.00 H new ATOM 0 HE ARG A 38 9.616 2.852 -7.828 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.015 3.583 -5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.664 1.940 -5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.450 0.741 -7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.787 0.350 -6.682 1.00 0.00 H new ATOM 646 N CYS A 39 10.347 9.664 -5.596 1.00 0.00 N ATOM 647 CA CYS A 39 10.411 11.128 -5.537 1.00 0.00 C ATOM 648 C CYS A 39 10.944 11.548 -4.190 1.00 0.00 C ATOM 649 O CYS A 39 11.737 12.479 -4.082 1.00 0.00 O ATOM 650 CB CYS A 39 9.035 11.806 -5.665 1.00 0.00 C ATOM 651 SG CYS A 39 7.997 11.335 -7.077 1.00 0.00 S ATOM 0 H CYS A 39 9.495 9.262 -5.205 1.00 0.00 H new ATOM 0 HA CYS A 39 11.044 11.431 -6.371 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.474 11.603 -4.753 1.00 0.00 H new ATOM 0 HB3 CYS A 39 9.194 12.883 -5.709 1.00 0.00 H new ATOM 656 N HIS A 40 10.485 10.830 -3.163 1.00 0.00 N ATOM 657 CA HIS A 40 10.617 11.271 -1.785 1.00 0.00 C ATOM 658 C HIS A 40 9.837 12.572 -1.613 1.00 0.00 C ATOM 659 O HIS A 40 10.319 13.546 -1.041 1.00 0.00 O ATOM 660 CB HIS A 40 12.088 11.441 -1.387 1.00 0.00 C ATOM 661 CG HIS A 40 12.907 10.195 -1.551 1.00 0.00 C ATOM 662 ND1 HIS A 40 14.016 10.124 -2.366 1.00 0.00 N ATOM 663 CD2 HIS A 40 12.771 8.967 -0.999 1.00 0.00 C ATOM 664 CE1 HIS A 40 14.523 8.907 -2.310 1.00 0.00 C ATOM 665 NE2 HIS A 40 13.787 8.188 -1.486 1.00 0.00 N ATOM 0 H HIS A 40 10.014 9.931 -3.269 1.00 0.00 H new ATOM 0 HA HIS A 40 10.205 10.511 -1.121 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.528 12.236 -1.989 1.00 0.00 H new ATOM 0 HB3 HIS A 40 12.138 11.764 -0.347 1.00 0.00 H new ATOM 0 HD2 HIS A 40 12.004 8.659 -0.304 1.00 0.00 H new ATOM 0 HE1 HIS A 40 15.393 8.559 -2.848 1.00 0.00 H new ATOM 0 HE2 HIS A 40 13.948 7.209 -1.249 1.00 0.00 H new ATOM 674 N SER A 41 8.602 12.550 -2.105 1.00 0.00 N ATOM 675 CA SER A 41 7.776 13.752 -2.209 1.00 0.00 C ATOM 676 C SER A 41 6.601 13.715 -1.243 1.00 0.00 C ATOM 677 O SER A 41 5.794 14.640 -1.214 1.00 0.00 O ATOM 678 CB SER A 41 7.250 13.864 -3.642 1.00 0.00 C ATOM 679 OG SER A 41 6.634 12.648 -4.045 1.00 0.00 O ATOM 0 H SER A 41 8.145 11.703 -2.442 1.00 0.00 H new ATOM 0 HA SER A 41 8.391 14.615 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.532 14.681 -3.709 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.070 14.104 -4.319 1.00 0.00 H new ATOM 0 HG SER A 41 6.302 12.738 -4.963 1.00 0.00 H new ATOM 685 N THR A 42 6.511 12.634 -0.468 1.00 0.00 N ATOM 686 CA THR A 42 5.380 12.380 0.437 1.00 0.00 C ATOM 687 C THR A 42 4.034 12.457 -0.298 1.00 0.00 C ATOM 688 O THR A 42 2.980 12.588 0.319 1.00 0.00 O ATOM 689 CB THR A 42 5.383 13.336 1.664 1.00 0.00 C ATOM 690 OG1 THR A 42 5.231 14.709 1.271 1.00 0.00 O ATOM 691 CG2 THR A 42 6.679 13.187 2.446 1.00 0.00 C ATOM 0 H THR A 42 7.222 11.903 -0.447 1.00 0.00 H new ATOM 0 HA THR A 42 5.508 11.363 0.808 1.00 0.00 H new ATOM 0 HB THR A 42 4.534 13.058 2.289 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.079 14.758 0.304 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.667 13.862 3.302 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.777 12.159 2.796 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.523 13.433 1.802 1.00 0.00 H new ATOM 699 N ASN A 43 4.076 12.315 -1.621 1.00 0.00 N ATOM 700 CA ASN A 43 2.888 12.487 -2.446 1.00 0.00 C ATOM 701 C ASN A 43 2.295 11.132 -2.811 1.00 0.00 C ATOM 702 O ASN A 43 2.384 10.685 -3.960 1.00 0.00 O ATOM 703 CB ASN A 43 3.238 13.270 -3.714 1.00 0.00 C ATOM 704 CG ASN A 43 2.084 14.120 -4.205 1.00 0.00 C ATOM 705 OD1 ASN A 43 1.237 14.546 -3.423 1.00 0.00 O ATOM 706 ND2 ASN A 43 2.049 14.384 -5.500 1.00 0.00 N ATOM 0 H ASN A 43 4.921 12.081 -2.142 1.00 0.00 H new ATOM 0 HA ASN A 43 2.146 13.049 -1.878 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.099 13.909 -3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.532 12.573 -4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.300 14.960 -5.883 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.771 14.011 -6.116 1.00 0.00 H new ATOM 713 N LEU A 44 1.725 10.465 -1.818 1.00 0.00 N ATOM 714 CA LEU A 44 1.155 9.135 -2.005 1.00 0.00 C ATOM 715 C LEU A 44 -0.319 9.136 -1.632 1.00 0.00 C ATOM 716 O LEU A 44 -0.767 9.981 -0.858 1.00 0.00 O ATOM 717 CB LEU A 44 1.883 8.112 -1.131 1.00 0.00 C ATOM 718 CG LEU A 44 3.399 8.277 -1.039 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.970 7.295 -0.030 1.00 0.00 C ATOM 720 CD2 LEU A 44 4.049 8.076 -2.395 1.00 0.00 C ATOM 0 H LEU A 44 1.644 10.825 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 44 1.269 8.864 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.469 8.162 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.667 7.115 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 44 3.614 9.293 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.051 7.421 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.530 7.482 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.739 6.277 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.128 8.199 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.828 7.073 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.659 8.812 -3.098 1.00 0.00 H new ATOM 732 N ARG A 45 -1.063 8.196 -2.186 1.00 0.00 N ATOM 733 CA ARG A 45 -2.455 7.999 -1.811 1.00 0.00 C ATOM 734 C ARG A 45 -2.724 6.512 -1.624 1.00 0.00 C ATOM 735 O ARG A 45 -2.394 5.704 -2.491 1.00 0.00 O ATOM 736 CB ARG A 45 -3.404 8.581 -2.869 1.00 0.00 C ATOM 737 CG ARG A 45 -3.317 7.905 -4.230 1.00 0.00 C ATOM 738 CD ARG A 45 -2.511 8.721 -5.225 1.00 0.00 C ATOM 739 NE ARG A 45 -2.634 8.193 -6.580 1.00 0.00 N ATOM 740 CZ ARG A 45 -3.314 8.799 -7.555 1.00 0.00 C ATOM 741 NH1 ARG A 45 -3.942 9.947 -7.318 1.00 0.00 N ATOM 742 NH2 ARG A 45 -3.376 8.250 -8.758 1.00 0.00 N ATOM 0 H ARG A 45 -0.726 7.552 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.639 8.525 -0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.428 8.504 -2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.188 9.642 -2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.862 6.921 -4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.322 7.748 -4.621 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.850 9.757 -5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.462 8.723 -4.929 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.173 7.309 -6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.905 10.366 -6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.461 10.408 -8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.904 7.364 -8.939 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.896 8.713 -9.504 1.00 0.00 H new ATOM 756 N LEU A 46 -3.288 6.141 -0.488 1.00 0.00 N ATOM 757 CA LEU A 46 -3.589 4.742 -0.232 1.00 0.00 C ATOM 758 C LEU A 46 -4.853 4.348 -0.983 1.00 0.00 C ATOM 759 O LEU A 46 -5.884 5.021 -0.881 1.00 0.00 O ATOM 760 CB LEU A 46 -3.717 4.476 1.272 1.00 0.00 C ATOM 761 CG LEU A 46 -3.477 3.021 1.693 1.00 0.00 C ATOM 762 CD1 LEU A 46 -2.781 2.965 3.044 1.00 0.00 C ATOM 763 CD2 LEU A 46 -4.787 2.251 1.746 1.00 0.00 C ATOM 0 H LEU A 46 -3.545 6.780 0.265 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.767 4.125 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.008 5.114 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.715 4.773 1.595 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.833 2.555 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.619 1.925 3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.821 3.478 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.404 3.452 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.592 1.222 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.456 2.720 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.254 2.259 0.761 1.00 0.00 H new ATOM 775 N LYS A 47 -4.750 3.271 -1.756 1.00 0.00 N ATOM 776 CA LYS A 47 -5.833 2.835 -2.628 1.00 0.00 C ATOM 777 C LYS A 47 -7.083 2.484 -1.837 1.00 0.00 C ATOM 778 O LYS A 47 -7.006 2.065 -0.680 1.00 0.00 O ATOM 779 CB LYS A 47 -5.397 1.637 -3.470 1.00 0.00 C ATOM 780 CG LYS A 47 -4.306 1.966 -4.474 1.00 0.00 C ATOM 781 CD LYS A 47 -4.013 0.784 -5.379 1.00 0.00 C ATOM 782 CE LYS A 47 -3.003 1.142 -6.457 1.00 0.00 C ATOM 783 NZ LYS A 47 -2.758 0.009 -7.385 1.00 0.00 N ATOM 0 H LYS A 47 -3.919 2.680 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.073 3.668 -3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.044 0.847 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.263 1.243 -4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.610 2.822 -5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.398 2.255 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.632 -0.045 -4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.938 0.443 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.364 2.002 -7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.064 1.439 -5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.064 0.294 -8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.389 -0.804 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.649 -0.258 -7.850 1.00 0.00 H new ATOM 797 N LYS A 48 -8.228 2.662 -2.477 1.00 0.00 N ATOM 798 CA LYS A 48 -9.518 2.434 -1.842 1.00 0.00 C ATOM 799 C LYS A 48 -9.676 0.992 -1.381 1.00 0.00 C ATOM 800 O LYS A 48 -9.669 0.062 -2.190 1.00 0.00 O ATOM 801 CB LYS A 48 -10.655 2.782 -2.802 1.00 0.00 C ATOM 802 CG LYS A 48 -10.772 4.259 -3.114 1.00 0.00 C ATOM 803 CD LYS A 48 -11.351 5.011 -1.933 1.00 0.00 C ATOM 804 CE LYS A 48 -12.773 4.560 -1.613 1.00 0.00 C ATOM 805 NZ LYS A 48 -13.681 4.677 -2.785 1.00 0.00 N ATOM 0 H LYS A 48 -8.290 2.968 -3.448 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.562 3.081 -0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.509 2.235 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.596 2.437 -2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.790 4.662 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.406 4.402 -3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.717 4.859 -1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.349 6.080 -2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.755 3.525 -1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.165 5.159 -0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.668 4.591 -2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.543 5.602 -3.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.468 3.920 -3.466 1.00 0.00 H new ATOM 819 N LYS A 49 -9.812 0.814 -0.077 1.00 0.00 N ATOM 820 CA LYS A 49 -10.105 -0.489 0.489 1.00 0.00 C ATOM 821 C LYS A 49 -11.614 -0.664 0.610 1.00 0.00 C ATOM 822 O LYS A 49 -12.282 0.088 1.323 1.00 0.00 O ATOM 823 CB LYS A 49 -9.403 -0.648 1.850 1.00 0.00 C ATOM 824 CG LYS A 49 -9.869 -1.841 2.685 1.00 0.00 C ATOM 825 CD LYS A 49 -9.946 -3.131 1.876 1.00 0.00 C ATOM 826 CE LYS A 49 -8.609 -3.531 1.273 1.00 0.00 C ATOM 827 NZ LYS A 49 -8.765 -4.675 0.335 1.00 0.00 N ATOM 0 H LYS A 49 -9.723 1.561 0.611 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.724 -1.270 -0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.330 -0.741 1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.556 0.263 2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.186 -1.982 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.850 -1.623 3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.305 -3.936 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.678 -3.010 1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.176 -2.681 0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.914 -3.801 2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.837 -4.927 -0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.157 -5.492 0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.410 -4.407 -0.435 1.00 0.00 H new ATOM 841 N GLU A 50 -12.143 -1.638 -0.117 1.00 0.00 N ATOM 842 CA GLU A 50 -13.571 -1.912 -0.106 1.00 0.00 C ATOM 843 C GLU A 50 -13.986 -2.526 1.223 1.00 0.00 C ATOM 844 O GLU A 50 -13.292 -3.387 1.769 1.00 0.00 O ATOM 845 CB GLU A 50 -13.953 -2.851 -1.253 1.00 0.00 C ATOM 846 CG GLU A 50 -15.420 -3.250 -1.240 1.00 0.00 C ATOM 847 CD GLU A 50 -15.752 -4.328 -2.249 1.00 0.00 C ATOM 848 OE1 GLU A 50 -15.139 -5.414 -2.188 1.00 0.00 O ATOM 849 OE2 GLU A 50 -16.632 -4.098 -3.101 1.00 0.00 O ATOM 0 H GLU A 50 -11.601 -2.253 -0.724 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.096 -0.966 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.724 -2.366 -2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.339 -3.750 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.686 -3.600 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.031 -2.371 -1.443 1.00 0.00 H new ATOM 856 N LEU A 51 -15.119 -2.070 1.730 1.00 0.00 N ATOM 857 CA LEU A 51 -15.679 -2.580 2.969 1.00 0.00 C ATOM 858 C LEU A 51 -16.146 -4.025 2.801 1.00 0.00 C ATOM 859 O LEU A 51 -16.388 -4.480 1.681 1.00 0.00 O ATOM 860 CB LEU A 51 -16.835 -1.673 3.410 1.00 0.00 C ATOM 861 CG LEU A 51 -17.890 -1.376 2.336 1.00 0.00 C ATOM 862 CD1 LEU A 51 -18.932 -2.484 2.269 1.00 0.00 C ATOM 863 CD2 LEU A 51 -18.545 -0.030 2.599 1.00 0.00 C ATOM 0 H LEU A 51 -15.676 -1.336 1.294 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.909 -2.576 3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -17.331 -2.135 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -16.419 -0.727 3.757 1.00 0.00 H new ATOM 0 HG LEU A 51 -17.390 -1.334 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -19.667 -2.247 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -18.444 -3.428 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -19.432 -2.572 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.291 0.168 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -19.027 -0.045 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -17.787 0.753 2.580 1.00 0.00 H new ATOM 875 N PRO A 52 -16.264 -4.772 3.907 1.00 0.00 N ATOM 876 CA PRO A 52 -16.714 -6.161 3.875 1.00 0.00 C ATOM 877 C PRO A 52 -18.200 -6.270 3.554 1.00 0.00 C ATOM 878 O PRO A 52 -19.054 -5.962 4.388 1.00 0.00 O ATOM 879 CB PRO A 52 -16.434 -6.677 5.297 1.00 0.00 C ATOM 880 CG PRO A 52 -15.602 -5.623 5.952 1.00 0.00 C ATOM 881 CD PRO A 52 -15.966 -4.335 5.277 1.00 0.00 C ATOM 0 HA PRO A 52 -16.204 -6.734 3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -17.362 -6.840 5.845 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -15.908 -7.631 5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -15.804 -5.574 7.022 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.539 -5.837 5.838 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -16.826 -3.858 5.748 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -15.148 -3.616 5.305 1.00 0.00 H new ATOM 889 N THR A 53 -18.505 -6.675 2.331 1.00 0.00 N ATOM 890 CA THR A 53 -19.882 -6.899 1.933 1.00 0.00 C ATOM 891 C THR A 53 -20.365 -8.222 2.517 1.00 0.00 C ATOM 892 O THR A 53 -21.524 -8.363 2.913 1.00 0.00 O ATOM 893 CB THR A 53 -20.020 -6.919 0.397 1.00 0.00 C ATOM 894 OG1 THR A 53 -19.354 -5.776 -0.167 1.00 0.00 O ATOM 895 CG2 THR A 53 -21.483 -6.912 -0.024 1.00 0.00 C ATOM 0 H THR A 53 -17.817 -6.854 1.599 1.00 0.00 H new ATOM 0 HA THR A 53 -20.493 -6.081 2.314 1.00 0.00 H new ATOM 0 HB THR A 53 -19.559 -7.835 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 53 -19.443 -5.794 -1.143 1.00 0.00 H new ATOM 0 HG21 THR A 53 -21.549 -6.926 -1.112 1.00 0.00 H new ATOM 0 HG22 THR A 53 -21.982 -7.792 0.381 1.00 0.00 H new ATOM 0 HG23 THR A 53 -21.967 -6.013 0.357 1.00 0.00 H new ATOM 903 N LYS A 54 -19.452 -9.181 2.587 1.00 0.00 N ATOM 904 CA LYS A 54 -19.727 -10.465 3.207 1.00 0.00 C ATOM 905 C LYS A 54 -19.673 -10.319 4.724 1.00 0.00 C ATOM 906 O LYS A 54 -18.768 -9.666 5.246 1.00 0.00 O ATOM 907 CB LYS A 54 -18.707 -11.502 2.730 1.00 0.00 C ATOM 908 CG LYS A 54 -18.959 -12.909 3.247 1.00 0.00 C ATOM 909 CD LYS A 54 -17.896 -13.876 2.752 1.00 0.00 C ATOM 910 CE LYS A 54 -18.159 -15.292 3.233 1.00 0.00 C ATOM 911 NZ LYS A 54 -17.124 -16.243 2.753 1.00 0.00 N ATOM 0 H LYS A 54 -18.506 -9.090 2.217 1.00 0.00 H new ATOM 0 HA LYS A 54 -20.723 -10.803 2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.709 -11.522 1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -17.712 -11.186 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -18.969 -12.902 4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -19.942 -13.248 2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.869 -13.861 1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.916 -13.549 3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -18.187 -15.306 4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -19.140 -15.617 2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.341 -17.198 3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -17.114 -16.250 1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.191 -15.948 3.106 1.00 0.00 H new ATOM 925 N LYS A 55 -20.659 -10.905 5.409 1.00 0.00 N ATOM 926 CA LYS A 55 -20.793 -10.800 6.868 1.00 0.00 C ATOM 927 C LYS A 55 -21.292 -9.416 7.277 1.00 0.00 C ATOM 928 O LYS A 55 -21.374 -9.098 8.466 1.00 0.00 O ATOM 929 CB LYS A 55 -19.479 -11.126 7.589 1.00 0.00 C ATOM 930 CG LYS A 55 -19.365 -12.577 8.031 1.00 0.00 C ATOM 931 CD LYS A 55 -20.453 -12.923 9.032 1.00 0.00 C ATOM 932 CE LYS A 55 -20.267 -14.311 9.625 1.00 0.00 C ATOM 933 NZ LYS A 55 -21.363 -14.649 10.572 1.00 0.00 N ATOM 0 H LYS A 55 -21.388 -11.466 4.969 1.00 0.00 H new ATOM 0 HA LYS A 55 -21.532 -11.541 7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -18.645 -10.891 6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -19.385 -10.481 8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -19.441 -13.233 7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.386 -12.750 8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.455 -12.184 9.834 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -21.426 -12.866 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -20.236 -15.049 8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.309 -14.362 10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -21.206 -15.602 10.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.376 -13.958 11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.274 -14.624 10.071 1.00 0.00 H new ATOM 947 N GLY A 56 -21.644 -8.609 6.290 1.00 0.00 N ATOM 948 CA GLY A 56 -22.170 -7.290 6.561 1.00 0.00 C ATOM 949 C GLY A 56 -23.679 -7.273 6.480 1.00 0.00 C ATOM 950 O GLY A 56 -24.240 -8.060 5.689 1.00 0.00 O ATOM 951 OXT GLY A 56 -24.313 -6.493 7.216 1.00 0.00 O ATOM 0 H GLY A 56 -21.574 -8.846 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -21.853 -6.967 7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -21.757 -6.578 5.846 1.00 0.00 H new TER 955 GLY A 56 HETATM 956 ZN ZN A 57 7.027 9.237 -6.986 1.00 0.00 ZN