USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot -100:sc= 1.21 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= -0.52 USER MOD Set 2.2: A 54 THR OG1 : rot 104:sc= 0.548 USER MOD Single : A 2 THR OG1 : rot 35:sc= 0.208 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -153:sc= 1.11 (180deg=0.615) USER MOD Single : A 9 ASN : amide:sc= -3.71! C(o=-3.7!,f=-3.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 88:sc= 0.406 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.36) USER MOD Single : A 34 TYR OH : rot -22:sc= -3.12! USER MOD Single : A 36 ASN : amide:sc= 0.624 K(o=0.62,f=-0.45) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.283 USER MOD Single : A 51 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.122) USER MOD Single : A 56 THR OG1 : rot -160:sc= -0.995 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.506 -12.160 6.525 1.00 0.00 N ATOM 21 CA THR A 2 -2.486 -11.448 5.213 1.00 0.00 C ATOM 22 C THR A 2 -1.208 -10.608 5.090 1.00 0.00 C ATOM 23 O THR A 2 -0.331 -10.911 4.304 1.00 0.00 O ATOM 24 CB THR A 2 -3.732 -10.558 5.231 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.887 -11.371 5.386 1.00 0.00 O ATOM 26 CG2 THR A 2 -3.827 -9.782 3.918 1.00 0.00 C ATOM 0 HA THR A 2 -2.492 -12.131 4.364 1.00 0.00 H new ATOM 0 HB THR A 2 -3.665 -9.855 6.061 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.677 -12.130 5.969 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.714 -9.149 3.933 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.940 -9.160 3.798 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.895 -10.482 3.086 1.00 0.00 H new ATOM 34 N THR A 3 -1.096 -9.557 5.866 1.00 0.00 N ATOM 35 CA THR A 3 0.124 -8.685 5.814 1.00 0.00 C ATOM 36 C THR A 3 0.447 -8.259 4.378 1.00 0.00 C ATOM 37 O THR A 3 1.222 -8.900 3.692 1.00 0.00 O ATOM 38 CB THR A 3 1.259 -9.540 6.384 1.00 0.00 C ATOM 39 OG1 THR A 3 0.897 -9.999 7.680 1.00 0.00 O ATOM 40 CG2 THR A 3 2.542 -8.707 6.475 1.00 0.00 C ATOM 0 H THR A 3 -1.803 -9.262 6.540 1.00 0.00 H new ATOM 0 HA THR A 3 -0.024 -7.765 6.380 1.00 0.00 H new ATOM 0 HB THR A 3 1.433 -10.393 5.728 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.621 -10.548 8.047 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.346 -9.321 6.881 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.820 -8.357 5.481 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.374 -7.850 7.128 1.00 0.00 H new ATOM 48 N PHE A 4 -0.125 -7.171 3.931 1.00 0.00 N ATOM 49 CA PHE A 4 0.162 -6.683 2.551 1.00 0.00 C ATOM 50 C PHE A 4 1.357 -5.732 2.592 1.00 0.00 C ATOM 51 O PHE A 4 1.583 -5.057 3.578 1.00 0.00 O ATOM 52 CB PHE A 4 -1.105 -5.944 2.115 1.00 0.00 C ATOM 53 CG PHE A 4 -2.017 -6.901 1.386 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.710 -7.301 0.081 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.165 -7.391 2.015 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.550 -8.194 -0.594 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.006 -8.283 1.340 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.698 -8.685 0.036 1.00 0.00 C ATOM 0 H PHE A 4 -0.780 -6.599 4.464 1.00 0.00 H new ATOM 0 HA PHE A 4 0.409 -7.489 1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.615 -5.529 2.985 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.846 -5.106 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.824 -6.920 -0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.403 -7.081 3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.312 -8.504 -1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.893 -8.661 1.826 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.347 -9.374 -0.484 1.00 0.00 H new ATOM 68 N LYS A 5 2.129 -5.677 1.539 1.00 0.00 N ATOM 69 CA LYS A 5 3.314 -4.771 1.530 1.00 0.00 C ATOM 70 C LYS A 5 3.088 -3.607 0.562 1.00 0.00 C ATOM 71 O LYS A 5 2.015 -3.449 0.011 1.00 0.00 O ATOM 72 CB LYS A 5 4.481 -5.643 1.065 1.00 0.00 C ATOM 73 CG LYS A 5 4.695 -6.790 2.058 1.00 0.00 C ATOM 74 CD LYS A 5 4.008 -8.055 1.540 1.00 0.00 C ATOM 75 CE LYS A 5 5.018 -8.909 0.771 1.00 0.00 C ATOM 76 NZ LYS A 5 4.208 -9.990 0.142 1.00 0.00 N ATOM 0 H LYS A 5 1.990 -6.219 0.686 1.00 0.00 H new ATOM 0 HA LYS A 5 3.502 -4.332 2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.276 -6.042 0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.388 -5.043 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.761 -6.973 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.292 -6.519 3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.595 -8.624 2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.174 -7.788 0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.542 -8.319 0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.776 -9.321 1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.803 -10.831 0.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.409 -10.231 0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.846 -9.663 -0.777 1.00 0.00 H new ATOM 90 N LEU A 6 4.093 -2.793 0.355 1.00 0.00 N ATOM 91 CA LEU A 6 3.943 -1.634 -0.574 1.00 0.00 C ATOM 92 C LEU A 6 5.321 -1.133 -1.012 1.00 0.00 C ATOM 93 O LEU A 6 6.045 -0.533 -0.239 1.00 0.00 O ATOM 94 CB LEU A 6 3.209 -0.567 0.250 1.00 0.00 C ATOM 95 CG LEU A 6 3.011 0.705 -0.582 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.719 0.595 -1.392 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.921 1.913 0.355 1.00 0.00 C ATOM 0 H LEU A 6 5.011 -2.882 0.790 1.00 0.00 H new ATOM 0 HA LEU A 6 3.399 -1.890 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.242 -0.951 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.780 -0.336 1.149 1.00 0.00 H new ATOM 0 HG LEU A 6 3.854 0.828 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.581 1.501 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.779 -0.266 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.874 0.472 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.780 2.820 -0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.077 1.785 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.842 1.995 0.933 1.00 0.00 H new ATOM 109 N ILE A 7 5.676 -1.358 -2.250 1.00 0.00 N ATOM 110 CA ILE A 7 6.995 -0.882 -2.752 1.00 0.00 C ATOM 111 C ILE A 7 6.830 0.545 -3.255 1.00 0.00 C ATOM 112 O ILE A 7 5.925 0.836 -4.018 1.00 0.00 O ATOM 113 CB ILE A 7 7.365 -1.822 -3.905 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.438 -3.272 -3.398 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.720 -1.409 -4.495 1.00 0.00 C ATOM 116 CD1 ILE A 7 8.484 -3.398 -2.284 1.00 0.00 C ATOM 0 H ILE A 7 5.106 -1.853 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 7 7.769 -0.887 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 7 6.600 -1.755 -4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.462 -3.583 -3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.693 -3.939 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.980 -2.079 -5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.658 -0.387 -4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.486 -1.467 -3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.523 -4.430 -1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.462 -3.107 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.212 -2.746 -1.454 1.00 0.00 H new ATOM 128 N ILE A 8 7.679 1.439 -2.829 1.00 0.00 N ATOM 129 CA ILE A 8 7.541 2.852 -3.287 1.00 0.00 C ATOM 130 C ILE A 8 8.572 3.142 -4.383 1.00 0.00 C ATOM 131 O ILE A 8 9.765 3.093 -4.142 1.00 0.00 O ATOM 132 CB ILE A 8 7.799 3.779 -2.080 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.286 3.169 -0.744 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.104 5.121 -2.351 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.762 3.276 -0.611 1.00 0.00 C ATOM 0 H ILE A 8 8.454 1.257 -2.191 1.00 0.00 H new ATOM 0 HA ILE A 8 6.541 3.021 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 8 8.875 3.913 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.582 2.122 -0.686 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.760 3.681 0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.272 5.794 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.512 5.565 -3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.034 4.958 -2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.448 2.838 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.467 4.325 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.287 2.741 -1.433 1.00 0.00 H new ATOM 147 N ASN A 9 8.132 3.441 -5.581 1.00 0.00 N ATOM 148 CA ASN A 9 9.105 3.732 -6.688 1.00 0.00 C ATOM 149 C ASN A 9 9.696 5.133 -6.516 1.00 0.00 C ATOM 150 O ASN A 9 10.810 5.404 -6.922 1.00 0.00 O ATOM 151 CB ASN A 9 8.318 3.665 -8.010 1.00 0.00 C ATOM 152 CG ASN A 9 7.387 2.446 -8.045 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.749 1.375 -7.599 1.00 0.00 O ATOM 154 ND2 ASN A 9 6.195 2.569 -8.564 1.00 0.00 N ATOM 0 H ASN A 9 7.148 3.497 -5.842 1.00 0.00 H new ATOM 0 HA ASN A 9 9.924 3.013 -6.678 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.732 4.576 -8.133 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.014 3.618 -8.848 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.567 1.766 -8.595 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.892 3.468 -8.938 1.00 0.00 H new ATOM 161 N GLY A 10 8.946 6.019 -5.927 1.00 0.00 N ATOM 162 CA GLY A 10 9.431 7.416 -5.725 1.00 0.00 C ATOM 163 C GLY A 10 10.630 7.421 -4.776 1.00 0.00 C ATOM 164 O GLY A 10 11.107 6.383 -4.357 1.00 0.00 O ATOM 0 H GLY A 10 8.007 5.836 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.713 7.854 -6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.630 8.032 -5.316 1.00 0.00 H new ATOM 168 N LYS A 11 11.118 8.588 -4.435 1.00 0.00 N ATOM 169 CA LYS A 11 12.289 8.680 -3.511 1.00 0.00 C ATOM 170 C LYS A 11 11.883 9.355 -2.196 1.00 0.00 C ATOM 171 O LYS A 11 12.705 9.937 -1.511 1.00 0.00 O ATOM 172 CB LYS A 11 13.328 9.527 -4.257 1.00 0.00 C ATOM 173 CG LYS A 11 12.736 10.894 -4.618 1.00 0.00 C ATOM 174 CD LYS A 11 13.844 11.951 -4.605 1.00 0.00 C ATOM 175 CE LYS A 11 14.816 11.686 -5.758 1.00 0.00 C ATOM 176 NZ LYS A 11 15.706 12.879 -5.791 1.00 0.00 N ATOM 0 H LYS A 11 10.754 9.484 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 11 12.681 7.697 -3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.214 9.659 -3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.647 9.010 -5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.271 10.852 -5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.954 11.163 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.412 12.947 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.376 11.924 -3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.386 10.772 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.285 11.563 -6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.401 12.772 -6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.136 13.733 -5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.203 12.966 -4.882 1.00 0.00 H new ATOM 190 N THR A 12 10.626 9.279 -1.838 1.00 0.00 N ATOM 191 CA THR A 12 10.163 9.911 -0.566 1.00 0.00 C ATOM 192 C THR A 12 10.134 8.869 0.555 1.00 0.00 C ATOM 193 O THR A 12 10.394 9.173 1.704 1.00 0.00 O ATOM 194 CB THR A 12 8.751 10.420 -0.866 1.00 0.00 C ATOM 195 OG1 THR A 12 8.773 11.197 -2.055 1.00 0.00 O ATOM 196 CG2 THR A 12 8.258 11.280 0.299 1.00 0.00 C ATOM 0 H THR A 12 9.899 8.805 -2.374 1.00 0.00 H new ATOM 0 HA THR A 12 10.821 10.715 -0.237 1.00 0.00 H new ATOM 0 HB THR A 12 8.079 9.572 -0.998 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.648 10.611 -2.831 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.253 11.642 0.084 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.242 10.683 1.211 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.928 12.129 0.433 1.00 0.00 H new ATOM 204 N LEU A 13 9.824 7.643 0.222 1.00 0.00 N ATOM 205 CA LEU A 13 9.779 6.565 1.254 1.00 0.00 C ATOM 206 C LEU A 13 10.747 5.443 0.873 1.00 0.00 C ATOM 207 O LEU A 13 11.602 5.056 1.646 1.00 0.00 O ATOM 208 CB LEU A 13 8.341 6.050 1.228 1.00 0.00 C ATOM 209 CG LEU A 13 7.505 6.774 2.283 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.029 6.388 2.120 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.992 6.374 3.678 1.00 0.00 C ATOM 0 H LEU A 13 9.599 7.341 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 13 10.066 6.925 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.908 6.206 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.327 4.976 1.416 1.00 0.00 H new ATOM 0 HG LEU A 13 7.611 7.852 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.433 6.904 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.686 6.674 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.919 5.311 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.397 6.889 4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.886 5.297 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.040 6.651 3.791 1.00 0.00 H new ATOM 223 N LYS A 14 10.613 4.917 -0.322 1.00 0.00 N ATOM 224 CA LYS A 14 11.515 3.810 -0.785 1.00 0.00 C ATOM 225 C LYS A 14 11.532 2.661 0.228 1.00 0.00 C ATOM 226 O LYS A 14 12.421 2.569 1.054 1.00 0.00 O ATOM 227 CB LYS A 14 12.907 4.441 -0.902 1.00 0.00 C ATOM 228 CG LYS A 14 13.010 5.210 -2.222 1.00 0.00 C ATOM 229 CD LYS A 14 13.416 4.250 -3.341 1.00 0.00 C ATOM 230 CE LYS A 14 14.924 4.000 -3.277 1.00 0.00 C ATOM 231 NZ LYS A 14 15.104 2.607 -3.773 1.00 0.00 N ATOM 0 H LYS A 14 9.912 5.209 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 14 11.178 3.387 -1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.085 5.113 -0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.673 3.667 -0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.054 5.677 -2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.743 6.011 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.876 3.308 -3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.147 4.670 -4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.469 4.713 -3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.299 4.108 -2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.114 2.361 -3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.579 1.950 -3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.744 2.536 -4.746 1.00 0.00 H new ATOM 245 N GLY A 15 10.557 1.786 0.171 1.00 0.00 N ATOM 246 CA GLY A 15 10.521 0.645 1.134 1.00 0.00 C ATOM 247 C GLY A 15 9.309 -0.246 0.852 1.00 0.00 C ATOM 248 O GLY A 15 8.577 -0.036 -0.098 1.00 0.00 O ATOM 0 H GLY A 15 9.788 1.814 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.438 0.061 1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.474 1.023 2.155 1.00 0.00 H new ATOM 252 N GLU A 16 9.099 -1.239 1.678 1.00 0.00 N ATOM 253 CA GLU A 16 7.941 -2.164 1.484 1.00 0.00 C ATOM 254 C GLU A 16 6.884 -1.912 2.563 1.00 0.00 C ATOM 255 O GLU A 16 5.714 -1.744 2.274 1.00 0.00 O ATOM 256 CB GLU A 16 8.526 -3.573 1.635 1.00 0.00 C ATOM 257 CG GLU A 16 9.638 -3.798 0.598 1.00 0.00 C ATOM 258 CD GLU A 16 10.998 -3.861 1.302 1.00 0.00 C ATOM 259 OE1 GLU A 16 11.305 -2.939 2.038 1.00 0.00 O ATOM 260 OE2 GLU A 16 11.708 -4.830 1.089 1.00 0.00 O ATOM 0 H GLU A 16 9.685 -1.450 2.486 1.00 0.00 H new ATOM 0 HA GLU A 16 7.458 -2.023 0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.925 -3.704 2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.740 -4.317 1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.457 -4.724 0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.634 -2.991 -0.134 1.00 0.00 H new ATOM 267 N ILE A 17 7.292 -1.880 3.809 1.00 0.00 N ATOM 268 CA ILE A 17 6.328 -1.637 4.933 1.00 0.00 C ATOM 269 C ILE A 17 5.163 -2.635 4.878 1.00 0.00 C ATOM 270 O ILE A 17 4.104 -2.337 4.358 1.00 0.00 O ATOM 271 CB ILE A 17 5.824 -0.199 4.737 1.00 0.00 C ATOM 272 CG1 ILE A 17 7.011 0.780 4.765 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.835 0.164 5.851 1.00 0.00 C ATOM 274 CD1 ILE A 17 7.760 0.678 6.101 1.00 0.00 C ATOM 0 H ILE A 17 8.261 -2.013 4.100 1.00 0.00 H new ATOM 0 HA ILE A 17 6.802 -1.769 5.906 1.00 0.00 H new ATOM 0 HB ILE A 17 5.322 -0.129 3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.691 0.560 3.942 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.653 1.799 4.619 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.482 1.185 5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.987 -0.521 5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.332 0.086 6.818 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.596 1.377 6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.081 0.921 6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.135 -0.337 6.231 1.00 0.00 H new ATOM 286 N THR A 18 5.356 -3.812 5.416 1.00 0.00 N ATOM 287 CA THR A 18 4.265 -4.836 5.407 1.00 0.00 C ATOM 288 C THR A 18 3.227 -4.493 6.480 1.00 0.00 C ATOM 289 O THR A 18 3.570 -4.037 7.556 1.00 0.00 O ATOM 290 CB THR A 18 4.946 -6.173 5.731 1.00 0.00 C ATOM 291 OG1 THR A 18 5.470 -6.131 7.054 1.00 0.00 O ATOM 292 CG2 THR A 18 6.079 -6.449 4.734 1.00 0.00 C ATOM 0 H THR A 18 6.223 -4.110 5.862 1.00 0.00 H new ATOM 0 HA THR A 18 3.748 -4.875 4.448 1.00 0.00 H new ATOM 0 HB THR A 18 4.210 -6.973 5.655 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.903 -6.985 7.262 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.553 -7.400 4.976 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.672 -6.493 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.818 -5.650 4.793 1.00 0.00 H new ATOM 300 N ILE A 19 1.966 -4.706 6.198 1.00 0.00 N ATOM 301 CA ILE A 19 0.910 -4.387 7.212 1.00 0.00 C ATOM 302 C ILE A 19 -0.230 -5.410 7.165 1.00 0.00 C ATOM 303 O ILE A 19 -0.755 -5.724 6.114 1.00 0.00 O ATOM 304 CB ILE A 19 0.395 -2.989 6.842 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.173 -2.995 5.417 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.547 -1.986 6.926 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.691 -3.182 5.468 1.00 0.00 C ATOM 0 H ILE A 19 1.622 -5.085 5.316 1.00 0.00 H new ATOM 0 HA ILE A 19 1.310 -4.419 8.225 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.394 -2.704 7.538 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.071 -2.059 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.283 -3.797 4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.184 -0.992 6.664 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.943 -1.971 7.941 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.336 -2.279 6.233 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.091 -3.186 4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.925 -4.129 5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.140 -2.364 6.032 1.00 0.00 H new ATOM 319 N GLU A 20 -0.617 -5.923 8.307 1.00 0.00 N ATOM 320 CA GLU A 20 -1.729 -6.922 8.353 1.00 0.00 C ATOM 321 C GLU A 20 -3.050 -6.257 7.953 1.00 0.00 C ATOM 322 O GLU A 20 -3.396 -5.202 8.450 1.00 0.00 O ATOM 323 CB GLU A 20 -1.784 -7.407 9.809 1.00 0.00 C ATOM 324 CG GLU A 20 -2.039 -6.223 10.751 1.00 0.00 C ATOM 325 CD GLU A 20 -1.185 -6.371 12.012 1.00 0.00 C ATOM 326 OE1 GLU A 20 -1.043 -7.489 12.480 1.00 0.00 O ATOM 327 OE2 GLU A 20 -0.687 -5.364 12.489 1.00 0.00 O ATOM 0 H GLU A 20 -0.209 -5.692 9.213 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.566 -7.749 7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.574 -8.149 9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.846 -7.896 10.073 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.800 -5.287 10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.095 -6.180 11.019 1.00 0.00 H new ATOM 334 N ALA A 21 -3.783 -6.866 7.057 1.00 0.00 N ATOM 335 CA ALA A 21 -5.081 -6.272 6.618 1.00 0.00 C ATOM 336 C ALA A 21 -6.067 -7.376 6.226 1.00 0.00 C ATOM 337 O ALA A 21 -5.679 -8.435 5.773 1.00 0.00 O ATOM 338 CB ALA A 21 -4.731 -5.410 5.405 1.00 0.00 C ATOM 0 H ALA A 21 -3.538 -7.750 6.610 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.556 -5.691 7.409 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.635 -4.937 5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.016 -4.642 5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.292 -6.036 4.628 1.00 0.00 H new ATOM 344 N VAL A 22 -7.343 -7.129 6.399 1.00 0.00 N ATOM 345 CA VAL A 22 -8.376 -8.152 6.041 1.00 0.00 C ATOM 346 C VAL A 22 -8.187 -8.625 4.590 1.00 0.00 C ATOM 347 O VAL A 22 -8.323 -9.795 4.284 1.00 0.00 O ATOM 348 CB VAL A 22 -9.724 -7.437 6.217 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.793 -6.214 5.297 1.00 0.00 C ATOM 350 CG2 VAL A 22 -10.866 -8.398 5.872 1.00 0.00 C ATOM 0 H VAL A 22 -7.716 -6.257 6.775 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.307 -9.043 6.666 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.820 -7.112 7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.752 -5.713 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.987 -5.525 5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.689 -6.533 4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.821 -7.888 5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.764 -8.728 4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.826 -9.263 6.534 1.00 0.00 H new ATOM 360 N ASP A 23 -7.862 -7.718 3.706 1.00 0.00 N ATOM 361 CA ASP A 23 -7.646 -8.092 2.277 1.00 0.00 C ATOM 362 C ASP A 23 -6.781 -7.030 1.600 1.00 0.00 C ATOM 363 O ASP A 23 -6.421 -6.041 2.211 1.00 0.00 O ATOM 364 CB ASP A 23 -9.042 -8.154 1.640 1.00 0.00 C ATOM 365 CG ASP A 23 -9.782 -6.826 1.837 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.203 -5.793 1.544 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.922 -6.867 2.271 1.00 0.00 O ATOM 0 H ASP A 23 -7.736 -6.727 3.914 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.132 -9.047 2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.953 -8.373 0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.616 -8.966 2.086 1.00 0.00 H new ATOM 372 N ALA A 24 -6.440 -7.222 0.351 1.00 0.00 N ATOM 373 CA ALA A 24 -5.591 -6.211 -0.349 1.00 0.00 C ATOM 374 C ALA A 24 -6.346 -4.883 -0.445 1.00 0.00 C ATOM 375 O ALA A 24 -5.757 -3.821 -0.390 1.00 0.00 O ATOM 376 CB ALA A 24 -5.312 -6.785 -1.739 1.00 0.00 C ATOM 0 H ALA A 24 -6.710 -8.029 -0.211 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.660 -6.016 0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.692 -6.088 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.791 -7.737 -1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.254 -6.940 -2.265 1.00 0.00 H new ATOM 382 N ALA A 25 -7.651 -4.939 -0.578 1.00 0.00 N ATOM 383 CA ALA A 25 -8.456 -3.683 -0.667 1.00 0.00 C ATOM 384 C ALA A 25 -8.195 -2.813 0.567 1.00 0.00 C ATOM 385 O ALA A 25 -7.996 -1.618 0.466 1.00 0.00 O ATOM 386 CB ALA A 25 -9.918 -4.138 -0.703 1.00 0.00 C ATOM 0 H ALA A 25 -8.192 -5.802 -0.629 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.200 -3.089 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.569 -3.266 -0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.079 -4.777 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.148 -4.695 0.205 1.00 0.00 H new ATOM 392 N GLU A 26 -8.176 -3.419 1.727 1.00 0.00 N ATOM 393 CA GLU A 26 -7.908 -2.646 2.976 1.00 0.00 C ATOM 394 C GLU A 26 -6.442 -2.215 2.998 1.00 0.00 C ATOM 395 O GLU A 26 -6.127 -1.081 3.307 1.00 0.00 O ATOM 396 CB GLU A 26 -8.205 -3.611 4.124 1.00 0.00 C ATOM 397 CG GLU A 26 -8.735 -2.827 5.327 1.00 0.00 C ATOM 398 CD GLU A 26 -8.317 -3.530 6.619 1.00 0.00 C ATOM 399 OE1 GLU A 26 -7.124 -3.632 6.856 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.196 -3.954 7.351 1.00 0.00 O ATOM 0 H GLU A 26 -8.335 -4.417 1.862 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.517 -1.745 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.938 -4.353 3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.301 -4.154 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.345 -1.809 5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.821 -2.753 5.276 1.00 0.00 H new ATOM 407 N ALA A 27 -5.543 -3.109 2.654 1.00 0.00 N ATOM 408 CA ALA A 27 -4.089 -2.745 2.635 1.00 0.00 C ATOM 409 C ALA A 27 -3.874 -1.541 1.718 1.00 0.00 C ATOM 410 O ALA A 27 -3.189 -0.599 2.066 1.00 0.00 O ATOM 411 CB ALA A 27 -3.358 -3.968 2.077 1.00 0.00 C ATOM 0 H ALA A 27 -5.752 -4.071 2.387 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.723 -2.480 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.288 -3.765 2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.541 -4.827 2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.724 -4.184 1.073 1.00 0.00 H new ATOM 417 N GLU A 28 -4.481 -1.559 0.552 1.00 0.00 N ATOM 418 CA GLU A 28 -4.333 -0.406 -0.387 1.00 0.00 C ATOM 419 C GLU A 28 -4.810 0.874 0.301 1.00 0.00 C ATOM 420 O GLU A 28 -4.226 1.921 0.137 1.00 0.00 O ATOM 421 CB GLU A 28 -5.215 -0.734 -1.595 1.00 0.00 C ATOM 422 CG GLU A 28 -4.758 0.096 -2.802 1.00 0.00 C ATOM 423 CD GLU A 28 -5.927 0.267 -3.774 1.00 0.00 C ATOM 424 OE1 GLU A 28 -7.039 0.448 -3.305 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.691 0.215 -4.969 1.00 0.00 O ATOM 0 H GLU A 28 -5.069 -2.321 0.214 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.298 -0.250 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.152 -1.797 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.259 -0.519 -1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.400 1.071 -2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.924 -0.397 -3.302 1.00 0.00 H new ATOM 432 N LYS A 29 -5.854 0.786 1.092 1.00 0.00 N ATOM 433 CA LYS A 29 -6.348 1.998 1.814 1.00 0.00 C ATOM 434 C LYS A 29 -5.333 2.386 2.893 1.00 0.00 C ATOM 435 O LYS A 29 -4.883 3.517 2.963 1.00 0.00 O ATOM 436 CB LYS A 29 -7.679 1.584 2.447 1.00 0.00 C ATOM 437 CG LYS A 29 -8.728 1.356 1.350 1.00 0.00 C ATOM 438 CD LYS A 29 -10.054 2.008 1.754 1.00 0.00 C ATOM 439 CE LYS A 29 -10.153 3.403 1.130 1.00 0.00 C ATOM 440 NZ LYS A 29 -11.042 3.231 -0.052 1.00 0.00 N ATOM 0 H LYS A 29 -6.382 -0.069 1.267 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.477 2.857 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.547 0.673 3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.021 2.357 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.378 1.776 0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.872 0.288 1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.890 1.391 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.120 2.079 2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.568 4.123 1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.172 3.775 0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.159 4.145 -0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.618 2.545 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.971 2.883 0.260 1.00 0.00 H new ATOM 454 N ILE A 30 -4.951 1.442 3.722 1.00 0.00 N ATOM 455 CA ILE A 30 -3.942 1.732 4.790 1.00 0.00 C ATOM 456 C ILE A 30 -2.653 2.234 4.134 1.00 0.00 C ATOM 457 O ILE A 30 -1.978 3.105 4.650 1.00 0.00 O ATOM 458 CB ILE A 30 -3.711 0.393 5.504 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.026 -0.087 6.126 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.667 0.565 6.614 1.00 0.00 C ATOM 461 CD1 ILE A 30 -5.033 -1.615 6.191 1.00 0.00 C ATOM 0 H ILE A 30 -5.296 0.482 3.704 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.273 2.498 5.492 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.353 -0.339 4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.141 0.330 7.126 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.871 0.266 5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.509 -0.390 7.116 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.727 0.907 6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.022 1.300 7.336 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.969 -1.956 6.634 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.938 -2.022 5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.197 -1.957 6.801 1.00 0.00 H new ATOM 473 N PHE A 31 -2.332 1.701 2.984 1.00 0.00 N ATOM 474 CA PHE A 31 -1.110 2.153 2.261 1.00 0.00 C ATOM 475 C PHE A 31 -1.403 3.494 1.589 1.00 0.00 C ATOM 476 O PHE A 31 -0.553 4.360 1.505 1.00 0.00 O ATOM 477 CB PHE A 31 -0.835 1.071 1.213 1.00 0.00 C ATOM 478 CG PHE A 31 0.000 -0.028 1.822 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.208 0.281 2.457 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.433 -1.356 1.747 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.984 -0.740 3.019 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.343 -2.377 2.310 1.00 0.00 C ATOM 483 CZ PHE A 31 1.552 -2.069 2.945 1.00 0.00 C ATOM 0 H PHE A 31 -2.866 0.970 2.514 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.252 2.290 2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.775 0.663 0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.316 1.503 0.358 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.542 1.307 2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.365 -1.594 1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.916 -0.502 3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.009 -3.402 2.254 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.151 -2.857 3.378 1.00 0.00 H new ATOM 493 N LYS A 32 -2.614 3.667 1.115 1.00 0.00 N ATOM 494 CA LYS A 32 -2.996 4.945 0.450 1.00 0.00 C ATOM 495 C LYS A 32 -3.173 6.074 1.476 1.00 0.00 C ATOM 496 O LYS A 32 -3.380 7.215 1.110 1.00 0.00 O ATOM 497 CB LYS A 32 -4.311 4.664 -0.270 1.00 0.00 C ATOM 498 CG LYS A 32 -4.013 3.996 -1.613 1.00 0.00 C ATOM 499 CD LYS A 32 -5.307 3.434 -2.206 1.00 0.00 C ATOM 500 CE LYS A 32 -6.243 4.586 -2.599 1.00 0.00 C ATOM 501 NZ LYS A 32 -7.518 4.319 -1.876 1.00 0.00 N ATOM 0 H LYS A 32 -3.357 2.970 1.163 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.220 5.275 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.943 4.018 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.861 5.592 -0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.570 4.718 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.285 3.196 -1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.082 2.822 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.798 2.785 -1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.823 5.550 -2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.401 4.615 -3.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.206 5.067 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.900 3.399 -2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.340 4.305 -0.851 1.00 0.00 H new ATOM 515 N GLN A 33 -3.035 5.783 2.749 1.00 0.00 N ATOM 516 CA GLN A 33 -3.131 6.861 3.782 1.00 0.00 C ATOM 517 C GLN A 33 -1.697 7.133 4.187 1.00 0.00 C ATOM 518 O GLN A 33 -1.219 8.250 4.217 1.00 0.00 O ATOM 519 CB GLN A 33 -3.934 6.264 4.938 1.00 0.00 C ATOM 520 CG GLN A 33 -5.411 6.193 4.550 1.00 0.00 C ATOM 521 CD GLN A 33 -5.999 7.604 4.519 1.00 0.00 C ATOM 522 OE1 GLN A 33 -6.125 8.200 3.468 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.366 8.170 5.637 1.00 0.00 N ATOM 0 H GLN A 33 -2.860 4.847 3.115 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.611 7.782 3.453 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.562 5.268 5.177 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.811 6.874 5.833 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.519 5.721 3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.956 5.576 5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.261 7.671 6.520 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.758 9.112 5.627 1.00 0.00 H new ATOM 532 N TYR A 34 -0.998 6.059 4.412 1.00 0.00 N ATOM 533 CA TYR A 34 0.453 6.098 4.728 1.00 0.00 C ATOM 534 C TYR A 34 1.175 6.929 3.641 1.00 0.00 C ATOM 535 O TYR A 34 2.143 7.617 3.901 1.00 0.00 O ATOM 536 CB TYR A 34 0.803 4.598 4.654 1.00 0.00 C ATOM 537 CG TYR A 34 2.275 4.368 4.370 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.732 4.317 3.049 1.00 0.00 C ATOM 539 CD2 TYR A 34 3.175 4.206 5.429 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.091 4.105 2.786 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.533 3.993 5.167 1.00 0.00 C ATOM 542 CZ TYR A 34 4.990 3.942 3.846 1.00 0.00 C ATOM 543 OH TYR A 34 6.330 3.735 3.586 1.00 0.00 O ATOM 0 H TYR A 34 -1.391 5.118 4.388 1.00 0.00 H new ATOM 0 HA TYR A 34 0.732 6.553 5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.537 4.117 5.595 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.206 4.125 3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.037 4.441 2.232 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.822 4.245 6.449 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.445 4.067 1.766 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.228 3.868 5.984 1.00 0.00 H new ATOM 0 HH TYR A 34 6.437 3.384 2.677 1.00 0.00 H new ATOM 553 N ALA A 35 0.670 6.873 2.432 1.00 0.00 N ATOM 554 CA ALA A 35 1.266 7.658 1.309 1.00 0.00 C ATOM 555 C ALA A 35 1.106 9.151 1.608 1.00 0.00 C ATOM 556 O ALA A 35 2.066 9.888 1.724 1.00 0.00 O ATOM 557 CB ALA A 35 0.433 7.287 0.075 1.00 0.00 C ATOM 0 H ALA A 35 -0.140 6.309 2.174 1.00 0.00 H new ATOM 0 HA ALA A 35 2.326 7.447 1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.811 7.825 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.505 6.214 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.609 7.558 0.245 1.00 0.00 H new ATOM 563 N ASN A 36 -0.123 9.591 1.734 1.00 0.00 N ATOM 564 CA ASN A 36 -0.399 11.032 2.026 1.00 0.00 C ATOM 565 C ASN A 36 0.301 11.462 3.313 1.00 0.00 C ATOM 566 O ASN A 36 0.841 12.549 3.403 1.00 0.00 O ATOM 567 CB ASN A 36 -1.914 11.117 2.206 1.00 0.00 C ATOM 568 CG ASN A 36 -2.603 10.905 0.857 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.790 11.840 0.104 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.993 9.706 0.517 1.00 0.00 N ATOM 0 H ASN A 36 -0.954 9.007 1.646 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.037 11.683 1.230 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.249 10.364 2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.188 12.089 2.617 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.454 9.555 -0.380 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.836 8.921 1.149 1.00 0.00 H new ATOM 577 N ASP A 37 0.290 10.614 4.315 1.00 0.00 N ATOM 578 CA ASP A 37 0.954 10.958 5.619 1.00 0.00 C ATOM 579 C ASP A 37 2.374 11.481 5.387 1.00 0.00 C ATOM 580 O ASP A 37 2.893 12.268 6.156 1.00 0.00 O ATOM 581 CB ASP A 37 0.986 9.648 6.411 1.00 0.00 C ATOM 582 CG ASP A 37 1.567 9.906 7.803 1.00 0.00 C ATOM 583 OD1 ASP A 37 2.780 9.949 7.918 1.00 0.00 O ATOM 584 OD2 ASP A 37 0.787 10.057 8.731 1.00 0.00 O ATOM 0 H ASP A 37 -0.151 9.695 4.288 1.00 0.00 H new ATOM 0 HA ASP A 37 0.418 11.744 6.150 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.020 9.238 6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.589 8.908 5.885 1.00 0.00 H new ATOM 589 N ASN A 38 2.986 11.054 4.321 1.00 0.00 N ATOM 590 CA ASN A 38 4.359 11.516 4.000 1.00 0.00 C ATOM 591 C ASN A 38 4.315 12.508 2.832 1.00 0.00 C ATOM 592 O ASN A 38 4.896 13.575 2.883 1.00 0.00 O ATOM 593 CB ASN A 38 5.130 10.250 3.607 1.00 0.00 C ATOM 594 CG ASN A 38 6.130 9.889 4.709 1.00 0.00 C ATOM 595 OD1 ASN A 38 5.764 9.313 5.714 1.00 0.00 O ATOM 596 ND2 ASN A 38 7.387 10.205 4.560 1.00 0.00 N ATOM 0 H ASN A 38 2.587 10.396 3.651 1.00 0.00 H new ATOM 0 HA ASN A 38 4.831 12.028 4.838 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.436 9.425 3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.655 10.410 2.665 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.062 9.968 5.287 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.695 10.689 3.716 1.00 0.00 H new ATOM 603 N GLY A 39 3.634 12.147 1.778 1.00 0.00 N ATOM 604 CA GLY A 39 3.537 13.032 0.582 1.00 0.00 C ATOM 605 C GLY A 39 3.725 12.155 -0.649 1.00 0.00 C ATOM 606 O GLY A 39 4.711 12.255 -1.354 1.00 0.00 O ATOM 0 H GLY A 39 3.133 11.262 1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.569 13.533 0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.298 13.811 0.618 1.00 0.00 H new ATOM 610 N ILE A 40 2.806 11.254 -0.870 1.00 0.00 N ATOM 611 CA ILE A 40 2.931 10.305 -2.005 1.00 0.00 C ATOM 612 C ILE A 40 1.760 10.480 -2.979 1.00 0.00 C ATOM 613 O ILE A 40 0.609 10.480 -2.586 1.00 0.00 O ATOM 614 CB ILE A 40 2.871 8.967 -1.278 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.096 8.862 -0.313 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.792 7.799 -2.276 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.113 7.818 -0.767 1.00 0.00 C ATOM 0 H ILE A 40 1.966 11.137 -0.304 1.00 0.00 H new ATOM 0 HA ILE A 40 3.825 10.431 -2.616 1.00 0.00 H new ATOM 0 HB ILE A 40 1.962 8.906 -0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.584 9.834 -0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.745 8.611 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.750 6.856 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.896 7.904 -2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.673 7.808 -2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.943 7.787 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.635 6.839 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.488 8.081 -1.756 1.00 0.00 H new ATOM 629 N ASP A 41 2.050 10.627 -4.247 1.00 0.00 N ATOM 630 CA ASP A 41 0.964 10.802 -5.262 1.00 0.00 C ATOM 631 C ASP A 41 1.551 10.757 -6.676 1.00 0.00 C ATOM 632 O ASP A 41 2.007 11.759 -7.197 1.00 0.00 O ATOM 633 CB ASP A 41 0.362 12.181 -4.980 1.00 0.00 C ATOM 634 CG ASP A 41 -1.152 12.131 -5.188 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.815 11.459 -4.414 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.625 12.764 -6.117 1.00 0.00 O ATOM 0 H ASP A 41 2.997 10.633 -4.626 1.00 0.00 H new ATOM 0 HA ASP A 41 0.215 10.012 -5.198 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.589 12.486 -3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.806 12.925 -5.641 1.00 0.00 H new ATOM 641 N GLY A 42 1.545 9.605 -7.297 1.00 0.00 N ATOM 642 CA GLY A 42 2.105 9.489 -8.676 1.00 0.00 C ATOM 643 C GLY A 42 1.600 8.205 -9.339 1.00 0.00 C ATOM 644 O GLY A 42 1.203 8.210 -10.489 1.00 0.00 O ATOM 0 H GLY A 42 1.175 8.738 -6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.812 10.355 -9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.194 9.483 -8.636 1.00 0.00 H new ATOM 648 N GLU A 43 1.620 7.105 -8.627 1.00 0.00 N ATOM 649 CA GLU A 43 1.148 5.815 -9.224 1.00 0.00 C ATOM 650 C GLU A 43 0.607 4.879 -8.141 1.00 0.00 C ATOM 651 O GLU A 43 0.809 5.100 -6.969 1.00 0.00 O ATOM 652 CB GLU A 43 2.394 5.205 -9.871 1.00 0.00 C ATOM 653 CG GLU A 43 1.986 4.015 -10.743 1.00 0.00 C ATOM 654 CD GLU A 43 3.018 3.821 -11.855 1.00 0.00 C ATOM 655 OE1 GLU A 43 3.401 4.807 -12.460 1.00 0.00 O ATOM 656 OE2 GLU A 43 3.407 2.687 -12.082 1.00 0.00 O ATOM 0 H GLU A 43 1.942 7.044 -7.661 1.00 0.00 H new ATOM 0 HA GLU A 43 0.339 5.970 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.906 5.954 -10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.095 4.882 -9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.916 3.113 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.000 4.187 -11.174 1.00 0.00 H new ATOM 663 N TRP A 44 -0.067 3.828 -8.545 1.00 0.00 N ATOM 664 CA TRP A 44 -0.628 2.834 -7.572 1.00 0.00 C ATOM 665 C TRP A 44 -0.981 1.549 -8.318 1.00 0.00 C ATOM 666 O TRP A 44 -1.841 1.545 -9.179 1.00 0.00 O ATOM 667 CB TRP A 44 -1.913 3.450 -7.010 1.00 0.00 C ATOM 668 CG TRP A 44 -1.607 4.266 -5.806 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.538 5.617 -5.756 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.352 3.790 -4.468 1.00 0.00 C ATOM 671 NE1 TRP A 44 -1.225 5.995 -4.463 1.00 0.00 N ATOM 672 CE2 TRP A 44 -1.102 4.900 -3.630 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.305 2.503 -3.912 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.812 4.738 -2.279 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -1.014 2.335 -2.550 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.766 3.453 -1.736 1.00 0.00 C ATOM 0 H TRP A 44 -0.255 3.613 -9.524 1.00 0.00 H new ATOM 0 HA TRP A 44 0.086 2.605 -6.781 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.389 4.072 -7.768 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.621 2.662 -6.754 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.700 6.288 -6.587 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.101 6.962 -4.162 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.493 1.640 -4.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.624 5.600 -1.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.980 1.342 -2.126 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.539 3.318 -0.689 1.00 0.00 H new ATOM 687 N THR A 45 -0.333 0.461 -7.996 1.00 0.00 N ATOM 688 CA THR A 45 -0.646 -0.824 -8.695 1.00 0.00 C ATOM 689 C THR A 45 -0.584 -1.971 -7.703 1.00 0.00 C ATOM 690 O THR A 45 0.373 -2.108 -6.971 1.00 0.00 O ATOM 691 CB THR A 45 0.425 -1.013 -9.778 1.00 0.00 C ATOM 692 OG1 THR A 45 1.646 -1.409 -9.174 1.00 0.00 O ATOM 693 CG2 THR A 45 0.635 0.288 -10.551 1.00 0.00 C ATOM 0 H THR A 45 0.395 0.404 -7.284 1.00 0.00 H new ATOM 0 HA THR A 45 -1.644 -0.803 -9.132 1.00 0.00 H new ATOM 0 HB THR A 45 0.092 -1.785 -10.472 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.329 -1.531 -9.866 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.397 0.138 -11.315 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.301 0.585 -11.025 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.958 1.071 -9.865 1.00 0.00 H new ATOM 701 N TYR A 46 -1.590 -2.795 -7.687 1.00 0.00 N ATOM 702 CA TYR A 46 -1.595 -3.949 -6.745 1.00 0.00 C ATOM 703 C TYR A 46 -1.018 -5.188 -7.441 1.00 0.00 C ATOM 704 O TYR A 46 -1.198 -5.388 -8.627 1.00 0.00 O ATOM 705 CB TYR A 46 -3.068 -4.156 -6.357 1.00 0.00 C ATOM 706 CG TYR A 46 -3.210 -5.440 -5.565 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.442 -5.633 -4.412 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.087 -6.441 -5.998 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.553 -6.823 -3.688 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.196 -7.635 -5.275 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.431 -7.825 -4.119 1.00 0.00 C ATOM 712 OH TYR A 46 -3.539 -9.002 -3.406 1.00 0.00 O ATOM 0 H TYR A 46 -2.412 -2.721 -8.286 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.982 -3.771 -5.862 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.421 -3.311 -5.765 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.688 -4.199 -7.253 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.763 -4.862 -4.081 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.679 -6.293 -6.889 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.962 -6.970 -2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.871 -8.409 -5.610 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.193 -9.589 -3.841 1.00 0.00 H new ATOM 722 N ASP A 47 -0.337 -6.021 -6.699 1.00 0.00 N ATOM 723 CA ASP A 47 0.248 -7.257 -7.292 1.00 0.00 C ATOM 724 C ASP A 47 -0.399 -8.488 -6.654 1.00 0.00 C ATOM 725 O ASP A 47 -0.041 -8.894 -5.564 1.00 0.00 O ATOM 726 CB ASP A 47 1.739 -7.197 -6.961 1.00 0.00 C ATOM 727 CG ASP A 47 2.521 -8.028 -7.980 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.657 -7.576 -9.104 1.00 0.00 O ATOM 729 OD2 ASP A 47 2.971 -9.103 -7.616 1.00 0.00 O ATOM 0 H ASP A 47 -0.161 -5.897 -5.702 1.00 0.00 H new ATOM 0 HA ASP A 47 0.081 -7.324 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.085 -6.163 -6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.915 -7.577 -5.954 1.00 0.00 H new ATOM 734 N ASP A 48 -1.348 -9.085 -7.333 1.00 0.00 N ATOM 735 CA ASP A 48 -2.029 -10.298 -6.775 1.00 0.00 C ATOM 736 C ASP A 48 -1.100 -11.525 -6.793 1.00 0.00 C ATOM 737 O ASP A 48 -1.466 -12.586 -6.324 1.00 0.00 O ATOM 738 CB ASP A 48 -3.245 -10.530 -7.683 1.00 0.00 C ATOM 739 CG ASP A 48 -2.786 -10.742 -9.129 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.265 -9.803 -9.708 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.964 -11.840 -9.630 1.00 0.00 O ATOM 0 H ASP A 48 -1.681 -8.786 -8.249 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.313 -10.150 -5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.805 -11.400 -7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.919 -9.675 -7.628 1.00 0.00 H new ATOM 746 N ALA A 49 0.094 -11.390 -7.319 1.00 0.00 N ATOM 747 CA ALA A 49 1.038 -12.541 -7.356 1.00 0.00 C ATOM 748 C ALA A 49 1.935 -12.515 -6.117 1.00 0.00 C ATOM 749 O ALA A 49 2.427 -13.537 -5.677 1.00 0.00 O ATOM 750 CB ALA A 49 1.867 -12.335 -8.624 1.00 0.00 C ATOM 0 H ALA A 49 0.453 -10.526 -7.725 1.00 0.00 H new ATOM 0 HA ALA A 49 0.524 -13.502 -7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.589 -13.146 -8.723 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.208 -12.328 -9.492 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.396 -11.384 -8.562 1.00 0.00 H new ATOM 756 N THR A 50 2.142 -11.353 -5.544 1.00 0.00 N ATOM 757 CA THR A 50 2.994 -11.258 -4.325 1.00 0.00 C ATOM 758 C THR A 50 2.284 -10.432 -3.247 1.00 0.00 C ATOM 759 O THR A 50 2.868 -10.094 -2.235 1.00 0.00 O ATOM 760 CB THR A 50 4.271 -10.552 -4.785 1.00 0.00 C ATOM 761 OG1 THR A 50 3.939 -9.282 -5.328 1.00 0.00 O ATOM 762 CG2 THR A 50 4.964 -11.401 -5.851 1.00 0.00 C ATOM 0 H THR A 50 1.755 -10.468 -5.871 1.00 0.00 H new ATOM 0 HA THR A 50 3.203 -12.236 -3.892 1.00 0.00 H new ATOM 0 HB THR A 50 4.941 -10.418 -3.936 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.929 -9.337 -6.306 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.874 -10.900 -6.180 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.217 -12.375 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.295 -11.534 -6.701 1.00 0.00 H new ATOM 770 N LYS A 51 1.025 -10.096 -3.454 1.00 0.00 N ATOM 771 CA LYS A 51 0.273 -9.285 -2.442 1.00 0.00 C ATOM 772 C LYS A 51 1.035 -7.996 -2.125 1.00 0.00 C ATOM 773 O LYS A 51 1.191 -7.623 -0.978 1.00 0.00 O ATOM 774 CB LYS A 51 0.165 -10.169 -1.193 1.00 0.00 C ATOM 775 CG LYS A 51 -0.572 -11.468 -1.538 1.00 0.00 C ATOM 776 CD LYS A 51 -2.037 -11.360 -1.108 1.00 0.00 C ATOM 777 CE LYS A 51 -2.684 -12.746 -1.150 1.00 0.00 C ATOM 778 NZ LYS A 51 -2.907 -13.022 -2.596 1.00 0.00 N ATOM 0 H LYS A 51 0.489 -10.351 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.711 -8.994 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.160 -10.395 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.367 -9.637 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.511 -11.659 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.097 -12.311 -1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.102 -10.947 -0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.572 -10.677 -1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.036 -13.498 -0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.622 -12.761 -0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.813 -13.518 -2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.930 -12.125 -3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.135 -13.616 -2.959 1.00 0.00 H new ATOM 792 N THR A 52 1.521 -7.325 -3.138 1.00 0.00 N ATOM 793 CA THR A 52 2.284 -6.061 -2.899 1.00 0.00 C ATOM 794 C THR A 52 1.812 -4.953 -3.847 1.00 0.00 C ATOM 795 O THR A 52 1.638 -5.171 -5.032 1.00 0.00 O ATOM 796 CB THR A 52 3.742 -6.424 -3.183 1.00 0.00 C ATOM 797 OG1 THR A 52 4.108 -7.550 -2.397 1.00 0.00 O ATOM 798 CG2 THR A 52 4.639 -5.239 -2.833 1.00 0.00 C ATOM 0 H THR A 52 1.424 -7.596 -4.117 1.00 0.00 H new ATOM 0 HA THR A 52 2.142 -5.683 -1.886 1.00 0.00 H new ATOM 0 HB THR A 52 3.860 -6.665 -4.239 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.042 -7.786 -2.578 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.678 -5.497 -3.035 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.355 -4.377 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.525 -4.996 -1.777 1.00 0.00 H new ATOM 806 N PHE A 53 1.612 -3.762 -3.332 1.00 0.00 N ATOM 807 CA PHE A 53 1.160 -2.632 -4.201 1.00 0.00 C ATOM 808 C PHE A 53 2.385 -1.883 -4.753 1.00 0.00 C ATOM 809 O PHE A 53 3.506 -2.327 -4.580 1.00 0.00 O ATOM 810 CB PHE A 53 0.318 -1.735 -3.288 1.00 0.00 C ATOM 811 CG PHE A 53 -0.970 -2.444 -2.928 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.969 -3.438 -1.937 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.165 -2.114 -3.584 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.162 -4.098 -1.604 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.352 -2.777 -3.249 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.350 -3.766 -2.260 1.00 0.00 C ATOM 0 H PHE A 53 1.743 -3.526 -2.348 1.00 0.00 H new ATOM 0 HA PHE A 53 0.582 -2.966 -5.063 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.877 -1.493 -2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.098 -0.792 -3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.050 -3.695 -1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.170 -1.349 -4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.162 -4.862 -0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.272 -2.524 -3.756 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.268 -4.274 -2.003 1.00 0.00 H new ATOM 826 N THR A 54 2.195 -0.760 -5.416 1.00 0.00 N ATOM 827 CA THR A 54 3.364 -0.011 -5.965 1.00 0.00 C ATOM 828 C THR A 54 2.973 1.448 -6.133 1.00 0.00 C ATOM 829 O THR A 54 2.340 1.820 -7.104 1.00 0.00 O ATOM 830 CB THR A 54 3.675 -0.642 -7.329 1.00 0.00 C ATOM 831 OG1 THR A 54 3.334 -2.023 -7.318 1.00 0.00 O ATOM 832 CG2 THR A 54 5.166 -0.489 -7.632 1.00 0.00 C ATOM 0 H THR A 54 1.284 -0.337 -5.596 1.00 0.00 H new ATOM 0 HA THR A 54 4.233 -0.060 -5.309 1.00 0.00 H new ATOM 0 HB THR A 54 3.089 -0.137 -8.097 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.494 -2.156 -7.805 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.388 -0.937 -8.601 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.426 0.569 -7.653 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.748 -0.990 -6.858 1.00 0.00 H new ATOM 840 N VAL A 55 3.323 2.270 -5.184 1.00 0.00 N ATOM 841 CA VAL A 55 2.946 3.705 -5.273 1.00 0.00 C ATOM 842 C VAL A 55 4.179 4.588 -5.466 1.00 0.00 C ATOM 843 O VAL A 55 5.247 4.308 -4.955 1.00 0.00 O ATOM 844 CB VAL A 55 2.239 4.015 -3.948 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.181 3.728 -2.780 1.00 0.00 C ATOM 846 CG2 VAL A 55 1.822 5.489 -3.915 1.00 0.00 C ATOM 0 H VAL A 55 3.853 2.010 -4.352 1.00 0.00 H new ATOM 0 HA VAL A 55 2.302 3.904 -6.130 1.00 0.00 H new ATOM 0 HB VAL A 55 1.353 3.386 -3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.674 3.950 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.471 2.678 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.071 4.352 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.320 5.704 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.706 6.119 -4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.142 5.693 -4.742 1.00 0.00 H new ATOM 856 N THR A 56 4.021 5.659 -6.198 1.00 0.00 N ATOM 857 CA THR A 56 5.165 6.584 -6.435 1.00 0.00 C ATOM 858 C THR A 56 4.661 8.032 -6.507 1.00 0.00 C ATOM 859 O THR A 56 3.505 8.303 -6.244 1.00 0.00 O ATOM 860 CB THR A 56 5.787 6.115 -7.764 1.00 0.00 C ATOM 861 OG1 THR A 56 7.078 6.687 -7.905 1.00 0.00 O ATOM 862 CG2 THR A 56 4.921 6.514 -8.963 1.00 0.00 C ATOM 0 H THR A 56 3.145 5.933 -6.643 1.00 0.00 H new ATOM 0 HA THR A 56 5.904 6.565 -5.634 1.00 0.00 H new ATOM 0 HB THR A 56 5.854 5.027 -7.742 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.345 6.664 -8.848 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.391 6.167 -9.883 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.934 6.061 -8.866 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.820 7.599 -8.994 1.00 0.00 H new ATOM 870 N GLU A 57 5.517 8.956 -6.860 1.00 0.00 N ATOM 871 CA GLU A 57 5.086 10.384 -6.950 1.00 0.00 C ATOM 872 C GLU A 57 5.287 10.908 -8.374 1.00 0.00 C ATOM 873 O GLU A 57 5.752 10.147 -9.206 1.00 0.00 O ATOM 874 CB GLU A 57 5.988 11.137 -5.967 1.00 0.00 C ATOM 875 CG GLU A 57 5.789 10.586 -4.549 1.00 0.00 C ATOM 876 CD GLU A 57 6.951 9.657 -4.187 1.00 0.00 C ATOM 877 OE1 GLU A 57 8.082 10.021 -4.461 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.686 8.596 -3.644 1.00 0.00 O ATOM 879 OXT GLU A 57 4.971 12.064 -8.608 1.00 0.00 O ATOM 0 H GLU A 57 6.496 8.784 -7.090 1.00 0.00 H new ATOM 0 HA GLU A 57 4.030 10.511 -6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.032 11.032 -6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.755 12.202 -5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.731 11.407 -3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.845 10.044 -4.488 1.00 0.00 H new