USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 777 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 LYS N :NH3+ 157:sc= 1.22 (180deg=0.444) USER MOD Single : A 1 LYS NZ :NH3+ -174:sc= 1.01 (180deg=0.826) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 155:sc= 2.54 (180deg=0.0944) USER MOD Single : A 9 GLN : amide:sc= 0.573 K(o=0.57,f=-6!) USER MOD Single : A 13 GLN : amide:sc= -0.228 K(o=-0.23,f=-8.1!) USER MOD Single : A 22 SER OG : rot 41:sc= 0.787 USER MOD Single : A 23 THR OG1 : rot -76:sc= 1.16 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.733 K(o=0.73,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= 1.24 (180deg=0.365) USER MOD Single : A 45 ASN : amide:sc= 0.886 K(o=0.89,f=-0.92) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 130:sc= -0.314 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 2.33 (180deg=2.3) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 153:sc= 0.981 (180deg=-0.216!) USER MOD Single : A 74 TYR OH : rot 37:sc= 1.22 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 1.82 K(o=1.8,f=-3.7!) USER MOD Single : A 82 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 84 THR OG1 : rot 125:sc= 1.22 USER MOD Single : A 87 LYS NZ :NH3+ 176:sc= 1.15 (180deg=0.958) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 1 2.060 12.698 4.224 1.00 0.00 N ATOM 36 CA LYS A 1 1.397 13.526 5.277 1.00 0.00 C ATOM 37 C LYS A 1 0.538 12.655 6.251 1.00 0.00 C ATOM 38 O LYS A 1 0.875 12.534 7.431 1.00 0.00 O ATOM 39 CB LYS A 1 0.626 14.728 4.621 1.00 0.00 C ATOM 40 CG LYS A 1 1.208 16.133 4.905 1.00 0.00 C ATOM 41 CD LYS A 1 2.466 16.500 4.074 1.00 0.00 C ATOM 42 CE LYS A 1 3.647 17.083 4.877 1.00 0.00 C ATOM 43 NZ LYS A 1 4.338 16.020 5.657 1.00 0.00 N ATOM 0 H1 LYS A 1 2.283 13.295 3.402 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.938 12.291 4.604 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.421 11.931 3.932 1.00 0.00 H new ATOM 0 HA LYS A 1 2.161 13.969 5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 1 0.603 14.576 3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -0.407 14.706 4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 1 0.434 16.876 4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 1 1.458 16.199 5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 1 2.810 15.606 3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 1 2.177 17.222 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 1 4.354 17.558 4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 1 3.285 17.858 5.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 5.062 16.451 6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 3.645 15.516 6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 4.790 15.348 5.004 1.00 0.00 H new ATOM 57 N VAL A 2 -0.573 12.064 5.773 1.00 0.00 N ATOM 58 CA VAL A 2 -1.393 11.094 6.572 1.00 0.00 C ATOM 59 C VAL A 2 -1.457 9.763 5.750 1.00 0.00 C ATOM 60 O VAL A 2 -2.478 9.427 5.135 1.00 0.00 O ATOM 61 CB VAL A 2 -2.782 11.718 6.957 1.00 0.00 C ATOM 62 CG1 VAL A 2 -3.728 10.772 7.737 1.00 0.00 C ATOM 63 CG2 VAL A 2 -2.675 13.008 7.803 1.00 0.00 C ATOM 0 H VAL A 2 -0.936 12.233 4.835 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.943 10.864 7.538 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.200 11.930 5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -4.661 11.291 7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.938 9.889 7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.252 10.469 8.670 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.675 13.379 8.029 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.150 12.791 8.733 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.125 13.765 7.244 1.00 0.00 H new ATOM 73 N ASP A 3 -0.336 9.022 5.727 1.00 0.00 N ATOM 74 CA ASP A 3 -0.127 7.904 4.771 1.00 0.00 C ATOM 75 C ASP A 3 -0.450 6.546 5.454 1.00 0.00 C ATOM 76 O ASP A 3 0.366 5.984 6.193 1.00 0.00 O ATOM 77 CB ASP A 3 1.311 8.017 4.191 1.00 0.00 C ATOM 78 CG ASP A 3 1.452 9.071 3.088 1.00 0.00 C ATOM 79 OD1 ASP A 3 1.172 10.263 3.344 1.00 0.00 O ATOM 80 OD2 ASP A 3 1.789 8.709 1.939 1.00 0.00 O ATOM 0 H ASP A 3 0.448 9.173 6.361 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.813 7.962 3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.001 8.257 5.000 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.610 7.047 3.794 1.00 0.00 H new ATOM 85 N ILE A 4 -1.670 6.036 5.197 1.00 0.00 N ATOM 86 CA ILE A 4 -2.153 4.734 5.737 1.00 0.00 C ATOM 87 C ILE A 4 -1.612 3.597 4.802 1.00 0.00 C ATOM 88 O ILE A 4 -2.129 3.382 3.701 1.00 0.00 O ATOM 89 CB ILE A 4 -3.721 4.756 5.912 1.00 0.00 C ATOM 90 CG1 ILE A 4 -4.232 5.831 6.923 1.00 0.00 C ATOM 91 CG2 ILE A 4 -4.274 3.372 6.340 1.00 0.00 C ATOM 92 CD1 ILE A 4 -5.749 6.104 6.903 1.00 0.00 C ATOM 0 H ILE A 4 -2.355 6.510 4.609 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.769 4.542 6.739 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.098 5.021 4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.951 5.519 7.929 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.711 6.767 6.723 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.357 3.431 6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.026 2.630 5.581 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.829 3.081 7.291 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.991 6.866 7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -6.043 6.454 5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.287 5.186 7.138 1.00 0.00 H new ATOM 104 N THR A 5 -0.573 2.877 5.257 1.00 0.00 N ATOM 105 CA THR A 5 0.023 1.727 4.523 1.00 0.00 C ATOM 106 C THR A 5 -0.510 0.406 5.159 1.00 0.00 C ATOM 107 O THR A 5 -0.083 -0.009 6.241 1.00 0.00 O ATOM 108 CB THR A 5 1.579 1.847 4.504 1.00 0.00 C ATOM 109 OG1 THR A 5 1.988 3.064 3.889 1.00 0.00 O ATOM 110 CG2 THR A 5 2.293 0.733 3.721 1.00 0.00 C ATOM 0 H THR A 5 -0.114 3.070 6.147 1.00 0.00 H new ATOM 0 HA THR A 5 -0.278 1.724 3.475 1.00 0.00 H new ATOM 0 HB THR A 5 1.857 1.786 5.556 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.966 3.118 3.890 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.370 0.894 3.760 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.055 -0.234 4.165 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.961 0.748 2.683 1.00 0.00 H new ATOM 118 N ILE A 6 -1.459 -0.247 4.478 1.00 0.00 N ATOM 119 CA ILE A 6 -2.064 -1.535 4.926 1.00 0.00 C ATOM 120 C ILE A 6 -1.562 -2.646 3.957 1.00 0.00 C ATOM 121 O ILE A 6 -1.764 -2.538 2.745 1.00 0.00 O ATOM 122 CB ILE A 6 -3.631 -1.413 4.992 1.00 0.00 C ATOM 123 CG1 ILE A 6 -4.086 -0.440 6.116 1.00 0.00 C ATOM 124 CG2 ILE A 6 -4.347 -2.778 5.198 1.00 0.00 C ATOM 125 CD1 ILE A 6 -5.539 0.041 6.024 1.00 0.00 C ATOM 0 H ILE A 6 -1.840 0.094 3.595 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.756 -1.797 5.938 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.922 -1.019 4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.945 -0.932 7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.432 0.432 6.105 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.425 -2.622 5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.105 -3.444 4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.014 -3.226 6.134 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.753 0.714 6.854 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.689 0.568 5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.210 -0.817 6.070 1.00 0.00 H new ATOM 137 N LYS A 7 -1.000 -3.757 4.472 1.00 0.00 N ATOM 138 CA LYS A 7 -0.901 -5.014 3.671 1.00 0.00 C ATOM 139 C LYS A 7 -1.520 -6.261 4.380 1.00 0.00 C ATOM 140 O LYS A 7 -1.287 -6.531 5.564 1.00 0.00 O ATOM 141 CB LYS A 7 0.482 -5.215 3.007 1.00 0.00 C ATOM 142 CG LYS A 7 1.725 -5.472 3.884 1.00 0.00 C ATOM 143 CD LYS A 7 2.907 -6.109 3.108 1.00 0.00 C ATOM 144 CE LYS A 7 3.528 -5.251 1.978 1.00 0.00 C ATOM 145 NZ LYS A 7 4.273 -6.100 1.009 1.00 0.00 N ATOM 0 H LYS A 7 -0.614 -3.821 5.414 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.561 -4.882 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.392 -6.054 2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.686 -4.329 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.053 -4.529 4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.448 -6.127 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.693 -6.354 3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.565 -7.049 2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.741 -4.705 1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.201 -4.509 2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.312 -5.621 0.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.240 -6.259 1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.788 -7.014 0.904 1.00 0.00 H new ATOM 159 N ILE A 8 -2.354 -6.992 3.616 1.00 0.00 N ATOM 160 CA ILE A 8 -3.316 -7.997 4.151 1.00 0.00 C ATOM 161 C ILE A 8 -2.806 -9.407 3.717 1.00 0.00 C ATOM 162 O ILE A 8 -3.206 -9.893 2.651 1.00 0.00 O ATOM 163 CB ILE A 8 -4.773 -7.682 3.612 1.00 0.00 C ATOM 164 CG1 ILE A 8 -5.300 -6.245 3.896 1.00 0.00 C ATOM 165 CG2 ILE A 8 -5.819 -8.691 4.146 1.00 0.00 C ATOM 166 CD1 ILE A 8 -6.468 -5.763 3.012 1.00 0.00 C ATOM 0 H ILE A 8 -2.386 -6.907 2.600 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.375 -7.963 5.239 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.655 -7.773 2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.615 -6.195 4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.471 -5.547 3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.803 -8.438 3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.549 -9.698 3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.842 -8.649 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.749 -4.750 3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.160 -5.769 1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.322 -6.428 3.143 1.00 0.00 H new ATOM 178 N GLN A 9 -1.951 -10.081 4.517 1.00 0.00 N ATOM 179 CA GLN A 9 -1.459 -11.448 4.169 1.00 0.00 C ATOM 180 C GLN A 9 -2.437 -12.548 4.703 1.00 0.00 C ATOM 181 O GLN A 9 -2.747 -12.616 5.898 1.00 0.00 O ATOM 182 CB GLN A 9 0.059 -11.601 4.482 1.00 0.00 C ATOM 183 CG GLN A 9 0.495 -12.221 5.831 1.00 0.00 C ATOM 184 CD GLN A 9 0.703 -13.739 5.826 1.00 0.00 C ATOM 185 OE1 GLN A 9 -0.138 -14.530 6.244 1.00 0.00 O ATOM 186 NE2 GLN A 9 1.841 -14.199 5.361 1.00 0.00 N ATOM 0 H GLN A 9 -1.587 -9.715 5.397 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.488 -11.607 3.091 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.498 -12.204 3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.509 -10.610 4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.424 -11.746 6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.257 -11.978 6.582 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.548 -13.552 5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.019 -15.203 5.350 1.00 0.00 H new ATOM 195 N ARG A 10 -2.962 -13.367 3.783 1.00 0.00 N ATOM 196 CA ARG A 10 -4.077 -14.316 4.046 1.00 0.00 C ATOM 197 C ARG A 10 -3.629 -15.791 3.767 1.00 0.00 C ATOM 198 O ARG A 10 -2.553 -16.217 4.198 1.00 0.00 O ATOM 199 CB ARG A 10 -5.350 -13.761 3.315 1.00 0.00 C ATOM 200 CG ARG A 10 -5.243 -13.531 1.778 1.00 0.00 C ATOM 201 CD ARG A 10 -6.587 -13.495 1.025 1.00 0.00 C ATOM 202 NE ARG A 10 -7.091 -14.875 0.740 1.00 0.00 N ATOM 203 CZ ARG A 10 -6.829 -15.601 -0.351 1.00 0.00 C ATOM 204 NH1 ARG A 10 -6.134 -15.170 -1.372 1.00 0.00 N ATOM 205 NH2 ARG A 10 -7.291 -16.818 -0.408 1.00 0.00 N ATOM 0 H ARG A 10 -2.628 -13.398 2.820 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.364 -14.380 5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.173 -14.452 3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.621 -12.813 3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.721 -12.590 1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.626 -14.322 1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.323 -12.952 1.618 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.467 -12.950 0.089 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.691 -15.302 1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.753 -14.224 -1.367 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.973 -15.780 -2.173 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.837 -17.193 0.368 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.107 -17.396 -1.228 1.00 0.00 H new ATOM 219 N ASP A 11 -4.454 -16.583 3.069 1.00 0.00 N ATOM 220 CA ASP A 11 -4.113 -17.962 2.628 1.00 0.00 C ATOM 221 C ASP A 11 -3.091 -17.937 1.434 1.00 0.00 C ATOM 222 O ASP A 11 -3.463 -17.819 0.262 1.00 0.00 O ATOM 223 CB ASP A 11 -5.483 -18.631 2.339 1.00 0.00 C ATOM 224 CG ASP A 11 -5.448 -20.104 1.948 1.00 0.00 C ATOM 225 OD1 ASP A 11 -4.759 -20.896 2.626 1.00 0.00 O ATOM 226 OD2 ASP A 11 -6.127 -20.469 0.964 1.00 0.00 O ATOM 0 H ASP A 11 -5.389 -16.290 2.787 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.581 -18.551 3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.108 -18.528 3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.972 -18.076 1.538 1.00 0.00 H new ATOM 231 N GLY A 12 -1.784 -17.965 1.775 1.00 0.00 N ATOM 232 CA GLY A 12 -0.668 -17.893 0.783 1.00 0.00 C ATOM 233 C GLY A 12 -0.524 -16.664 -0.153 1.00 0.00 C ATOM 234 O GLY A 12 -0.004 -16.816 -1.260 1.00 0.00 O ATOM 0 H GLY A 12 -1.465 -18.038 2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.264 -17.984 1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.746 -18.775 0.147 1.00 0.00 H new ATOM 238 N GLN A 13 -1.003 -15.472 0.247 1.00 0.00 N ATOM 239 CA GLN A 13 -1.282 -14.354 -0.703 1.00 0.00 C ATOM 240 C GLN A 13 -1.419 -13.009 0.078 1.00 0.00 C ATOM 241 O GLN A 13 -2.153 -12.956 1.072 1.00 0.00 O ATOM 242 CB GLN A 13 -2.589 -14.707 -1.483 1.00 0.00 C ATOM 243 CG GLN A 13 -2.914 -13.857 -2.739 1.00 0.00 C ATOM 244 CD GLN A 13 -3.738 -12.596 -2.468 1.00 0.00 C ATOM 245 OE1 GLN A 13 -4.828 -12.654 -1.902 1.00 0.00 O ATOM 246 NE2 GLN A 13 -3.278 -11.437 -2.868 1.00 0.00 N ATOM 0 H GLN A 13 -1.209 -15.248 1.221 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.463 -14.228 -1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.529 -15.752 -1.788 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.428 -14.624 -0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.978 -13.566 -3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.454 -14.480 -3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.375 -11.382 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.823 -10.590 -2.709 1.00 0.00 H new ATOM 255 N GLU A 14 -0.761 -11.920 -0.377 1.00 0.00 N ATOM 256 CA GLU A 14 -0.872 -10.576 0.272 1.00 0.00 C ATOM 257 C GLU A 14 -1.381 -9.431 -0.664 1.00 0.00 C ATOM 258 O GLU A 14 -0.901 -9.261 -1.790 1.00 0.00 O ATOM 259 CB GLU A 14 0.413 -10.227 1.071 1.00 0.00 C ATOM 260 CG GLU A 14 1.746 -9.975 0.321 1.00 0.00 C ATOM 261 CD GLU A 14 2.919 -9.664 1.246 1.00 0.00 C ATOM 262 OE1 GLU A 14 3.202 -10.460 2.165 1.00 0.00 O ATOM 263 OE2 GLU A 14 3.570 -8.616 1.045 1.00 0.00 O ATOM 0 H GLU A 14 -0.145 -11.936 -1.190 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.681 -10.659 0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.197 -9.334 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.587 -11.039 1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.989 -10.854 -0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.611 -9.145 -0.373 1.00 0.00 H new ATOM 270 N ILE A 15 -2.363 -8.638 -0.183 1.00 0.00 N ATOM 271 CA ILE A 15 -2.905 -7.449 -0.912 1.00 0.00 C ATOM 272 C ILE A 15 -2.298 -6.181 -0.225 1.00 0.00 C ATOM 273 O ILE A 15 -2.646 -5.892 0.926 1.00 0.00 O ATOM 274 CB ILE A 15 -4.485 -7.391 -0.924 1.00 0.00 C ATOM 275 CG1 ILE A 15 -5.241 -8.664 -1.415 1.00 0.00 C ATOM 276 CG2 ILE A 15 -4.992 -6.195 -1.780 1.00 0.00 C ATOM 277 CD1 ILE A 15 -5.401 -9.791 -0.374 1.00 0.00 C ATOM 0 H ILE A 15 -2.809 -8.796 0.721 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.620 -7.509 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.718 -7.287 0.136 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.233 -8.366 -1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.714 -9.066 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.082 -6.178 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.611 -5.262 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.639 -6.306 -2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.940 -10.626 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.417 -10.128 -0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.959 -9.417 0.484 1.00 0.00 H new ATOM 289 N GLU A 16 -1.425 -5.425 -0.921 1.00 0.00 N ATOM 290 CA GLU A 16 -0.778 -4.204 -0.354 1.00 0.00 C ATOM 291 C GLU A 16 -1.347 -2.852 -0.894 1.00 0.00 C ATOM 292 O GLU A 16 -1.465 -2.638 -2.104 1.00 0.00 O ATOM 293 CB GLU A 16 0.763 -4.317 -0.418 1.00 0.00 C ATOM 294 CG GLU A 16 1.510 -4.268 -1.772 1.00 0.00 C ATOM 295 CD GLU A 16 3.020 -4.295 -1.576 1.00 0.00 C ATOM 296 OE1 GLU A 16 3.591 -5.399 -1.430 1.00 0.00 O ATOM 297 OE2 GLU A 16 3.637 -3.217 -1.486 1.00 0.00 O ATOM 0 H GLU A 16 -1.145 -5.632 -1.880 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.052 -4.169 0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.168 -3.515 0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.034 -5.257 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.206 -5.115 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.228 -3.364 -2.312 1.00 0.00 H new ATOM 304 N ILE A 17 -1.709 -1.949 0.036 1.00 0.00 N ATOM 305 CA ILE A 17 -2.453 -0.689 -0.268 1.00 0.00 C ATOM 306 C ILE A 17 -1.791 0.467 0.561 1.00 0.00 C ATOM 307 O ILE A 17 -1.945 0.497 1.787 1.00 0.00 O ATOM 308 CB ILE A 17 -3.986 -0.859 0.084 1.00 0.00 C ATOM 309 CG1 ILE A 17 -4.743 -2.004 -0.656 1.00 0.00 C ATOM 310 CG2 ILE A 17 -4.816 0.449 -0.030 1.00 0.00 C ATOM 311 CD1 ILE A 17 -4.875 -1.880 -2.187 1.00 0.00 C ATOM 0 H ILE A 17 -1.498 -2.063 1.027 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.398 -0.451 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.917 -1.152 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.236 -2.943 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.746 -2.075 -0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.855 0.244 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.413 1.196 0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.763 0.825 -1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.421 -2.739 -2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.415 -0.966 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.882 -1.847 -2.636 1.00 0.00 H new ATOM 323 N ASP A 18 -1.134 1.453 -0.086 1.00 0.00 N ATOM 324 CA ASP A 18 -0.768 2.740 0.578 1.00 0.00 C ATOM 325 C ASP A 18 -1.690 3.908 0.089 1.00 0.00 C ATOM 326 O ASP A 18 -1.847 4.143 -1.116 1.00 0.00 O ATOM 327 CB ASP A 18 0.764 2.995 0.537 1.00 0.00 C ATOM 328 CG ASP A 18 1.343 3.693 -0.688 1.00 0.00 C ATOM 329 OD1 ASP A 18 1.120 3.248 -1.829 1.00 0.00 O ATOM 330 OD2 ASP A 18 1.957 4.765 -0.515 1.00 0.00 O ATOM 0 H ASP A 18 -0.844 1.391 -1.062 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.976 2.674 1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.027 3.587 1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.265 2.033 0.640 1.00 0.00 H new ATOM 335 N ILE A 19 -2.325 4.626 1.029 1.00 0.00 N ATOM 336 CA ILE A 19 -3.360 5.655 0.707 1.00 0.00 C ATOM 337 C ILE A 19 -3.146 6.915 1.606 1.00 0.00 C ATOM 338 O ILE A 19 -3.263 6.862 2.835 1.00 0.00 O ATOM 339 CB ILE A 19 -4.833 5.103 0.748 1.00 0.00 C ATOM 340 CG1 ILE A 19 -5.265 4.384 2.068 1.00 0.00 C ATOM 341 CG2 ILE A 19 -5.146 4.212 -0.479 1.00 0.00 C ATOM 342 CD1 ILE A 19 -6.307 5.160 2.887 1.00 0.00 C ATOM 0 H ILE A 19 -2.147 4.521 2.028 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.224 5.952 -0.333 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.439 6.009 0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.670 3.403 1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.382 4.218 2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.172 3.850 -0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.024 4.794 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.463 3.363 -0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.555 4.597 3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.899 6.131 3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.207 5.303 2.289 1.00 0.00 H new ATOM 354 N ARG A 20 -2.832 8.059 0.972 1.00 0.00 N ATOM 355 CA ARG A 20 -2.530 9.331 1.682 1.00 0.00 C ATOM 356 C ARG A 20 -3.769 10.266 1.778 1.00 0.00 C ATOM 357 O ARG A 20 -4.172 10.901 0.798 1.00 0.00 O ATOM 358 CB ARG A 20 -1.254 9.959 1.077 1.00 0.00 C ATOM 359 CG ARG A 20 -1.236 10.442 -0.398 1.00 0.00 C ATOM 360 CD ARG A 20 -0.017 9.900 -1.180 1.00 0.00 C ATOM 361 NE ARG A 20 -0.274 8.529 -1.709 1.00 0.00 N ATOM 362 CZ ARG A 20 0.357 7.413 -1.343 1.00 0.00 C ATOM 363 NH1 ARG A 20 1.180 7.296 -0.331 1.00 0.00 N ATOM 364 NH2 ARG A 20 0.142 6.336 -2.037 1.00 0.00 N ATOM 0 H ARG A 20 -2.779 8.136 -0.044 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.304 9.133 2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.991 10.815 1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.453 9.228 1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.153 10.123 -0.893 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.224 11.532 -0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.215 10.572 -2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.856 9.882 -0.528 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.001 8.437 -2.418 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.385 8.105 0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.616 6.396 -0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.493 6.362 -2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.609 5.465 -1.784 1.00 0.00 H new ATOM 378 N VAL A 21 -4.384 10.317 2.970 1.00 0.00 N ATOM 379 CA VAL A 21 -5.693 11.004 3.190 1.00 0.00 C ATOM 380 C VAL A 21 -5.511 12.200 4.179 1.00 0.00 C ATOM 381 O VAL A 21 -5.865 12.122 5.360 1.00 0.00 O ATOM 382 CB VAL A 21 -6.838 9.993 3.571 1.00 0.00 C ATOM 383 CG1 VAL A 21 -7.241 9.081 2.390 1.00 0.00 C ATOM 384 CG2 VAL A 21 -6.583 9.102 4.810 1.00 0.00 C ATOM 0 H VAL A 21 -4.001 9.889 3.813 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.035 11.438 2.251 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.652 10.668 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.034 8.404 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.597 9.694 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.376 8.501 2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.441 8.449 4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.692 8.496 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.436 9.732 5.687 1.00 0.00 H new ATOM 394 N SER A 22 -4.983 13.337 3.676 1.00 0.00 N ATOM 395 CA SER A 22 -4.646 14.532 4.502 1.00 0.00 C ATOM 396 C SER A 22 -5.899 15.301 5.028 1.00 0.00 C ATOM 397 O SER A 22 -6.433 16.202 4.369 1.00 0.00 O ATOM 398 CB SER A 22 -3.699 15.429 3.669 1.00 0.00 C ATOM 399 OG SER A 22 -4.385 16.033 2.570 1.00 0.00 O ATOM 0 H SER A 22 -4.776 13.459 2.685 1.00 0.00 H new ATOM 0 HA SER A 22 -4.144 14.206 5.413 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.276 16.205 4.307 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.865 14.833 3.297 1.00 0.00 H new ATOM 0 HG SER A 22 -5.271 16.332 2.862 1.00 0.00 H new ATOM 405 N THR A 23 -6.397 14.846 6.184 1.00 0.00 N ATOM 406 CA THR A 23 -7.822 15.029 6.581 1.00 0.00 C ATOM 407 C THR A 23 -7.951 15.035 8.136 1.00 0.00 C ATOM 408 O THR A 23 -7.320 14.236 8.837 1.00 0.00 O ATOM 409 CB THR A 23 -8.739 13.904 5.985 1.00 0.00 C ATOM 410 OG1 THR A 23 -8.272 12.605 6.336 1.00 0.00 O ATOM 411 CG2 THR A 23 -8.914 13.914 4.459 1.00 0.00 C ATOM 0 H THR A 23 -5.839 14.343 6.874 1.00 0.00 H new ATOM 0 HA THR A 23 -8.153 15.987 6.180 1.00 0.00 H new ATOM 0 HB THR A 23 -9.707 14.133 6.430 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.496 12.376 5.784 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.567 13.093 4.162 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.358 14.860 4.150 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.942 13.796 3.980 1.00 0.00 H new ATOM 419 N GLY A 24 -8.831 15.900 8.675 1.00 0.00 N ATOM 420 CA GLY A 24 -9.189 15.872 10.123 1.00 0.00 C ATOM 421 C GLY A 24 -10.174 14.756 10.546 1.00 0.00 C ATOM 422 O GLY A 24 -9.824 13.906 11.363 1.00 0.00 O ATOM 0 H GLY A 24 -9.309 16.626 8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.273 15.763 10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.623 16.836 10.390 1.00 0.00 H new ATOM 426 N LYS A 25 -11.399 14.771 9.995 1.00 0.00 N ATOM 427 CA LYS A 25 -12.412 13.691 10.219 1.00 0.00 C ATOM 428 C LYS A 25 -12.931 12.929 8.955 1.00 0.00 C ATOM 429 O LYS A 25 -13.770 12.042 9.113 1.00 0.00 O ATOM 430 CB LYS A 25 -13.523 14.266 11.153 1.00 0.00 C ATOM 431 CG LYS A 25 -14.712 15.061 10.552 1.00 0.00 C ATOM 432 CD LYS A 25 -14.361 16.303 9.708 1.00 0.00 C ATOM 433 CE LYS A 25 -15.620 17.057 9.234 1.00 0.00 C ATOM 434 NZ LYS A 25 -15.236 18.078 8.225 1.00 0.00 N ATOM 0 H LYS A 25 -11.727 15.519 9.384 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.907 12.861 10.714 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.943 13.428 11.710 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.032 14.916 11.877 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.296 14.382 9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.358 15.378 11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.736 16.975 10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.774 15.998 8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.336 16.357 8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.111 17.535 10.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.085 18.587 7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.568 18.752 8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.786 17.611 7.412 1.00 0.00 H new ATOM 448 N GLU A 26 -12.433 13.178 7.728 1.00 0.00 N ATOM 449 CA GLU A 26 -12.852 12.395 6.523 1.00 0.00 C ATOM 450 C GLU A 26 -12.088 11.041 6.276 1.00 0.00 C ATOM 451 O GLU A 26 -12.636 10.155 5.613 1.00 0.00 O ATOM 452 CB GLU A 26 -12.967 13.315 5.275 1.00 0.00 C ATOM 453 CG GLU A 26 -13.904 14.561 5.382 1.00 0.00 C ATOM 454 CD GLU A 26 -15.302 14.327 5.948 1.00 0.00 C ATOM 455 OE1 GLU A 26 -16.152 13.725 5.265 1.00 0.00 O ATOM 456 OE2 GLU A 26 -15.553 14.694 7.115 1.00 0.00 O ATOM 0 H GLU A 26 -11.746 13.906 7.534 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.853 12.026 6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.967 13.667 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.311 12.706 4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.407 15.307 6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.009 14.993 4.387 1.00 0.00 H new ATOM 463 N LEU A 27 -10.904 10.809 6.886 1.00 0.00 N ATOM 464 CA LEU A 27 -10.344 9.440 7.102 1.00 0.00 C ATOM 465 C LEU A 27 -11.253 8.375 7.814 1.00 0.00 C ATOM 466 O LEU A 27 -11.135 7.195 7.482 1.00 0.00 O ATOM 467 CB LEU A 27 -8.922 9.522 7.733 1.00 0.00 C ATOM 468 CG LEU A 27 -8.755 9.802 9.256 1.00 0.00 C ATOM 469 CD1 LEU A 27 -7.285 9.617 9.671 1.00 0.00 C ATOM 470 CD2 LEU A 27 -9.212 11.208 9.678 1.00 0.00 C ATOM 0 H LEU A 27 -10.307 11.555 7.243 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.287 9.030 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.420 8.578 7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.376 10.300 7.200 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.399 9.084 9.763 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.180 9.815 10.738 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.973 8.594 9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.658 10.310 9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.066 11.331 10.751 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.626 11.956 9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.268 11.335 9.438 1.00 0.00 H new ATOM 482 N GLU A 28 -12.175 8.771 8.720 1.00 0.00 N ATOM 483 CA GLU A 28 -13.305 7.916 9.214 1.00 0.00 C ATOM 484 C GLU A 28 -14.047 7.033 8.141 1.00 0.00 C ATOM 485 O GLU A 28 -14.242 5.831 8.345 1.00 0.00 O ATOM 486 CB GLU A 28 -14.351 8.868 9.867 1.00 0.00 C ATOM 487 CG GLU A 28 -14.029 9.618 11.183 1.00 0.00 C ATOM 488 CD GLU A 28 -15.070 10.662 11.618 1.00 0.00 C ATOM 489 OE1 GLU A 28 -16.108 10.874 10.942 1.00 0.00 O ATOM 490 OE2 GLU A 28 -14.822 11.300 12.657 1.00 0.00 O ATOM 0 H GLU A 28 -12.165 9.701 9.140 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.854 7.198 9.899 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.606 9.623 9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -15.251 8.280 10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.919 8.885 11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.065 10.115 11.072 1.00 0.00 H new ATOM 497 N ARG A 29 -14.446 7.640 7.005 1.00 0.00 N ATOM 498 CA ARG A 29 -15.135 6.928 5.885 1.00 0.00 C ATOM 499 C ARG A 29 -14.228 5.887 5.144 1.00 0.00 C ATOM 500 O ARG A 29 -14.631 4.732 4.989 1.00 0.00 O ATOM 501 CB ARG A 29 -15.801 7.909 4.869 1.00 0.00 C ATOM 502 CG ARG A 29 -16.751 9.016 5.408 1.00 0.00 C ATOM 503 CD ARG A 29 -15.986 10.310 5.753 1.00 0.00 C ATOM 504 NE ARG A 29 -16.747 11.376 6.457 1.00 0.00 N ATOM 505 CZ ARG A 29 -16.858 11.429 7.780 1.00 0.00 C ATOM 506 NH1 ARG A 29 -17.035 10.369 8.516 1.00 0.00 N ATOM 507 NH2 ARG A 29 -16.760 12.570 8.385 1.00 0.00 N ATOM 0 H ARG A 29 -14.305 8.635 6.829 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.928 6.359 6.370 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -15.002 8.401 4.314 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -16.365 7.310 4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -17.515 9.234 4.662 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -17.267 8.651 6.296 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.128 10.042 6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.594 10.729 4.826 1.00 0.00 H new ATOM 0 HE ARG A 29 -17.204 12.098 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -17.094 9.449 8.079 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.115 10.459 9.529 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.599 13.421 7.846 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.844 12.618 9.400 1.00 0.00 H new ATOM 521 N ALA A 30 -13.001 6.275 4.736 1.00 0.00 N ATOM 522 CA ALA A 30 -11.960 5.315 4.278 1.00 0.00 C ATOM 523 C ALA A 30 -11.569 4.190 5.296 1.00 0.00 C ATOM 524 O ALA A 30 -11.549 3.020 4.909 1.00 0.00 O ATOM 525 CB ALA A 30 -10.750 6.156 3.824 1.00 0.00 C ATOM 0 H ALA A 30 -12.701 7.250 4.713 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.375 4.730 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.956 5.494 3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.051 6.818 3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.386 6.752 4.661 1.00 0.00 H new ATOM 531 N LEU A 31 -11.319 4.513 6.582 1.00 0.00 N ATOM 532 CA LEU A 31 -11.102 3.505 7.661 1.00 0.00 C ATOM 533 C LEU A 31 -12.259 2.464 7.871 1.00 0.00 C ATOM 534 O LEU A 31 -11.964 1.277 8.010 1.00 0.00 O ATOM 535 CB LEU A 31 -10.723 4.274 8.962 1.00 0.00 C ATOM 536 CG LEU A 31 -9.990 3.457 10.060 1.00 0.00 C ATOM 537 CD1 LEU A 31 -8.527 3.157 9.674 1.00 0.00 C ATOM 538 CD2 LEU A 31 -10.008 4.211 11.402 1.00 0.00 C ATOM 0 H LEU A 31 -11.260 5.477 6.910 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.284 2.857 7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.092 5.119 8.687 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.636 4.684 9.394 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.524 2.512 10.159 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.051 2.584 10.470 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.506 2.581 8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.989 4.094 9.530 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.489 3.621 12.158 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.508 5.173 11.286 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.040 4.374 11.714 1.00 0.00 H new ATOM 550 N GLN A 32 -13.547 2.868 7.843 1.00 0.00 N ATOM 551 CA GLN A 32 -14.693 1.916 7.767 1.00 0.00 C ATOM 552 C GLN A 32 -14.864 1.110 6.433 1.00 0.00 C ATOM 553 O GLN A 32 -15.176 -0.082 6.504 1.00 0.00 O ATOM 554 CB GLN A 32 -15.984 2.662 8.203 1.00 0.00 C ATOM 555 CG GLN A 32 -16.229 2.734 9.737 1.00 0.00 C ATOM 556 CD GLN A 32 -16.562 1.384 10.394 1.00 0.00 C ATOM 557 OE1 GLN A 32 -17.672 0.873 10.294 1.00 0.00 O ATOM 558 NE2 GLN A 32 -15.618 0.751 11.053 1.00 0.00 N ATOM 0 H GLN A 32 -13.827 3.848 7.872 1.00 0.00 H new ATOM 0 HA GLN A 32 -14.463 1.108 8.461 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -15.946 3.678 7.811 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.840 2.173 7.738 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -15.341 3.147 10.215 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.047 3.429 9.929 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.691 1.167 11.142 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.812 -0.157 11.476 1.00 0.00 H new ATOM 567 N GLU A 33 -14.629 1.693 5.241 1.00 0.00 N ATOM 568 CA GLU A 33 -14.467 0.913 3.970 1.00 0.00 C ATOM 569 C GLU A 33 -13.301 -0.149 3.975 1.00 0.00 C ATOM 570 O GLU A 33 -13.493 -1.297 3.565 1.00 0.00 O ATOM 571 CB GLU A 33 -14.368 1.939 2.806 1.00 0.00 C ATOM 572 CG GLU A 33 -14.509 1.364 1.369 1.00 0.00 C ATOM 573 CD GLU A 33 -15.870 0.791 0.989 1.00 0.00 C ATOM 574 OE1 GLU A 33 -16.922 1.363 1.345 1.00 0.00 O ATOM 575 OE2 GLU A 33 -15.917 -0.271 0.332 1.00 0.00 O ATOM 0 H GLU A 33 -14.545 2.702 5.118 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.342 0.275 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.140 2.695 2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.407 2.447 2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.264 2.155 0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.763 0.580 1.242 1.00 0.00 H new ATOM 582 N LEU A 34 -12.118 0.214 4.502 1.00 0.00 N ATOM 583 CA LEU A 34 -11.028 -0.744 4.855 1.00 0.00 C ATOM 584 C LEU A 34 -11.392 -1.821 5.942 1.00 0.00 C ATOM 585 O LEU A 34 -11.061 -2.994 5.750 1.00 0.00 O ATOM 586 CB LEU A 34 -9.782 0.104 5.245 1.00 0.00 C ATOM 587 CG LEU A 34 -9.111 0.916 4.097 1.00 0.00 C ATOM 588 CD1 LEU A 34 -8.284 2.087 4.656 1.00 0.00 C ATOM 589 CD2 LEU A 34 -8.246 0.021 3.194 1.00 0.00 C ATOM 0 H LEU A 34 -11.879 1.186 4.701 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.829 -1.365 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.075 0.801 6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.035 -0.564 5.674 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.913 1.326 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.827 2.636 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.934 2.755 5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.503 1.701 5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.796 0.625 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.460 -0.444 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.868 -0.754 2.746 1.00 0.00 H new ATOM 601 N GLU A 35 -12.099 -1.461 7.035 1.00 0.00 N ATOM 602 CA GLU A 35 -12.706 -2.434 7.998 1.00 0.00 C ATOM 603 C GLU A 35 -13.702 -3.463 7.363 1.00 0.00 C ATOM 604 O GLU A 35 -13.489 -4.670 7.477 1.00 0.00 O ATOM 605 CB GLU A 35 -13.346 -1.630 9.160 1.00 0.00 C ATOM 606 CG GLU A 35 -13.636 -2.443 10.449 1.00 0.00 C ATOM 607 CD GLU A 35 -15.069 -2.873 10.685 1.00 0.00 C ATOM 608 OE1 GLU A 35 -15.854 -2.073 11.239 1.00 0.00 O ATOM 609 OE2 GLU A 35 -15.409 -4.048 10.442 1.00 0.00 O ATOM 0 H GLU A 35 -12.271 -0.487 7.284 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.904 -3.071 8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.685 -0.802 9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.281 -1.195 8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.013 -3.337 10.433 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.316 -1.847 11.304 1.00 0.00 H new ATOM 616 N LYS A 36 -14.728 -2.978 6.634 1.00 0.00 N ATOM 617 CA LYS A 36 -15.560 -3.775 5.681 1.00 0.00 C ATOM 618 C LYS A 36 -14.783 -4.765 4.737 1.00 0.00 C ATOM 619 O LYS A 36 -15.104 -5.958 4.713 1.00 0.00 O ATOM 620 CB LYS A 36 -16.382 -2.687 4.927 1.00 0.00 C ATOM 621 CG LYS A 36 -17.329 -3.114 3.777 1.00 0.00 C ATOM 622 CD LYS A 36 -17.641 -1.896 2.881 1.00 0.00 C ATOM 623 CE LYS A 36 -18.453 -2.223 1.615 1.00 0.00 C ATOM 624 NZ LYS A 36 -18.430 -1.018 0.744 1.00 0.00 N ATOM 0 H LYS A 36 -15.015 -2.001 6.686 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.184 -4.493 6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.983 -2.159 5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.674 -1.966 4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.866 -3.904 3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.253 -3.523 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -18.190 -1.160 3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.702 -1.430 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.024 -3.080 1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -19.478 -2.488 1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.152 -1.112 0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -18.629 -0.172 1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -17.492 -0.925 0.304 1.00 0.00 H new ATOM 638 N ALA A 37 -13.762 -4.291 3.993 1.00 0.00 N ATOM 639 CA ALA A 37 -12.833 -5.169 3.230 1.00 0.00 C ATOM 640 C ALA A 37 -12.030 -6.224 4.067 1.00 0.00 C ATOM 641 O ALA A 37 -12.044 -7.405 3.713 1.00 0.00 O ATOM 642 CB ALA A 37 -11.926 -4.235 2.403 1.00 0.00 C ATOM 0 H ALA A 37 -13.554 -3.297 3.901 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.428 -5.822 2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.223 -4.832 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.538 -3.637 1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.375 -3.575 3.074 1.00 0.00 H new ATOM 648 N LEU A 38 -11.387 -5.832 5.185 1.00 0.00 N ATOM 649 CA LEU A 38 -10.775 -6.776 6.168 1.00 0.00 C ATOM 650 C LEU A 38 -11.752 -7.822 6.817 1.00 0.00 C ATOM 651 O LEU A 38 -11.455 -9.021 6.781 1.00 0.00 O ATOM 652 CB LEU A 38 -9.999 -5.894 7.193 1.00 0.00 C ATOM 653 CG LEU A 38 -9.261 -6.605 8.358 1.00 0.00 C ATOM 654 CD1 LEU A 38 -8.240 -7.653 7.888 1.00 0.00 C ATOM 655 CD2 LEU A 38 -8.544 -5.569 9.240 1.00 0.00 C ATOM 0 H LEU A 38 -11.272 -4.851 5.441 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.098 -7.451 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.264 -5.309 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.706 -5.188 7.628 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.029 -7.132 8.924 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.762 -8.110 8.755 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.749 -8.422 7.307 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.483 -7.172 7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.029 -6.079 10.055 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.819 -5.020 8.640 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.275 -4.873 9.652 1.00 0.00 H new ATOM 667 N ALA A 39 -12.903 -7.391 7.370 1.00 0.00 N ATOM 668 CA ALA A 39 -13.971 -8.298 7.871 1.00 0.00 C ATOM 669 C ALA A 39 -14.582 -9.304 6.838 1.00 0.00 C ATOM 670 O ALA A 39 -14.754 -10.479 7.172 1.00 0.00 O ATOM 671 CB ALA A 39 -15.051 -7.395 8.501 1.00 0.00 C ATOM 0 H ALA A 39 -13.125 -6.402 7.485 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.514 -8.976 8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -15.862 -8.013 8.886 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -14.614 -6.820 9.317 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -15.441 -6.713 7.745 1.00 0.00 H new ATOM 677 N ARG A 40 -14.869 -8.876 5.591 1.00 0.00 N ATOM 678 CA ARG A 40 -15.228 -9.809 4.482 1.00 0.00 C ATOM 679 C ARG A 40 -14.076 -10.745 3.960 1.00 0.00 C ATOM 680 O ARG A 40 -14.360 -11.882 3.574 1.00 0.00 O ATOM 681 CB ARG A 40 -15.891 -8.965 3.359 1.00 0.00 C ATOM 682 CG ARG A 40 -16.693 -9.791 2.316 1.00 0.00 C ATOM 683 CD ARG A 40 -17.368 -8.952 1.214 1.00 0.00 C ATOM 684 NE ARG A 40 -16.360 -8.449 0.238 1.00 0.00 N ATOM 685 CZ ARG A 40 -16.633 -7.743 -0.858 1.00 0.00 C ATOM 686 NH1 ARG A 40 -17.845 -7.393 -1.213 1.00 0.00 N ATOM 687 NH2 ARG A 40 -15.642 -7.380 -1.620 1.00 0.00 N ATOM 0 H ARG A 40 -14.861 -7.893 5.319 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.927 -10.544 4.882 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.559 -8.236 3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.115 -8.403 2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.021 -10.509 1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -17.459 -10.365 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.112 -9.556 0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.897 -8.111 1.663 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.380 -8.663 0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -18.643 -7.662 -0.637 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -17.990 -6.851 -2.065 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.687 -7.637 -1.371 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.821 -6.839 -2.466 1.00 0.00 H new ATOM 701 N ALA A 41 -12.808 -10.293 3.935 1.00 0.00 N ATOM 702 CA ALA A 41 -11.643 -11.141 3.564 1.00 0.00 C ATOM 703 C ALA A 41 -11.216 -12.236 4.599 1.00 0.00 C ATOM 704 O ALA A 41 -11.048 -13.391 4.198 1.00 0.00 O ATOM 705 CB ALA A 41 -10.482 -10.184 3.221 1.00 0.00 C ATOM 0 H ALA A 41 -12.555 -9.333 4.170 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.943 -11.750 2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.603 -10.764 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.773 -9.543 2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.249 -9.568 4.090 1.00 0.00 H new ATOM 711 N GLY A 42 -10.998 -11.894 5.888 1.00 0.00 N ATOM 712 CA GLY A 42 -10.544 -12.877 6.916 1.00 0.00 C ATOM 713 C GLY A 42 -9.058 -13.294 6.825 1.00 0.00 C ATOM 714 O GLY A 42 -8.750 -14.383 6.337 1.00 0.00 O ATOM 0 H GLY A 42 -11.127 -10.948 6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.725 -12.453 7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.161 -13.772 6.835 1.00 0.00 H new ATOM 718 N ALA A 43 -8.141 -12.423 7.275 1.00 0.00 N ATOM 719 CA ALA A 43 -6.687 -12.574 6.993 1.00 0.00 C ATOM 720 C ALA A 43 -5.786 -12.903 8.227 1.00 0.00 C ATOM 721 O ALA A 43 -6.108 -12.589 9.380 1.00 0.00 O ATOM 722 CB ALA A 43 -6.285 -11.259 6.310 1.00 0.00 C ATOM 0 H ALA A 43 -8.371 -11.603 7.837 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.525 -13.451 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.223 -11.285 6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.864 -11.132 5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.482 -10.424 6.983 1.00 0.00 H new ATOM 728 N ARG A 44 -4.629 -13.533 7.946 1.00 0.00 N ATOM 729 CA ARG A 44 -3.690 -14.051 8.978 1.00 0.00 C ATOM 730 C ARG A 44 -2.837 -12.940 9.679 1.00 0.00 C ATOM 731 O ARG A 44 -3.078 -12.676 10.856 1.00 0.00 O ATOM 732 CB ARG A 44 -2.776 -15.141 8.343 1.00 0.00 C ATOM 733 CG ARG A 44 -3.402 -16.483 7.897 1.00 0.00 C ATOM 734 CD ARG A 44 -2.371 -17.435 7.246 1.00 0.00 C ATOM 735 NE ARG A 44 -1.480 -18.101 8.242 1.00 0.00 N ATOM 736 CZ ARG A 44 -0.222 -17.752 8.530 1.00 0.00 C ATOM 737 NH1 ARG A 44 0.403 -16.728 8.004 1.00 0.00 N ATOM 738 NH2 ARG A 44 0.428 -18.475 9.395 1.00 0.00 N ATOM 0 H ARG A 44 -4.311 -13.701 6.992 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.298 -14.485 9.772 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.294 -14.698 7.472 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.989 -15.369 9.062 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.850 -16.975 8.760 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.207 -16.286 7.189 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.900 -18.197 6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.760 -16.872 6.540 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.867 -18.896 8.750 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.073 -16.134 7.324 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.365 -16.524 8.274 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.024 -19.279 9.830 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.390 -18.237 9.638 1.00 0.00 H new ATOM 752 N ASN A 45 -1.839 -12.340 8.995 1.00 0.00 N ATOM 753 CA ASN A 45 -0.871 -11.388 9.618 1.00 0.00 C ATOM 754 C ASN A 45 -1.026 -10.012 8.900 1.00 0.00 C ATOM 755 O ASN A 45 -0.498 -9.809 7.801 1.00 0.00 O ATOM 756 CB ASN A 45 0.601 -11.892 9.546 1.00 0.00 C ATOM 757 CG ASN A 45 0.963 -13.228 10.211 1.00 0.00 C ATOM 758 OD1 ASN A 45 0.325 -14.262 10.048 1.00 0.00 O ATOM 759 ND2 ASN A 45 2.061 -13.273 10.923 1.00 0.00 N ATOM 0 H ASN A 45 -1.675 -12.495 8.000 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.098 -11.297 10.680 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.873 -11.964 8.493 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.234 -11.122 9.987 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.370 -14.156 11.329 1.00 0.00 H new ATOM 0 HD22 ASN A 45 2.608 -12.425 11.072 1.00 0.00 H new ATOM 766 N VAL A 46 -1.779 -9.076 9.495 1.00 0.00 N ATOM 767 CA VAL A 46 -2.190 -7.822 8.790 1.00 0.00 C ATOM 768 C VAL A 46 -1.378 -6.631 9.382 1.00 0.00 C ATOM 769 O VAL A 46 -1.605 -6.220 10.524 1.00 0.00 O ATOM 770 CB VAL A 46 -3.742 -7.616 8.831 1.00 0.00 C ATOM 771 CG1 VAL A 46 -4.213 -6.349 8.077 1.00 0.00 C ATOM 772 CG2 VAL A 46 -4.535 -8.811 8.256 1.00 0.00 C ATOM 0 H VAL A 46 -2.120 -9.148 10.453 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.954 -7.892 7.728 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.951 -7.512 9.896 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.298 -6.267 8.145 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.754 -5.468 8.524 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.920 -6.419 7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.603 -8.601 8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.253 -8.967 7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.309 -9.709 8.832 1.00 0.00 H new ATOM 782 N GLN A 47 -0.459 -6.060 8.582 1.00 0.00 N ATOM 783 CA GLN A 47 0.281 -4.823 8.959 1.00 0.00 C ATOM 784 C GLN A 47 -0.572 -3.563 8.629 1.00 0.00 C ATOM 785 O GLN A 47 -0.570 -3.102 7.485 1.00 0.00 O ATOM 786 CB GLN A 47 1.665 -4.800 8.252 1.00 0.00 C ATOM 787 CG GLN A 47 2.721 -5.745 8.880 1.00 0.00 C ATOM 788 CD GLN A 47 4.117 -5.596 8.269 1.00 0.00 C ATOM 789 OE1 GLN A 47 4.856 -4.661 8.560 1.00 0.00 O ATOM 790 NE2 GLN A 47 4.527 -6.501 7.414 1.00 0.00 N ATOM 0 H GLN A 47 -0.205 -6.430 7.666 1.00 0.00 H new ATOM 0 HA GLN A 47 0.461 -4.816 10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.529 -5.072 7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.051 -3.781 8.269 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.780 -5.550 9.951 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.390 -6.777 8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.919 -7.282 7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.454 -6.425 6.996 1.00 0.00 H new ATOM 799 N ILE A 48 -1.268 -2.996 9.635 1.00 0.00 N ATOM 800 CA ILE A 48 -1.899 -1.645 9.510 1.00 0.00 C ATOM 801 C ILE A 48 -0.845 -0.613 10.028 1.00 0.00 C ATOM 802 O ILE A 48 -0.537 -0.558 11.224 1.00 0.00 O ATOM 803 CB ILE A 48 -3.302 -1.515 10.211 1.00 0.00 C ATOM 804 CG1 ILE A 48 -4.340 -2.563 9.700 1.00 0.00 C ATOM 805 CG2 ILE A 48 -3.864 -0.068 10.068 1.00 0.00 C ATOM 806 CD1 ILE A 48 -5.773 -2.465 10.261 1.00 0.00 C ATOM 0 H ILE A 48 -1.413 -3.441 10.542 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.147 -1.451 8.466 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.138 -1.728 11.267 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.396 -2.482 8.614 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.956 -3.558 9.926 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.834 -0.004 10.561 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.175 0.638 10.532 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.977 0.176 9.012 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.389 -3.250 9.824 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.749 -2.584 11.344 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.195 -1.491 10.012 1.00 0.00 H new ATOM 818 N THR A 49 -0.299 0.193 9.106 1.00 0.00 N ATOM 819 CA THR A 49 0.690 1.259 9.423 1.00 0.00 C ATOM 820 C THR A 49 0.097 2.654 9.081 1.00 0.00 C ATOM 821 O THR A 49 -0.596 2.823 8.074 1.00 0.00 O ATOM 822 CB THR A 49 2.020 0.966 8.665 1.00 0.00 C ATOM 823 OG1 THR A 49 2.445 -0.358 8.965 1.00 0.00 O ATOM 824 CG2 THR A 49 3.187 1.915 9.001 1.00 0.00 C ATOM 0 H THR A 49 -0.525 0.132 8.113 1.00 0.00 H new ATOM 0 HA THR A 49 0.914 1.267 10.490 1.00 0.00 H new ATOM 0 HB THR A 49 1.787 1.112 7.610 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.647 -0.833 8.132 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.066 1.629 8.424 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.907 2.939 8.753 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.415 1.849 10.065 1.00 0.00 H new ATOM 832 N ILE A 50 0.425 3.678 9.882 1.00 0.00 N ATOM 833 CA ILE A 50 0.247 5.099 9.465 1.00 0.00 C ATOM 834 C ILE A 50 1.567 5.880 9.753 1.00 0.00 C ATOM 835 O ILE A 50 1.994 5.990 10.908 1.00 0.00 O ATOM 836 CB ILE A 50 -1.085 5.706 10.023 1.00 0.00 C ATOM 837 CG1 ILE A 50 -1.622 6.935 9.239 1.00 0.00 C ATOM 838 CG2 ILE A 50 -1.138 5.956 11.543 1.00 0.00 C ATOM 839 CD1 ILE A 50 -0.812 8.241 9.277 1.00 0.00 C ATOM 0 H ILE A 50 0.813 3.563 10.818 1.00 0.00 H new ATOM 0 HA ILE A 50 0.096 5.184 8.389 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.772 4.880 9.840 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.728 6.641 8.195 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.622 7.155 9.612 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.108 6.377 11.809 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.994 5.014 12.072 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.350 6.654 11.825 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.319 9.001 8.682 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.725 8.585 10.308 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.183 8.064 8.868 1.00 0.00 H new ATOM 851 N SER A 51 2.211 6.422 8.700 1.00 0.00 N ATOM 852 CA SER A 51 3.368 7.349 8.852 1.00 0.00 C ATOM 853 C SER A 51 2.878 8.802 9.147 1.00 0.00 C ATOM 854 O SER A 51 2.529 9.556 8.232 1.00 0.00 O ATOM 855 CB SER A 51 4.236 7.243 7.578 1.00 0.00 C ATOM 856 OG SER A 51 5.395 8.069 7.685 1.00 0.00 O ATOM 0 H SER A 51 1.954 6.238 7.730 1.00 0.00 H new ATOM 0 HA SER A 51 3.982 7.070 9.709 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.536 6.207 7.422 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.651 7.540 6.708 1.00 0.00 H new ATOM 0 HG SER A 51 5.932 7.987 6.869 1.00 0.00 H new ATOM 862 N ALA A 52 2.813 9.164 10.438 1.00 0.00 N ATOM 863 CA ALA A 52 2.158 10.416 10.892 1.00 0.00 C ATOM 864 C ALA A 52 3.084 11.676 10.927 1.00 0.00 C ATOM 865 O ALA A 52 4.318 11.589 10.903 1.00 0.00 O ATOM 866 CB ALA A 52 1.573 10.069 12.279 1.00 0.00 C ATOM 0 H ALA A 52 3.207 8.607 11.196 1.00 0.00 H new ATOM 0 HA ALA A 52 1.395 10.722 10.176 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.068 10.943 12.690 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.859 9.251 12.179 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.378 9.767 12.948 1.00 0.00 H new ATOM 872 N GLU A 53 2.456 12.860 11.032 1.00 0.00 N ATOM 873 CA GLU A 53 3.179 14.166 11.135 1.00 0.00 C ATOM 874 C GLU A 53 3.973 14.400 12.469 1.00 0.00 C ATOM 875 O GLU A 53 5.100 14.898 12.428 1.00 0.00 O ATOM 876 CB GLU A 53 2.160 15.320 10.886 1.00 0.00 C ATOM 877 CG GLU A 53 1.567 15.444 9.456 1.00 0.00 C ATOM 878 CD GLU A 53 2.545 15.912 8.393 1.00 0.00 C ATOM 879 OE1 GLU A 53 3.298 15.079 7.855 1.00 0.00 O ATOM 880 OE2 GLU A 53 2.545 17.108 8.039 1.00 0.00 O ATOM 0 H GLU A 53 1.440 12.952 11.049 1.00 0.00 H new ATOM 0 HA GLU A 53 3.956 14.146 10.370 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.333 15.198 11.586 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.649 16.262 11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.168 14.474 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.727 16.138 9.486 1.00 0.00 H new ATOM 887 N ASN A 54 3.379 14.082 13.636 1.00 0.00 N ATOM 888 CA ASN A 54 4.009 14.299 14.972 1.00 0.00 C ATOM 889 C ASN A 54 3.873 13.035 15.883 1.00 0.00 C ATOM 890 O ASN A 54 3.000 12.180 15.695 1.00 0.00 O ATOM 891 CB ASN A 54 3.365 15.546 15.650 1.00 0.00 C ATOM 892 CG ASN A 54 3.785 16.896 15.061 1.00 0.00 C ATOM 893 OD1 ASN A 54 4.905 17.359 15.237 1.00 0.00 O ATOM 894 ND2 ASN A 54 2.917 17.579 14.354 1.00 0.00 N ATOM 0 H ASN A 54 2.449 13.667 13.689 1.00 0.00 H new ATOM 0 HA ASN A 54 5.075 14.476 14.830 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.281 15.458 15.580 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.618 15.535 16.710 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.179 18.482 13.960 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.980 17.207 14.199 1.00 0.00 H new ATOM 901 N ASP A 55 4.721 12.958 16.921 1.00 0.00 N ATOM 902 CA ASP A 55 4.590 11.959 18.024 1.00 0.00 C ATOM 903 C ASP A 55 3.247 11.986 18.844 1.00 0.00 C ATOM 904 O ASP A 55 2.649 10.929 19.068 1.00 0.00 O ATOM 905 CB ASP A 55 5.866 12.051 18.910 1.00 0.00 C ATOM 906 CG ASP A 55 6.143 13.344 19.695 1.00 0.00 C ATOM 907 OD1 ASP A 55 5.546 14.400 19.384 1.00 0.00 O ATOM 908 OD2 ASP A 55 6.969 13.295 20.630 1.00 0.00 O ATOM 0 H ASP A 55 5.521 13.581 17.031 1.00 0.00 H new ATOM 0 HA ASP A 55 4.518 10.976 17.559 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.826 11.233 19.629 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.726 11.867 18.266 1.00 0.00 H new ATOM 913 N GLU A 56 2.729 13.171 19.224 1.00 0.00 N ATOM 914 CA GLU A 56 1.345 13.322 19.783 1.00 0.00 C ATOM 915 C GLU A 56 0.178 12.869 18.826 1.00 0.00 C ATOM 916 O GLU A 56 -0.743 12.174 19.271 1.00 0.00 O ATOM 917 CB GLU A 56 1.128 14.775 20.293 1.00 0.00 C ATOM 918 CG GLU A 56 2.011 15.220 21.490 1.00 0.00 C ATOM 919 CD GLU A 56 1.617 16.563 22.087 1.00 0.00 C ATOM 920 OE1 GLU A 56 2.049 17.609 21.558 1.00 0.00 O ATOM 921 OE2 GLU A 56 0.883 16.575 23.097 1.00 0.00 O ATOM 0 H GLU A 56 3.242 14.050 19.158 1.00 0.00 H new ATOM 0 HA GLU A 56 1.291 12.623 20.618 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.305 15.459 19.463 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.082 14.885 20.579 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.959 14.459 22.269 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.049 15.271 21.163 1.00 0.00 H new ATOM 928 N GLN A 57 0.249 13.186 17.514 1.00 0.00 N ATOM 929 CA GLN A 57 -0.594 12.528 16.465 1.00 0.00 C ATOM 930 C GLN A 57 -0.446 10.968 16.399 1.00 0.00 C ATOM 931 O GLN A 57 -1.459 10.266 16.450 1.00 0.00 O ATOM 932 CB GLN A 57 -0.326 13.177 15.072 1.00 0.00 C ATOM 933 CG GLN A 57 -0.811 14.637 14.866 1.00 0.00 C ATOM 934 CD GLN A 57 -2.335 14.808 14.799 1.00 0.00 C ATOM 935 OE1 GLN A 57 -3.012 15.009 15.799 1.00 0.00 O ATOM 936 NE2 GLN A 57 -2.927 14.727 13.631 1.00 0.00 N ATOM 0 H GLN A 57 0.882 13.896 17.145 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.629 12.702 16.758 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.748 13.148 14.887 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.798 12.554 14.312 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.427 15.251 15.681 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.376 15.022 13.944 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.375 14.560 12.790 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.939 14.831 13.564 1.00 0.00 H new ATOM 945 N ALA A 58 0.788 10.423 16.349 1.00 0.00 N ATOM 946 CA ALA A 58 1.052 8.971 16.539 1.00 0.00 C ATOM 947 C ALA A 58 0.501 8.277 17.834 1.00 0.00 C ATOM 948 O ALA A 58 0.166 7.095 17.757 1.00 0.00 O ATOM 949 CB ALA A 58 2.571 8.766 16.386 1.00 0.00 C ATOM 0 H ALA A 58 1.631 10.971 16.177 1.00 0.00 H new ATOM 0 HA ALA A 58 0.467 8.459 15.775 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.811 7.711 16.518 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.883 9.087 15.392 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.095 9.354 17.139 1.00 0.00 H new ATOM 955 N LYS A 59 0.354 8.968 18.985 1.00 0.00 N ATOM 956 CA LYS A 59 -0.332 8.423 20.196 1.00 0.00 C ATOM 957 C LYS A 59 -1.853 8.122 19.976 1.00 0.00 C ATOM 958 O LYS A 59 -2.267 6.967 20.121 1.00 0.00 O ATOM 959 CB LYS A 59 -0.010 9.373 21.386 1.00 0.00 C ATOM 960 CG LYS A 59 -0.368 8.874 22.812 1.00 0.00 C ATOM 961 CD LYS A 59 -1.868 8.967 23.211 1.00 0.00 C ATOM 962 CE LYS A 59 -2.556 7.604 23.442 1.00 0.00 C ATOM 963 NZ LYS A 59 -3.991 7.771 23.799 1.00 0.00 N ATOM 0 H LYS A 59 0.704 9.918 19.110 1.00 0.00 H new ATOM 0 HA LYS A 59 0.055 7.432 20.432 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.057 9.592 21.363 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.532 10.315 21.217 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.053 7.834 22.901 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.215 9.447 23.533 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.952 9.561 24.121 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.406 9.503 22.429 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.472 6.996 22.541 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.042 7.066 24.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.406 6.842 24.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.072 8.387 24.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.500 8.201 23.000 1.00 0.00 H new ATOM 977 N GLU A 60 -2.684 9.117 19.613 1.00 0.00 N ATOM 978 CA GLU A 60 -4.098 8.855 19.213 1.00 0.00 C ATOM 979 C GLU A 60 -4.328 8.100 17.868 1.00 0.00 C ATOM 980 O GLU A 60 -5.321 7.379 17.779 1.00 0.00 O ATOM 981 CB GLU A 60 -4.935 10.156 19.324 1.00 0.00 C ATOM 982 CG GLU A 60 -5.425 10.477 20.760 1.00 0.00 C ATOM 983 CD GLU A 60 -6.386 9.456 21.374 1.00 0.00 C ATOM 984 OE1 GLU A 60 -7.573 9.397 20.990 1.00 0.00 O ATOM 985 OE2 GLU A 60 -5.939 8.668 22.233 1.00 0.00 O ATOM 0 H GLU A 60 -2.415 10.100 19.585 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.457 8.122 19.936 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.336 10.992 18.961 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.801 10.075 18.667 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.555 10.567 21.410 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.916 11.450 20.748 1.00 0.00 H new ATOM 992 N LEU A 61 -3.439 8.166 16.862 1.00 0.00 N ATOM 993 CA LEU A 61 -3.440 7.196 15.725 1.00 0.00 C ATOM 994 C LEU A 61 -3.099 5.708 16.107 1.00 0.00 C ATOM 995 O LEU A 61 -3.759 4.794 15.604 1.00 0.00 O ATOM 996 CB LEU A 61 -2.552 7.748 14.582 1.00 0.00 C ATOM 997 CG LEU A 61 -3.087 8.999 13.826 1.00 0.00 C ATOM 998 CD1 LEU A 61 -1.980 9.601 12.950 1.00 0.00 C ATOM 999 CD2 LEU A 61 -4.321 8.698 12.954 1.00 0.00 C ATOM 0 H LEU A 61 -2.708 8.875 16.802 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.471 7.118 15.379 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.575 7.993 14.998 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.398 6.951 13.855 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.397 9.711 14.590 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.366 10.475 12.426 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.139 9.896 13.578 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.648 8.860 12.223 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.645 9.611 12.454 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.064 7.947 12.207 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.128 8.323 13.583 1.00 0.00 H new ATOM 1011 N LEU A 62 -2.143 5.453 17.026 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.988 4.149 17.746 1.00 0.00 C ATOM 1013 C LEU A 62 -3.282 3.586 18.402 1.00 0.00 C ATOM 1014 O LEU A 62 -3.724 2.489 18.045 1.00 0.00 O ATOM 1015 CB LEU A 62 -0.758 4.323 18.690 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.479 3.222 19.747 1.00 0.00 C ATOM 1017 CD1 LEU A 62 1.012 2.859 19.783 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -0.930 3.625 21.165 1.00 0.00 C ATOM 0 H LEU A 62 -1.446 6.146 17.299 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.798 3.343 17.037 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.130 4.416 18.065 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.876 5.269 19.219 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.066 2.357 19.439 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.180 2.085 20.532 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.320 2.490 18.805 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.596 3.744 20.038 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.709 2.816 21.861 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.398 4.525 21.474 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.002 3.820 21.164 1.00 0.00 H new ATOM 1030 N GLU A 63 -3.899 4.354 19.306 1.00 0.00 N ATOM 1031 CA GLU A 63 -5.240 4.029 19.839 1.00 0.00 C ATOM 1032 C GLU A 63 -6.389 3.967 18.774 1.00 0.00 C ATOM 1033 O GLU A 63 -7.136 2.993 18.808 1.00 0.00 O ATOM 1034 CB GLU A 63 -5.548 4.913 21.075 1.00 0.00 C ATOM 1035 CG GLU A 63 -5.270 4.222 22.436 1.00 0.00 C ATOM 1036 CD GLU A 63 -5.884 4.913 23.638 1.00 0.00 C ATOM 1037 OE1 GLU A 63 -7.127 4.875 23.792 1.00 0.00 O ATOM 1038 OE2 GLU A 63 -5.129 5.529 24.418 1.00 0.00 O ATOM 0 H GLU A 63 -3.495 5.209 19.689 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.206 2.992 20.174 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.952 5.824 21.014 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.595 5.214 21.040 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.645 3.200 22.392 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.192 4.160 22.582 1.00 0.00 H new ATOM 1045 N LEU A 64 -6.530 4.896 17.806 1.00 0.00 N ATOM 1046 CA LEU A 64 -7.488 4.747 16.659 1.00 0.00 C ATOM 1047 C LEU A 64 -7.379 3.414 15.843 1.00 0.00 C ATOM 1048 O LEU A 64 -8.404 2.766 15.606 1.00 0.00 O ATOM 1049 CB LEU A 64 -7.417 6.009 15.756 1.00 0.00 C ATOM 1050 CG LEU A 64 -8.523 6.171 14.675 1.00 0.00 C ATOM 1051 CD1 LEU A 64 -9.914 6.446 15.276 1.00 0.00 C ATOM 1052 CD2 LEU A 64 -8.156 7.309 13.709 1.00 0.00 C ATOM 0 H LEU A 64 -5.996 5.765 17.784 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.480 4.667 17.105 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.443 6.888 16.400 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.450 6.011 15.253 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.578 5.222 14.142 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.643 6.550 14.473 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.201 5.617 15.922 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.883 7.367 15.859 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.937 7.414 12.956 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.061 8.242 14.265 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.209 7.080 13.220 1.00 0.00 H new ATOM 1064 N ILE A 65 -6.159 2.976 15.475 1.00 0.00 N ATOM 1065 CA ILE A 65 -5.929 1.610 14.917 1.00 0.00 C ATOM 1066 C ILE A 65 -6.248 0.484 15.977 1.00 0.00 C ATOM 1067 O ILE A 65 -7.065 -0.381 15.662 1.00 0.00 O ATOM 1068 CB ILE A 65 -4.525 1.492 14.220 1.00 0.00 C ATOM 1069 CG1 ILE A 65 -4.269 2.520 13.074 1.00 0.00 C ATOM 1070 CG2 ILE A 65 -4.316 0.066 13.644 1.00 0.00 C ATOM 1071 CD1 ILE A 65 -2.786 2.699 12.693 1.00 0.00 C ATOM 0 H ILE A 65 -5.313 3.540 15.550 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.646 1.441 14.114 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.812 1.714 15.014 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.822 2.204 12.190 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.673 3.487 13.374 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.338 0.006 13.166 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.370 -0.664 14.451 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.092 -0.147 12.909 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.703 3.431 11.890 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.227 3.048 13.561 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.379 1.745 12.358 1.00 0.00 H new ATOM 1083 N ALA A 66 -5.682 0.472 17.208 1.00 0.00 N ATOM 1084 CA ALA A 66 -6.075 -0.515 18.263 1.00 0.00 C ATOM 1085 C ALA A 66 -7.611 -0.623 18.608 1.00 0.00 C ATOM 1086 O ALA A 66 -8.149 -1.733 18.635 1.00 0.00 O ATOM 1087 CB ALA A 66 -5.215 -0.226 19.509 1.00 0.00 C ATOM 0 H ALA A 66 -4.956 1.126 17.501 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.880 -1.506 17.853 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.475 -0.928 20.301 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.160 -0.337 19.257 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.401 0.792 19.851 1.00 0.00 H new ATOM 1093 N ARG A 67 -8.319 0.516 18.782 1.00 0.00 N ATOM 1094 CA ARG A 67 -9.816 0.603 18.821 1.00 0.00 C ATOM 1095 C ARG A 67 -10.565 -0.079 17.613 1.00 0.00 C ATOM 1096 O ARG A 67 -11.507 -0.845 17.837 1.00 0.00 O ATOM 1097 CB ARG A 67 -10.216 2.111 18.948 1.00 0.00 C ATOM 1098 CG ARG A 67 -9.843 2.867 20.264 1.00 0.00 C ATOM 1099 CD ARG A 67 -9.837 4.408 20.098 1.00 0.00 C ATOM 1100 NE ARG A 67 -9.324 5.124 21.306 1.00 0.00 N ATOM 1101 CZ ARG A 67 -8.891 6.392 21.323 1.00 0.00 C ATOM 1102 NH1 ARG A 67 -9.000 7.220 20.319 1.00 0.00 N ATOM 1103 NH2 ARG A 67 -8.284 6.835 22.382 1.00 0.00 N ATOM 0 H ARG A 67 -7.868 1.423 18.902 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.142 0.027 19.687 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.760 2.647 18.116 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -11.296 2.181 18.819 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.552 2.594 21.046 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.858 2.539 20.598 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.223 4.673 19.237 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.850 4.749 19.883 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.302 4.607 22.185 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.438 6.914 19.450 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.647 8.173 20.403 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.143 6.220 23.184 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.948 7.798 22.412 1.00 0.00 H new ATOM 1117 N LEU A 68 -10.134 0.155 16.353 1.00 0.00 N ATOM 1118 CA LEU A 68 -10.579 -0.636 15.166 1.00 0.00 C ATOM 1119 C LEU A 68 -10.307 -2.184 15.260 1.00 0.00 C ATOM 1120 O LEU A 68 -11.236 -2.983 15.133 1.00 0.00 O ATOM 1121 CB LEU A 68 -9.895 0.017 13.926 1.00 0.00 C ATOM 1122 CG LEU A 68 -10.450 -0.405 12.540 1.00 0.00 C ATOM 1123 CD1 LEU A 68 -11.723 0.380 12.184 1.00 0.00 C ATOM 1124 CD2 LEU A 68 -9.393 -0.191 11.446 1.00 0.00 C ATOM 0 H LEU A 68 -9.470 0.894 16.123 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.666 -0.594 15.096 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.983 1.100 14.016 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.831 -0.220 13.956 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.700 -1.464 12.598 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.086 0.061 11.207 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.489 0.191 12.936 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.497 1.446 12.156 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.801 -0.493 10.482 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.116 0.862 11.409 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.511 -0.791 11.670 1.00 0.00 H new ATOM 1136 N LEU A 69 -9.048 -2.589 15.501 1.00 0.00 N ATOM 1137 CA LEU A 69 -8.615 -4.014 15.657 1.00 0.00 C ATOM 1138 C LEU A 69 -9.327 -4.857 16.769 1.00 0.00 C ATOM 1139 O LEU A 69 -9.678 -6.018 16.532 1.00 0.00 O ATOM 1140 CB LEU A 69 -7.083 -3.981 15.898 1.00 0.00 C ATOM 1141 CG LEU A 69 -6.191 -3.383 14.775 1.00 0.00 C ATOM 1142 CD1 LEU A 69 -4.772 -3.167 15.320 1.00 0.00 C ATOM 1143 CD2 LEU A 69 -6.230 -4.229 13.494 1.00 0.00 C ATOM 0 H LEU A 69 -8.276 -1.930 15.597 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.907 -4.535 14.745 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.899 -3.415 16.811 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.750 -5.002 16.084 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.588 -2.412 14.478 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.141 -2.747 14.536 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.807 -2.479 16.165 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.359 -4.121 15.647 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.592 -3.773 12.737 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.872 -5.235 13.712 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.254 -4.280 13.123 1.00 0.00 H new ATOM 1155 N GLN A 70 -9.571 -4.270 17.956 1.00 0.00 N ATOM 1156 CA GLN A 70 -10.505 -4.831 18.975 1.00 0.00 C ATOM 1157 C GLN A 70 -11.989 -5.014 18.487 1.00 0.00 C ATOM 1158 O GLN A 70 -12.588 -6.052 18.774 1.00 0.00 O ATOM 1159 CB GLN A 70 -10.431 -3.948 20.253 1.00 0.00 C ATOM 1160 CG GLN A 70 -9.078 -3.971 21.016 1.00 0.00 C ATOM 1161 CD GLN A 70 -9.015 -2.996 22.199 1.00 0.00 C ATOM 1162 OE1 GLN A 70 -9.085 -1.781 22.049 1.00 0.00 O ATOM 1163 NE2 GLN A 70 -8.862 -3.484 23.406 1.00 0.00 N ATOM 0 H GLN A 70 -9.132 -3.395 18.244 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.173 -5.848 19.186 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.650 -2.918 19.973 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.217 -4.266 20.937 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.895 -4.982 21.381 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.275 -3.733 20.319 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.802 -4.493 23.544 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.803 -2.855 24.207 1.00 0.00 H new ATOM 1172 N LYS A 71 -12.561 -4.058 17.721 1.00 0.00 N ATOM 1173 CA LYS A 71 -13.860 -4.248 17.006 1.00 0.00 C ATOM 1174 C LYS A 71 -13.878 -5.375 15.911 1.00 0.00 C ATOM 1175 O LYS A 71 -14.868 -6.109 15.841 1.00 0.00 O ATOM 1176 CB LYS A 71 -14.339 -2.863 16.472 1.00 0.00 C ATOM 1177 CG LYS A 71 -15.874 -2.697 16.274 1.00 0.00 C ATOM 1178 CD LYS A 71 -16.397 -2.623 14.821 1.00 0.00 C ATOM 1179 CE LYS A 71 -16.448 -3.971 14.078 1.00 0.00 C ATOM 1180 NZ LYS A 71 -17.145 -3.804 12.775 1.00 0.00 N ATOM 0 H LYS A 71 -12.146 -3.138 17.577 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.574 -4.634 17.733 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.997 -2.092 17.163 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.848 -2.675 15.517 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.370 -3.532 16.769 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.185 -1.789 16.791 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.399 -2.194 14.833 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.763 -1.938 14.257 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.437 -4.345 13.914 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.967 -4.712 14.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.802 -4.520 12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -18.169 -3.920 12.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.952 -2.855 12.397 1.00 0.00 H new ATOM 1194 N LEU A 72 -12.824 -5.550 15.079 1.00 0.00 N ATOM 1195 CA LEU A 72 -12.640 -6.786 14.247 1.00 0.00 C ATOM 1196 C LEU A 72 -12.604 -8.152 15.034 1.00 0.00 C ATOM 1197 O LEU A 72 -13.152 -9.143 14.547 1.00 0.00 O ATOM 1198 CB LEU A 72 -11.343 -6.688 13.375 1.00 0.00 C ATOM 1199 CG LEU A 72 -11.283 -5.850 12.071 1.00 0.00 C ATOM 1200 CD1 LEU A 72 -12.406 -6.165 11.069 1.00 0.00 C ATOM 1201 CD2 LEU A 72 -11.176 -4.342 12.314 1.00 0.00 C ATOM 0 H LEU A 72 -12.084 -4.858 14.959 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.541 -6.810 13.633 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.556 -6.309 14.027 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.070 -7.708 13.104 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.350 -6.170 11.607 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.292 -5.537 10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.350 -7.214 10.778 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.373 -5.968 11.532 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.139 -3.821 11.357 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.044 -4.002 12.879 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.269 -4.128 12.879 1.00 0.00 H new ATOM 1213 N GLY A 73 -11.917 -8.216 16.190 1.00 0.00 N ATOM 1214 CA GLY A 73 -11.665 -9.490 16.927 1.00 0.00 C ATOM 1215 C GLY A 73 -10.280 -10.155 16.727 1.00 0.00 C ATOM 1216 O GLY A 73 -10.190 -11.385 16.686 1.00 0.00 O ATOM 0 H GLY A 73 -11.518 -7.395 16.646 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.798 -9.298 17.992 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.431 -10.208 16.635 1.00 0.00 H new ATOM 1220 N TYR A 74 -9.206 -9.354 16.663 1.00 0.00 N ATOM 1221 CA TYR A 74 -7.809 -9.856 16.555 1.00 0.00 C ATOM 1222 C TYR A 74 -7.137 -9.998 17.962 1.00 0.00 C ATOM 1223 O TYR A 74 -7.411 -9.233 18.894 1.00 0.00 O ATOM 1224 CB TYR A 74 -7.031 -8.901 15.601 1.00 0.00 C ATOM 1225 CG TYR A 74 -7.112 -9.267 14.103 1.00 0.00 C ATOM 1226 CD1 TYR A 74 -6.217 -10.212 13.588 1.00 0.00 C ATOM 1227 CD2 TYR A 74 -8.025 -8.654 13.242 1.00 0.00 C ATOM 1228 CE1 TYR A 74 -6.235 -10.537 12.233 1.00 0.00 C ATOM 1229 CE2 TYR A 74 -8.057 -8.996 11.887 1.00 0.00 C ATOM 1230 CZ TYR A 74 -7.164 -9.947 11.388 1.00 0.00 C ATOM 1231 OH TYR A 74 -7.216 -10.318 10.067 1.00 0.00 O ATOM 0 H TYR A 74 -9.271 -8.336 16.684 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.797 -10.862 16.135 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.413 -7.889 15.733 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.983 -8.888 15.900 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.508 -10.693 14.245 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.710 -7.912 13.625 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.525 -11.249 11.840 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.771 -8.526 11.227 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.035 -11.278 9.989 1.00 0.00 H new ATOM 1241 N LYS A 75 -6.262 -11.008 18.115 1.00 0.00 N ATOM 1242 CA LYS A 75 -5.715 -11.414 19.446 1.00 0.00 C ATOM 1243 C LYS A 75 -4.236 -10.975 19.702 1.00 0.00 C ATOM 1244 O LYS A 75 -3.973 -10.379 20.751 1.00 0.00 O ATOM 1245 CB LYS A 75 -5.941 -12.939 19.653 1.00 0.00 C ATOM 1246 CG LYS A 75 -7.423 -13.362 19.829 1.00 0.00 C ATOM 1247 CD LYS A 75 -7.570 -14.859 20.163 1.00 0.00 C ATOM 1248 CE LYS A 75 -9.046 -15.292 20.242 1.00 0.00 C ATOM 1249 NZ LYS A 75 -9.104 -16.767 20.425 1.00 0.00 N ATOM 0 H LYS A 75 -5.910 -11.567 17.338 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.272 -10.866 20.206 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.525 -13.472 18.798 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.380 -13.259 20.531 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.876 -12.769 20.624 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.972 -13.141 18.914 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.059 -15.451 19.404 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.080 -15.068 21.114 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.543 -14.789 21.072 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.573 -15.004 19.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.097 -17.071 20.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.642 -17.235 19.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.613 -17.027 21.304 1.00 0.00 H new ATOM 1263 N ASP A 76 -3.277 -11.252 18.793 1.00 0.00 N ATOM 1264 CA ASP A 76 -1.874 -10.759 18.932 1.00 0.00 C ATOM 1265 C ASP A 76 -1.782 -9.339 18.300 1.00 0.00 C ATOM 1266 O ASP A 76 -1.592 -9.194 17.089 1.00 0.00 O ATOM 1267 CB ASP A 76 -0.939 -11.814 18.281 1.00 0.00 C ATOM 1268 CG ASP A 76 0.579 -11.583 18.271 1.00 0.00 C ATOM 1269 OD1 ASP A 76 1.089 -10.578 18.813 1.00 0.00 O ATOM 1270 OD2 ASP A 76 1.283 -12.431 17.679 1.00 0.00 O ATOM 0 H ASP A 76 -3.439 -11.811 17.956 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.560 -10.649 19.970 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.120 -12.764 18.784 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.257 -11.936 17.245 1.00 0.00 H new ATOM 1275 N ILE A 77 -1.952 -8.293 19.127 1.00 0.00 N ATOM 1276 CA ILE A 77 -1.887 -6.875 18.661 1.00 0.00 C ATOM 1277 C ILE A 77 -0.392 -6.416 18.759 1.00 0.00 C ATOM 1278 O ILE A 77 0.047 -5.886 19.787 1.00 0.00 O ATOM 1279 CB ILE A 77 -2.903 -5.964 19.447 1.00 0.00 C ATOM 1280 CG1 ILE A 77 -4.373 -6.477 19.565 1.00 0.00 C ATOM 1281 CG2 ILE A 77 -2.918 -4.504 18.927 1.00 0.00 C ATOM 1282 CD1 ILE A 77 -5.155 -6.707 18.258 1.00 0.00 C ATOM 0 H ILE A 77 -2.136 -8.391 20.125 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.203 -6.783 17.622 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.496 -6.011 20.457 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.358 -7.417 20.117 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.931 -5.762 20.169 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.635 -3.920 19.503 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.925 -4.069 19.036 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.205 -4.495 17.875 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.159 -7.062 18.492 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.221 -5.771 17.704 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.639 -7.451 17.652 1.00 0.00 H new ATOM 1294 N ASN A 78 0.407 -6.665 17.704 1.00 0.00 N ATOM 1295 CA ASN A 78 1.891 -6.622 17.808 1.00 0.00 C ATOM 1296 C ASN A 78 2.436 -5.213 17.391 1.00 0.00 C ATOM 1297 O ASN A 78 2.738 -4.946 16.222 1.00 0.00 O ATOM 1298 CB ASN A 78 2.439 -7.836 17.002 1.00 0.00 C ATOM 1299 CG ASN A 78 3.741 -8.422 17.545 1.00 0.00 C ATOM 1300 OD1 ASN A 78 4.841 -8.021 17.173 1.00 0.00 O ATOM 1301 ND2 ASN A 78 3.663 -9.400 18.418 1.00 0.00 N ATOM 0 H ASN A 78 0.060 -6.897 16.773 1.00 0.00 H new ATOM 0 HA ASN A 78 2.248 -6.730 18.832 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.681 -8.619 16.989 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.597 -7.528 15.968 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.514 -9.825 18.785 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.751 -9.735 18.729 1.00 0.00 H new ATOM 1308 N VAL A 79 2.508 -4.298 18.377 1.00 0.00 N ATOM 1309 CA VAL A 79 2.676 -2.832 18.133 1.00 0.00 C ATOM 1310 C VAL A 79 4.185 -2.449 17.959 1.00 0.00 C ATOM 1311 O VAL A 79 4.995 -2.654 18.869 1.00 0.00 O ATOM 1312 CB VAL A 79 1.981 -2.029 19.293 1.00 0.00 C ATOM 1313 CG1 VAL A 79 2.125 -0.494 19.169 1.00 0.00 C ATOM 1314 CG2 VAL A 79 0.464 -2.299 19.453 1.00 0.00 C ATOM 0 H VAL A 79 2.453 -4.542 19.366 1.00 0.00 H new ATOM 0 HA VAL A 79 2.190 -2.565 17.195 1.00 0.00 H new ATOM 0 HB VAL A 79 2.522 -2.403 20.162 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.619 -0.012 20.006 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.181 -0.226 19.180 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.676 -0.161 18.233 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.073 -1.702 20.277 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.053 -2.029 18.532 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.303 -3.356 19.663 1.00 0.00 H new ATOM 1324 N ARG A 80 4.548 -1.851 16.808 1.00 0.00 N ATOM 1325 CA ARG A 80 5.958 -1.474 16.499 1.00 0.00 C ATOM 1326 C ARG A 80 5.997 0.024 16.067 1.00 0.00 C ATOM 1327 O ARG A 80 5.695 0.357 14.917 1.00 0.00 O ATOM 1328 CB ARG A 80 6.530 -2.410 15.391 1.00 0.00 C ATOM 1329 CG ARG A 80 6.522 -3.923 15.719 1.00 0.00 C ATOM 1330 CD ARG A 80 6.919 -4.799 14.521 1.00 0.00 C ATOM 1331 NE ARG A 80 6.529 -6.197 14.848 1.00 0.00 N ATOM 1332 CZ ARG A 80 5.989 -7.058 13.994 1.00 0.00 C ATOM 1333 NH1 ARG A 80 5.935 -6.899 12.698 1.00 0.00 N ATOM 1334 NH2 ARG A 80 5.464 -8.139 14.465 1.00 0.00 N ATOM 0 H ARG A 80 3.887 -1.614 16.068 1.00 0.00 H new ATOM 0 HA ARG A 80 6.584 -1.596 17.383 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.957 -2.252 14.477 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.556 -2.108 15.180 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.208 -4.114 16.545 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.527 -4.210 16.058 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.416 -4.462 13.615 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.991 -4.732 14.335 1.00 0.00 H new ATOM 0 HE ARG A 80 6.689 -6.519 15.803 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.328 -6.060 12.270 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.500 -7.613 12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.471 -8.314 15.470 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.042 -8.819 13.832 1.00 0.00 H new ATOM 1348 N VAL A 81 6.365 0.940 16.983 1.00 0.00 N ATOM 1349 CA VAL A 81 6.394 2.406 16.680 1.00 0.00 C ATOM 1350 C VAL A 81 7.824 2.787 16.166 1.00 0.00 C ATOM 1351 O VAL A 81 8.766 2.907 16.955 1.00 0.00 O ATOM 1352 CB VAL A 81 5.878 3.267 17.885 1.00 0.00 C ATOM 1353 CG1 VAL A 81 5.899 4.790 17.596 1.00 0.00 C ATOM 1354 CG2 VAL A 81 4.428 2.923 18.309 1.00 0.00 C ATOM 0 H VAL A 81 6.646 0.706 17.935 1.00 0.00 H new ATOM 0 HA VAL A 81 5.691 2.639 15.880 1.00 0.00 H new ATOM 0 HB VAL A 81 6.575 3.019 18.685 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.531 5.331 18.468 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.920 5.105 17.378 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.262 5.006 16.739 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.134 3.555 19.147 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.753 3.095 17.471 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.375 1.876 18.608 1.00 0.00 H new ATOM 1364 N ASN A 82 7.973 2.983 14.842 1.00 0.00 N ATOM 1365 CA ASN A 82 9.268 3.401 14.226 1.00 0.00 C ATOM 1366 C ASN A 82 9.257 4.943 13.953 1.00 0.00 C ATOM 1367 O ASN A 82 8.943 5.405 12.851 1.00 0.00 O ATOM 1368 CB ASN A 82 9.521 2.480 12.997 1.00 0.00 C ATOM 1369 CG ASN A 82 10.889 2.654 12.329 1.00 0.00 C ATOM 1370 OD1 ASN A 82 11.932 2.589 12.972 1.00 0.00 O ATOM 1371 ND2 ASN A 82 10.953 2.857 11.034 1.00 0.00 N ATOM 0 H ASN A 82 7.217 2.861 14.169 1.00 0.00 H new ATOM 0 HA ASN A 82 10.123 3.265 14.889 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.417 1.442 13.312 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.745 2.668 12.255 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.860 2.958 10.578 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.096 2.914 10.484 1.00 0.00 H new ATOM 1378 N GLY A 83 9.564 5.743 14.994 1.00 0.00 N ATOM 1379 CA GLY A 83 9.417 7.225 14.948 1.00 0.00 C ATOM 1380 C GLY A 83 7.951 7.707 14.958 1.00 0.00 C ATOM 1381 O GLY A 83 7.283 7.649 15.992 1.00 0.00 O ATOM 0 H GLY A 83 9.918 5.392 15.884 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.938 7.659 15.801 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.907 7.602 14.050 1.00 0.00 H new ATOM 1385 N THR A 84 7.464 8.142 13.788 1.00 0.00 N ATOM 1386 CA THR A 84 6.001 8.378 13.556 1.00 0.00 C ATOM 1387 C THR A 84 5.270 7.275 12.697 1.00 0.00 C ATOM 1388 O THR A 84 4.049 7.372 12.538 1.00 0.00 O ATOM 1389 CB THR A 84 5.723 9.814 13.014 1.00 0.00 C ATOM 1390 OG1 THR A 84 6.160 9.974 11.668 1.00 0.00 O ATOM 1391 CG2 THR A 84 6.293 10.984 13.832 1.00 0.00 C ATOM 0 H THR A 84 8.049 8.343 12.977 1.00 0.00 H new ATOM 0 HA THR A 84 5.553 8.292 14.546 1.00 0.00 H new ATOM 0 HB THR A 84 4.638 9.874 13.097 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.413 10.287 11.116 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.031 11.926 13.351 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.875 10.962 14.838 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.378 10.894 13.888 1.00 0.00 H new ATOM 1399 N GLU A 85 5.946 6.208 12.198 1.00 0.00 N ATOM 1400 CA GLU A 85 5.276 4.969 11.708 1.00 0.00 C ATOM 1401 C GLU A 85 4.596 4.192 12.879 1.00 0.00 C ATOM 1402 O GLU A 85 5.268 3.620 13.746 1.00 0.00 O ATOM 1403 CB GLU A 85 6.288 3.995 11.046 1.00 0.00 C ATOM 1404 CG GLU A 85 6.741 4.247 9.592 1.00 0.00 C ATOM 1405 CD GLU A 85 7.514 3.043 9.060 1.00 0.00 C ATOM 1406 OE1 GLU A 85 8.731 2.939 9.312 1.00 0.00 O ATOM 1407 OE2 GLU A 85 6.886 2.153 8.442 1.00 0.00 O ATOM 0 H GLU A 85 6.963 6.179 12.123 1.00 0.00 H new ATOM 0 HA GLU A 85 4.534 5.297 10.980 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.182 3.979 11.669 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.854 2.996 11.085 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.872 4.437 8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.368 5.138 9.549 1.00 0.00 H new ATOM 1414 N VAL A 86 3.264 4.107 12.848 1.00 0.00 N ATOM 1415 CA VAL A 86 2.490 3.289 13.829 1.00 0.00 C ATOM 1416 C VAL A 86 2.242 1.868 13.209 1.00 0.00 C ATOM 1417 O VAL A 86 1.137 1.563 12.756 1.00 0.00 O ATOM 1418 CB VAL A 86 1.200 4.096 14.201 1.00 0.00 C ATOM 1419 CG1 VAL A 86 0.236 3.336 15.127 1.00 0.00 C ATOM 1420 CG2 VAL A 86 1.448 5.470 14.873 1.00 0.00 C ATOM 0 H VAL A 86 2.685 4.589 12.160 1.00 0.00 H new ATOM 0 HA VAL A 86 3.022 3.108 14.763 1.00 0.00 H new ATOM 0 HB VAL A 86 0.760 4.247 13.215 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.632 3.960 15.339 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.088 2.417 14.639 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.744 3.092 16.060 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.492 5.947 15.090 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.001 5.326 15.801 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.026 6.105 14.201 1.00 0.00 H new ATOM 1430 N LYS A 87 3.270 0.999 13.166 1.00 0.00 N ATOM 1431 CA LYS A 87 3.220 -0.282 12.403 1.00 0.00 C ATOM 1432 C LYS A 87 2.703 -1.451 13.297 1.00 0.00 C ATOM 1433 O LYS A 87 3.462 -2.060 14.058 1.00 0.00 O ATOM 1434 CB LYS A 87 4.627 -0.477 11.766 1.00 0.00 C ATOM 1435 CG LYS A 87 4.860 -1.781 10.960 1.00 0.00 C ATOM 1436 CD LYS A 87 6.080 -1.680 10.011 1.00 0.00 C ATOM 1437 CE LYS A 87 5.705 -1.203 8.590 1.00 0.00 C ATOM 1438 NZ LYS A 87 6.792 -0.395 7.969 1.00 0.00 N ATOM 0 H LYS A 87 4.154 1.154 13.651 1.00 0.00 H new ATOM 0 HA LYS A 87 2.492 -0.263 11.592 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.820 0.368 11.106 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.369 -0.435 12.564 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.009 -2.610 11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.968 -2.009 10.377 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.809 -0.991 10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.563 -2.655 9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.491 -2.068 7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.792 -0.609 8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.529 -0.152 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.933 0.478 8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.674 -0.946 7.963 1.00 0.00 H new ATOM 1452 N ILE A 88 1.398 -1.758 13.202 1.00 0.00 N ATOM 1453 CA ILE A 88 0.740 -2.777 14.076 1.00 0.00 C ATOM 1454 C ILE A 88 0.467 -4.047 13.198 1.00 0.00 C ATOM 1455 O ILE A 88 -0.441 -4.047 12.358 1.00 0.00 O ATOM 1456 CB ILE A 88 -0.521 -2.160 14.797 1.00 0.00 C ATOM 1457 CG1 ILE A 88 -0.190 -0.894 15.653 1.00 0.00 C ATOM 1458 CG2 ILE A 88 -1.237 -3.201 15.703 1.00 0.00 C ATOM 1459 CD1 ILE A 88 -1.389 -0.076 16.160 1.00 0.00 C ATOM 0 H ILE A 88 0.767 -1.321 12.531 1.00 0.00 H new ATOM 0 HA ILE A 88 1.379 -3.092 14.901 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.184 -1.858 13.986 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.397 -1.209 16.516 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.445 -0.237 15.059 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.099 -2.736 16.181 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.569 -4.044 15.097 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.545 -3.554 16.468 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.030 0.775 16.740 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.970 0.283 15.310 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.018 -0.705 16.790 1.00 0.00 H new ATOM 1471 N GLU A 89 1.254 -5.127 13.404 1.00 0.00 N ATOM 1472 CA GLU A 89 0.980 -6.456 12.784 1.00 0.00 C ATOM 1473 C GLU A 89 -0.030 -7.248 13.671 1.00 0.00 C ATOM 1474 O GLU A 89 0.316 -7.687 14.774 1.00 0.00 O ATOM 1475 CB GLU A 89 2.313 -7.237 12.603 1.00 0.00 C ATOM 1476 CG GLU A 89 2.196 -8.573 11.803 1.00 0.00 C ATOM 1477 CD GLU A 89 3.330 -9.581 11.957 1.00 0.00 C ATOM 1478 OE1 GLU A 89 4.493 -9.191 12.186 1.00 0.00 O ATOM 1479 OE2 GLU A 89 3.058 -10.799 11.901 1.00 0.00 O ATOM 0 H GLU A 89 2.086 -5.111 13.994 1.00 0.00 H new ATOM 0 HA GLU A 89 0.534 -6.321 11.799 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.029 -6.590 12.096 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.724 -7.457 13.588 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.267 -9.062 12.097 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.105 -8.326 10.745 1.00 0.00 H new ATOM 1486 N VAL A 90 -1.268 -7.449 13.196 1.00 0.00 N ATOM 1487 CA VAL A 90 -2.290 -8.231 13.957 1.00 0.00 C ATOM 1488 C VAL A 90 -2.379 -9.717 13.511 1.00 0.00 C ATOM 1489 O VAL A 90 -2.393 -10.015 12.312 1.00 0.00 O ATOM 1490 CB VAL A 90 -3.700 -7.581 13.998 1.00 0.00 C ATOM 1491 CG1 VAL A 90 -3.728 -6.293 14.822 1.00 0.00 C ATOM 1492 CG2 VAL A 90 -4.389 -7.347 12.641 1.00 0.00 C ATOM 0 H VAL A 90 -1.597 -7.091 12.299 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.916 -8.212 14.981 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.292 -8.352 14.492 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.737 -5.880 14.818 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.429 -6.511 15.847 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.038 -5.569 14.389 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.365 -6.889 12.803 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.774 -6.686 12.030 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.516 -8.300 12.128 1.00 0.00 H new ATOM 1502 N ARG A 91 -2.497 -10.636 14.490 1.00 0.00 N ATOM 1503 CA ARG A 91 -2.606 -12.101 14.213 1.00 0.00 C ATOM 1504 C ARG A 91 -3.843 -12.712 14.956 1.00 0.00 C ATOM 1505 O ARG A 91 -4.154 -12.352 16.099 1.00 0.00 O ATOM 1506 CB ARG A 91 -1.284 -12.880 14.497 1.00 0.00 C ATOM 1507 CG ARG A 91 0.044 -12.169 14.126 1.00 0.00 C ATOM 1508 CD ARG A 91 1.292 -13.007 14.427 1.00 0.00 C ATOM 1509 NE ARG A 91 2.500 -12.189 14.129 1.00 0.00 N ATOM 1510 CZ ARG A 91 3.518 -11.960 14.949 1.00 0.00 C ATOM 1511 NH1 ARG A 91 3.521 -12.230 16.232 1.00 0.00 N ATOM 1512 NH2 ARG A 91 4.575 -11.414 14.427 1.00 0.00 N ATOM 0 H ARG A 91 -2.520 -10.400 15.482 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.772 -12.217 13.142 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.254 -13.121 15.560 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.325 -13.826 13.956 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.030 -11.921 13.065 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.108 -11.228 14.672 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.295 -13.319 15.472 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.292 -13.915 13.824 1.00 0.00 H new ATOM 0 HE ARG A 91 2.550 -11.763 13.204 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.698 -12.647 16.667 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.346 -12.023 16.795 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.592 -11.184 13.433 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.388 -11.215 15.011 1.00 0.00 H new ATOM 1526 N VAL A 92 -4.574 -13.635 14.296 1.00 0.00 N ATOM 1527 CA VAL A 92 -5.882 -14.159 14.805 1.00 0.00 C ATOM 1528 C VAL A 92 -5.618 -15.146 15.970 1.00 0.00 C ATOM 1529 O VAL A 92 -6.377 -15.201 16.940 1.00 0.00 O ATOM 1530 CB VAL A 92 -6.739 -14.820 13.665 1.00 0.00 C ATOM 1531 CG1 VAL A 92 -8.147 -15.260 14.143 1.00 0.00 C ATOM 1532 CG2 VAL A 92 -6.982 -13.929 12.423 1.00 0.00 C ATOM 0 H VAL A 92 -4.288 -14.041 13.405 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.472 -13.321 15.176 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.118 -15.672 13.389 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.690 -15.709 13.311 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.047 -15.989 14.947 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.695 -14.391 14.508 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.582 -14.475 11.695 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.510 -13.024 12.722 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.025 -13.660 11.975 1.00 0.00 H new