USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 623 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 53 GLN : amide:sc= -0.0123 X(o=-0.27,f=-0.38) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -166:sc= -0.255 (180deg=-0.383) USER MOD Set 2.1: A 25 TYR OH : rot 14:sc= 0.398 USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 57 THR OG1 : rot -78:sc= 0.131 USER MOD Set 2.4: A 64 SER OG : rot 180:sc= -3! USER MOD Single : A 1 MET CE :methyl -168:sc= -3.46 (180deg=-4.34!) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.02 (180deg=-0.5) USER MOD Single : A 4 LYS NZ :NH3+ -149:sc= -0.0103 (180deg=-0.135) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.53 K(o=-1.5,f=-11!) USER MOD Single : A 15 ASN : amide:sc= -2.09! C(o=-2.1!,f=-2.4!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.145 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -4.08! C(o=-4.1!,f=-6.1!) USER MOD Single : A 37 ASN : amide:sc= -0.0232 X(o=-0.023,f=-0.18) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 170:sc= -0.43 (180deg=-0.627) USER MOD Single : A 44 ASN : amide:sc= -0.824 K(o=-0.82,f=-0.016) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -113:sc= -2.1 (180deg=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.312 -10.202 8.874 1.00 0.00 N ATOM 2 CA MET A 1 -10.883 -10.464 8.844 1.00 0.00 C ATOM 3 C MET A 1 -10.230 -10.092 10.177 1.00 0.00 C ATOM 4 O MET A 1 -10.905 -9.629 11.095 1.00 0.00 O ATOM 5 CB MET A 1 -10.239 -9.656 7.716 1.00 0.00 C ATOM 6 CG MET A 1 -10.312 -8.155 8.006 1.00 0.00 C ATOM 7 SD MET A 1 -10.798 -7.272 6.533 1.00 0.00 S ATOM 8 CE MET A 1 -12.113 -6.264 7.197 1.00 0.00 C ATOM 0 H1 MET A 1 -12.831 -11.098 8.775 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.564 -9.754 9.778 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.565 -9.567 8.090 1.00 0.00 H new ATOM 0 HA MET A 1 -10.731 -11.529 8.671 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.198 -9.957 7.597 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.743 -9.873 6.774 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.027 -7.965 8.806 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.343 -7.796 8.352 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.670 -5.807 6.379 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.784 -6.886 7.790 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.689 -5.483 7.828 1.00 0.00 H new ATOM 18 N ASP A 2 -8.924 -10.309 10.240 1.00 0.00 N ATOM 19 CA ASP A 2 -8.173 -10.003 11.445 1.00 0.00 C ATOM 20 C ASP A 2 -7.153 -8.904 11.139 1.00 0.00 C ATOM 21 O ASP A 2 -6.184 -9.135 10.418 1.00 0.00 O ATOM 22 CB ASP A 2 -7.408 -11.231 11.945 1.00 0.00 C ATOM 23 CG ASP A 2 -8.264 -12.277 12.663 1.00 0.00 C ATOM 24 OD1 ASP A 2 -9.267 -11.861 13.282 1.00 0.00 O ATOM 25 OD2 ASP A 2 -7.895 -13.468 12.576 1.00 0.00 O ATOM 0 H ASP A 2 -8.368 -10.693 9.476 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.880 -9.682 12.210 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -6.917 -11.706 11.095 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.621 -10.899 12.623 1.00 0.00 H new ATOM 30 N ILE A 3 -7.406 -7.732 11.703 1.00 0.00 N ATOM 31 CA ILE A 3 -6.523 -6.597 11.500 1.00 0.00 C ATOM 32 C ILE A 3 -5.663 -6.395 12.749 1.00 0.00 C ATOM 33 O ILE A 3 -6.172 -6.427 13.869 1.00 0.00 O ATOM 34 CB ILE A 3 -7.326 -5.358 11.099 1.00 0.00 C ATOM 35 CG1 ILE A 3 -8.125 -5.613 9.820 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.418 -4.133 10.973 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.792 -4.328 9.324 1.00 0.00 C ATOM 0 H ILE A 3 -8.211 -7.544 12.301 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.841 -6.788 10.671 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.045 -5.146 11.891 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.465 -6.006 9.047 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.884 -6.372 10.007 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.014 -3.266 10.687 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.933 -3.940 11.930 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.660 -4.319 10.212 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.353 -4.538 8.414 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.470 -3.951 10.090 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.028 -3.579 9.115 1.00 0.00 H new ATOM 49 N LYS A 4 -4.375 -6.191 12.516 1.00 0.00 N ATOM 50 CA LYS A 4 -3.440 -5.984 13.608 1.00 0.00 C ATOM 51 C LYS A 4 -2.626 -4.716 13.344 1.00 0.00 C ATOM 52 O LYS A 4 -1.777 -4.693 12.454 1.00 0.00 O ATOM 53 CB LYS A 4 -2.581 -7.232 13.823 1.00 0.00 C ATOM 54 CG LYS A 4 -1.679 -7.491 12.614 1.00 0.00 C ATOM 55 CD LYS A 4 -1.224 -8.951 12.573 1.00 0.00 C ATOM 56 CE LYS A 4 0.117 -9.128 13.288 1.00 0.00 C ATOM 57 NZ LYS A 4 1.231 -8.693 12.415 1.00 0.00 N ATOM 0 H LYS A 4 -3.957 -6.165 11.586 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.977 -5.830 14.544 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.970 -7.108 14.717 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.224 -8.096 13.993 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.215 -7.247 11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.809 -6.836 12.658 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.977 -9.584 13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.134 -9.279 11.537 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.123 -8.549 14.211 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.252 -10.173 13.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.079 -9.255 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.966 -8.831 11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.431 -7.686 12.583 1.00 0.00 H new ATOM 71 N ILE A 5 -2.913 -3.691 14.133 1.00 0.00 N ATOM 72 CA ILE A 5 -2.219 -2.422 13.995 1.00 0.00 C ATOM 73 C ILE A 5 -0.720 -2.640 14.215 1.00 0.00 C ATOM 74 O ILE A 5 -0.299 -3.035 15.301 1.00 0.00 O ATOM 75 CB ILE A 5 -2.830 -1.373 14.925 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.274 -1.061 14.526 1.00 0.00 C ATOM 77 CG2 ILE A 5 -1.965 -0.112 14.974 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.166 -0.919 15.761 1.00 0.00 C ATOM 0 H ILE A 5 -3.617 -3.714 14.871 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.341 -2.029 12.986 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.856 -1.785 15.934 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.303 -0.140 13.944 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.658 -1.855 13.885 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.423 0.617 15.642 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.971 -0.367 15.341 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.885 0.313 13.974 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.187 -0.697 15.449 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.154 -1.850 16.328 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.794 -0.108 16.387 1.00 0.00 H new ATOM 90 N ILE A 6 0.044 -2.372 13.166 1.00 0.00 N ATOM 91 CA ILE A 6 1.487 -2.534 13.231 1.00 0.00 C ATOM 92 C ILE A 6 2.099 -1.329 13.947 1.00 0.00 C ATOM 93 O ILE A 6 2.611 -1.457 15.058 1.00 0.00 O ATOM 94 CB ILE A 6 2.062 -2.776 11.834 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.561 -4.102 11.257 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.590 -2.698 11.849 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.491 -5.254 11.644 1.00 0.00 C ATOM 0 H ILE A 6 -0.309 -2.044 12.267 1.00 0.00 H new ATOM 0 HA ILE A 6 1.745 -3.418 13.815 1.00 0.00 H new ATOM 0 HB ILE A 6 1.706 -1.984 11.176 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.554 -4.304 11.622 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.498 -4.030 10.171 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.973 -2.874 10.844 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.901 -1.710 12.188 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.986 -3.455 12.526 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.113 -6.185 11.222 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.491 -5.060 11.257 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.533 -5.339 12.730 1.00 0.00 H new ATOM 109 N LYS A 7 2.025 -0.185 13.282 1.00 0.00 N ATOM 110 CA LYS A 7 2.566 1.042 13.842 1.00 0.00 C ATOM 111 C LYS A 7 1.712 2.226 13.383 1.00 0.00 C ATOM 112 O LYS A 7 1.070 2.164 12.336 1.00 0.00 O ATOM 113 CB LYS A 7 4.049 1.182 13.493 1.00 0.00 C ATOM 114 CG LYS A 7 4.931 0.636 14.618 1.00 0.00 C ATOM 115 CD LYS A 7 6.186 1.493 14.796 1.00 0.00 C ATOM 116 CE LYS A 7 6.277 2.042 16.221 1.00 0.00 C ATOM 117 NZ LYS A 7 6.081 3.509 16.225 1.00 0.00 N ATOM 0 H LYS A 7 1.599 -0.082 12.361 1.00 0.00 H new ATOM 0 HA LYS A 7 2.520 1.017 14.931 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.261 0.646 12.568 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.287 2.231 13.316 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.366 0.614 15.550 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.217 -0.392 14.395 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.072 0.898 14.575 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.171 2.319 14.085 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.523 1.567 16.849 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.249 1.798 16.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.146 3.865 17.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.816 3.959 15.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.144 3.735 15.835 1.00 0.00 H new ATOM 131 N ASP A 8 1.732 3.277 14.190 1.00 0.00 N ATOM 132 CA ASP A 8 0.968 4.473 13.880 1.00 0.00 C ATOM 133 C ASP A 8 1.905 5.682 13.865 1.00 0.00 C ATOM 134 O ASP A 8 2.436 6.074 14.903 1.00 0.00 O ATOM 135 CB ASP A 8 -0.112 4.725 14.935 1.00 0.00 C ATOM 136 CG ASP A 8 -0.567 6.180 15.059 1.00 0.00 C ATOM 137 OD1 ASP A 8 0.278 7.007 15.464 1.00 0.00 O ATOM 138 OD2 ASP A 8 -1.751 6.433 14.744 1.00 0.00 O ATOM 0 H ASP A 8 2.265 3.325 15.058 1.00 0.00 H new ATOM 0 HA ASP A 8 0.497 4.330 12.908 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.979 4.108 14.700 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.263 4.393 15.903 1.00 0.00 H new ATOM 143 N LYS A 9 2.080 6.240 12.676 1.00 0.00 N ATOM 144 CA LYS A 9 2.944 7.397 12.512 1.00 0.00 C ATOM 145 C LYS A 9 2.088 8.663 12.455 1.00 0.00 C ATOM 146 O LYS A 9 1.004 8.659 11.873 1.00 0.00 O ATOM 147 CB LYS A 9 3.856 7.216 11.297 1.00 0.00 C ATOM 148 CG LYS A 9 4.448 8.555 10.851 1.00 0.00 C ATOM 149 CD LYS A 9 5.914 8.397 10.442 1.00 0.00 C ATOM 150 CE LYS A 9 6.139 8.888 9.011 1.00 0.00 C ATOM 151 NZ LYS A 9 5.706 7.862 8.037 1.00 0.00 N ATOM 0 H LYS A 9 1.638 5.912 11.817 1.00 0.00 H new ATOM 0 HA LYS A 9 3.610 7.500 13.369 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.660 6.522 11.542 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.291 6.773 10.477 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.873 8.950 10.013 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.369 9.280 11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.549 8.959 11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.207 7.350 10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.584 9.812 8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.194 9.118 8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.866 8.211 7.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.253 6.990 8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.694 7.662 8.170 1.00 0.00 H new ATOM 165 N LYS A 10 2.606 9.718 13.067 1.00 0.00 N ATOM 166 CA LYS A 10 1.903 10.989 13.093 1.00 0.00 C ATOM 167 C LYS A 10 2.573 11.958 12.117 1.00 0.00 C ATOM 168 O LYS A 10 3.800 12.024 12.046 1.00 0.00 O ATOM 169 CB LYS A 10 1.813 11.522 14.524 1.00 0.00 C ATOM 170 CG LYS A 10 0.687 12.549 14.657 1.00 0.00 C ATOM 171 CD LYS A 10 0.882 13.419 15.901 1.00 0.00 C ATOM 172 CE LYS A 10 -0.442 13.626 16.638 1.00 0.00 C ATOM 173 NZ LYS A 10 -0.237 14.447 17.852 1.00 0.00 N ATOM 0 H LYS A 10 3.505 9.718 13.549 1.00 0.00 H new ATOM 0 HA LYS A 10 0.873 10.861 12.759 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.640 10.696 15.213 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.762 11.979 14.806 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.659 13.180 13.769 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.273 12.036 14.715 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.604 12.949 16.568 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.297 14.385 15.612 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.159 14.114 15.979 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.867 12.660 16.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.146 14.578 18.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.431 13.966 18.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.148 15.375 17.583 1.00 0.00 H new ATOM 187 N ASN A 11 1.739 12.687 11.390 1.00 0.00 N ATOM 188 CA ASN A 11 2.236 13.649 10.421 1.00 0.00 C ATOM 189 C ASN A 11 1.300 14.859 10.385 1.00 0.00 C ATOM 190 O ASN A 11 0.423 14.944 9.526 1.00 0.00 O ATOM 191 CB ASN A 11 2.282 13.044 9.017 1.00 0.00 C ATOM 192 CG ASN A 11 2.756 14.075 7.991 1.00 0.00 C ATOM 193 OD1 ASN A 11 2.123 15.090 7.754 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.904 13.759 7.397 1.00 0.00 N ATOM 0 H ASN A 11 0.722 12.631 11.453 1.00 0.00 H new ATOM 0 HA ASN A 11 3.243 13.940 10.720 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.952 12.184 9.010 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.292 12.680 8.741 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.305 14.383 6.697 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.383 12.893 7.642 1.00 0.00 H new ATOM 201 N PRO A 12 1.522 15.788 11.352 1.00 0.00 N ATOM 202 CA PRO A 12 0.709 16.988 11.439 1.00 0.00 C ATOM 203 C PRO A 12 1.088 17.988 10.344 1.00 0.00 C ATOM 204 O PRO A 12 0.330 18.912 10.052 1.00 0.00 O ATOM 205 CB PRO A 12 0.947 17.525 12.841 1.00 0.00 C ATOM 206 CG PRO A 12 2.232 16.873 13.324 1.00 0.00 C ATOM 207 CD PRO A 12 2.551 15.720 12.386 1.00 0.00 C ATOM 0 HA PRO A 12 -0.351 16.790 11.277 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.039 18.611 12.833 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.114 17.281 13.500 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.048 17.596 13.331 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.116 16.513 14.346 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.549 15.821 11.959 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.524 14.764 12.910 1.00 0.00 H new ATOM 215 N LEU A 13 2.260 17.768 9.767 1.00 0.00 N ATOM 216 CA LEU A 13 2.749 18.638 8.711 1.00 0.00 C ATOM 217 C LEU A 13 1.781 18.590 7.528 1.00 0.00 C ATOM 218 O LEU A 13 1.170 19.599 7.179 1.00 0.00 O ATOM 219 CB LEU A 13 4.189 18.275 8.342 1.00 0.00 C ATOM 220 CG LEU A 13 5.194 18.259 9.496 1.00 0.00 C ATOM 221 CD1 LEU A 13 6.586 17.855 9.006 1.00 0.00 C ATOM 222 CD2 LEU A 13 5.211 19.604 10.226 1.00 0.00 C ATOM 0 H LEU A 13 2.885 17.000 10.011 1.00 0.00 H new ATOM 0 HA LEU A 13 2.783 19.672 9.054 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.186 17.290 7.875 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.540 18.983 7.591 1.00 0.00 H new ATOM 0 HG LEU A 13 4.876 17.505 10.216 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.281 17.852 9.846 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.542 16.858 8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.928 18.567 8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.933 19.566 11.042 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.492 20.393 9.528 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.220 19.812 10.629 1.00 0.00 H new ATOM 234 N LEU A 14 1.670 17.407 6.942 1.00 0.00 N ATOM 235 CA LEU A 14 0.786 17.214 5.805 1.00 0.00 C ATOM 236 C LEU A 14 -0.665 17.198 6.290 1.00 0.00 C ATOM 237 O LEU A 14 -1.588 17.405 5.503 1.00 0.00 O ATOM 238 CB LEU A 14 1.186 15.962 5.021 1.00 0.00 C ATOM 239 CG LEU A 14 2.679 15.805 4.725 1.00 0.00 C ATOM 240 CD1 LEU A 14 3.007 14.370 4.308 1.00 0.00 C ATOM 241 CD2 LEU A 14 3.142 16.825 3.684 1.00 0.00 C ATOM 0 H LEU A 14 2.178 16.572 7.233 1.00 0.00 H new ATOM 0 HA LEU A 14 0.880 18.044 5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.852 15.087 5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.646 15.962 4.074 1.00 0.00 H new ATOM 0 HG LEU A 14 3.232 16.008 5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.074 14.286 4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.737 13.686 5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.444 14.114 3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.207 16.691 3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.585 16.679 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.965 17.833 4.058 1.00 0.00 H new ATOM 253 N ASN A 15 -0.821 16.951 7.582 1.00 0.00 N ATOM 254 CA ASN A 15 -2.144 16.906 8.181 1.00 0.00 C ATOM 255 C ASN A 15 -2.770 15.534 7.921 1.00 0.00 C ATOM 256 O ASN A 15 -3.950 15.439 7.586 1.00 0.00 O ATOM 257 CB ASN A 15 -3.062 17.967 7.570 1.00 0.00 C ATOM 258 CG ASN A 15 -3.940 18.615 8.642 1.00 0.00 C ATOM 259 OD1 ASN A 15 -5.106 18.294 8.804 1.00 0.00 O ATOM 260 ND2 ASN A 15 -3.317 19.543 9.364 1.00 0.00 N ATOM 0 H ASN A 15 -0.053 16.780 8.231 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.037 17.094 9.249 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.462 18.731 7.076 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.692 17.512 6.805 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.817 20.034 10.105 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.339 19.764 9.176 1.00 0.00 H new ATOM 267 N ARG A 16 -1.952 14.505 8.085 1.00 0.00 N ATOM 268 CA ARG A 16 -2.410 13.143 7.872 1.00 0.00 C ATOM 269 C ARG A 16 -1.824 12.213 8.937 1.00 0.00 C ATOM 270 O ARG A 16 -1.248 12.675 9.921 1.00 0.00 O ATOM 271 CB ARG A 16 -2.009 12.636 6.486 1.00 0.00 C ATOM 272 CG ARG A 16 -0.507 12.350 6.420 1.00 0.00 C ATOM 273 CD ARG A 16 -0.125 11.727 5.076 1.00 0.00 C ATOM 274 NE ARG A 16 0.066 12.789 4.062 1.00 0.00 N ATOM 275 CZ ARG A 16 0.439 12.560 2.796 1.00 0.00 C ATOM 276 NH1 ARG A 16 0.664 11.306 2.380 1.00 0.00 N ATOM 277 NH2 ARG A 16 0.588 13.585 1.946 1.00 0.00 N ATOM 0 H ARG A 16 -0.974 14.587 8.363 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.498 13.145 7.944 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.566 11.729 6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.275 13.377 5.733 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.050 13.276 6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.226 11.677 7.230 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.791 11.145 5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.904 11.038 4.751 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.097 13.755 4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.551 10.526 3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.948 11.132 1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.417 14.539 2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.872 13.411 0.982 1.00 0.00 H new ATOM 291 N ARG A 17 -1.991 10.919 8.704 1.00 0.00 N ATOM 292 CA ARG A 17 -1.485 9.921 9.631 1.00 0.00 C ATOM 293 C ARG A 17 -1.192 8.613 8.893 1.00 0.00 C ATOM 294 O ARG A 17 -2.072 8.052 8.242 1.00 0.00 O ATOM 295 CB ARG A 17 -2.490 9.652 10.752 1.00 0.00 C ATOM 296 CG ARG A 17 -1.835 9.810 12.126 1.00 0.00 C ATOM 297 CD ARG A 17 -2.092 8.581 13.001 1.00 0.00 C ATOM 298 NE ARG A 17 -2.737 8.989 14.269 1.00 0.00 N ATOM 299 CZ ARG A 17 -2.068 9.403 15.353 1.00 0.00 C ATOM 300 NH1 ARG A 17 -0.730 9.466 15.331 1.00 0.00 N ATOM 301 NH2 ARG A 17 -2.737 9.754 16.460 1.00 0.00 N ATOM 0 H ARG A 17 -2.469 10.539 7.887 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.565 10.310 10.069 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.330 10.341 10.665 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.892 8.644 10.651 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.762 9.958 12.006 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.226 10.700 12.619 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.729 7.873 12.470 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.152 8.070 13.209 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.755 8.953 14.321 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.221 9.199 14.489 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.221 9.781 16.157 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.756 9.706 16.477 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.227 10.069 17.285 1.00 0.00 H new ATOM 315 N GLU A 18 0.048 8.164 9.021 1.00 0.00 N ATOM 316 CA GLU A 18 0.469 6.933 8.375 1.00 0.00 C ATOM 317 C GLU A 18 0.369 5.759 9.352 1.00 0.00 C ATOM 318 O GLU A 18 1.172 5.647 10.276 1.00 0.00 O ATOM 319 CB GLU A 18 1.888 7.062 7.818 1.00 0.00 C ATOM 320 CG GLU A 18 2.027 8.321 6.959 1.00 0.00 C ATOM 321 CD GLU A 18 1.783 8.007 5.481 1.00 0.00 C ATOM 322 OE1 GLU A 18 2.071 6.854 5.092 1.00 0.00 O ATOM 323 OE2 GLU A 18 1.315 8.926 4.775 1.00 0.00 O ATOM 0 H GLU A 18 0.775 8.631 9.563 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.199 6.741 7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.603 7.097 8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.130 6.182 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.316 9.076 7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.024 8.743 7.085 1.00 0.00 H new ATOM 330 N LEU A 19 -0.625 4.916 9.114 1.00 0.00 N ATOM 331 CA LEU A 19 -0.840 3.755 9.962 1.00 0.00 C ATOM 332 C LEU A 19 -0.603 2.482 9.147 1.00 0.00 C ATOM 333 O LEU A 19 -1.053 2.378 8.007 1.00 0.00 O ATOM 334 CB LEU A 19 -2.222 3.818 10.615 1.00 0.00 C ATOM 335 CG LEU A 19 -2.646 5.185 11.158 1.00 0.00 C ATOM 336 CD1 LEU A 19 -3.810 5.760 10.349 1.00 0.00 C ATOM 337 CD2 LEU A 19 -2.969 5.105 12.652 1.00 0.00 C ATOM 0 H LEU A 19 -1.290 5.013 8.347 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.124 3.746 10.784 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.963 3.494 9.884 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.248 3.100 11.434 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.807 5.872 11.046 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.091 6.731 10.756 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.507 5.876 9.308 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.662 5.083 10.405 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.267 6.089 13.013 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.783 4.398 12.811 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.087 4.771 13.198 1.00 0.00 H new ATOM 349 N ASP A 20 0.104 1.546 9.763 1.00 0.00 N ATOM 350 CA ASP A 20 0.406 0.285 9.109 1.00 0.00 C ATOM 351 C ASP A 20 -0.210 -0.862 9.913 1.00 0.00 C ATOM 352 O ASP A 20 -0.170 -0.855 11.142 1.00 0.00 O ATOM 353 CB ASP A 20 1.916 0.051 9.034 1.00 0.00 C ATOM 354 CG ASP A 20 2.473 -0.131 7.621 1.00 0.00 C ATOM 355 OD1 ASP A 20 1.651 -0.106 6.679 1.00 0.00 O ATOM 356 OD2 ASP A 20 3.708 -0.292 7.514 1.00 0.00 O ATOM 0 H ASP A 20 0.476 1.636 10.708 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.004 0.322 8.100 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.423 0.895 9.502 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.161 -0.834 9.622 1.00 0.00 H new ATOM 361 N PHE A 21 -0.766 -1.820 9.185 1.00 0.00 N ATOM 362 CA PHE A 21 -1.390 -2.971 9.815 1.00 0.00 C ATOM 363 C PHE A 21 -1.328 -4.197 8.901 1.00 0.00 C ATOM 364 O PHE A 21 -0.922 -4.093 7.745 1.00 0.00 O ATOM 365 CB PHE A 21 -2.856 -2.607 10.061 1.00 0.00 C ATOM 366 CG PHE A 21 -3.642 -2.296 8.786 1.00 0.00 C ATOM 367 CD1 PHE A 21 -3.460 -1.110 8.146 1.00 0.00 C ATOM 368 CD2 PHE A 21 -4.524 -3.207 8.292 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.190 -0.822 6.963 1.00 0.00 C ATOM 370 CE2 PHE A 21 -5.253 -2.919 7.108 1.00 0.00 C ATOM 371 CZ PHE A 21 -5.071 -1.732 6.469 1.00 0.00 C ATOM 0 H PHE A 21 -0.797 -1.822 8.165 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.870 -3.215 10.742 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.342 -3.431 10.583 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.899 -1.742 10.722 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.760 -0.387 8.538 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.669 -4.149 8.800 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.045 0.120 6.455 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.952 -3.642 6.715 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.626 -1.512 5.569 1.00 0.00 H new ATOM 381 N ILE A 22 -1.737 -5.329 9.455 1.00 0.00 N ATOM 382 CA ILE A 22 -1.734 -6.573 8.704 1.00 0.00 C ATOM 383 C ILE A 22 -3.145 -7.162 8.694 1.00 0.00 C ATOM 384 O ILE A 22 -3.788 -7.262 9.738 1.00 0.00 O ATOM 385 CB ILE A 22 -0.673 -7.528 9.255 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.707 -6.866 9.268 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.668 -8.848 8.481 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.201 -6.601 7.844 1.00 0.00 C ATOM 0 H ILE A 22 -2.073 -5.411 10.415 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.458 -6.390 7.666 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.928 -7.762 10.289 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.659 -5.928 9.821 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.417 -7.507 9.790 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.095 -9.508 8.893 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.645 -9.324 8.567 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.451 -8.653 7.431 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.183 -6.130 7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.271 -7.544 7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.501 -5.940 7.333 1.00 0.00 H new ATOM 400 N VAL A 23 -3.588 -7.536 7.502 1.00 0.00 N ATOM 401 CA VAL A 23 -4.912 -8.113 7.342 1.00 0.00 C ATOM 402 C VAL A 23 -4.787 -9.629 7.177 1.00 0.00 C ATOM 403 O VAL A 23 -4.074 -10.104 6.294 1.00 0.00 O ATOM 404 CB VAL A 23 -5.637 -7.442 6.174 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.135 -7.752 6.208 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.390 -5.932 6.170 1.00 0.00 C ATOM 0 H VAL A 23 -3.053 -7.450 6.638 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.517 -7.932 8.230 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.231 -7.850 5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.627 -7.263 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.285 -8.829 6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.562 -7.385 7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.917 -5.479 5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.756 -5.501 7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.322 -5.738 6.075 1.00 0.00 H new ATOM 416 N LYS A 24 -5.490 -10.346 8.041 1.00 0.00 N ATOM 417 CA LYS A 24 -5.467 -11.798 8.001 1.00 0.00 C ATOM 418 C LYS A 24 -6.903 -12.326 7.965 1.00 0.00 C ATOM 419 O LYS A 24 -7.833 -11.635 8.378 1.00 0.00 O ATOM 420 CB LYS A 24 -4.637 -12.352 9.161 1.00 0.00 C ATOM 421 CG LYS A 24 -3.186 -12.585 8.735 1.00 0.00 C ATOM 422 CD LYS A 24 -2.289 -12.825 9.952 1.00 0.00 C ATOM 423 CE LYS A 24 -0.986 -13.514 9.544 1.00 0.00 C ATOM 424 NZ LYS A 24 -1.002 -14.937 9.952 1.00 0.00 N ATOM 0 H LYS A 24 -6.079 -9.949 8.773 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.976 -12.147 7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.666 -11.656 9.999 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.072 -13.289 9.510 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.133 -13.443 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.824 -11.722 8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.066 -11.875 10.437 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.816 -13.439 10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.851 -13.441 8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.139 -13.007 10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.110 -15.390 9.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.109 -15.001 10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.799 -15.421 9.491 1.00 0.00 H new ATOM 438 N TYR A 25 -7.038 -13.547 7.467 1.00 0.00 N ATOM 439 CA TYR A 25 -8.345 -14.175 7.372 1.00 0.00 C ATOM 440 C TYR A 25 -8.216 -15.655 7.006 1.00 0.00 C ATOM 441 O TYR A 25 -7.183 -16.084 6.494 1.00 0.00 O ATOM 442 CB TYR A 25 -9.082 -13.447 6.247 1.00 0.00 C ATOM 443 CG TYR A 25 -8.199 -13.103 5.045 1.00 0.00 C ATOM 444 CD1 TYR A 25 -7.465 -11.934 5.041 1.00 0.00 C ATOM 445 CD2 TYR A 25 -8.138 -13.961 3.966 1.00 0.00 C ATOM 446 CE1 TYR A 25 -6.634 -11.610 3.910 1.00 0.00 C ATOM 447 CE2 TYR A 25 -7.307 -13.637 2.835 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.596 -12.478 2.863 1.00 0.00 C ATOM 449 OH TYR A 25 -5.812 -12.172 1.795 1.00 0.00 O ATOM 0 H TYR A 25 -6.264 -14.117 7.125 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.871 -14.113 8.325 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.912 -14.067 5.909 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.512 -12.527 6.644 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.514 -11.263 5.886 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.713 -14.875 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.054 -10.699 3.893 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.250 -14.299 1.984 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.201 -11.445 2.036 1.00 0.00 H new ATOM 459 N GLU A 26 -9.279 -16.395 7.285 1.00 0.00 N ATOM 460 CA GLU A 26 -9.297 -17.818 6.992 1.00 0.00 C ATOM 461 C GLU A 26 -10.116 -18.089 5.728 1.00 0.00 C ATOM 462 O GLU A 26 -11.111 -18.810 5.771 1.00 0.00 O ATOM 463 CB GLU A 26 -9.841 -18.616 8.179 1.00 0.00 C ATOM 464 CG GLU A 26 -8.702 -19.184 9.026 1.00 0.00 C ATOM 465 CD GLU A 26 -9.246 -19.979 10.215 1.00 0.00 C ATOM 466 OE1 GLU A 26 -9.542 -21.176 10.010 1.00 0.00 O ATOM 467 OE2 GLU A 26 -9.353 -19.372 11.302 1.00 0.00 O ATOM 0 H GLU A 26 -10.134 -16.036 7.711 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.272 -18.146 6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.472 -17.975 8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.470 -19.429 7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.073 -19.828 8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.071 -18.371 9.386 1.00 0.00 H new ATOM 474 N GLY A 27 -9.666 -17.497 4.631 1.00 0.00 N ATOM 475 CA GLY A 27 -10.344 -17.665 3.357 1.00 0.00 C ATOM 476 C GLY A 27 -10.920 -16.337 2.863 1.00 0.00 C ATOM 477 O GLY A 27 -11.009 -15.373 3.623 1.00 0.00 O ATOM 0 H GLY A 27 -8.840 -16.900 4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.646 -18.060 2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.145 -18.397 3.461 1.00 0.00 H new ATOM 481 N SER A 28 -11.296 -16.328 1.593 1.00 0.00 N ATOM 482 CA SER A 28 -11.861 -15.133 0.988 1.00 0.00 C ATOM 483 C SER A 28 -10.873 -13.971 1.104 1.00 0.00 C ATOM 484 O SER A 28 -9.965 -14.004 1.933 1.00 0.00 O ATOM 485 CB SER A 28 -13.195 -14.764 1.640 1.00 0.00 C ATOM 486 OG SER A 28 -13.640 -13.468 1.248 1.00 0.00 O ATOM 0 H SER A 28 -11.221 -17.129 0.966 1.00 0.00 H new ATOM 0 HA SER A 28 -12.048 -15.338 -0.066 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.948 -15.504 1.368 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.091 -14.799 2.724 1.00 0.00 H new ATOM 0 HG SER A 28 -14.495 -13.270 1.684 1.00 0.00 H new ATOM 492 N THR A 29 -11.085 -12.970 0.263 1.00 0.00 N ATOM 493 CA THR A 29 -10.225 -11.799 0.261 1.00 0.00 C ATOM 494 C THR A 29 -11.041 -10.537 0.548 1.00 0.00 C ATOM 495 O THR A 29 -11.933 -10.182 -0.221 1.00 0.00 O ATOM 496 CB THR A 29 -9.489 -11.755 -1.080 1.00 0.00 C ATOM 497 OG1 THR A 29 -8.358 -12.599 -0.883 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.882 -10.381 -1.370 1.00 0.00 C ATOM 0 H THR A 29 -11.840 -12.946 -0.422 1.00 0.00 H new ATOM 0 HA THR A 29 -9.480 -11.854 1.055 1.00 0.00 H new ATOM 0 HB THR A 29 -10.178 -12.024 -1.881 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.825 -12.629 -1.705 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.372 -10.405 -2.333 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.673 -9.632 -1.397 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.168 -10.126 -0.587 1.00 0.00 H new ATOM 506 N PRO A 30 -10.697 -9.877 1.686 1.00 0.00 N ATOM 507 CA PRO A 30 -11.388 -8.662 2.084 1.00 0.00 C ATOM 508 C PRO A 30 -10.951 -7.475 1.223 1.00 0.00 C ATOM 509 O PRO A 30 -9.777 -7.353 0.878 1.00 0.00 O ATOM 510 CB PRO A 30 -11.053 -8.483 3.556 1.00 0.00 C ATOM 511 CG PRO A 30 -9.821 -9.337 3.809 1.00 0.00 C ATOM 512 CD PRO A 30 -9.646 -10.268 2.621 1.00 0.00 C ATOM 0 HA PRO A 30 -12.466 -8.725 1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.857 -7.436 3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.884 -8.799 4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.940 -8.708 3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.936 -9.910 4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.658 -10.159 2.174 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.748 -11.312 2.918 1.00 0.00 H new ATOM 520 N SER A 31 -11.920 -6.631 0.900 1.00 0.00 N ATOM 521 CA SER A 31 -11.650 -5.458 0.085 1.00 0.00 C ATOM 522 C SER A 31 -11.105 -4.328 0.960 1.00 0.00 C ATOM 523 O SER A 31 -11.138 -4.416 2.186 1.00 0.00 O ATOM 524 CB SER A 31 -12.908 -4.999 -0.653 1.00 0.00 C ATOM 525 OG SER A 31 -13.227 -5.853 -1.748 1.00 0.00 O ATOM 0 H SER A 31 -12.893 -6.736 1.188 1.00 0.00 H new ATOM 0 HA SER A 31 -10.901 -5.724 -0.661 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.747 -4.973 0.042 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.764 -3.982 -1.017 1.00 0.00 H new ATOM 0 HG SER A 31 -14.037 -5.527 -2.192 1.00 0.00 H new ATOM 531 N ARG A 32 -10.616 -3.291 0.295 1.00 0.00 N ATOM 532 CA ARG A 32 -10.065 -2.144 0.997 1.00 0.00 C ATOM 533 C ARG A 32 -11.150 -1.462 1.833 1.00 0.00 C ATOM 534 O ARG A 32 -10.882 -0.987 2.935 1.00 0.00 O ATOM 535 CB ARG A 32 -9.474 -1.130 0.016 1.00 0.00 C ATOM 536 CG ARG A 32 -8.040 -1.506 -0.364 1.00 0.00 C ATOM 537 CD ARG A 32 -7.974 -2.038 -1.797 1.00 0.00 C ATOM 538 NE ARG A 32 -6.901 -1.347 -2.545 1.00 0.00 N ATOM 539 CZ ARG A 32 -6.436 -1.749 -3.735 1.00 0.00 C ATOM 540 NH1 ARG A 32 -6.946 -2.841 -4.320 1.00 0.00 N ATOM 541 NH2 ARG A 32 -5.459 -1.060 -4.341 1.00 0.00 N ATOM 0 H ARG A 32 -10.590 -3.221 -0.722 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.271 -2.505 1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.092 -1.084 -0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.487 -0.136 0.463 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.393 -0.634 -0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.663 -2.261 0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.788 -3.112 -1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.932 -1.885 -2.295 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.489 -0.512 -2.128 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.689 -3.367 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.592 -3.147 -5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.069 -0.229 -3.896 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.105 -1.367 -5.247 1.00 0.00 H new ATOM 555 N ASN A 33 -12.352 -1.435 1.276 1.00 0.00 N ATOM 556 CA ASN A 33 -13.479 -0.819 1.957 1.00 0.00 C ATOM 557 C ASN A 33 -13.774 -1.590 3.245 1.00 0.00 C ATOM 558 O ASN A 33 -13.917 -0.993 4.311 1.00 0.00 O ATOM 559 CB ASN A 33 -14.735 -0.856 1.085 1.00 0.00 C ATOM 560 CG ASN A 33 -14.938 -2.243 0.473 1.00 0.00 C ATOM 561 OD1 ASN A 33 -14.419 -2.566 -0.583 1.00 0.00 O ATOM 562 ND2 ASN A 33 -15.721 -3.042 1.192 1.00 0.00 N ATOM 0 H ASN A 33 -12.570 -1.830 0.361 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.219 0.218 2.171 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.606 -0.588 1.684 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.653 -0.113 0.292 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.919 -3.989 0.868 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.124 -2.708 2.068 1.00 0.00 H new ATOM 569 N ASP A 34 -13.857 -2.905 3.104 1.00 0.00 N ATOM 570 CA ASP A 34 -14.133 -3.763 4.244 1.00 0.00 C ATOM 571 C ASP A 34 -13.070 -3.534 5.319 1.00 0.00 C ATOM 572 O ASP A 34 -13.394 -3.384 6.496 1.00 0.00 O ATOM 573 CB ASP A 34 -14.091 -5.240 3.844 1.00 0.00 C ATOM 574 CG ASP A 34 -15.380 -5.777 3.218 1.00 0.00 C ATOM 575 OD1 ASP A 34 -16.380 -5.028 3.246 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.336 -6.926 2.727 1.00 0.00 O ATOM 0 H ASP A 34 -13.738 -3.397 2.218 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.127 -3.518 4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.273 -5.387 3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.859 -5.834 4.728 1.00 0.00 H new ATOM 581 N VAL A 35 -11.821 -3.514 4.876 1.00 0.00 N ATOM 582 CA VAL A 35 -10.708 -3.305 5.786 1.00 0.00 C ATOM 583 C VAL A 35 -10.771 -1.882 6.345 1.00 0.00 C ATOM 584 O VAL A 35 -10.491 -1.661 7.522 1.00 0.00 O ATOM 585 CB VAL A 35 -9.387 -3.611 5.077 1.00 0.00 C ATOM 586 CG1 VAL A 35 -8.193 -3.212 5.945 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.308 -5.086 4.678 1.00 0.00 C ATOM 0 H VAL A 35 -11.556 -3.639 3.899 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.773 -3.989 6.632 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.350 -3.015 4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.267 -3.440 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.237 -2.143 6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.223 -3.768 6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.359 -5.277 4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.378 -5.708 5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.130 -5.325 4.003 1.00 0.00 H new ATOM 597 N ARG A 36 -11.139 -0.955 5.473 1.00 0.00 N ATOM 598 CA ARG A 36 -11.242 0.441 5.865 1.00 0.00 C ATOM 599 C ARG A 36 -12.257 0.601 6.998 1.00 0.00 C ATOM 600 O ARG A 36 -11.946 1.182 8.037 1.00 0.00 O ATOM 601 CB ARG A 36 -11.667 1.314 4.682 1.00 0.00 C ATOM 602 CG ARG A 36 -10.521 2.224 4.233 1.00 0.00 C ATOM 603 CD ARG A 36 -11.057 3.500 3.582 1.00 0.00 C ATOM 604 NE ARG A 36 -10.405 3.711 2.270 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.935 4.437 1.276 1.00 0.00 C ATOM 606 NH1 ARG A 36 -12.128 5.026 1.438 1.00 0.00 N ATOM 607 NH2 ARG A 36 -10.272 4.574 0.119 1.00 0.00 N ATOM 0 H ARG A 36 -11.369 -1.143 4.497 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.258 0.763 6.206 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.980 0.681 3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.528 1.920 4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.900 2.482 5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.884 1.691 3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.137 3.426 3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.871 4.355 4.232 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.496 3.277 2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.633 4.922 2.318 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.531 5.578 0.681 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.364 4.126 -0.005 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.675 5.127 -0.638 1.00 0.00 H new ATOM 621 N ASN A 37 -13.450 0.075 6.761 1.00 0.00 N ATOM 622 CA ASN A 37 -14.512 0.152 7.749 1.00 0.00 C ATOM 623 C ASN A 37 -14.008 -0.415 9.078 1.00 0.00 C ATOM 624 O ASN A 37 -14.380 0.071 10.145 1.00 0.00 O ATOM 625 CB ASN A 37 -15.728 -0.669 7.316 1.00 0.00 C ATOM 626 CG ASN A 37 -16.848 0.238 6.803 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.244 1.199 7.442 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.335 -0.120 5.619 1.00 0.00 N ATOM 0 H ASN A 37 -13.704 -0.406 5.898 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.801 1.198 7.852 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.437 -1.371 6.535 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.090 -1.260 8.157 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.086 0.422 5.192 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.957 -0.936 5.138 1.00 0.00 H new ATOM 635 N LYS A 38 -13.169 -1.434 8.970 1.00 0.00 N ATOM 636 CA LYS A 38 -12.611 -2.072 10.150 1.00 0.00 C ATOM 637 C LYS A 38 -11.664 -1.096 10.852 1.00 0.00 C ATOM 638 O LYS A 38 -11.790 -0.859 12.053 1.00 0.00 O ATOM 639 CB LYS A 38 -11.956 -3.405 9.780 1.00 0.00 C ATOM 640 CG LYS A 38 -11.997 -4.381 10.957 1.00 0.00 C ATOM 641 CD LYS A 38 -12.221 -5.815 10.472 1.00 0.00 C ATOM 642 CE LYS A 38 -12.626 -6.729 11.631 1.00 0.00 C ATOM 643 NZ LYS A 38 -14.093 -6.926 11.647 1.00 0.00 N ATOM 0 H LYS A 38 -12.862 -1.834 8.083 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.401 -2.318 10.860 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.470 -3.841 8.923 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.922 -3.235 9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.062 -4.324 11.514 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.795 -4.096 11.643 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.997 -5.827 9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.310 -6.192 10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.125 -7.692 11.535 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.301 -6.294 12.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.351 -7.548 12.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.566 -6.007 11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.395 -7.362 10.752 1.00 0.00 H new ATOM 657 N LEU A 39 -10.738 -0.557 10.074 1.00 0.00 N ATOM 658 CA LEU A 39 -9.770 0.388 10.606 1.00 0.00 C ATOM 659 C LEU A 39 -10.507 1.610 11.156 1.00 0.00 C ATOM 660 O LEU A 39 -10.311 1.991 12.309 1.00 0.00 O ATOM 661 CB LEU A 39 -8.718 0.729 9.549 1.00 0.00 C ATOM 662 CG LEU A 39 -7.260 0.513 9.961 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.706 -0.781 9.361 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.402 1.727 9.597 1.00 0.00 C ATOM 0 H LEU A 39 -10.637 -0.756 9.079 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.222 -0.055 11.437 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.917 0.130 8.660 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.843 1.773 9.264 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.224 0.406 11.045 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.669 -0.910 9.669 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.297 -1.627 9.712 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.757 -0.729 8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.371 1.548 9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.440 1.890 8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.783 2.609 10.111 1.00 0.00 H new ATOM 676 N ALA A 40 -11.341 2.191 10.306 1.00 0.00 N ATOM 677 CA ALA A 40 -12.109 3.363 10.693 1.00 0.00 C ATOM 678 C ALA A 40 -12.791 3.099 12.037 1.00 0.00 C ATOM 679 O ALA A 40 -12.899 3.999 12.869 1.00 0.00 O ATOM 680 CB ALA A 40 -13.110 3.705 9.588 1.00 0.00 C ATOM 0 H ALA A 40 -11.502 1.872 9.351 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.455 4.226 10.819 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.686 4.584 9.878 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.573 3.912 8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.785 2.863 9.435 1.00 0.00 H new ATOM 686 N ALA A 41 -13.232 1.862 12.208 1.00 0.00 N ATOM 687 CA ALA A 41 -13.900 1.469 13.437 1.00 0.00 C ATOM 688 C ALA A 41 -12.862 1.314 14.550 1.00 0.00 C ATOM 689 O ALA A 41 -13.122 1.665 15.700 1.00 0.00 O ATOM 690 CB ALA A 41 -14.694 0.183 13.198 1.00 0.00 C ATOM 0 H ALA A 41 -13.140 1.118 11.516 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.608 2.236 13.751 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.195 -0.112 14.120 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.438 0.354 12.419 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.016 -0.610 12.884 1.00 0.00 H new ATOM 696 N MET A 42 -11.707 0.788 14.169 1.00 0.00 N ATOM 697 CA MET A 42 -10.628 0.583 15.121 1.00 0.00 C ATOM 698 C MET A 42 -10.072 1.919 15.617 1.00 0.00 C ATOM 699 O MET A 42 -9.888 2.112 16.817 1.00 0.00 O ATOM 700 CB MET A 42 -9.508 -0.222 14.458 1.00 0.00 C ATOM 701 CG MET A 42 -9.789 -1.724 14.541 1.00 0.00 C ATOM 702 SD MET A 42 -8.608 -2.506 15.628 1.00 0.00 S ATOM 703 CE MET A 42 -7.348 -2.954 14.446 1.00 0.00 C ATOM 0 H MET A 42 -11.495 0.498 13.215 1.00 0.00 H new ATOM 0 HA MET A 42 -11.023 0.036 15.977 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.410 0.076 13.414 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.558 0.001 14.944 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.801 -1.893 14.908 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.732 -2.169 13.548 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.457 -3.293 14.975 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.718 -3.755 13.806 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.098 -2.087 13.834 1.00 0.00 H new ATOM 713 N LEU A 43 -9.821 2.808 14.667 1.00 0.00 N ATOM 714 CA LEU A 43 -9.290 4.121 14.992 1.00 0.00 C ATOM 715 C LEU A 43 -10.449 5.087 15.243 1.00 0.00 C ATOM 716 O LEU A 43 -10.235 6.284 15.427 1.00 0.00 O ATOM 717 CB LEU A 43 -8.322 4.591 13.904 1.00 0.00 C ATOM 718 CG LEU A 43 -7.695 3.493 13.043 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.519 4.037 12.230 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.292 2.289 13.897 1.00 0.00 C ATOM 0 H LEU A 43 -9.976 2.645 13.672 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.705 4.079 15.911 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.852 5.281 13.248 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.519 5.155 14.379 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.446 3.147 12.332 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.092 3.236 11.627 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.868 4.837 11.576 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.758 4.427 12.906 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.849 1.523 13.260 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.566 2.602 14.647 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.174 1.883 14.393 1.00 0.00 H new ATOM 732 N ASN A 44 -11.651 4.531 15.243 1.00 0.00 N ATOM 733 CA ASN A 44 -12.845 5.328 15.469 1.00 0.00 C ATOM 734 C ASN A 44 -12.757 6.614 14.645 1.00 0.00 C ATOM 735 O ASN A 44 -13.149 7.683 15.111 1.00 0.00 O ATOM 736 CB ASN A 44 -12.975 5.719 16.943 1.00 0.00 C ATOM 737 CG ASN A 44 -12.711 4.519 17.854 1.00 0.00 C ATOM 738 OD1 ASN A 44 -13.617 3.828 18.291 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.424 4.310 18.115 1.00 0.00 N ATOM 0 H ASN A 44 -11.824 3.538 15.090 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.709 4.732 15.176 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.270 6.518 17.174 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -13.974 6.111 17.132 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.145 3.533 18.714 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.716 4.927 17.717 1.00 0.00 H new ATOM 746 N ALA A 45 -12.240 6.469 13.434 1.00 0.00 N ATOM 747 CA ALA A 45 -12.096 7.605 12.540 1.00 0.00 C ATOM 748 C ALA A 45 -13.028 7.426 11.340 1.00 0.00 C ATOM 749 O ALA A 45 -13.533 6.331 11.099 1.00 0.00 O ATOM 750 CB ALA A 45 -10.630 7.745 12.124 1.00 0.00 C ATOM 0 H ALA A 45 -11.915 5.581 13.051 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.381 8.528 13.044 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.522 8.597 11.453 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.014 7.900 13.010 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.309 6.838 11.612 1.00 0.00 H new ATOM 756 N PRO A 46 -13.234 8.549 10.599 1.00 0.00 N ATOM 757 CA PRO A 46 -14.096 8.526 9.430 1.00 0.00 C ATOM 758 C PRO A 46 -13.406 7.834 8.253 1.00 0.00 C ATOM 759 O PRO A 46 -12.198 7.974 8.068 1.00 0.00 O ATOM 760 CB PRO A 46 -14.422 9.985 9.154 1.00 0.00 C ATOM 761 CG PRO A 46 -13.365 10.794 9.887 1.00 0.00 C ATOM 762 CD PRO A 46 -12.653 9.863 10.855 1.00 0.00 C ATOM 0 HA PRO A 46 -15.008 7.951 9.591 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.402 10.194 8.084 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.422 10.236 9.509 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.656 11.225 9.180 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.824 11.624 10.424 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.577 9.861 10.683 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.810 10.171 11.889 1.00 0.00 H new ATOM 770 N LEU A 47 -14.204 7.103 7.488 1.00 0.00 N ATOM 771 CA LEU A 47 -13.685 6.389 6.334 1.00 0.00 C ATOM 772 C LEU A 47 -13.219 7.398 5.282 1.00 0.00 C ATOM 773 O LEU A 47 -12.097 7.310 4.785 1.00 0.00 O ATOM 774 CB LEU A 47 -14.720 5.391 5.812 1.00 0.00 C ATOM 775 CG LEU A 47 -14.163 4.082 5.247 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.219 2.966 6.293 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.883 3.692 3.955 1.00 0.00 C ATOM 0 H LEU A 47 -15.206 6.990 7.645 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.815 5.795 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.406 5.151 6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.306 5.879 5.034 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.114 4.237 4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.817 2.047 5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.626 3.252 7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.253 2.804 6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.468 2.759 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.946 3.561 4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.749 4.478 3.212 1.00 0.00 H new ATOM 789 N GLU A 48 -14.104 8.335 4.974 1.00 0.00 N ATOM 790 CA GLU A 48 -13.798 9.360 3.991 1.00 0.00 C ATOM 791 C GLU A 48 -12.398 9.926 4.233 1.00 0.00 C ATOM 792 O GLU A 48 -11.623 10.099 3.293 1.00 0.00 O ATOM 793 CB GLU A 48 -14.850 10.470 4.010 1.00 0.00 C ATOM 794 CG GLU A 48 -15.150 10.916 5.443 1.00 0.00 C ATOM 795 CD GLU A 48 -16.656 11.065 5.667 1.00 0.00 C ATOM 796 OE1 GLU A 48 -17.273 10.054 6.067 1.00 0.00 O ATOM 797 OE2 GLU A 48 -17.156 12.186 5.433 1.00 0.00 O ATOM 0 H GLU A 48 -15.033 8.406 5.388 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.818 8.904 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.497 11.321 3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.766 10.116 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.744 10.189 6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.653 11.865 5.644 1.00 0.00 H new ATOM 804 N LEU A 49 -12.115 10.199 5.498 1.00 0.00 N ATOM 805 CA LEU A 49 -10.822 10.743 5.876 1.00 0.00 C ATOM 806 C LEU A 49 -9.766 9.639 5.794 1.00 0.00 C ATOM 807 O LEU A 49 -8.588 9.916 5.574 1.00 0.00 O ATOM 808 CB LEU A 49 -10.903 11.415 7.247 1.00 0.00 C ATOM 809 CG LEU A 49 -11.884 12.584 7.365 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.681 13.341 8.679 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.784 13.508 6.149 1.00 0.00 C ATOM 0 H LEU A 49 -12.760 10.053 6.275 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.520 11.526 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.178 10.660 7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.909 11.773 7.513 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.896 12.180 7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.391 14.166 8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.843 12.664 9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.665 13.733 8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.491 14.330 6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.772 13.907 6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.017 12.946 5.245 1.00 0.00 H new ATOM 823 N LEU A 50 -10.226 8.409 5.974 1.00 0.00 N ATOM 824 CA LEU A 50 -9.336 7.262 5.923 1.00 0.00 C ATOM 825 C LEU A 50 -9.112 6.860 4.464 1.00 0.00 C ATOM 826 O LEU A 50 -10.049 6.853 3.667 1.00 0.00 O ATOM 827 CB LEU A 50 -9.873 6.128 6.798 1.00 0.00 C ATOM 828 CG LEU A 50 -8.879 5.513 7.785 1.00 0.00 C ATOM 829 CD1 LEU A 50 -9.352 5.701 9.228 1.00 0.00 C ATOM 830 CD2 LEU A 50 -8.617 4.042 7.455 1.00 0.00 C ATOM 0 H LEU A 50 -11.204 8.182 6.155 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.361 7.518 6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.728 6.504 7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.243 5.337 6.146 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.930 6.039 7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.628 5.255 9.909 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.446 6.765 9.444 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.320 5.217 9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.907 3.629 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.552 3.485 7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.205 3.963 6.449 1.00 0.00 H new ATOM 842 N VAL A 51 -7.865 6.535 4.158 1.00 0.00 N ATOM 843 CA VAL A 51 -7.506 6.132 2.809 1.00 0.00 C ATOM 844 C VAL A 51 -6.522 4.963 2.874 1.00 0.00 C ATOM 845 O VAL A 51 -5.838 4.778 3.880 1.00 0.00 O ATOM 846 CB VAL A 51 -6.957 7.332 2.033 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.133 7.137 0.526 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.615 8.633 2.498 1.00 0.00 C ATOM 0 H VAL A 51 -7.090 6.542 4.821 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.386 5.786 2.268 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.889 7.404 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.735 8.004 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.597 6.242 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.192 7.026 0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.207 9.470 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.691 8.575 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.416 8.782 3.559 1.00 0.00 H new ATOM 858 N ILE A 52 -6.481 4.204 1.789 1.00 0.00 N ATOM 859 CA ILE A 52 -5.592 3.057 1.711 1.00 0.00 C ATOM 860 C ILE A 52 -4.584 3.275 0.581 1.00 0.00 C ATOM 861 O ILE A 52 -4.968 3.559 -0.552 1.00 0.00 O ATOM 862 CB ILE A 52 -6.397 1.763 1.577 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.480 1.676 2.654 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.476 0.541 1.589 1.00 0.00 C ATOM 865 CD1 ILE A 52 -6.942 1.004 3.919 1.00 0.00 C ATOM 0 H ILE A 52 -7.049 4.361 0.956 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.020 2.954 2.633 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.904 1.775 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.840 2.676 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.332 1.113 2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.073 -0.366 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.776 0.605 0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.922 0.512 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.732 0.955 4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.605 -0.005 3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.105 1.583 4.311 1.00 0.00 H new ATOM 877 N GLN A 53 -3.313 3.133 0.929 1.00 0.00 N ATOM 878 CA GLN A 53 -2.247 3.310 -0.042 1.00 0.00 C ATOM 879 C GLN A 53 -2.282 2.187 -1.080 1.00 0.00 C ATOM 880 O GLN A 53 -2.549 2.432 -2.256 1.00 0.00 O ATOM 881 CB GLN A 53 -0.883 3.377 0.647 1.00 0.00 C ATOM 882 CG GLN A 53 0.249 3.437 -0.381 1.00 0.00 C ATOM 883 CD GLN A 53 1.608 3.210 0.286 1.00 0.00 C ATOM 884 OE1 GLN A 53 2.194 2.142 0.211 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.073 4.270 0.940 1.00 0.00 N ATOM 0 H GLN A 53 -2.998 2.897 1.870 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.405 4.258 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.840 4.255 1.292 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.752 2.505 1.287 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.087 2.682 -1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.242 4.406 -0.879 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.531 5.134 0.963 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.972 4.220 1.419 1.00 0.00 H new ATOM 894 N ARG A 54 -2.009 0.980 -0.609 1.00 0.00 N ATOM 895 CA ARG A 54 -2.006 -0.182 -1.482 1.00 0.00 C ATOM 896 C ARG A 54 -1.870 -1.464 -0.658 1.00 0.00 C ATOM 897 O ARG A 54 -0.913 -1.622 0.099 1.00 0.00 O ATOM 898 CB ARG A 54 -0.859 -0.109 -2.492 1.00 0.00 C ATOM 899 CG ARG A 54 -1.271 -0.718 -3.834 1.00 0.00 C ATOM 900 CD ARG A 54 -1.078 0.285 -4.973 1.00 0.00 C ATOM 901 NE ARG A 54 -1.896 -0.112 -6.141 1.00 0.00 N ATOM 902 CZ ARG A 54 -1.645 0.272 -7.400 1.00 0.00 C ATOM 903 NH1 ARG A 54 -0.597 1.066 -7.662 1.00 0.00 N ATOM 904 NH2 ARG A 54 -2.440 -0.138 -8.397 1.00 0.00 N ATOM 0 H ARG A 54 -1.788 0.781 0.367 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.952 -0.193 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.562 0.930 -2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.010 -0.638 -2.100 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.680 -1.613 -4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.315 -1.029 -3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.363 1.283 -4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.026 0.331 -5.254 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.702 -0.716 -5.977 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.009 1.378 -6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.406 1.358 -8.620 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.237 -0.743 -8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.249 0.155 -9.355 1.00 0.00 H new ATOM 918 N ILE A 55 -2.841 -2.348 -0.834 1.00 0.00 N ATOM 919 CA ILE A 55 -2.841 -3.612 -0.117 1.00 0.00 C ATOM 920 C ILE A 55 -2.093 -4.662 -0.941 1.00 0.00 C ATOM 921 O ILE A 55 -2.184 -4.674 -2.168 1.00 0.00 O ATOM 922 CB ILE A 55 -4.270 -4.021 0.247 1.00 0.00 C ATOM 923 CG1 ILE A 55 -4.760 -3.260 1.482 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.378 -5.536 0.427 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.234 -3.559 1.760 1.00 0.00 C ATOM 0 H ILE A 55 -3.633 -2.214 -1.463 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.310 -3.512 0.830 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.925 -3.748 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.159 -3.539 2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.624 -2.189 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.404 -5.800 0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.098 -6.034 -0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.709 -5.856 1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.557 -3.006 2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.835 -3.257 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.362 -4.627 1.934 1.00 0.00 H new ATOM 937 N LYS A 56 -1.369 -5.517 -0.234 1.00 0.00 N ATOM 938 CA LYS A 56 -0.605 -6.568 -0.885 1.00 0.00 C ATOM 939 C LYS A 56 -1.008 -7.922 -0.298 1.00 0.00 C ATOM 940 O LYS A 56 -0.786 -8.182 0.883 1.00 0.00 O ATOM 941 CB LYS A 56 0.894 -6.278 -0.789 1.00 0.00 C ATOM 942 CG LYS A 56 1.622 -6.734 -2.055 1.00 0.00 C ATOM 943 CD LYS A 56 1.502 -5.687 -3.165 1.00 0.00 C ATOM 944 CE LYS A 56 2.250 -6.132 -4.422 1.00 0.00 C ATOM 945 NZ LYS A 56 1.434 -5.874 -5.630 1.00 0.00 N ATOM 0 H LYS A 56 -1.295 -5.504 0.783 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.832 -6.601 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.053 -5.210 -0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.312 -6.788 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.674 -6.911 -1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.205 -7.681 -2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.451 -5.522 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.903 -4.735 -2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.198 -5.599 -4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.486 -7.194 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.957 -6.182 -6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.540 -6.402 -5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.231 -4.857 -5.701 1.00 0.00 H new ATOM 959 N THR A 57 -1.592 -8.750 -1.152 1.00 0.00 N ATOM 960 CA THR A 57 -2.028 -10.072 -0.733 1.00 0.00 C ATOM 961 C THR A 57 -0.957 -11.114 -1.060 1.00 0.00 C ATOM 962 O THR A 57 -0.384 -11.101 -2.148 1.00 0.00 O ATOM 963 CB THR A 57 -3.376 -10.358 -1.397 1.00 0.00 C ATOM 964 OG1 THR A 57 -4.100 -9.139 -1.252 1.00 0.00 O ATOM 965 CG2 THR A 57 -4.207 -11.379 -0.619 1.00 0.00 C ATOM 0 H THR A 57 -1.773 -8.531 -2.132 1.00 0.00 H new ATOM 0 HA THR A 57 -2.165 -10.120 0.347 1.00 0.00 H new ATOM 0 HB THR A 57 -3.211 -10.722 -2.411 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.445 -9.070 -0.337 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.153 -11.546 -1.133 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.660 -12.319 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.401 -11.001 0.385 1.00 0.00 H new ATOM 1050 N GLU A 63 -2.700 -13.589 4.082 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.516 -12.355 4.828 1.00 0.00 C ATOM 1052 C GLU A 63 -2.249 -11.192 3.871 1.00 0.00 C ATOM 1053 O GLU A 63 -1.335 -11.255 3.051 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.386 -12.496 5.849 1.00 0.00 C ATOM 1055 CG GLU A 63 -1.068 -11.150 6.503 1.00 0.00 C ATOM 1056 CD GLU A 63 0.201 -10.537 5.907 1.00 0.00 C ATOM 1057 OE1 GLU A 63 1.269 -11.165 6.077 1.00 0.00 O ATOM 1058 OE2 GLU A 63 0.075 -9.455 5.294 1.00 0.00 O ATOM 0 HA GLU A 63 -3.433 -12.144 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.670 -13.218 6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.494 -12.886 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.906 -10.467 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.941 -11.284 7.577 1.00 0.00 H new ATOM 1065 N SER A 64 -3.063 -10.155 4.008 1.00 0.00 N ATOM 1066 CA SER A 64 -2.926 -8.979 3.166 1.00 0.00 C ATOM 1067 C SER A 64 -2.488 -7.780 4.009 1.00 0.00 C ATOM 1068 O SER A 64 -3.072 -7.507 5.057 1.00 0.00 O ATOM 1069 CB SER A 64 -4.236 -8.666 2.439 1.00 0.00 C ATOM 1070 OG SER A 64 -4.730 -9.794 1.721 1.00 0.00 O ATOM 0 H SER A 64 -3.820 -10.105 4.690 1.00 0.00 H new ATOM 0 HA SER A 64 -2.164 -9.184 2.414 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.984 -8.341 3.163 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.079 -7.837 1.749 1.00 0.00 H new ATOM 0 HG SER A 64 -5.568 -9.555 1.272 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.463 -7.097 3.521 1.00 0.00 N ATOM 1077 CA LYS A 65 -0.939 -5.934 4.217 1.00 0.00 C ATOM 1078 C LYS A 65 -1.086 -4.701 3.323 1.00 0.00 C ATOM 1079 O LYS A 65 -0.893 -4.783 2.111 1.00 0.00 O ATOM 1080 CB LYS A 65 0.496 -6.189 4.682 1.00 0.00 C ATOM 1081 CG LYS A 65 1.505 -5.669 3.657 1.00 0.00 C ATOM 1082 CD LYS A 65 2.939 -5.845 4.160 1.00 0.00 C ATOM 1083 CE LYS A 65 3.348 -7.319 4.142 1.00 0.00 C ATOM 1084 NZ LYS A 65 3.878 -7.695 2.812 1.00 0.00 N ATOM 0 H LYS A 65 -0.981 -7.327 2.652 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.513 -5.742 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.663 -5.701 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.647 -7.257 4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.379 -6.202 2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.313 -4.615 3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.621 -5.267 3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.024 -5.453 5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.104 -7.502 4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.489 -7.944 4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.151 -8.699 2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.146 -7.539 2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.710 -7.111 2.592 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.427 -3.588 3.956 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.603 -2.340 3.232 1.00 0.00 C ATOM 1100 C GLY A 66 -1.582 -1.145 4.188 1.00 0.00 C ATOM 1101 O GLY A 66 -2.086 -1.232 5.307 1.00 0.00 O ATOM 0 H GLY A 66 -1.586 -3.524 4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.812 -2.231 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.548 -2.360 2.690 1.00 0.00 H new ATOM 1105 N TYR A 67 -0.994 -0.058 3.711 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.901 1.153 4.509 1.00 0.00 C ATOM 1107 C TYR A 67 -2.144 2.027 4.327 1.00 0.00 C ATOM 1108 O TYR A 67 -2.717 2.077 3.240 1.00 0.00 O ATOM 1109 CB TYR A 67 0.322 1.910 3.986 1.00 0.00 C ATOM 1110 CG TYR A 67 1.365 2.224 5.060 1.00 0.00 C ATOM 1111 CD1 TYR A 67 1.034 3.029 6.131 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.639 1.702 4.957 1.00 0.00 C ATOM 1113 CE1 TYR A 67 2.016 3.324 7.141 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.621 1.997 5.968 1.00 0.00 C ATOM 1115 CZ TYR A 67 3.261 2.794 7.010 1.00 0.00 C ATOM 1116 OH TYR A 67 4.189 3.073 7.964 1.00 0.00 O ATOM 0 H TYR A 67 -0.577 0.010 2.782 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.820 0.909 5.568 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.792 1.321 3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.009 2.844 3.531 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.038 3.438 6.211 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.899 1.073 4.119 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.769 3.952 7.984 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.621 1.595 5.901 1.00 0.00 H new ATOM 0 HH TYR A 67 5.032 2.626 7.741 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.523 2.694 5.407 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.687 3.563 5.379 1.00 0.00 C ATOM 1128 C ALA A 68 -3.272 4.976 5.793 1.00 0.00 C ATOM 1129 O ALA A 68 -2.287 5.154 6.507 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.776 2.986 6.286 1.00 0.00 C ATOM 0 H ALA A 68 -2.045 2.650 6.307 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.099 3.622 4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.650 3.638 6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.055 1.993 5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.400 2.916 7.307 1.00 0.00 H new ATOM 1136 N LYS A 69 -4.045 5.946 5.325 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.771 7.338 5.637 1.00 0.00 C ATOM 1138 C LYS A 69 -4.965 7.934 6.384 1.00 0.00 C ATOM 1139 O LYS A 69 -6.052 8.064 5.822 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.392 8.107 4.370 1.00 0.00 C ATOM 1141 CG LYS A 69 -2.086 7.576 3.775 1.00 0.00 C ATOM 1142 CD LYS A 69 -1.843 8.155 2.380 1.00 0.00 C ATOM 1143 CE LYS A 69 -1.792 7.046 1.327 1.00 0.00 C ATOM 1144 NZ LYS A 69 -0.391 6.759 0.946 1.00 0.00 N ATOM 0 H LYS A 69 -4.861 5.795 4.732 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.909 7.417 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.192 8.020 3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.286 9.167 4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.253 7.833 4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.123 6.488 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.636 8.861 2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.906 8.712 2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.261 6.143 1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.361 7.345 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.378 6.187 0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.114 7.653 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.077 6.235 1.713 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.724 8.280 7.640 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.767 8.859 8.470 1.00 0.00 C ATOM 1160 C LEU A 70 -5.587 10.378 8.522 1.00 0.00 C ATOM 1161 O LEU A 70 -4.522 10.868 8.893 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.785 8.195 9.849 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.592 8.917 10.930 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -7.994 9.266 10.427 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.634 8.097 12.221 1.00 0.00 C ATOM 0 H LEU A 70 -3.822 8.171 8.103 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.749 8.668 8.036 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.183 7.186 9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.757 8.096 10.196 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.090 9.857 11.161 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.546 9.778 11.215 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.917 9.917 9.556 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.520 8.352 10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.213 8.632 12.973 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.099 7.131 12.024 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.619 7.943 12.587 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.646 11.080 8.144 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.618 12.532 8.142 1.00 0.00 C ATOM 1179 C TYR A 71 -7.616 13.101 9.152 1.00 0.00 C ATOM 1180 O TYR A 71 -8.564 12.421 9.544 1.00 0.00 O ATOM 1181 CB TYR A 71 -7.036 12.960 6.734 1.00 0.00 C ATOM 1182 CG TYR A 71 -5.977 12.696 5.662 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.852 11.437 5.111 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -5.145 13.717 5.247 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.854 11.189 4.103 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -4.148 13.468 4.239 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.051 12.216 3.717 1.00 0.00 C ATOM 1188 OH TYR A 71 -3.109 11.981 2.764 1.00 0.00 O ATOM 0 H TYR A 71 -7.528 10.670 7.837 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.627 12.897 8.413 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.951 12.434 6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.271 14.024 6.744 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.502 10.638 5.436 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.242 14.702 5.679 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.746 10.209 3.663 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.492 14.258 3.905 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.610 12.806 2.587 1.00 0.00 H new ATOM 1198 N GLU A 72 -7.370 14.342 9.545 1.00 0.00 N ATOM 1199 CA GLU A 72 -8.236 15.009 10.503 1.00 0.00 C ATOM 1200 C GLU A 72 -9.412 15.671 9.783 1.00 0.00 C ATOM 1201 O GLU A 72 -10.510 15.758 10.331 1.00 0.00 O ATOM 1202 CB GLU A 72 -7.453 16.032 11.329 1.00 0.00 C ATOM 1203 CG GLU A 72 -6.551 15.336 12.351 1.00 0.00 C ATOM 1204 CD GLU A 72 -5.677 16.351 13.090 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -4.820 16.960 12.415 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -5.885 16.494 14.315 1.00 0.00 O ATOM 0 H GLU A 72 -6.584 14.903 9.218 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.630 14.261 11.190 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.848 16.653 10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.147 16.697 11.844 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.163 14.787 13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.919 14.606 11.846 1.00 0.00 H new ATOM 1213 N ASP A 73 -9.143 16.122 8.566 1.00 0.00 N ATOM 1214 CA ASP A 73 -10.166 16.773 7.766 1.00 0.00 C ATOM 1215 C ASP A 73 -10.096 16.248 6.331 1.00 0.00 C ATOM 1216 O ASP A 73 -9.053 15.764 5.893 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.953 18.288 7.726 1.00 0.00 C ATOM 1218 CG ASP A 73 -10.391 19.035 8.988 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -10.434 18.379 10.050 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -10.672 20.247 8.860 1.00 0.00 O ATOM 0 H ASP A 73 -8.231 16.049 8.115 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.135 16.557 8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.895 18.487 7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.498 18.694 6.874 1.00 0.00 H new ATOM 1225 N ALA A 74 -11.219 16.362 5.637 1.00 0.00 N ATOM 1226 CA ALA A 74 -11.298 15.905 4.260 1.00 0.00 C ATOM 1227 C ALA A 74 -10.712 16.976 3.337 1.00 0.00 C ATOM 1228 O ALA A 74 -10.144 16.658 2.294 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.750 15.569 3.916 1.00 0.00 C ATOM 0 H ALA A 74 -12.082 16.764 6.003 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.712 14.996 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.809 15.226 2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -13.109 14.783 4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.368 16.458 4.039 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.872 18.223 3.756 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.366 19.343 2.980 1.00 0.00 C ATOM 1237 C ASP A 75 -8.859 19.176 2.775 1.00 0.00 C ATOM 1238 O ASP A 75 -8.374 19.217 1.645 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.601 20.668 3.707 1.00 0.00 C ATOM 1240 CG ASP A 75 -11.064 21.822 2.816 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -11.857 21.542 1.892 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -10.614 22.958 3.080 1.00 0.00 O ATOM 0 H ASP A 75 -11.344 18.482 4.622 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.893 19.358 2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.346 20.510 4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.676 20.961 4.204 1.00 0.00 H new ATOM 1247 N ARG A 76 -8.160 18.993 3.885 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.718 18.820 3.842 1.00 0.00 C ATOM 1249 C ARG A 76 -6.349 17.663 2.911 1.00 0.00 C ATOM 1250 O ARG A 76 -5.437 17.785 2.094 1.00 0.00 O ATOM 1251 CB ARG A 76 -6.154 18.543 5.237 1.00 0.00 C ATOM 1252 CG ARG A 76 -5.533 19.805 5.838 1.00 0.00 C ATOM 1253 CD ARG A 76 -6.537 20.959 5.847 1.00 0.00 C ATOM 1254 NE ARG A 76 -7.124 21.109 7.198 1.00 0.00 N ATOM 1255 CZ ARG A 76 -6.443 21.535 8.270 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -5.147 21.857 8.156 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -7.057 21.640 9.456 1.00 0.00 N ATOM 0 H ARG A 76 -8.566 18.961 4.820 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.285 19.746 3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.948 18.179 5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.403 17.756 5.180 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.199 19.601 6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.651 20.090 5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.043 21.884 5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.325 20.772 5.118 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.109 20.873 7.320 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.679 21.778 7.253 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.628 22.181 8.972 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.043 21.396 9.543 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.538 21.964 10.272 1.00 0.00 H new ATOM 1271 N MET A 77 -7.078 16.567 3.065 1.00 0.00 N ATOM 1272 CA MET A 77 -6.839 15.389 2.248 1.00 0.00 C ATOM 1273 C MET A 77 -6.806 15.750 0.761 1.00 0.00 C ATOM 1274 O MET A 77 -6.031 15.178 -0.003 1.00 0.00 O ATOM 1275 CB MET A 77 -7.943 14.361 2.500 1.00 0.00 C ATOM 1276 CG MET A 77 -7.847 13.199 1.508 1.00 0.00 C ATOM 1277 SD MET A 77 -8.535 11.720 2.233 1.00 0.00 S ATOM 1278 CE MET A 77 -10.272 12.014 1.948 1.00 0.00 C ATOM 0 H MET A 77 -7.834 16.470 3.743 1.00 0.00 H new ATOM 0 HA MET A 77 -5.871 14.970 2.522 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.866 13.981 3.519 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.918 14.840 2.411 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.382 13.447 0.591 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.806 13.029 1.234 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.777 12.163 2.902 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.394 12.903 1.330 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.707 11.155 1.438 1.00 0.00 H new