USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 762 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 24 HIS : no HD1:sc= -0.0206 K(o=-1.2,f=-2.2) USER MOD Set 1.2: B 46 MET CE :methyl 163:sc= -1.15 (180deg=-3.34!) USER MOD Set 2.1: A 46 MET CE :methyl 137:sc= -1.25 (180deg=-4.16!) USER MOD Set 2.2: B 24 HIS :FLIP no HD1:sc= -0.347 F(o=-2.6,f=-1.6) USER MOD Set 3.1: A 8 ASN : amide:sc= 1.08 K(o=2.2,f=-5) USER MOD Set 3.2: A 9 LYS NZ :NH3+ -159:sc= 1.16 (180deg=-0.292) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= -0.0585 (180deg=-0.347) USER MOD Single : A 12 ASN : amide:sc= 1.15 K(o=1.1,f=-0.064) USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= 1.12 (180deg=-0.195!) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 1.15 (180deg=1.02) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 30 LYS NZ :NH3+ -160:sc= 2.22 (180deg=1.2) USER MOD Single : A 35 SER OG : rot -80:sc= 1.29 USER MOD Single : A 40 LYS NZ :NH3+ -106:sc= 1.25 (180deg=-0.861) USER MOD Single : A 43 ASN : amide:sc= 1.23 K(o=1.2,f=-0.014) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -152:sc= 1.16 (180deg=-0.195!) USER MOD Single : B 8 ASN : amide:sc= -0.0585 K(o=-0.059,f=-1.2!) USER MOD Single : B 9 LYS NZ :NH3+ 169:sc= -0.0212 (180deg=-0.224) USER MOD Single : B 12 ASN : amide:sc=-0.00584 X(o=-0.0058,f=0) USER MOD Single : B 13 LYS NZ :NH3+ 172:sc= 2.47 (180deg=2.39) USER MOD Single : B 14 LYS NZ :NH3+ 176:sc= 1.78 (180deg=1.65) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0347) USER MOD Single : B 35 SER OG : rot -74:sc= 1.25 USER MOD Single : B 40 LYS NZ :NH3+ 165:sc= -0.0263 (180deg=-0.278) USER MOD Single : B 43 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0031) USER MOD Single : B 44 LYS NZ :NH3+ -169:sc= 1.26 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 16.405 -13.195 3.416 1.00 0.00 N ATOM 60 CA GLN A 5 17.083 -11.958 3.051 1.00 0.00 C ATOM 61 C GLN A 5 16.256 -11.143 2.062 1.00 0.00 C ATOM 62 O GLN A 5 16.377 -9.923 1.983 1.00 0.00 O ATOM 63 CB GLN A 5 18.455 -12.225 2.473 1.00 0.00 C ATOM 64 CG GLN A 5 18.464 -13.075 1.211 1.00 0.00 C ATOM 65 CD GLN A 5 19.836 -13.169 0.587 1.00 0.00 C ATOM 66 OE1 GLN A 5 20.202 -12.355 -0.263 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.609 -14.130 1.009 1.00 0.00 N ATOM 0 HA GLN A 5 17.201 -11.381 3.968 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.933 -11.270 2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 5 19.063 -12.719 3.231 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.107 -14.077 1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.767 -12.652 0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.270 -14.785 1.714 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.553 -14.227 0.634 1.00 0.00 H new ATOM 76 N LEU A 6 15.413 -11.815 1.333 1.00 0.00 N ATOM 77 CA LEU A 6 14.550 -11.168 0.372 1.00 0.00 C ATOM 78 C LEU A 6 13.446 -10.433 1.134 1.00 0.00 C ATOM 79 O LEU A 6 13.175 -9.258 0.888 1.00 0.00 O ATOM 80 CB LEU A 6 14.024 -12.237 -0.635 1.00 0.00 C ATOM 81 CG LEU A 6 13.055 -11.810 -1.762 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.640 -11.642 -1.249 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.535 -10.532 -2.444 1.00 0.00 C ATOM 0 H LEU A 6 15.300 -12.827 1.384 1.00 0.00 H new ATOM 0 HA LEU A 6 15.078 -10.421 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.893 -12.696 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.528 -13.016 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 6 13.047 -12.611 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.989 -11.342 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.289 -12.587 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.623 -10.876 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.835 -10.255 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.592 -9.728 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.521 -10.699 -2.877 1.00 0.00 H new ATOM 95 N LYS A 7 12.881 -11.122 2.108 1.00 0.00 N ATOM 96 CA LYS A 7 11.856 -10.582 2.978 1.00 0.00 C ATOM 97 C LYS A 7 12.456 -9.471 3.818 1.00 0.00 C ATOM 98 O LYS A 7 11.785 -8.517 4.172 1.00 0.00 O ATOM 99 CB LYS A 7 11.305 -11.700 3.868 1.00 0.00 C ATOM 100 CG LYS A 7 9.792 -11.818 3.839 1.00 0.00 C ATOM 101 CD LYS A 7 9.088 -10.649 4.523 1.00 0.00 C ATOM 102 CE LYS A 7 9.293 -10.666 6.026 1.00 0.00 C ATOM 103 NZ LYS A 7 8.705 -11.867 6.659 1.00 0.00 N ATOM 0 H LYS A 7 13.127 -12.089 2.319 1.00 0.00 H new ATOM 0 HA LYS A 7 11.036 -10.173 2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.740 -12.649 3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.627 -11.526 4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.458 -11.880 2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.496 -12.748 4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.464 -9.710 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.021 -10.688 4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.360 -10.628 6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.846 -9.773 6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.640 -11.721 7.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.754 -12.033 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.307 -12.692 6.464 1.00 0.00 H new ATOM 117 N ASN A 8 13.741 -9.609 4.099 1.00 0.00 N ATOM 118 CA ASN A 8 14.533 -8.594 4.789 1.00 0.00 C ATOM 119 C ASN A 8 14.491 -7.298 3.997 1.00 0.00 C ATOM 120 O ASN A 8 14.182 -6.234 4.536 1.00 0.00 O ATOM 121 CB ASN A 8 15.991 -9.081 4.880 1.00 0.00 C ATOM 122 CG ASN A 8 16.996 -8.023 5.295 1.00 0.00 C ATOM 123 OD1 ASN A 8 17.471 -7.251 4.466 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.397 -8.040 6.521 1.00 0.00 N ATOM 0 H ASN A 8 14.276 -10.442 3.852 1.00 0.00 H new ATOM 0 HA ASN A 8 14.130 -8.425 5.788 1.00 0.00 H new ATOM 0 HB2 ASN A 8 16.039 -9.905 5.592 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.286 -9.480 3.910 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.130 -7.400 6.827 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.981 -8.694 7.184 1.00 0.00 H new ATOM 131 N LYS A 9 14.773 -7.399 2.711 1.00 0.00 N ATOM 132 CA LYS A 9 14.787 -6.242 1.847 1.00 0.00 C ATOM 133 C LYS A 9 13.393 -5.678 1.654 1.00 0.00 C ATOM 134 O LYS A 9 13.228 -4.462 1.620 1.00 0.00 O ATOM 135 CB LYS A 9 15.482 -6.543 0.514 1.00 0.00 C ATOM 136 CG LYS A 9 16.962 -6.899 0.665 1.00 0.00 C ATOM 137 CD LYS A 9 17.754 -5.752 1.296 1.00 0.00 C ATOM 138 CE LYS A 9 19.209 -6.127 1.532 1.00 0.00 C ATOM 139 NZ LYS A 9 19.344 -7.280 2.440 1.00 0.00 N ATOM 0 H LYS A 9 14.996 -8.278 2.243 1.00 0.00 H new ATOM 0 HA LYS A 9 15.376 -5.468 2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.966 -7.368 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.390 -5.675 -0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.061 -7.793 1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.381 -7.137 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.706 -4.878 0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.294 -5.471 2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.682 -6.360 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.740 -5.272 1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.298 -7.286 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.638 -7.208 3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.191 -8.161 1.908 1.00 0.00 H new ATOM 153 N ILE A 10 12.395 -6.555 1.555 1.00 0.00 N ATOM 154 CA ILE A 10 11.003 -6.124 1.459 1.00 0.00 C ATOM 155 C ILE A 10 10.635 -5.287 2.679 1.00 0.00 C ATOM 156 O ILE A 10 10.160 -4.162 2.534 1.00 0.00 O ATOM 157 CB ILE A 10 10.011 -7.324 1.319 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.258 -8.068 0.002 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.554 -6.854 1.406 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.323 -9.237 -0.234 1.00 0.00 C ATOM 0 H ILE A 10 12.525 -7.567 1.539 1.00 0.00 H new ATOM 0 HA ILE A 10 10.913 -5.525 0.553 1.00 0.00 H new ATOM 0 HB ILE A 10 10.191 -8.009 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.158 -7.364 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.286 -8.431 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.888 -7.711 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.384 -6.374 2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.353 -6.142 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.564 -9.709 -1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.438 -9.963 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.293 -8.881 -0.256 1.00 0.00 H new ATOM 172 N GLU A 11 10.904 -5.819 3.872 1.00 0.00 N ATOM 173 CA GLU A 11 10.601 -5.109 5.106 1.00 0.00 C ATOM 174 C GLU A 11 11.282 -3.760 5.140 1.00 0.00 C ATOM 175 O GLU A 11 10.624 -2.745 5.309 1.00 0.00 O ATOM 176 CB GLU A 11 10.994 -5.913 6.353 1.00 0.00 C ATOM 177 CG GLU A 11 10.212 -7.199 6.553 1.00 0.00 C ATOM 178 CD GLU A 11 8.724 -6.966 6.583 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.227 -6.313 7.514 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.026 -7.396 5.665 1.00 0.00 O ATOM 0 H GLU A 11 11.330 -6.736 4.005 1.00 0.00 H new ATOM 0 HA GLU A 11 9.520 -4.968 5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.055 -6.155 6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.860 -5.282 7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.452 -7.896 5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.523 -7.669 7.486 1.00 0.00 H new ATOM 187 N ASN A 12 12.580 -3.756 4.910 1.00 0.00 N ATOM 188 CA ASN A 12 13.373 -2.562 4.958 1.00 0.00 C ATOM 189 C ASN A 12 12.922 -1.517 3.953 1.00 0.00 C ATOM 190 O ASN A 12 12.775 -0.355 4.301 1.00 0.00 O ATOM 191 CB ASN A 12 14.846 -2.892 4.750 1.00 0.00 C ATOM 192 CG ASN A 12 15.567 -3.365 6.007 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.101 -2.560 6.768 1.00 0.00 O ATOM 194 ND2 ASN A 12 15.616 -4.656 6.226 1.00 0.00 N ATOM 0 H ASN A 12 13.112 -4.596 4.683 1.00 0.00 H new ATOM 0 HA ASN A 12 13.234 -2.132 5.950 1.00 0.00 H new ATOM 0 HB2 ASN A 12 14.929 -3.665 3.986 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.354 -2.007 4.365 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.106 -5.016 7.045 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.164 -5.301 5.578 1.00 0.00 H new ATOM 201 N LYS A 13 12.648 -1.933 2.730 1.00 0.00 N ATOM 202 CA LYS A 13 12.284 -0.994 1.676 1.00 0.00 C ATOM 203 C LYS A 13 10.893 -0.411 1.928 1.00 0.00 C ATOM 204 O LYS A 13 10.654 0.778 1.704 1.00 0.00 O ATOM 205 CB LYS A 13 12.355 -1.670 0.310 1.00 0.00 C ATOM 206 CG LYS A 13 12.415 -0.700 -0.867 1.00 0.00 C ATOM 207 CD LYS A 13 13.640 0.218 -0.774 1.00 0.00 C ATOM 208 CE LYS A 13 14.952 -0.552 -0.740 1.00 0.00 C ATOM 209 NZ LYS A 13 16.106 0.344 -0.535 1.00 0.00 N ATOM 0 H LYS A 13 12.669 -2.910 2.439 1.00 0.00 H new ATOM 0 HA LYS A 13 12.999 -0.171 1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.234 -2.313 0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.484 -2.315 0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.449 -1.261 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.507 -0.097 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.645 0.898 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.561 0.832 0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.919 -1.292 0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.077 -1.099 -1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.949 -0.067 -0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.905 1.272 -0.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.279 0.460 0.484 1.00 0.00 H new ATOM 223 N LYS A 14 10.001 -1.251 2.410 1.00 0.00 N ATOM 224 CA LYS A 14 8.660 -0.852 2.798 1.00 0.00 C ATOM 225 C LYS A 14 8.739 0.182 3.923 1.00 0.00 C ATOM 226 O LYS A 14 8.062 1.200 3.894 1.00 0.00 O ATOM 227 CB LYS A 14 7.895 -2.096 3.262 1.00 0.00 C ATOM 228 CG LYS A 14 6.562 -1.829 3.953 1.00 0.00 C ATOM 229 CD LYS A 14 5.968 -3.113 4.530 1.00 0.00 C ATOM 230 CE LYS A 14 6.847 -3.720 5.617 1.00 0.00 C ATOM 231 NZ LYS A 14 6.277 -4.971 6.168 1.00 0.00 N ATOM 0 H LYS A 14 10.188 -2.245 2.546 1.00 0.00 H new ATOM 0 HA LYS A 14 8.138 -0.402 1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.714 -2.733 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.532 -2.659 3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.703 -1.101 4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.863 -1.390 3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.981 -2.901 4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.831 -3.839 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.837 -3.923 5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.977 -2.997 6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.865 -5.301 6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.310 -4.793 6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.256 -5.699 5.426 1.00 0.00 H new ATOM 245 N LYS A 15 9.605 -0.079 4.880 1.00 0.00 N ATOM 246 CA LYS A 15 9.809 0.802 6.019 1.00 0.00 C ATOM 247 C LYS A 15 10.466 2.102 5.591 1.00 0.00 C ATOM 248 O LYS A 15 10.155 3.159 6.140 1.00 0.00 O ATOM 249 CB LYS A 15 10.577 0.087 7.137 1.00 0.00 C ATOM 250 CG LYS A 15 9.798 -1.102 7.705 1.00 0.00 C ATOM 251 CD LYS A 15 10.612 -1.945 8.681 1.00 0.00 C ATOM 252 CE LYS A 15 10.861 -1.253 10.007 1.00 0.00 C ATOM 253 NZ LYS A 15 11.595 -2.135 10.936 1.00 0.00 N ATOM 0 H LYS A 15 10.192 -0.913 4.893 1.00 0.00 H new ATOM 0 HA LYS A 15 8.835 1.067 6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.536 -0.260 6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.792 0.794 7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.905 -0.734 8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.462 -1.734 6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.090 -2.885 8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.569 -2.195 8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.430 -0.338 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.910 -0.961 10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.752 -1.638 11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.039 -2.996 11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.512 -2.393 10.518 1.00 0.00 H new ATOM 267 N GLU A 16 11.354 2.023 4.595 1.00 0.00 N ATOM 268 CA GLU A 16 11.933 3.212 3.979 1.00 0.00 C ATOM 269 C GLU A 16 10.822 4.085 3.411 1.00 0.00 C ATOM 270 O GLU A 16 10.832 5.304 3.584 1.00 0.00 O ATOM 271 CB GLU A 16 12.919 2.853 2.854 1.00 0.00 C ATOM 272 CG GLU A 16 14.268 2.328 3.300 1.00 0.00 C ATOM 273 CD GLU A 16 15.160 1.931 2.133 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.302 2.714 1.163 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.761 0.838 2.165 1.00 0.00 O ATOM 0 H GLU A 16 11.686 1.143 4.200 1.00 0.00 H new ATOM 0 HA GLU A 16 12.483 3.750 4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.453 2.104 2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.080 3.740 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.772 3.091 3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.121 1.465 3.949 1.00 0.00 H new ATOM 282 N LEU A 17 9.855 3.443 2.767 1.00 0.00 N ATOM 283 CA LEU A 17 8.718 4.125 2.165 1.00 0.00 C ATOM 284 C LEU A 17 7.838 4.735 3.213 1.00 0.00 C ATOM 285 O LEU A 17 7.367 5.861 3.054 1.00 0.00 O ATOM 286 CB LEU A 17 7.881 3.173 1.346 1.00 0.00 C ATOM 287 CG LEU A 17 6.542 3.730 0.927 1.00 0.00 C ATOM 288 CD1 LEU A 17 6.639 4.690 -0.207 1.00 0.00 C ATOM 289 CD2 LEU A 17 5.540 2.662 0.728 1.00 0.00 C ATOM 0 H LEU A 17 9.838 2.430 2.648 1.00 0.00 H new ATOM 0 HA LEU A 17 9.125 4.905 1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.440 2.891 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.719 2.262 1.922 1.00 0.00 H new ATOM 0 HG LEU A 17 6.173 4.331 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.644 5.055 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.271 5.530 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.073 4.189 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.591 3.105 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.885 1.980 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.405 2.112 1.659 1.00 0.00 H new ATOM 301 N ILE A 18 7.586 3.977 4.264 1.00 0.00 N ATOM 302 CA ILE A 18 6.788 4.449 5.369 1.00 0.00 C ATOM 303 C ILE A 18 7.389 5.738 5.909 1.00 0.00 C ATOM 304 O ILE A 18 6.674 6.666 6.199 1.00 0.00 O ATOM 305 CB ILE A 18 6.654 3.385 6.490 1.00 0.00 C ATOM 306 CG1 ILE A 18 5.949 2.120 5.958 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.859 3.963 7.660 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.034 0.948 6.895 1.00 0.00 C ATOM 0 H ILE A 18 7.929 3.022 4.371 1.00 0.00 H new ATOM 0 HA ILE A 18 5.779 4.643 5.004 1.00 0.00 H new ATOM 0 HB ILE A 18 7.653 3.111 6.828 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.900 2.350 5.770 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.391 1.843 5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.768 3.212 8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.376 4.838 8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.865 4.252 7.317 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.517 0.094 6.457 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.080 0.692 7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.566 1.207 7.845 1.00 0.00 H new ATOM 320 N GLN A 19 8.714 5.785 5.981 1.00 0.00 N ATOM 321 CA GLN A 19 9.434 6.995 6.369 1.00 0.00 C ATOM 322 C GLN A 19 9.083 8.166 5.430 1.00 0.00 C ATOM 323 O GLN A 19 8.839 9.282 5.897 1.00 0.00 O ATOM 324 CB GLN A 19 10.929 6.759 6.329 1.00 0.00 C ATOM 325 CG GLN A 19 11.441 5.715 7.294 1.00 0.00 C ATOM 326 CD GLN A 19 12.920 5.453 7.098 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.677 6.350 6.690 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.346 4.252 7.368 1.00 0.00 N ATOM 0 H GLN A 19 9.319 4.990 5.773 1.00 0.00 H new ATOM 0 HA GLN A 19 9.133 7.248 7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.207 6.463 5.317 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.435 7.702 6.536 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.262 6.045 8.317 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.885 4.788 7.156 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.693 3.542 7.701 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.332 4.021 7.246 1.00 0.00 H new ATOM 337 N LEU A 20 9.044 7.898 4.108 1.00 0.00 N ATOM 338 CA LEU A 20 8.668 8.930 3.139 1.00 0.00 C ATOM 339 C LEU A 20 7.235 9.414 3.370 1.00 0.00 C ATOM 340 O LEU A 20 7.006 10.622 3.484 1.00 0.00 O ATOM 341 CB LEU A 20 8.816 8.520 1.644 1.00 0.00 C ATOM 342 CG LEU A 20 10.201 8.511 0.965 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.983 9.774 1.215 1.00 0.00 C ATOM 344 CD2 LEU A 20 10.999 7.270 1.245 1.00 0.00 C ATOM 0 H LEU A 20 9.265 6.990 3.699 1.00 0.00 H new ATOM 0 HA LEU A 20 9.386 9.730 3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.403 7.516 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.178 9.187 1.064 1.00 0.00 H new ATOM 0 HG LEU A 20 9.995 8.487 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.948 9.710 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.428 10.628 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.139 9.899 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.961 7.333 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.162 7.177 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.454 6.398 0.884 1.00 0.00 H new ATOM 356 N VAL A 21 6.259 8.490 3.438 1.00 0.00 N ATOM 357 CA VAL A 21 4.893 8.898 3.633 1.00 0.00 C ATOM 358 C VAL A 21 4.690 9.547 5.030 1.00 0.00 C ATOM 359 O VAL A 21 3.855 10.418 5.203 1.00 0.00 O ATOM 360 CB VAL A 21 3.885 7.736 3.410 1.00 0.00 C ATOM 361 CG1 VAL A 21 4.266 6.835 2.265 1.00 0.00 C ATOM 362 CG2 VAL A 21 3.570 6.965 4.643 1.00 0.00 C ATOM 0 H VAL A 21 6.404 7.483 3.361 1.00 0.00 H new ATOM 0 HA VAL A 21 4.684 9.650 2.872 1.00 0.00 H new ATOM 0 HB VAL A 21 2.957 8.232 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.523 6.044 2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.309 7.416 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.242 6.392 2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.860 6.172 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.485 6.526 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.134 7.631 5.387 1.00 0.00 H new ATOM 372 N ALA A 22 5.457 9.102 6.012 1.00 0.00 N ATOM 373 CA ALA A 22 5.369 9.624 7.356 1.00 0.00 C ATOM 374 C ALA A 22 5.837 11.070 7.427 1.00 0.00 C ATOM 375 O ALA A 22 5.124 11.931 7.952 1.00 0.00 O ATOM 376 CB ALA A 22 6.140 8.749 8.323 1.00 0.00 C ATOM 0 H ALA A 22 6.156 8.369 5.895 1.00 0.00 H new ATOM 0 HA ALA A 22 4.319 9.610 7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.060 9.161 9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.727 7.740 8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.188 8.716 8.027 1.00 0.00 H new ATOM 382 N ARG A 23 7.007 11.352 6.835 1.00 0.00 N ATOM 383 CA ARG A 23 7.577 12.706 6.836 1.00 0.00 C ATOM 384 C ARG A 23 6.694 13.678 6.048 1.00 0.00 C ATOM 385 O ARG A 23 6.810 14.897 6.197 1.00 0.00 O ATOM 386 CB ARG A 23 9.035 12.727 6.327 1.00 0.00 C ATOM 387 CG ARG A 23 9.215 12.344 4.866 1.00 0.00 C ATOM 388 CD ARG A 23 10.685 12.275 4.465 1.00 0.00 C ATOM 389 NE ARG A 23 11.418 11.243 5.217 1.00 0.00 N ATOM 390 CZ ARG A 23 12.506 10.575 4.789 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.037 10.821 3.584 1.00 0.00 N ATOM 392 NH2 ARG A 23 13.065 9.667 5.581 1.00 0.00 N ATOM 0 H ARG A 23 7.577 10.659 6.349 1.00 0.00 H new ATOM 0 HA ARG A 23 7.602 13.042 7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.441 13.727 6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.627 12.048 6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.745 11.377 4.685 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.702 13.071 4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.759 12.066 3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.152 13.245 4.633 1.00 0.00 H new ATOM 0 HE ARG A 23 11.070 11.013 6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.617 11.523 2.975 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.861 10.306 3.275 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.670 9.482 6.503 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.889 9.155 5.267 1.00 0.00 H new ATOM 406 N HIS A 24 5.837 13.119 5.197 1.00 0.00 N ATOM 407 CA HIS A 24 4.853 13.874 4.435 1.00 0.00 C ATOM 408 C HIS A 24 3.968 14.713 5.375 1.00 0.00 C ATOM 409 O HIS A 24 3.714 15.883 5.111 1.00 0.00 O ATOM 410 CB HIS A 24 3.968 12.904 3.609 1.00 0.00 C ATOM 411 CG HIS A 24 2.833 13.547 2.854 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.603 13.859 3.411 1.00 0.00 N ATOM 413 CD2 HIS A 24 2.765 13.948 1.571 1.00 0.00 C ATOM 414 CE1 HIS A 24 0.862 14.426 2.468 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.520 14.504 1.332 1.00 0.00 N ATOM 0 H HIS A 24 5.808 12.115 5.017 1.00 0.00 H new ATOM 0 HA HIS A 24 5.380 14.547 3.759 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.603 12.377 2.897 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.554 12.154 4.283 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.557 13.851 0.843 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.149 14.777 2.614 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.182 14.895 0.453 1.00 0.00 H new ATOM 423 N GLY A 25 3.546 14.120 6.480 1.00 0.00 N ATOM 424 CA GLY A 25 2.646 14.820 7.368 1.00 0.00 C ATOM 425 C GLY A 25 1.846 13.904 8.257 1.00 0.00 C ATOM 426 O GLY A 25 1.118 14.374 9.133 1.00 0.00 O ATOM 0 H GLY A 25 3.807 13.179 6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.222 15.505 7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.962 15.427 6.775 1.00 0.00 H new ATOM 430 N LEU A 26 1.933 12.608 8.008 1.00 0.00 N ATOM 431 CA LEU A 26 1.270 11.624 8.814 1.00 0.00 C ATOM 432 C LEU A 26 1.642 11.697 10.273 1.00 0.00 C ATOM 433 O LEU A 26 2.799 11.943 10.637 1.00 0.00 O ATOM 434 CB LEU A 26 1.549 10.228 8.306 1.00 0.00 C ATOM 435 CG LEU A 26 0.659 9.712 7.193 1.00 0.00 C ATOM 436 CD1 LEU A 26 0.803 10.459 5.896 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.838 8.233 7.022 1.00 0.00 C ATOM 0 H LEU A 26 2.471 12.218 7.234 1.00 0.00 H new ATOM 0 HA LEU A 26 0.207 11.849 8.731 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.581 10.194 7.958 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.473 9.539 9.148 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.368 9.903 7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.133 10.028 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.549 11.508 6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.832 10.383 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.192 7.879 6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.877 8.019 6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.575 7.725 7.950 1.00 0.00 H new ATOM 449 N ASP A 27 0.649 11.477 11.091 1.00 0.00 N ATOM 450 CA ASP A 27 0.821 11.423 12.536 1.00 0.00 C ATOM 451 C ASP A 27 1.416 10.072 12.840 1.00 0.00 C ATOM 452 O ASP A 27 1.328 9.169 11.996 1.00 0.00 O ATOM 453 CB ASP A 27 -0.542 11.496 13.261 1.00 0.00 C ATOM 454 CG ASP A 27 -1.447 12.601 12.780 1.00 0.00 C ATOM 455 OD1 ASP A 27 -1.179 13.786 13.065 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.467 12.295 12.107 1.00 0.00 O ATOM 0 H ASP A 27 -0.312 11.328 10.782 1.00 0.00 H new ATOM 0 HA ASP A 27 1.442 12.256 12.866 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.056 10.543 13.138 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.365 11.627 14.328 1.00 0.00 H new ATOM 461 N HIS A 28 1.970 9.884 14.023 1.00 0.00 N ATOM 462 CA HIS A 28 2.519 8.571 14.397 1.00 0.00 C ATOM 463 C HIS A 28 1.420 7.528 14.353 1.00 0.00 C ATOM 464 O HIS A 28 1.643 6.398 13.947 1.00 0.00 O ATOM 465 CB HIS A 28 3.174 8.580 15.781 1.00 0.00 C ATOM 466 CG HIS A 28 4.394 9.438 15.886 1.00 0.00 C ATOM 467 ND1 HIS A 28 4.498 10.516 16.726 1.00 0.00 N ATOM 468 CD2 HIS A 28 5.587 9.339 15.257 1.00 0.00 C ATOM 469 CE1 HIS A 28 5.715 11.033 16.592 1.00 0.00 C ATOM 470 NE2 HIS A 28 6.424 10.355 15.709 1.00 0.00 N ATOM 0 H HIS A 28 2.057 10.604 14.740 1.00 0.00 H new ATOM 0 HA HIS A 28 3.298 8.327 13.675 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.442 8.921 16.513 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.440 7.558 16.049 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.848 8.592 14.522 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.076 11.894 17.134 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.385 10.537 15.419 1.00 0.00 H new ATOM 478 N ASP A 29 0.221 7.960 14.718 1.00 0.00 N ATOM 479 CA ASP A 29 -1.002 7.161 14.660 1.00 0.00 C ATOM 480 C ASP A 29 -1.233 6.659 13.259 1.00 0.00 C ATOM 481 O ASP A 29 -1.495 5.484 13.039 1.00 0.00 O ATOM 482 CB ASP A 29 -2.181 8.034 15.109 1.00 0.00 C ATOM 483 CG ASP A 29 -3.538 7.516 14.689 1.00 0.00 C ATOM 484 OD1 ASP A 29 -4.036 6.544 15.282 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.158 8.125 13.773 1.00 0.00 O ATOM 0 H ASP A 29 0.064 8.903 15.073 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.908 6.298 15.319 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.159 8.121 16.195 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.048 9.038 14.706 1.00 0.00 H new ATOM 490 N LYS A 30 -1.052 7.543 12.310 1.00 0.00 N ATOM 491 CA LYS A 30 -1.256 7.227 10.923 1.00 0.00 C ATOM 492 C LYS A 30 -0.212 6.254 10.448 1.00 0.00 C ATOM 493 O LYS A 30 -0.515 5.337 9.718 1.00 0.00 O ATOM 494 CB LYS A 30 -1.219 8.484 10.074 1.00 0.00 C ATOM 495 CG LYS A 30 -2.287 9.493 10.412 1.00 0.00 C ATOM 496 CD LYS A 30 -3.678 8.922 10.256 1.00 0.00 C ATOM 497 CE LYS A 30 -4.722 9.912 10.742 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.482 10.302 12.154 1.00 0.00 N ATOM 0 H LYS A 30 -0.758 8.505 12.481 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.239 6.768 10.820 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.242 8.955 10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.320 8.203 9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.149 9.836 11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.179 10.365 9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.861 8.677 9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.760 7.993 10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.706 10.800 10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.715 9.472 10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.357 10.689 12.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.186 9.467 12.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.734 11.023 12.193 1.00 0.00 H new ATOM 512 N VAL A 31 1.001 6.438 10.918 1.00 0.00 N ATOM 513 CA VAL A 31 2.113 5.586 10.558 1.00 0.00 C ATOM 514 C VAL A 31 1.872 4.171 11.078 1.00 0.00 C ATOM 515 O VAL A 31 2.146 3.188 10.389 1.00 0.00 O ATOM 516 CB VAL A 31 3.451 6.169 11.093 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.633 5.282 10.751 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.657 7.562 10.531 1.00 0.00 C ATOM 0 H VAL A 31 1.246 7.188 11.565 1.00 0.00 H new ATOM 0 HA VAL A 31 2.190 5.543 9.472 1.00 0.00 H new ATOM 0 HB VAL A 31 3.388 6.216 12.180 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.547 5.727 11.144 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.489 4.297 11.195 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.713 5.184 9.668 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.595 7.971 10.906 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.692 7.514 9.443 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.832 8.204 10.840 1.00 0.00 H new ATOM 528 N LEU A 32 1.317 4.082 12.268 1.00 0.00 N ATOM 529 CA LEU A 32 0.959 2.811 12.880 1.00 0.00 C ATOM 530 C LEU A 32 -0.109 2.097 12.068 1.00 0.00 C ATOM 531 O LEU A 32 0.023 0.917 11.752 1.00 0.00 O ATOM 532 CB LEU A 32 0.476 3.038 14.306 1.00 0.00 C ATOM 533 CG LEU A 32 1.497 3.660 15.252 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.871 3.940 16.591 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.710 2.757 15.405 1.00 0.00 C ATOM 0 H LEU A 32 1.098 4.893 12.846 1.00 0.00 H new ATOM 0 HA LEU A 32 1.846 2.178 12.901 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.404 3.680 14.275 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.158 2.081 14.720 1.00 0.00 H new ATOM 0 HG LEU A 32 1.830 4.605 14.823 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.614 4.384 17.254 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.037 4.631 16.466 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.508 3.008 17.025 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.425 3.221 16.084 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.398 1.794 15.809 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.178 2.608 14.432 1.00 0.00 H new ATOM 547 N LEU A 33 -1.135 2.822 11.698 1.00 0.00 N ATOM 548 CA LEU A 33 -2.239 2.260 10.934 1.00 0.00 C ATOM 549 C LEU A 33 -1.797 1.913 9.517 1.00 0.00 C ATOM 550 O LEU A 33 -2.223 0.902 8.951 1.00 0.00 O ATOM 551 CB LEU A 33 -3.379 3.253 10.868 1.00 0.00 C ATOM 552 CG LEU A 33 -3.887 3.797 12.196 1.00 0.00 C ATOM 553 CD1 LEU A 33 -4.881 4.908 11.956 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.505 2.697 13.049 1.00 0.00 C ATOM 0 H LEU A 33 -1.236 3.814 11.913 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.569 1.350 11.435 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.062 4.096 10.254 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.214 2.779 10.352 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.035 4.198 12.745 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.238 5.290 12.913 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.400 5.713 11.401 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.724 4.524 11.381 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.857 3.120 13.990 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.344 2.251 12.515 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.757 1.931 13.253 1.00 0.00 H new ATOM 566 N PHE A 34 -0.963 2.761 8.956 1.00 0.00 N ATOM 567 CA PHE A 34 -0.440 2.584 7.616 1.00 0.00 C ATOM 568 C PHE A 34 0.443 1.359 7.538 1.00 0.00 C ATOM 569 O PHE A 34 0.208 0.484 6.720 1.00 0.00 O ATOM 570 CB PHE A 34 0.334 3.842 7.182 1.00 0.00 C ATOM 571 CG PHE A 34 1.014 3.748 5.846 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.282 3.667 4.685 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.392 3.738 5.758 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.904 3.581 3.464 1.00 0.00 C ATOM 575 CE2 PHE A 34 3.018 3.651 4.536 1.00 0.00 C ATOM 576 CZ PHE A 34 2.274 3.576 3.388 1.00 0.00 C ATOM 0 H PHE A 34 -0.624 3.603 9.422 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.277 2.435 6.934 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.357 4.685 7.161 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.086 4.065 7.939 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.797 3.671 4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.985 3.799 6.659 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.314 3.517 2.562 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.097 3.642 4.482 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.764 3.513 2.427 1.00 0.00 H new ATOM 586 N SER A 35 1.417 1.276 8.433 1.00 0.00 N ATOM 587 CA SER A 35 2.390 0.202 8.418 1.00 0.00 C ATOM 588 C SER A 35 1.741 -1.176 8.558 1.00 0.00 C ATOM 589 O SER A 35 2.149 -2.122 7.889 1.00 0.00 O ATOM 590 CB SER A 35 3.452 0.432 9.496 1.00 0.00 C ATOM 591 OG SER A 35 2.851 0.623 10.767 1.00 0.00 O ATOM 0 H SER A 35 1.552 1.951 9.186 1.00 0.00 H new ATOM 0 HA SER A 35 2.876 0.214 7.443 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.128 -0.422 9.534 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.054 1.304 9.239 1.00 0.00 H new ATOM 0 HG SER A 35 2.528 1.545 10.841 1.00 0.00 H new ATOM 597 N ARG A 36 0.723 -1.281 9.399 1.00 0.00 N ATOM 598 CA ARG A 36 0.056 -2.553 9.611 1.00 0.00 C ATOM 599 C ARG A 36 -0.845 -2.936 8.424 1.00 0.00 C ATOM 600 O ARG A 36 -0.891 -4.096 8.026 1.00 0.00 O ATOM 601 CB ARG A 36 -0.697 -2.561 10.943 1.00 0.00 C ATOM 602 CG ARG A 36 -1.814 -1.546 11.055 1.00 0.00 C ATOM 603 CD ARG A 36 -2.308 -1.435 12.479 1.00 0.00 C ATOM 604 NE ARG A 36 -2.794 -2.721 13.000 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.212 -2.933 14.248 1.00 0.00 C ATOM 606 NH1 ARG A 36 -3.253 -1.936 15.118 1.00 0.00 N ATOM 607 NH2 ARG A 36 -3.604 -4.146 14.621 1.00 0.00 N ATOM 0 H ARG A 36 0.344 -0.505 9.942 1.00 0.00 H new ATOM 0 HA ARG A 36 0.823 -3.325 9.669 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.114 -3.556 11.101 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.017 -2.383 11.747 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.461 -0.573 10.712 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.638 -1.834 10.402 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.501 -1.069 13.114 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.110 -0.699 12.527 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.813 -3.512 12.357 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.964 -1.000 14.835 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.574 -2.104 16.072 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.585 -4.916 13.952 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.924 -4.307 15.576 1.00 0.00 H new ATOM 621 N ASP A 37 -1.518 -1.949 7.836 1.00 0.00 N ATOM 622 CA ASP A 37 -2.407 -2.185 6.669 1.00 0.00 C ATOM 623 C ASP A 37 -1.562 -2.549 5.467 1.00 0.00 C ATOM 624 O ASP A 37 -1.892 -3.434 4.685 1.00 0.00 O ATOM 625 CB ASP A 37 -3.239 -0.917 6.393 1.00 0.00 C ATOM 626 CG ASP A 37 -4.256 -0.980 5.243 1.00 0.00 C ATOM 627 OD1 ASP A 37 -4.657 -2.082 4.824 1.00 0.00 O ATOM 628 OD2 ASP A 37 -4.735 0.106 4.808 1.00 0.00 O ATOM 0 H ASP A 37 -1.474 -0.976 8.138 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.092 -3.007 6.877 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.777 -0.661 7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.549 -0.098 6.189 1.00 0.00 H new ATOM 633 N LEU A 38 -0.453 -1.891 5.367 1.00 0.00 N ATOM 634 CA LEU A 38 0.502 -2.130 4.328 1.00 0.00 C ATOM 635 C LEU A 38 1.127 -3.508 4.485 1.00 0.00 C ATOM 636 O LEU A 38 1.255 -4.250 3.520 1.00 0.00 O ATOM 637 CB LEU A 38 1.525 -0.999 4.367 1.00 0.00 C ATOM 638 CG LEU A 38 2.753 -1.060 3.470 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.407 -1.446 2.068 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.361 0.299 3.448 1.00 0.00 C ATOM 0 H LEU A 38 -0.177 -1.156 6.018 1.00 0.00 H new ATOM 0 HA LEU A 38 0.027 -2.133 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.997 -0.075 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.877 -0.914 5.395 1.00 0.00 H new ATOM 0 HG LEU A 38 3.436 -1.813 3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.314 -1.477 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.937 -2.430 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.717 -0.714 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.246 0.291 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.639 1.014 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.644 0.588 4.460 1.00 0.00 H new ATOM 652 N ASP A 39 1.445 -3.864 5.711 1.00 0.00 N ATOM 653 CA ASP A 39 2.038 -5.162 6.008 1.00 0.00 C ATOM 654 C ASP A 39 1.069 -6.274 5.645 1.00 0.00 C ATOM 655 O ASP A 39 1.448 -7.283 5.029 1.00 0.00 O ATOM 656 CB ASP A 39 2.385 -5.258 7.491 1.00 0.00 C ATOM 657 CG ASP A 39 3.174 -6.492 7.834 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.425 -6.446 7.723 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.574 -7.514 8.248 1.00 0.00 O ATOM 0 H ASP A 39 1.303 -3.271 6.529 1.00 0.00 H new ATOM 0 HA ASP A 39 2.949 -5.268 5.419 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.956 -4.376 7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.465 -5.249 8.075 1.00 0.00 H new ATOM 664 N LYS A 40 -0.198 -6.063 5.972 1.00 0.00 N ATOM 665 CA LYS A 40 -1.211 -7.063 5.731 1.00 0.00 C ATOM 666 C LYS A 40 -1.507 -7.223 4.252 1.00 0.00 C ATOM 667 O LYS A 40 -1.830 -8.320 3.787 1.00 0.00 O ATOM 668 CB LYS A 40 -2.482 -6.790 6.529 1.00 0.00 C ATOM 669 CG LYS A 40 -3.389 -5.669 6.071 1.00 0.00 C ATOM 670 CD LYS A 40 -4.596 -5.582 7.002 1.00 0.00 C ATOM 671 CE LYS A 40 -5.500 -4.393 6.707 1.00 0.00 C ATOM 672 NZ LYS A 40 -5.952 -4.351 5.306 1.00 0.00 N ATOM 0 H LYS A 40 -0.542 -5.206 6.405 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.806 -8.012 6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.069 -7.708 6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.190 -6.582 7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.846 -4.724 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.717 -5.847 5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.177 -6.501 6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.247 -5.517 8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.370 -4.432 7.363 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.967 -3.471 6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.443 -3.598 4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.759 -5.266 4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.974 -4.159 5.276 1.00 0.00 H new ATOM 686 N LEU A 41 -1.395 -6.138 3.522 1.00 0.00 N ATOM 687 CA LEU A 41 -1.586 -6.160 2.089 1.00 0.00 C ATOM 688 C LEU A 41 -0.472 -6.935 1.422 1.00 0.00 C ATOM 689 O LEU A 41 -0.702 -7.689 0.470 1.00 0.00 O ATOM 690 CB LEU A 41 -1.639 -4.741 1.528 1.00 0.00 C ATOM 691 CG LEU A 41 -1.675 -4.626 -0.012 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.882 -5.337 -0.602 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.632 -3.174 -0.448 1.00 0.00 C ATOM 0 H LEU A 41 -1.170 -5.218 3.902 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.536 -6.652 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.522 -4.244 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.770 -4.194 1.894 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.785 -5.124 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.871 -5.233 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.846 -6.394 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.795 -4.894 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.658 -3.120 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.492 -2.645 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.714 -2.712 -0.084 1.00 0.00 H new ATOM 705 N ILE A 42 0.708 -6.798 1.950 1.00 0.00 N ATOM 706 CA ILE A 42 1.849 -7.436 1.341 1.00 0.00 C ATOM 707 C ILE A 42 1.811 -8.923 1.595 1.00 0.00 C ATOM 708 O ILE A 42 1.837 -9.702 0.655 1.00 0.00 O ATOM 709 CB ILE A 42 3.196 -6.812 1.768 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.219 -5.346 1.363 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.359 -7.546 1.107 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.462 -4.619 1.771 1.00 0.00 C ATOM 0 H ILE A 42 0.910 -6.258 2.791 1.00 0.00 H new ATOM 0 HA ILE A 42 1.780 -7.264 0.267 1.00 0.00 H new ATOM 0 HB ILE A 42 3.301 -6.899 2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.109 -5.277 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.357 -4.845 1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.300 -7.093 1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.344 -8.594 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.265 -7.476 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.400 -3.581 1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.564 -4.654 2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.329 -5.093 1.310 1.00 0.00 H new ATOM 724 N ASN A 43 1.658 -9.306 2.857 1.00 0.00 N ATOM 725 CA ASN A 43 1.550 -10.727 3.258 1.00 0.00 C ATOM 726 C ASN A 43 0.444 -11.444 2.501 1.00 0.00 C ATOM 727 O ASN A 43 0.566 -12.631 2.179 1.00 0.00 O ATOM 728 CB ASN A 43 1.336 -10.880 4.766 1.00 0.00 C ATOM 729 CG ASN A 43 2.601 -10.671 5.577 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.338 -11.622 5.850 1.00 0.00 O ATOM 731 ND2 ASN A 43 2.868 -9.457 5.976 1.00 0.00 N ATOM 0 H ASN A 43 1.604 -8.652 3.638 1.00 0.00 H new ATOM 0 HA ASN A 43 2.501 -11.192 2.999 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.581 -10.165 5.093 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.942 -11.875 4.971 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.705 -9.275 6.529 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.239 -8.691 5.734 1.00 0.00 H new ATOM 738 N LYS A 44 -0.603 -10.693 2.170 1.00 0.00 N ATOM 739 CA LYS A 44 -1.723 -11.183 1.383 1.00 0.00 C ATOM 740 C LYS A 44 -1.229 -11.708 0.036 1.00 0.00 C ATOM 741 O LYS A 44 -1.559 -12.822 -0.373 1.00 0.00 O ATOM 742 CB LYS A 44 -2.694 -10.037 1.146 1.00 0.00 C ATOM 743 CG LYS A 44 -3.899 -10.384 0.282 1.00 0.00 C ATOM 744 CD LYS A 44 -4.729 -9.149 -0.047 1.00 0.00 C ATOM 745 CE LYS A 44 -5.213 -8.462 1.209 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.107 -7.333 0.917 1.00 0.00 N ATOM 0 H LYS A 44 -0.695 -9.715 2.446 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.216 -11.993 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.049 -9.676 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.154 -9.214 0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.561 -10.853 -0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.521 -11.113 0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.132 -8.454 -0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.584 -9.435 -0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.736 -9.184 1.837 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.355 -8.105 1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.413 -6.893 1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.602 -6.631 0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.939 -7.675 0.396 1.00 0.00 H new ATOM 760 N PHE A 45 -0.417 -10.910 -0.622 1.00 0.00 N ATOM 761 CA PHE A 45 0.121 -11.254 -1.923 1.00 0.00 C ATOM 762 C PHE A 45 1.311 -12.197 -1.825 1.00 0.00 C ATOM 763 O PHE A 45 1.574 -12.967 -2.742 1.00 0.00 O ATOM 764 CB PHE A 45 0.501 -10.003 -2.704 1.00 0.00 C ATOM 765 CG PHE A 45 -0.657 -9.300 -3.351 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.519 -8.497 -2.620 1.00 0.00 C ATOM 767 CD2 PHE A 45 -0.883 -9.452 -4.708 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.578 -7.862 -3.236 1.00 0.00 C ATOM 769 CE2 PHE A 45 -1.935 -8.822 -5.326 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.785 -8.026 -4.592 1.00 0.00 C ATOM 0 H PHE A 45 -0.110 -10.003 -0.271 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.669 -11.779 -2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.002 -9.308 -2.031 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.222 -10.276 -3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.360 -8.367 -1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.221 -10.076 -5.290 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.244 -7.238 -2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.095 -8.951 -6.386 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.613 -7.530 -5.076 1.00 0.00 H new ATOM 780 N MET A 46 2.029 -12.126 -0.725 1.00 0.00 N ATOM 781 CA MET A 46 3.194 -12.980 -0.503 1.00 0.00 C ATOM 782 C MET A 46 2.777 -14.426 -0.317 1.00 0.00 C ATOM 783 O MET A 46 3.507 -15.331 -0.710 1.00 0.00 O ATOM 784 CB MET A 46 3.977 -12.537 0.727 1.00 0.00 C ATOM 785 CG MET A 46 4.451 -11.105 0.687 1.00 0.00 C ATOM 786 SD MET A 46 5.467 -10.668 2.097 1.00 0.00 S ATOM 787 CE MET A 46 6.900 -11.662 1.761 1.00 0.00 C ATOM 0 H MET A 46 1.830 -11.482 0.041 1.00 0.00 H new ATOM 0 HA MET A 46 3.827 -12.891 -1.386 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.351 -12.674 1.609 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.842 -13.189 0.845 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.019 -10.941 -0.229 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.587 -10.442 0.649 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.801 -11.078 1.952 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.893 -12.540 2.407 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.887 -11.979 0.718 1.00 0.00 H new ATOM 1151 N LEU B 6 8.901 15.195 -3.131 1.00 0.00 N ATOM 1152 CA LEU B 6 8.737 14.309 -1.981 1.00 0.00 C ATOM 1153 C LEU B 6 7.750 13.188 -2.324 1.00 0.00 C ATOM 1154 O LEU B 6 8.016 12.010 -2.069 1.00 0.00 O ATOM 1155 CB LEU B 6 8.279 15.162 -0.744 1.00 0.00 C ATOM 1156 CG LEU B 6 7.914 14.458 0.601 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.527 13.826 0.566 1.00 0.00 C ATOM 1158 CD2 LEU B 6 8.968 13.430 0.993 1.00 0.00 C ATOM 0 HA LEU B 6 9.682 13.829 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.075 15.875 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.408 15.740 -1.054 1.00 0.00 H new ATOM 0 HG LEU B 6 7.895 15.235 1.365 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.320 13.349 1.524 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.780 14.597 0.376 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.487 13.079 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.684 12.958 1.934 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.043 12.671 0.214 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.932 13.925 1.112 1.00 0.00 H new ATOM 1170 N LYS B 7 6.650 13.564 -2.945 1.00 0.00 N ATOM 1171 CA LYS B 7 5.608 12.635 -3.341 1.00 0.00 C ATOM 1172 C LYS B 7 6.169 11.640 -4.356 1.00 0.00 C ATOM 1173 O LYS B 7 5.840 10.459 -4.338 1.00 0.00 O ATOM 1174 CB LYS B 7 4.448 13.422 -3.947 1.00 0.00 C ATOM 1175 CG LYS B 7 3.052 12.935 -3.542 1.00 0.00 C ATOM 1176 CD LYS B 7 2.651 11.591 -4.150 1.00 0.00 C ATOM 1177 CE LYS B 7 2.505 11.677 -5.661 1.00 0.00 C ATOM 1178 NZ LYS B 7 1.975 10.430 -6.243 1.00 0.00 N ATOM 0 H LYS B 7 6.451 14.533 -3.192 1.00 0.00 H new ATOM 0 HA LYS B 7 5.250 12.080 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS B 7 4.549 14.468 -3.659 1.00 0.00 H new ATOM 0 HB3 LYS B 7 4.529 13.381 -5.033 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.009 12.856 -2.456 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.319 13.686 -3.836 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.400 10.840 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS B 7 1.709 11.260 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.841 12.504 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.475 11.900 -6.106 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.317 10.330 -7.220 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.298 9.619 -5.678 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 0.935 10.461 -6.241 1.00 0.00 H new ATOM 1192 N ASN B 8 7.048 12.120 -5.211 1.00 0.00 N ATOM 1193 CA ASN B 8 7.681 11.280 -6.211 1.00 0.00 C ATOM 1194 C ASN B 8 8.774 10.399 -5.616 1.00 0.00 C ATOM 1195 O ASN B 8 9.154 9.387 -6.208 1.00 0.00 O ATOM 1196 CB ASN B 8 8.205 12.091 -7.393 1.00 0.00 C ATOM 1197 CG ASN B 8 7.101 12.576 -8.318 1.00 0.00 C ATOM 1198 OD1 ASN B 8 6.057 11.922 -8.465 1.00 0.00 O ATOM 1199 ND2 ASN B 8 7.317 13.695 -8.953 1.00 0.00 N ATOM 0 H ASN B 8 7.343 13.096 -5.234 1.00 0.00 H new ATOM 0 HA ASN B 8 6.904 10.617 -6.591 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.761 12.950 -7.019 1.00 0.00 H new ATOM 0 HB3 ASN B 8 8.906 11.481 -7.962 1.00 0.00 H new ATOM 0 HD21 ASN B 8 6.615 14.060 -9.596 1.00 0.00 H new ATOM 0 HD22 ASN B 8 8.188 14.205 -8.806 1.00 0.00 H new ATOM 1206 N LYS B 9 9.285 10.777 -4.454 1.00 0.00 N ATOM 1207 CA LYS B 9 10.239 9.939 -3.724 1.00 0.00 C ATOM 1208 C LYS B 9 9.469 8.795 -3.089 1.00 0.00 C ATOM 1209 O LYS B 9 9.953 7.663 -3.011 1.00 0.00 O ATOM 1210 CB LYS B 9 10.986 10.738 -2.643 1.00 0.00 C ATOM 1211 CG LYS B 9 11.824 11.895 -3.172 1.00 0.00 C ATOM 1212 CD LYS B 9 12.954 11.422 -4.079 1.00 0.00 C ATOM 1213 CE LYS B 9 13.740 12.600 -4.644 1.00 0.00 C ATOM 1214 NZ LYS B 9 14.337 13.434 -3.581 1.00 0.00 N ATOM 0 H LYS B 9 9.058 11.658 -3.992 1.00 0.00 H new ATOM 0 HA LYS B 9 10.989 9.562 -4.419 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.258 11.129 -1.932 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.636 10.058 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.183 12.583 -3.723 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.243 12.451 -2.333 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.624 10.770 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.543 10.830 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.529 12.228 -5.298 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.081 13.214 -5.258 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.009 14.106 -4.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.586 13.959 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.837 12.825 -2.902 1.00 0.00 H new ATOM 1228 N ILE B 10 8.258 9.112 -2.653 1.00 0.00 N ATOM 1229 CA ILE B 10 7.313 8.135 -2.138 1.00 0.00 C ATOM 1230 C ILE B 10 6.998 7.138 -3.229 1.00 0.00 C ATOM 1231 O ILE B 10 7.080 5.936 -3.011 1.00 0.00 O ATOM 1232 CB ILE B 10 6.020 8.839 -1.630 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.362 9.640 -0.380 1.00 0.00 C ATOM 1234 CG2 ILE B 10 4.893 7.837 -1.359 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.269 10.501 0.161 1.00 0.00 C ATOM 0 H ILE B 10 7.901 10.067 -2.648 1.00 0.00 H new ATOM 0 HA ILE B 10 7.752 7.610 -1.290 1.00 0.00 H new ATOM 0 HB ILE B 10 5.651 9.510 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE B 10 6.671 8.945 0.401 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.221 10.273 -0.601 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.010 8.370 -1.006 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.652 7.303 -2.278 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.214 7.125 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.624 11.024 1.049 1.00 0.00 H new ATOM 0 HD12 ILE B 10 4.972 11.229 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.413 9.880 0.423 1.00 0.00 H new ATOM 1247 N GLU B 11 6.685 7.651 -4.417 1.00 0.00 N ATOM 1248 CA GLU B 11 6.452 6.813 -5.579 1.00 0.00 C ATOM 1249 C GLU B 11 7.644 5.900 -5.801 1.00 0.00 C ATOM 1250 O GLU B 11 7.496 4.691 -5.871 1.00 0.00 O ATOM 1251 CB GLU B 11 6.232 7.659 -6.836 1.00 0.00 C ATOM 1252 CG GLU B 11 5.024 8.570 -6.784 1.00 0.00 C ATOM 1253 CD GLU B 11 3.751 7.814 -6.568 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.402 6.965 -7.393 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.079 8.029 -5.550 1.00 0.00 O ATOM 0 H GLU B 11 6.588 8.651 -4.595 1.00 0.00 H new ATOM 0 HA GLU B 11 5.555 6.222 -5.393 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.121 8.266 -7.008 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.130 6.992 -7.692 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.153 9.296 -5.981 1.00 0.00 H new ATOM 0 HG3 GLU B 11 4.956 9.133 -7.715 1.00 0.00 H new ATOM 1262 N ASN B 12 8.816 6.502 -5.834 1.00 0.00 N ATOM 1263 CA ASN B 12 10.079 5.806 -6.071 1.00 0.00 C ATOM 1264 C ASN B 12 10.311 4.669 -5.080 1.00 0.00 C ATOM 1265 O ASN B 12 10.532 3.526 -5.486 1.00 0.00 O ATOM 1266 CB ASN B 12 11.251 6.797 -6.003 1.00 0.00 C ATOM 1267 CG ASN B 12 12.600 6.160 -6.309 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.002 6.098 -7.460 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.316 5.718 -5.301 1.00 0.00 N ATOM 0 H ASN B 12 8.927 7.506 -5.695 1.00 0.00 H new ATOM 0 HA ASN B 12 10.020 5.368 -7.067 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.072 7.609 -6.708 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.284 7.241 -5.008 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.235 5.309 -5.469 1.00 0.00 H new ATOM 0 HD22 ASN B 12 12.953 5.784 -4.350 1.00 0.00 H new ATOM 1276 N LYS B 13 10.234 4.978 -3.789 1.00 0.00 N ATOM 1277 CA LYS B 13 10.513 4.002 -2.753 1.00 0.00 C ATOM 1278 C LYS B 13 9.482 2.876 -2.768 1.00 0.00 C ATOM 1279 O LYS B 13 9.826 1.700 -2.614 1.00 0.00 O ATOM 1280 CB LYS B 13 10.532 4.687 -1.399 1.00 0.00 C ATOM 1281 CG LYS B 13 11.106 3.836 -0.285 1.00 0.00 C ATOM 1282 CD LYS B 13 12.542 3.446 -0.562 1.00 0.00 C ATOM 1283 CE LYS B 13 13.445 4.649 -0.730 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.814 4.240 -1.028 1.00 0.00 N ATOM 0 H LYS B 13 9.979 5.902 -3.439 1.00 0.00 H new ATOM 0 HA LYS B 13 11.491 3.560 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.113 5.606 -1.476 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.514 4.975 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.053 4.384 0.656 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.501 2.937 -0.165 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.912 2.829 0.257 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.582 2.836 -1.465 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.068 5.281 -1.534 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.431 5.248 0.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.381 5.077 -1.271 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.226 3.773 -0.195 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.812 3.578 -1.830 1.00 0.00 H new ATOM 1298 N LYS B 14 8.237 3.254 -2.964 1.00 0.00 N ATOM 1299 CA LYS B 14 7.131 2.325 -3.080 1.00 0.00 C ATOM 1300 C LYS B 14 7.392 1.357 -4.232 1.00 0.00 C ATOM 1301 O LYS B 14 7.243 0.160 -4.086 1.00 0.00 O ATOM 1302 CB LYS B 14 5.852 3.136 -3.309 1.00 0.00 C ATOM 1303 CG LYS B 14 4.598 2.345 -3.656 1.00 0.00 C ATOM 1304 CD LYS B 14 3.468 3.285 -4.073 1.00 0.00 C ATOM 1305 CE LYS B 14 3.720 3.918 -5.428 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.761 5.006 -5.722 1.00 0.00 N ATOM 0 H LYS B 14 7.959 4.232 -3.049 1.00 0.00 H new ATOM 0 HA LYS B 14 7.022 1.733 -2.171 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.651 3.717 -2.409 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.039 3.848 -4.113 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.814 1.646 -4.464 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.286 1.752 -2.796 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.529 2.732 -4.101 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.354 4.068 -3.324 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.736 4.312 -5.460 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.650 3.155 -6.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.012 5.455 -6.626 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.800 4.614 -5.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.797 5.715 -4.962 1.00 0.00 H new ATOM 1320 N LYS B 15 7.834 1.897 -5.348 1.00 0.00 N ATOM 1321 CA LYS B 15 8.162 1.115 -6.533 1.00 0.00 C ATOM 1322 C LYS B 15 9.335 0.189 -6.281 1.00 0.00 C ATOM 1323 O LYS B 15 9.315 -0.956 -6.727 1.00 0.00 O ATOM 1324 CB LYS B 15 8.419 2.022 -7.739 1.00 0.00 C ATOM 1325 CG LYS B 15 7.183 2.787 -8.190 1.00 0.00 C ATOM 1326 CD LYS B 15 7.494 3.831 -9.255 1.00 0.00 C ATOM 1327 CE LYS B 15 7.977 3.217 -10.556 1.00 0.00 C ATOM 1328 NZ LYS B 15 8.172 4.240 -11.603 1.00 0.00 N ATOM 0 H LYS B 15 7.979 2.900 -5.465 1.00 0.00 H new ATOM 0 HA LYS B 15 7.299 0.491 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.207 2.733 -7.489 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.786 1.417 -8.568 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.448 2.083 -8.580 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.729 3.277 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.600 4.424 -9.448 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.254 4.514 -8.877 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.915 2.689 -10.383 1.00 0.00 H new ATOM 0 HE3 LYS B 15 7.254 2.477 -10.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 8.502 3.783 -12.477 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 7.271 4.726 -11.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 8.880 4.932 -11.285 1.00 0.00 H new ATOM 1342 N GLU B 16 10.343 0.671 -5.535 1.00 0.00 N ATOM 1343 CA GLU B 16 11.489 -0.167 -5.168 1.00 0.00 C ATOM 1344 C GLU B 16 11.005 -1.375 -4.369 1.00 0.00 C ATOM 1345 O GLU B 16 11.494 -2.503 -4.548 1.00 0.00 O ATOM 1346 CB GLU B 16 12.548 0.612 -4.360 1.00 0.00 C ATOM 1347 CG GLU B 16 13.228 1.744 -5.109 1.00 0.00 C ATOM 1348 CD GLU B 16 14.371 2.342 -4.323 1.00 0.00 C ATOM 1349 OE1 GLU B 16 14.137 3.050 -3.340 1.00 0.00 O ATOM 1350 OE2 GLU B 16 15.543 2.083 -4.664 1.00 0.00 O ATOM 0 H GLU B 16 10.385 1.626 -5.179 1.00 0.00 H new ATOM 0 HA GLU B 16 11.966 -0.497 -6.091 1.00 0.00 H new ATOM 0 HB2 GLU B 16 12.073 1.021 -3.468 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.311 -0.089 -4.021 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.601 1.373 -6.064 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.497 2.521 -5.332 1.00 0.00 H new ATOM 1357 N LEU B 17 10.013 -1.135 -3.529 1.00 0.00 N ATOM 1358 CA LEU B 17 9.411 -2.171 -2.735 1.00 0.00 C ATOM 1359 C LEU B 17 8.617 -3.115 -3.610 1.00 0.00 C ATOM 1360 O LEU B 17 8.734 -4.322 -3.473 1.00 0.00 O ATOM 1361 CB LEU B 17 8.478 -1.596 -1.697 1.00 0.00 C ATOM 1362 CG LEU B 17 7.626 -2.632 -0.995 1.00 0.00 C ATOM 1363 CD1 LEU B 17 8.377 -3.406 0.031 1.00 0.00 C ATOM 1364 CD2 LEU B 17 6.341 -2.067 -0.509 1.00 0.00 C ATOM 0 H LEU B 17 9.607 -0.210 -3.384 1.00 0.00 H new ATOM 0 HA LEU B 17 10.221 -2.705 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.066 -1.059 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.825 -0.866 -2.175 1.00 0.00 H new ATOM 0 HG LEU B 17 7.351 -3.372 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.712 -4.132 0.498 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.208 -3.928 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.762 -2.725 0.790 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.765 -2.848 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.542 -1.260 0.196 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.772 -1.678 -1.353 1.00 0.00 H new ATOM 1376 N ILE B 18 7.798 -2.551 -4.493 1.00 0.00 N ATOM 1377 CA ILE B 18 6.962 -3.330 -5.404 1.00 0.00 C ATOM 1378 C ILE B 18 7.817 -4.316 -6.178 1.00 0.00 C ATOM 1379 O ILE B 18 7.474 -5.479 -6.279 1.00 0.00 O ATOM 1380 CB ILE B 18 6.170 -2.426 -6.390 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.244 -1.488 -5.625 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.354 -3.275 -7.366 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.603 -0.421 -6.481 1.00 0.00 C ATOM 0 H ILE B 18 7.694 -1.542 -4.598 1.00 0.00 H new ATOM 0 HA ILE B 18 6.234 -3.870 -4.798 1.00 0.00 H new ATOM 0 HB ILE B 18 6.888 -1.833 -6.956 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.460 -2.077 -5.150 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.810 -1.007 -4.827 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.808 -2.622 -8.047 1.00 0.00 H new ATOM 0 HG22 ILE B 18 6.024 -3.917 -7.938 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.648 -3.892 -6.810 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.960 0.204 -5.862 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.379 0.195 -6.936 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.008 -0.891 -7.264 1.00 0.00 H new ATOM 1395 N GLN B 19 8.955 -3.843 -6.657 1.00 0.00 N ATOM 1396 CA GLN B 19 9.912 -4.670 -7.371 1.00 0.00 C ATOM 1397 C GLN B 19 10.400 -5.845 -6.505 1.00 0.00 C ATOM 1398 O GLN B 19 10.632 -6.948 -7.013 1.00 0.00 O ATOM 1399 CB GLN B 19 11.092 -3.826 -7.840 1.00 0.00 C ATOM 1400 CG GLN B 19 10.726 -2.782 -8.883 1.00 0.00 C ATOM 1401 CD GLN B 19 11.906 -1.930 -9.292 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.169 -0.860 -8.720 1.00 0.00 O ATOM 1403 NE2 GLN B 19 12.641 -2.396 -10.257 1.00 0.00 N ATOM 0 H GLN B 19 9.242 -2.869 -6.561 1.00 0.00 H new ATOM 0 HA GLN B 19 9.408 -5.089 -8.242 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.533 -3.325 -6.978 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.856 -4.485 -8.252 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.320 -3.280 -9.763 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.939 -2.140 -8.488 1.00 0.00 H new ATOM 0 HE21 GLN B 19 12.395 -3.279 -10.705 1.00 0.00 H new ATOM 0 HE22 GLN B 19 13.464 -1.879 -10.567 1.00 0.00 H new ATOM 1412 N LEU B 20 10.500 -5.610 -5.202 1.00 0.00 N ATOM 1413 CA LEU B 20 10.937 -6.627 -4.252 1.00 0.00 C ATOM 1414 C LEU B 20 9.804 -7.604 -3.932 1.00 0.00 C ATOM 1415 O LEU B 20 10.016 -8.812 -3.931 1.00 0.00 O ATOM 1416 CB LEU B 20 11.493 -5.991 -2.970 1.00 0.00 C ATOM 1417 CG LEU B 20 12.731 -5.099 -3.143 1.00 0.00 C ATOM 1418 CD1 LEU B 20 13.135 -4.488 -1.823 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.891 -5.883 -3.738 1.00 0.00 C ATOM 0 H LEU B 20 10.281 -4.710 -4.774 1.00 0.00 H new ATOM 0 HA LEU B 20 11.744 -7.190 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.703 -5.397 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.740 -6.789 -2.270 1.00 0.00 H new ATOM 0 HG LEU B 20 12.471 -4.297 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU B 20 14.014 -3.860 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.315 -3.882 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.368 -5.280 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.754 -5.227 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU B 20 14.147 -6.711 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.604 -6.274 -4.714 1.00 0.00 H new ATOM 1431 N VAL B 21 8.601 -7.083 -3.669 1.00 0.00 N ATOM 1432 CA VAL B 21 7.435 -7.937 -3.444 1.00 0.00 C ATOM 1433 C VAL B 21 7.167 -8.785 -4.712 1.00 0.00 C ATOM 1434 O VAL B 21 6.790 -9.949 -4.630 1.00 0.00 O ATOM 1435 CB VAL B 21 6.177 -7.086 -3.102 1.00 0.00 C ATOM 1436 CG1 VAL B 21 5.015 -7.956 -2.671 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.490 -6.076 -2.023 1.00 0.00 C ATOM 0 H VAL B 21 8.412 -6.083 -3.607 1.00 0.00 H new ATOM 0 HA VAL B 21 7.642 -8.592 -2.598 1.00 0.00 H new ATOM 0 HB VAL B 21 5.888 -6.558 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.155 -7.327 -2.441 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.756 -8.643 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.296 -8.525 -1.785 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.596 -5.493 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.818 -6.595 -1.123 1.00 0.00 H new ATOM 0 HG23 VAL B 21 7.282 -5.410 -2.367 1.00 0.00 H new ATOM 1447 N ALA B 22 7.409 -8.184 -5.868 1.00 0.00 N ATOM 1448 CA ALA B 22 7.259 -8.840 -7.157 1.00 0.00 C ATOM 1449 C ALA B 22 8.185 -10.052 -7.274 1.00 0.00 C ATOM 1450 O ALA B 22 7.731 -11.173 -7.536 1.00 0.00 O ATOM 1451 CB ALA B 22 7.530 -7.854 -8.278 1.00 0.00 C ATOM 0 H ALA B 22 7.719 -7.215 -5.937 1.00 0.00 H new ATOM 0 HA ALA B 22 6.232 -9.197 -7.239 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.415 -8.355 -9.239 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.823 -7.027 -8.213 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.546 -7.471 -8.188 1.00 0.00 H new ATOM 1457 N ARG B 23 9.470 -9.847 -6.990 1.00 0.00 N ATOM 1458 CA ARG B 23 10.477 -10.916 -7.103 1.00 0.00 C ATOM 1459 C ARG B 23 10.387 -11.923 -5.950 1.00 0.00 C ATOM 1460 O ARG B 23 11.204 -12.837 -5.846 1.00 0.00 O ATOM 1461 CB ARG B 23 11.895 -10.340 -7.226 1.00 0.00 C ATOM 1462 CG ARG B 23 12.300 -9.453 -6.076 1.00 0.00 C ATOM 1463 CD ARG B 23 13.675 -8.846 -6.273 1.00 0.00 C ATOM 1464 NE ARG B 23 14.760 -9.826 -6.180 1.00 0.00 N ATOM 1465 CZ ARG B 23 16.034 -9.577 -6.504 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.365 -8.418 -7.096 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.973 -10.484 -6.247 1.00 0.00 N ATOM 0 H ARG B 23 9.845 -8.951 -6.679 1.00 0.00 H new ATOM 0 HA ARG B 23 10.255 -11.461 -8.021 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.605 -11.164 -7.303 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.965 -9.770 -8.153 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.567 -8.655 -5.960 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.290 -10.032 -5.153 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.714 -8.362 -7.249 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.832 -8.069 -5.525 1.00 0.00 H new ATOM 0 HE ARG B 23 14.528 -10.761 -5.846 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.644 -7.725 -7.300 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.337 -8.230 -7.342 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.721 -11.367 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.945 -10.296 -6.493 1.00 0.00 H new ATOM 1481 N HIS B 24 9.419 -11.730 -5.077 1.00 0.00 N ATOM 1482 CA HIS B 24 9.138 -12.691 -4.031 1.00 0.00 C ATOM 1483 C HIS B 24 8.452 -13.927 -4.635 1.00 0.00 C ATOM 1484 O HIS B 24 8.608 -15.045 -4.140 1.00 0.00 O ATOM 1485 CB HIS B 24 8.248 -12.062 -2.920 1.00 0.00 C ATOM 1486 CG HIS B 24 7.774 -13.049 -1.878 1.00 0.00 C ATOM 1487 ND1 HIS B 24 8.388 -13.492 -0.767 1.00 0.00 N flip ATOM 1488 CD2 HIS B 24 6.583 -13.748 -1.952 1.00 0.00 C flip ATOM 1489 CE1 HIS B 24 7.605 -14.461 -0.158 1.00 0.00 C flip ATOM 1490 NE2 HIS B 24 6.529 -14.573 -0.911 1.00 0.00 N flip ATOM 0 H HIS B 24 8.811 -10.911 -5.072 1.00 0.00 H new ATOM 0 HA HIS B 24 10.080 -12.992 -3.572 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.809 -11.269 -2.425 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.380 -11.596 -3.385 1.00 0.00 H new ATOM 0 HD2 HIS B 24 5.830 -13.642 -2.719 1.00 0.00 H new ATOM 0 HE1 HIS B 24 7.830 -15.009 0.745 1.00 0.00 H new ATOM 0 HE2 HIS B 24 5.756 -15.210 -0.720 1.00 0.00 H new ATOM 1498 N GLY B 25 7.720 -13.718 -5.710 1.00 0.00 N ATOM 1499 CA GLY B 25 6.982 -14.810 -6.308 1.00 0.00 C ATOM 1500 C GLY B 25 5.713 -14.345 -6.977 1.00 0.00 C ATOM 1501 O GLY B 25 4.913 -15.155 -7.468 1.00 0.00 O ATOM 0 H GLY B 25 7.621 -12.818 -6.180 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.613 -15.314 -7.041 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.737 -15.544 -5.540 1.00 0.00 H new ATOM 1505 N LEU B 26 5.485 -13.057 -6.936 1.00 0.00 N ATOM 1506 CA LEU B 26 4.400 -12.446 -7.601 1.00 0.00 C ATOM 1507 C LEU B 26 4.597 -12.391 -9.086 1.00 0.00 C ATOM 1508 O LEU B 26 5.682 -12.081 -9.591 1.00 0.00 O ATOM 1509 CB LEU B 26 4.185 -11.048 -7.081 1.00 0.00 C ATOM 1510 CG LEU B 26 3.358 -10.914 -5.826 1.00 0.00 C ATOM 1511 CD1 LEU B 26 4.008 -11.536 -4.613 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.947 -9.477 -5.602 1.00 0.00 C ATOM 0 H LEU B 26 6.073 -12.401 -6.422 1.00 0.00 H new ATOM 0 HA LEU B 26 3.523 -13.061 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.161 -10.600 -6.895 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.709 -10.462 -7.867 1.00 0.00 H new ATOM 0 HG LEU B 26 2.448 -11.494 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.361 -11.404 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU B 26 4.165 -12.600 -4.790 1.00 0.00 H new ATOM 0 HD13 LEU B 26 4.967 -11.053 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.352 -9.406 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.837 -8.855 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.355 -9.131 -6.450 1.00 0.00 H new ATOM 1524 N ASP B 27 3.554 -12.700 -9.773 1.00 0.00 N ATOM 1525 CA ASP B 27 3.510 -12.572 -11.221 1.00 0.00 C ATOM 1526 C ASP B 27 3.257 -11.126 -11.521 1.00 0.00 C ATOM 1527 O ASP B 27 2.839 -10.398 -10.632 1.00 0.00 O ATOM 1528 CB ASP B 27 2.387 -13.425 -11.832 1.00 0.00 C ATOM 1529 CG ASP B 27 2.637 -14.906 -11.726 1.00 0.00 C ATOM 1530 OD1 ASP B 27 3.439 -15.442 -12.505 1.00 0.00 O ATOM 1531 OD2 ASP B 27 2.040 -15.566 -10.839 1.00 0.00 O ATOM 0 H ASP B 27 2.691 -13.053 -9.360 1.00 0.00 H new ATOM 0 HA ASP B 27 4.449 -12.920 -11.651 1.00 0.00 H new ATOM 0 HB2 ASP B 27 1.447 -13.186 -11.334 1.00 0.00 H new ATOM 0 HB3 ASP B 27 2.268 -13.158 -12.882 1.00 0.00 H new ATOM 1536 N HIS B 28 3.446 -10.694 -12.744 1.00 0.00 N ATOM 1537 CA HIS B 28 3.250 -9.280 -13.058 1.00 0.00 C ATOM 1538 C HIS B 28 1.810 -8.844 -12.871 1.00 0.00 C ATOM 1539 O HIS B 28 1.550 -7.695 -12.553 1.00 0.00 O ATOM 1540 CB HIS B 28 3.790 -8.886 -14.431 1.00 0.00 C ATOM 1541 CG HIS B 28 5.288 -8.882 -14.503 1.00 0.00 C ATOM 1542 ND1 HIS B 28 6.062 -7.763 -14.282 1.00 0.00 N ATOM 1543 CD2 HIS B 28 6.153 -9.883 -14.781 1.00 0.00 C ATOM 1544 CE1 HIS B 28 7.339 -8.107 -14.434 1.00 0.00 C ATOM 1545 NE2 HIS B 28 7.453 -9.389 -14.739 1.00 0.00 N ATOM 0 H HIS B 28 3.729 -11.278 -13.531 1.00 0.00 H new ATOM 0 HA HIS B 28 3.849 -8.733 -12.330 1.00 0.00 H new ATOM 0 HB2 HIS B 28 3.400 -9.576 -15.179 1.00 0.00 H new ATOM 0 HB3 HIS B 28 3.419 -7.894 -14.688 1.00 0.00 H new ATOM 0 HD2 HIS B 28 5.878 -10.904 -15.001 1.00 0.00 H new ATOM 0 HE1 HIS B 28 8.172 -7.429 -14.323 1.00 0.00 H new ATOM 0 HE2 HIS B 28 8.315 -9.908 -14.908 1.00 0.00 H new ATOM 1553 N ASP B 29 0.885 -9.784 -13.001 1.00 0.00 N ATOM 1554 CA ASP B 29 -0.538 -9.517 -12.768 1.00 0.00 C ATOM 1555 C ASP B 29 -0.718 -9.166 -11.312 1.00 0.00 C ATOM 1556 O ASP B 29 -1.395 -8.206 -10.962 1.00 0.00 O ATOM 1557 CB ASP B 29 -1.388 -10.751 -13.088 1.00 0.00 C ATOM 1558 CG ASP B 29 -1.135 -11.298 -14.461 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -1.703 -10.786 -15.453 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -0.338 -12.243 -14.590 1.00 0.00 O ATOM 0 H ASP B 29 1.091 -10.747 -13.268 1.00 0.00 H new ATOM 0 HA ASP B 29 -0.859 -8.700 -13.415 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -1.183 -11.527 -12.351 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -2.443 -10.493 -12.995 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.053 -9.941 -10.471 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.027 -9.730 -9.036 1.00 0.00 C ATOM 1567 C LYS B 30 0.582 -8.378 -8.725 1.00 0.00 C ATOM 1568 O LYS B 30 0.097 -7.669 -7.873 1.00 0.00 O ATOM 1569 CB LYS B 30 0.807 -10.824 -8.374 1.00 0.00 C ATOM 1570 CG LYS B 30 0.160 -12.186 -8.327 1.00 0.00 C ATOM 1571 CD LYS B 30 -0.612 -12.368 -7.035 1.00 0.00 C ATOM 1572 CE LYS B 30 -1.392 -13.672 -7.016 1.00 0.00 C ATOM 1573 NZ LYS B 30 -0.517 -14.864 -7.126 1.00 0.00 N ATOM 0 H LYS B 30 0.493 -10.748 -10.773 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.047 -9.763 -8.652 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.755 -10.908 -8.906 1.00 0.00 H new ATOM 0 HB3 LYS B 30 1.040 -10.515 -7.355 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.511 -12.305 -9.177 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.923 -12.960 -8.413 1.00 0.00 H new ATOM 0 HD2 LYS B 30 0.080 -12.347 -6.193 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.299 -11.533 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.968 -13.733 -6.092 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.108 -13.675 -7.838 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -1.090 -15.726 -7.023 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -0.050 -14.867 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 0.204 -14.836 -6.377 1.00 0.00 H new ATOM 1587 N VAL B 31 1.630 -8.028 -9.460 1.00 0.00 N ATOM 1588 CA VAL B 31 2.331 -6.765 -9.290 1.00 0.00 C ATOM 1589 C VAL B 31 1.395 -5.598 -9.598 1.00 0.00 C ATOM 1590 O VAL B 31 1.354 -4.617 -8.865 1.00 0.00 O ATOM 1591 CB VAL B 31 3.585 -6.695 -10.205 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.337 -5.393 -10.033 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.495 -7.864 -9.935 1.00 0.00 C ATOM 0 H VAL B 31 2.019 -8.618 -10.196 1.00 0.00 H new ATOM 0 HA VAL B 31 2.660 -6.697 -8.253 1.00 0.00 H new ATOM 0 HB VAL B 31 3.240 -6.741 -11.238 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.206 -5.385 -10.691 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.683 -4.559 -10.286 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.664 -5.296 -8.998 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.369 -7.802 -10.583 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.814 -7.844 -8.893 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.962 -8.794 -10.133 1.00 0.00 H new ATOM 1603 N LEU B 32 0.633 -5.730 -10.665 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.349 -4.729 -11.066 1.00 0.00 C ATOM 1605 C LEU B 32 -1.403 -4.570 -10.000 1.00 0.00 C ATOM 1606 O LEU B 32 -1.664 -3.462 -9.548 1.00 0.00 O ATOM 1607 CB LEU B 32 -0.985 -5.113 -12.395 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.013 -5.287 -13.560 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -0.750 -5.671 -14.813 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.816 -4.030 -13.780 1.00 0.00 C ATOM 0 H LEU B 32 0.674 -6.538 -11.286 1.00 0.00 H new ATOM 0 HA LEU B 32 0.160 -3.773 -11.191 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.534 -6.045 -12.260 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.715 -4.349 -12.664 1.00 0.00 H new ATOM 0 HG LEU B 32 0.674 -6.095 -13.306 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.040 -5.790 -15.631 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.278 -6.611 -14.651 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.468 -4.891 -15.067 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.498 -4.186 -14.616 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.155 -3.192 -14.002 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.390 -3.810 -12.880 1.00 0.00 H new ATOM 1622 N LEU B 33 -1.959 -5.680 -9.563 1.00 0.00 N ATOM 1623 CA LEU B 33 -2.986 -5.684 -8.527 1.00 0.00 C ATOM 1624 C LEU B 33 -2.444 -5.120 -7.215 1.00 0.00 C ATOM 1625 O LEU B 33 -3.119 -4.349 -6.528 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.504 -7.097 -8.311 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.144 -7.774 -9.529 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -4.405 -9.244 -9.253 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.435 -7.071 -9.924 1.00 0.00 C ATOM 0 H LEU B 33 -1.716 -6.607 -9.912 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.806 -5.047 -8.859 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.676 -7.718 -7.969 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.238 -7.074 -7.506 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.444 -7.699 -10.361 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -4.859 -9.704 -10.131 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -3.463 -9.745 -9.027 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.080 -9.340 -8.403 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -5.870 -7.569 -10.790 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.139 -7.108 -9.092 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.222 -6.031 -10.173 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.228 -5.489 -6.893 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.579 -5.026 -5.698 1.00 0.00 C ATOM 1643 C PHE B 34 -0.304 -3.532 -5.771 1.00 0.00 C ATOM 1644 O PHE B 34 -0.716 -2.797 -4.895 1.00 0.00 O ATOM 1645 CB PHE B 34 0.715 -5.819 -5.441 1.00 0.00 C ATOM 1646 CG PHE B 34 1.514 -5.338 -4.269 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.061 -5.536 -2.976 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.723 -4.687 -4.462 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.795 -5.089 -1.901 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.460 -4.241 -3.391 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.998 -4.439 -2.110 1.00 0.00 C ATOM 0 H PHE B 34 -0.661 -6.122 -7.457 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.251 -5.197 -4.857 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.459 -6.867 -5.285 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.339 -5.772 -6.334 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.124 -6.046 -2.809 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.090 -4.529 -5.465 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.432 -5.245 -0.896 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.400 -3.736 -3.555 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.575 -4.087 -1.268 1.00 0.00 H new ATOM 1661 N SER B 35 0.344 -3.091 -6.839 1.00 0.00 N ATOM 1662 CA SER B 35 0.721 -1.696 -6.991 1.00 0.00 C ATOM 1663 C SER B 35 -0.485 -0.761 -6.964 1.00 0.00 C ATOM 1664 O SER B 35 -0.431 0.300 -6.350 1.00 0.00 O ATOM 1665 CB SER B 35 1.573 -1.490 -8.255 1.00 0.00 C ATOM 1666 OG SER B 35 0.929 -2.014 -9.406 1.00 0.00 O ATOM 0 H SER B 35 0.621 -3.687 -7.619 1.00 0.00 H new ATOM 0 HA SER B 35 1.333 -1.433 -6.128 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.765 -0.426 -8.396 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.541 -1.974 -8.126 1.00 0.00 H new ATOM 0 HG SER B 35 0.980 -2.993 -9.392 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.583 -1.176 -7.585 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.779 -0.352 -7.620 1.00 0.00 C ATOM 1674 C ARG B 36 -3.461 -0.266 -6.247 1.00 0.00 C ATOM 1675 O ARG B 36 -3.894 0.813 -5.838 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.754 -0.804 -8.722 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.227 -2.237 -8.597 1.00 0.00 C ATOM 1678 CD ARG B 36 -5.101 -2.646 -9.760 1.00 0.00 C ATOM 1679 NE ARG B 36 -6.361 -1.895 -9.771 1.00 0.00 N ATOM 1680 CZ ARG B 36 -7.340 -2.020 -10.673 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -7.224 -2.882 -11.689 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -8.440 -1.277 -10.551 1.00 0.00 N ATOM 0 H ARG B 36 -1.667 -2.071 -8.067 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.460 0.659 -7.874 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.623 -0.146 -8.712 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -3.270 -0.678 -9.691 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.364 -2.900 -8.541 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.782 -2.356 -7.666 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.567 -2.478 -10.695 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.312 -3.714 -9.701 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.503 -1.216 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.383 -3.452 -11.781 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -7.977 -2.970 -12.372 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -8.529 -0.621 -9.775 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -9.193 -1.365 -11.234 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.524 -1.384 -5.513 1.00 0.00 N ATOM 1697 CA ASP B 37 -4.160 -1.357 -4.184 1.00 0.00 C ATOM 1698 C ASP B 37 -3.251 -0.631 -3.203 1.00 0.00 C ATOM 1699 O ASP B 37 -3.710 0.139 -2.351 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.468 -2.768 -3.667 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.430 -2.756 -2.482 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.669 -2.720 -2.706 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -4.990 -2.805 -1.311 1.00 0.00 O ATOM 0 H ASP B 37 -3.157 -2.291 -5.801 1.00 0.00 H new ATOM 0 HA ASP B 37 -5.109 -0.829 -4.275 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.897 -3.362 -4.474 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.538 -3.255 -3.372 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.957 -0.860 -3.366 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.914 -0.221 -2.576 1.00 0.00 C ATOM 1710 C LEU B 38 -0.928 1.283 -2.768 1.00 0.00 C ATOM 1711 O LEU B 38 -0.862 2.034 -1.800 1.00 0.00 O ATOM 1712 CB LEU B 38 0.462 -0.794 -2.962 1.00 0.00 C ATOM 1713 CG LEU B 38 1.705 -0.078 -2.421 1.00 0.00 C ATOM 1714 CD1 LEU B 38 1.699 -0.021 -0.920 1.00 0.00 C ATOM 1715 CD2 LEU B 38 2.956 -0.765 -2.912 1.00 0.00 C ATOM 0 H LEU B 38 -1.595 -1.508 -4.065 1.00 0.00 H new ATOM 0 HA LEU B 38 -1.106 -0.428 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.500 -1.831 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.528 -0.806 -4.050 1.00 0.00 H new ATOM 0 HG LEU B 38 1.689 0.946 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.595 0.493 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.815 0.519 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.683 -1.034 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU B 38 3.832 -0.248 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU B 38 2.962 -1.799 -2.568 1.00 0.00 H new ATOM 0 HD23 LEU B 38 2.978 -0.745 -4.002 1.00 0.00 H new ATOM 1727 N ASP B 39 -1.023 1.719 -4.009 1.00 0.00 N ATOM 1728 CA ASP B 39 -1.035 3.142 -4.321 1.00 0.00 C ATOM 1729 C ASP B 39 -2.220 3.812 -3.656 1.00 0.00 C ATOM 1730 O ASP B 39 -2.101 4.903 -3.092 1.00 0.00 O ATOM 1731 CB ASP B 39 -1.062 3.375 -5.828 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.952 4.834 -6.186 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.185 5.380 -6.143 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -1.973 5.456 -6.510 1.00 0.00 O ATOM 0 H ASP B 39 -1.093 1.109 -4.823 1.00 0.00 H new ATOM 0 HA ASP B 39 -0.118 3.584 -3.933 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.242 2.827 -6.292 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.988 2.972 -6.239 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.346 3.124 -3.658 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.536 3.637 -3.020 1.00 0.00 C ATOM 1741 C LYS B 40 -4.420 3.587 -1.500 1.00 0.00 C ATOM 1742 O LYS B 40 -4.968 4.442 -0.817 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.790 2.911 -3.484 1.00 0.00 C ATOM 1744 CG LYS B 40 -6.067 3.041 -4.978 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.400 2.416 -5.369 1.00 0.00 C ATOM 1746 CE LYS B 40 -8.584 3.192 -4.805 1.00 0.00 C ATOM 1747 NZ LYS B 40 -8.652 4.575 -5.337 1.00 0.00 N ATOM 0 H LYS B 40 -3.458 2.209 -4.095 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.627 4.681 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.699 1.854 -3.233 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.646 3.298 -2.931 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.065 4.095 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.264 2.562 -5.538 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.477 2.377 -6.456 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -7.437 1.388 -5.010 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -9.508 2.666 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.510 3.226 -3.718 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -9.589 4.978 -5.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.920 5.158 -4.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -8.494 4.560 -6.365 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.698 2.588 -0.976 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.463 2.465 0.469 1.00 0.00 C ATOM 1763 C LEU B 41 -2.679 3.674 0.921 1.00 0.00 C ATOM 1764 O LEU B 41 -2.975 4.289 1.941 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.667 1.160 0.789 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.557 0.701 2.278 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -1.953 -0.653 2.376 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.755 1.633 3.133 1.00 0.00 C ATOM 0 H LEU B 41 -3.265 1.851 -1.533 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.416 2.412 0.995 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.123 0.347 0.224 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.655 1.287 0.405 1.00 0.00 H new ATOM 0 HG LEU B 41 -3.582 0.695 2.650 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -1.888 -0.948 3.423 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -2.573 -1.368 1.836 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -0.954 -0.638 1.941 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.721 1.252 4.154 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -0.741 1.707 2.739 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -2.218 2.620 3.130 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.703 4.015 0.144 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.856 5.126 0.449 1.00 0.00 C ATOM 1782 C ILE B 42 -1.626 6.433 0.354 1.00 0.00 C ATOM 1783 O ILE B 42 -1.647 7.192 1.308 1.00 0.00 O ATOM 1784 CB ILE B 42 0.419 5.114 -0.416 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.192 3.835 -0.117 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.286 6.328 -0.132 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.445 3.672 -0.903 1.00 0.00 C ATOM 0 H ILE B 42 -1.468 3.531 -0.723 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.521 5.033 1.482 1.00 0.00 H new ATOM 0 HB ILE B 42 0.140 5.150 -1.469 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.439 3.815 0.944 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.544 2.980 -0.310 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.178 6.292 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.725 7.236 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.578 6.329 0.918 1.00 0.00 H new ATOM 0 HD11 ILE B 42 2.929 2.736 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.208 3.657 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.117 4.504 -0.693 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.318 6.654 -0.757 1.00 0.00 N ATOM 1800 CA ASN B 43 -3.166 7.863 -0.940 1.00 0.00 C ATOM 1801 C ASN B 43 -4.197 8.003 0.160 1.00 0.00 C ATOM 1802 O ASN B 43 -4.536 9.124 0.562 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.870 7.875 -2.292 1.00 0.00 C ATOM 1804 CG ASN B 43 -3.001 8.374 -3.424 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -2.975 9.573 -3.710 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -2.307 7.491 -4.084 1.00 0.00 N ATOM 0 H ASN B 43 -2.319 6.020 -1.556 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.483 8.712 -0.895 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.210 6.866 -2.524 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.759 8.503 -2.224 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.719 7.784 -4.864 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -2.352 6.507 -3.821 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.665 6.857 0.655 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.616 6.764 1.762 1.00 0.00 C ATOM 1815 C LYS B 44 -5.067 7.505 2.975 1.00 0.00 C ATOM 1816 O LYS B 44 -5.792 8.177 3.691 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.831 5.274 2.115 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.830 4.963 3.232 1.00 0.00 C ATOM 1819 CD LYS B 44 -6.667 3.512 3.753 1.00 0.00 C ATOM 1820 CE LYS B 44 -6.821 2.457 2.652 1.00 0.00 C ATOM 1821 NZ LYS B 44 -6.593 1.065 3.150 1.00 0.00 N ATOM 0 H LYS B 44 -4.387 5.947 0.289 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.565 7.214 1.471 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.158 4.756 1.214 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.867 4.849 2.395 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.688 5.664 4.054 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.846 5.106 2.863 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -5.685 3.406 4.215 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.407 3.327 4.532 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -7.822 2.526 2.225 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -6.116 2.671 1.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -6.524 0.414 2.342 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -5.709 1.032 3.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -7.387 0.779 3.758 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.783 7.383 3.173 1.00 0.00 N ATOM 1836 CA PHE B 45 -3.122 8.006 4.280 1.00 0.00 C ATOM 1837 C PHE B 45 -2.520 9.350 3.946 1.00 0.00 C ATOM 1838 O PHE B 45 -2.474 10.244 4.797 1.00 0.00 O ATOM 1839 CB PHE B 45 -2.083 7.084 4.871 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.681 6.103 5.799 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.173 4.891 5.353 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.777 6.422 7.128 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.754 4.010 6.233 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.352 5.551 8.019 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.845 4.342 7.572 1.00 0.00 C ATOM 0 H PHE B 45 -3.165 6.845 2.566 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.894 8.198 5.025 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.567 6.557 4.069 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.333 7.673 5.399 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.100 4.635 4.306 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.396 7.370 7.478 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.137 3.064 5.881 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.418 5.810 9.065 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.302 3.655 8.269 1.00 0.00 H new ATOM 1855 N MET B 46 -2.094 9.515 2.720 1.00 0.00 N ATOM 1856 CA MET B 46 -1.424 10.754 2.326 1.00 0.00 C ATOM 1857 C MET B 46 -2.413 11.884 2.308 1.00 0.00 C ATOM 1858 O MET B 46 -2.108 13.009 2.716 1.00 0.00 O ATOM 1859 CB MET B 46 -0.810 10.657 0.942 1.00 0.00 C ATOM 1860 CG MET B 46 0.134 9.511 0.744 1.00 0.00 C ATOM 1861 SD MET B 46 1.046 9.649 -0.784 1.00 0.00 S ATOM 1862 CE MET B 46 2.039 11.061 -0.372 1.00 0.00 C ATOM 0 H MET B 46 -2.191 8.824 1.976 1.00 0.00 H new ATOM 0 HA MET B 46 -0.632 10.930 3.054 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.614 10.576 0.210 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.279 11.585 0.731 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.832 9.468 1.580 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.426 8.576 0.748 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.880 11.128 -1.062 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.435 11.965 -0.447 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.413 10.958 0.647 1.00 0.00 H new