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 :FLIP no HD1:sc= -0.0794 F(o=-3.2,f=-2.4) USER MOD Set 1.2: B 46 MET CE :methyl 147:sc= -2.28! (180deg=-3.37!) USER MOD Set 2.1: A 46 MET CE :methyl -155:sc= -0.139 (180deg=-1.15) USER MOD Set 2.2: B 24 HIS : no HD1:sc= -0.144 K(o=-0.28,f=-1.8) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= -0.019 (180deg=-0.199) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= 0.999 (180deg=0.636) USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 1.14 (180deg=0.709) USER MOD Single : A 15 LYS NZ :NH3+ -150:sc= -0.355 (180deg=-1.4!) USER MOD Single : A 19 GLN : amide:sc= -0.407 K(o=-0.41,f=-2.1) USER MOD Single : A 28 HIS : no HD1:sc= -0.0887 X(o=-0.089,f=-0.16) USER MOD Single : A 30 LYS NZ :NH3+ -149:sc= 2.31 (180deg=1.61) USER MOD Single : A 35 SER OG : rot -83:sc= 1.24 USER MOD Single : A 40 LYS NZ :NH3+ -157:sc= -0.102 (180deg=-0.568) USER MOD Single : A 43 ASN : amide:sc= 1.14 K(o=1.1,f=-0.079) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -169:sc= -0.011 (180deg=-0.136) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : B 13 LYS NZ :NH3+ 177:sc= 0.516 (180deg=0.471) USER MOD Single : B 14 LYS NZ :NH3+ -174:sc= 0.785 (180deg=0.522) USER MOD Single : B 15 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.09) USER MOD Single : B 19 GLN : amide:sc= 0.27 K(o=0.27,f=-0.26) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ -163:sc= 1.02 (180deg=0.495) USER MOD Single : B 35 SER OG : rot -80:sc= 1.25 USER MOD Single : B 40 LYS NZ :NH3+ -145:sc= 1.9 (180deg=0.0858) USER MOD Single : B 43 ASN : amide:sc= 1.12 K(o=1.1,f=-0.066) USER MOD Single : B 44 LYS NZ :NH3+ -166:sc= -0.0491 (180deg=-0.276) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 16.083 -13.500 3.287 1.00 0.00 N ATOM 60 CA GLN A 5 16.829 -12.313 2.878 1.00 0.00 C ATOM 61 C GLN A 5 15.970 -11.416 1.984 1.00 0.00 C ATOM 62 O GLN A 5 16.043 -10.189 2.053 1.00 0.00 O ATOM 63 CB GLN A 5 18.136 -12.682 2.166 1.00 0.00 C ATOM 64 CG GLN A 5 17.971 -13.268 0.789 1.00 0.00 C ATOM 65 CD GLN A 5 19.277 -13.569 0.119 1.00 0.00 C ATOM 66 OE1 GLN A 5 20.284 -12.908 0.350 1.00 0.00 O ATOM 67 NE2 GLN A 5 19.276 -14.567 -0.698 1.00 0.00 N ATOM 0 HA GLN A 5 17.088 -11.763 3.783 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.756 -11.788 2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.679 -13.396 2.785 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.385 -14.185 0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.404 -12.573 0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 5 18.416 -15.091 -0.862 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.135 -14.832 -1.180 1.00 0.00 H new ATOM 76 N LEU A 6 15.126 -12.042 1.180 1.00 0.00 N ATOM 77 CA LEU A 6 14.240 -11.336 0.289 1.00 0.00 C ATOM 78 C LEU A 6 13.179 -10.609 1.107 1.00 0.00 C ATOM 79 O LEU A 6 12.928 -9.422 0.904 1.00 0.00 O ATOM 80 CB LEU A 6 13.641 -12.337 -0.749 1.00 0.00 C ATOM 81 CG LEU A 6 12.635 -11.814 -1.815 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.251 -11.626 -1.237 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.124 -10.515 -2.450 1.00 0.00 C ATOM 0 H LEU A 6 15.041 -13.057 1.132 1.00 0.00 H new ATOM 0 HA LEU A 6 14.779 -10.578 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.474 -12.795 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.144 -13.131 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 6 12.574 -12.576 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.579 -11.260 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.882 -12.579 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.292 -10.903 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.399 -10.176 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.238 -9.753 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.085 -10.686 -2.935 1.00 0.00 H new ATOM 95 N LYS A 7 12.596 -11.318 2.061 1.00 0.00 N ATOM 96 CA LYS A 7 11.590 -10.746 2.938 1.00 0.00 C ATOM 97 C LYS A 7 12.214 -9.652 3.793 1.00 0.00 C ATOM 98 O LYS A 7 11.574 -8.654 4.098 1.00 0.00 O ATOM 99 CB LYS A 7 10.964 -11.828 3.827 1.00 0.00 C ATOM 100 CG LYS A 7 9.446 -11.943 3.686 1.00 0.00 C ATOM 101 CD LYS A 7 8.715 -10.683 4.152 1.00 0.00 C ATOM 102 CE LYS A 7 8.869 -10.449 5.646 1.00 0.00 C ATOM 103 NZ LYS A 7 8.284 -11.537 6.457 1.00 0.00 N ATOM 0 H LYS A 7 12.806 -12.299 2.247 1.00 0.00 H new ATOM 0 HA LYS A 7 10.799 -10.313 2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.416 -12.790 3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.207 -11.615 4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.195 -12.139 2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.095 -12.797 4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.100 -9.820 3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.656 -10.767 3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.927 -10.351 5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.392 -9.506 5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.216 -11.233 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.334 -11.765 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.889 -12.381 6.394 1.00 0.00 H new ATOM 117 N ASN A 8 13.472 -9.856 4.148 1.00 0.00 N ATOM 118 CA ASN A 8 14.267 -8.893 4.902 1.00 0.00 C ATOM 119 C ASN A 8 14.351 -7.590 4.114 1.00 0.00 C ATOM 120 O ASN A 8 14.090 -6.511 4.650 1.00 0.00 O ATOM 121 CB ASN A 8 15.686 -9.452 5.134 1.00 0.00 C ATOM 122 CG ASN A 8 16.580 -8.561 5.979 1.00 0.00 C ATOM 123 OD1 ASN A 8 16.125 -7.880 6.893 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.858 -8.552 5.678 1.00 0.00 N ATOM 0 H ASN A 8 13.981 -10.710 3.918 1.00 0.00 H new ATOM 0 HA ASN A 8 13.797 -8.709 5.868 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.605 -10.427 5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.163 -9.613 4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.503 -7.968 6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.206 -9.129 4.912 1.00 0.00 H new ATOM 131 N LYS A 9 14.683 -7.706 2.828 1.00 0.00 N ATOM 132 CA LYS A 9 14.753 -6.552 1.930 1.00 0.00 C ATOM 133 C LYS A 9 13.377 -5.917 1.743 1.00 0.00 C ATOM 134 O LYS A 9 13.273 -4.696 1.660 1.00 0.00 O ATOM 135 CB LYS A 9 15.325 -6.945 0.562 1.00 0.00 C ATOM 136 CG LYS A 9 16.794 -7.354 0.568 1.00 0.00 C ATOM 137 CD LYS A 9 17.726 -6.192 0.928 1.00 0.00 C ATOM 138 CE LYS A 9 17.634 -5.047 -0.084 1.00 0.00 C ATOM 139 NZ LYS A 9 18.622 -3.985 0.199 1.00 0.00 N ATOM 0 H LYS A 9 14.909 -8.595 2.382 1.00 0.00 H new ATOM 0 HA LYS A 9 15.419 -5.825 2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.736 -7.771 0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.201 -6.105 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.939 -8.166 1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.064 -7.741 -0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.474 -5.819 1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.754 -6.553 0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.796 -5.436 -1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.630 -4.624 -0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.529 -3.227 -0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.451 -3.596 1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.582 -4.383 0.155 1.00 0.00 H new ATOM 153 N ILE A 10 12.337 -6.742 1.655 1.00 0.00 N ATOM 154 CA ILE A 10 10.960 -6.248 1.552 1.00 0.00 C ATOM 155 C ILE A 10 10.622 -5.382 2.750 1.00 0.00 C ATOM 156 O ILE A 10 10.196 -4.245 2.588 1.00 0.00 O ATOM 157 CB ILE A 10 9.920 -7.403 1.394 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.071 -8.053 0.018 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.482 -6.915 1.615 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.080 -9.154 -0.263 1.00 0.00 C ATOM 0 H ILE A 10 12.418 -7.759 1.653 1.00 0.00 H new ATOM 0 HA ILE A 10 10.900 -5.645 0.646 1.00 0.00 H new ATOM 0 HB ILE A 10 10.123 -8.147 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.967 -7.284 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.079 -8.457 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.792 -7.750 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.387 -6.507 2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.244 -6.141 0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.259 -9.559 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.197 -9.946 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.067 -8.754 -0.210 1.00 0.00 H new ATOM 172 N GLU A 11 10.859 -5.917 3.941 1.00 0.00 N ATOM 173 CA GLU A 11 10.649 -5.192 5.191 1.00 0.00 C ATOM 174 C GLU A 11 11.446 -3.909 5.198 1.00 0.00 C ATOM 175 O GLU A 11 10.936 -2.845 5.537 1.00 0.00 O ATOM 176 CB GLU A 11 11.077 -6.056 6.371 1.00 0.00 C ATOM 177 CG GLU A 11 10.191 -7.253 6.621 1.00 0.00 C ATOM 178 CD GLU A 11 8.806 -6.836 6.988 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.608 -6.370 8.118 1.00 0.00 O ATOM 180 OE2 GLU A 11 7.894 -6.906 6.147 1.00 0.00 O ATOM 0 H GLU A 11 11.203 -6.869 4.069 1.00 0.00 H new ATOM 0 HA GLU A 11 9.589 -4.954 5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.096 -6.403 6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.096 -5.439 7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.160 -7.878 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.614 -7.860 7.421 1.00 0.00 H new ATOM 187 N ASN A 12 12.677 -4.031 4.780 1.00 0.00 N ATOM 188 CA ASN A 12 13.636 -2.941 4.713 1.00 0.00 C ATOM 189 C ASN A 12 13.101 -1.793 3.851 1.00 0.00 C ATOM 190 O ASN A 12 12.983 -0.655 4.310 1.00 0.00 O ATOM 191 CB ASN A 12 14.935 -3.492 4.109 1.00 0.00 C ATOM 192 CG ASN A 12 16.055 -2.492 3.981 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.171 -1.805 2.981 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.923 -2.466 4.943 1.00 0.00 N ATOM 0 H ASN A 12 13.062 -4.921 4.463 1.00 0.00 H new ATOM 0 HA ASN A 12 13.815 -2.546 5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.279 -4.323 4.724 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.715 -3.896 3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 12 17.738 -1.856 4.878 1.00 0.00 H new ATOM 0 HD22 ASN A 12 16.791 -3.056 5.765 1.00 0.00 H new ATOM 201 N LYS A 13 12.706 -2.134 2.641 1.00 0.00 N ATOM 202 CA LYS A 13 12.256 -1.172 1.651 1.00 0.00 C ATOM 203 C LYS A 13 10.876 -0.602 2.038 1.00 0.00 C ATOM 204 O LYS A 13 10.592 0.582 1.815 1.00 0.00 O ATOM 205 CB LYS A 13 12.212 -1.867 0.282 1.00 0.00 C ATOM 206 CG LYS A 13 12.113 -0.944 -0.930 1.00 0.00 C ATOM 207 CD LYS A 13 13.336 -0.039 -1.074 1.00 0.00 C ATOM 208 CE LYS A 13 14.649 -0.805 -1.287 1.00 0.00 C ATOM 209 NZ LYS A 13 14.693 -1.569 -2.566 1.00 0.00 N ATOM 0 H LYS A 13 12.688 -3.099 2.312 1.00 0.00 H new ATOM 0 HA LYS A 13 12.948 -0.331 1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.108 -2.478 0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.360 -2.546 0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.001 -1.545 -1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.217 -0.329 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.180 0.637 -1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.427 0.579 -0.181 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.479 -0.099 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.796 -1.495 -0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.497 -2.229 -2.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.808 -2.103 -2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.805 -0.908 -3.361 1.00 0.00 H new ATOM 223 N LYS A 14 10.041 -1.459 2.626 1.00 0.00 N ATOM 224 CA LYS A 14 8.717 -1.098 3.134 1.00 0.00 C ATOM 225 C LYS A 14 8.857 0.016 4.161 1.00 0.00 C ATOM 226 O LYS A 14 8.188 1.037 4.083 1.00 0.00 O ATOM 227 CB LYS A 14 8.084 -2.331 3.817 1.00 0.00 C ATOM 228 CG LYS A 14 6.663 -2.142 4.354 1.00 0.00 C ATOM 229 CD LYS A 14 6.182 -3.384 5.125 1.00 0.00 C ATOM 230 CE LYS A 14 6.865 -3.522 6.482 1.00 0.00 C ATOM 231 NZ LYS A 14 6.532 -4.799 7.161 1.00 0.00 N ATOM 0 H LYS A 14 10.270 -2.443 2.765 1.00 0.00 H new ATOM 0 HA LYS A 14 8.088 -0.763 2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.075 -3.154 3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.727 -2.634 4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.633 -1.271 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.984 -1.941 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.103 -3.325 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.377 -4.276 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.945 -3.456 6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.571 -2.688 7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.086 -4.881 8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.518 -4.816 7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.759 -5.596 6.532 1.00 0.00 H new ATOM 245 N LYS A 15 9.761 -0.193 5.096 1.00 0.00 N ATOM 246 CA LYS A 15 10.001 0.739 6.179 1.00 0.00 C ATOM 247 C LYS A 15 10.598 2.033 5.660 1.00 0.00 C ATOM 248 O LYS A 15 10.245 3.104 6.144 1.00 0.00 O ATOM 249 CB LYS A 15 10.858 0.105 7.288 1.00 0.00 C ATOM 250 CG LYS A 15 10.204 -1.120 7.944 1.00 0.00 C ATOM 251 CD LYS A 15 11.100 -1.818 8.988 1.00 0.00 C ATOM 252 CE LYS A 15 11.075 -1.174 10.391 1.00 0.00 C ATOM 253 NZ LYS A 15 11.587 0.215 10.441 1.00 0.00 N ATOM 0 H LYS A 15 10.355 -1.022 5.126 1.00 0.00 H new ATOM 0 HA LYS A 15 9.040 0.986 6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.821 -0.188 6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.058 0.854 8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.275 -0.811 8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.939 -1.838 7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.790 -2.859 9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.127 -1.821 8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.050 -1.183 10.762 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.665 -1.790 11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.009 0.396 11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.308 0.346 9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.803 0.880 10.281 1.00 0.00 H new ATOM 267 N GLU A 16 11.473 1.934 4.639 1.00 0.00 N ATOM 268 CA GLU A 16 12.027 3.126 3.986 1.00 0.00 C ATOM 269 C GLU A 16 10.902 3.988 3.424 1.00 0.00 C ATOM 270 O GLU A 16 10.920 5.223 3.521 1.00 0.00 O ATOM 271 CB GLU A 16 12.972 2.774 2.830 1.00 0.00 C ATOM 272 CG GLU A 16 14.287 2.135 3.196 1.00 0.00 C ATOM 273 CD GLU A 16 15.206 2.103 1.998 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.909 3.121 1.749 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.233 1.122 1.269 1.00 0.00 O ATOM 0 H GLU A 16 11.805 1.049 4.256 1.00 0.00 H new ATOM 0 HA GLU A 16 12.590 3.663 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.445 2.102 2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.182 3.687 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.756 2.691 4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.118 1.122 3.560 1.00 0.00 H new ATOM 282 N LEU A 17 9.928 3.328 2.841 1.00 0.00 N ATOM 283 CA LEU A 17 8.790 3.993 2.273 1.00 0.00 C ATOM 284 C LEU A 17 7.920 4.597 3.352 1.00 0.00 C ATOM 285 O LEU A 17 7.479 5.732 3.220 1.00 0.00 O ATOM 286 CB LEU A 17 7.958 3.037 1.464 1.00 0.00 C ATOM 287 CG LEU A 17 6.611 3.579 1.052 1.00 0.00 C ATOM 288 CD1 LEU A 17 6.673 4.478 -0.130 1.00 0.00 C ATOM 289 CD2 LEU A 17 5.585 2.510 0.970 1.00 0.00 C ATOM 0 H LEU A 17 9.907 2.312 2.750 1.00 0.00 H new ATOM 0 HA LEU A 17 9.170 4.784 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.514 2.759 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.808 2.125 2.042 1.00 0.00 H new ATOM 0 HG LEU A 17 6.274 4.237 1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.670 4.831 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.314 5.331 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.080 3.932 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.631 2.944 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.892 1.766 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.477 2.034 1.945 1.00 0.00 H new ATOM 301 N ILE A 18 7.664 3.826 4.408 1.00 0.00 N ATOM 302 CA ILE A 18 6.840 4.287 5.526 1.00 0.00 C ATOM 303 C ILE A 18 7.405 5.580 6.080 1.00 0.00 C ATOM 304 O ILE A 18 6.663 6.493 6.360 1.00 0.00 O ATOM 305 CB ILE A 18 6.714 3.219 6.655 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.039 1.956 6.107 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.906 3.775 7.855 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.160 0.761 7.016 1.00 0.00 C ATOM 0 H ILE A 18 8.017 2.875 4.513 1.00 0.00 H new ATOM 0 HA ILE A 18 5.834 4.460 5.143 1.00 0.00 H new ATOM 0 HB ILE A 18 7.716 2.969 7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.983 2.165 5.935 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.477 1.711 5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.832 3.011 8.629 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.411 4.653 8.258 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.906 4.053 7.523 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.659 -0.094 6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.213 0.525 7.169 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.696 0.986 7.976 1.00 0.00 H new ATOM 320 N GLN A 19 8.725 5.650 6.177 1.00 0.00 N ATOM 321 CA GLN A 19 9.427 6.860 6.604 1.00 0.00 C ATOM 322 C GLN A 19 9.047 8.039 5.718 1.00 0.00 C ATOM 323 O GLN A 19 8.732 9.123 6.207 1.00 0.00 O ATOM 324 CB GLN A 19 10.924 6.656 6.504 1.00 0.00 C ATOM 325 CG GLN A 19 11.474 5.611 7.427 1.00 0.00 C ATOM 326 CD GLN A 19 12.944 5.345 7.161 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.419 5.463 6.028 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.666 4.988 8.179 1.00 0.00 N ATOM 0 H GLN A 19 9.345 4.869 5.962 1.00 0.00 H new ATOM 0 HA GLN A 19 9.142 7.066 7.636 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.173 6.383 5.478 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.421 7.603 6.711 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.344 5.933 8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.909 4.686 7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.239 4.901 9.101 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.660 4.795 8.057 1.00 0.00 H new ATOM 337 N LEU A 20 9.051 7.804 4.423 1.00 0.00 N ATOM 338 CA LEU A 20 8.752 8.827 3.446 1.00 0.00 C ATOM 339 C LEU A 20 7.286 9.242 3.508 1.00 0.00 C ATOM 340 O LEU A 20 6.982 10.440 3.517 1.00 0.00 O ATOM 341 CB LEU A 20 9.149 8.367 2.043 1.00 0.00 C ATOM 342 CG LEU A 20 10.639 8.050 1.846 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.901 7.544 0.449 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.504 9.272 2.134 1.00 0.00 C ATOM 0 H LEU A 20 9.263 6.893 4.017 1.00 0.00 H new ATOM 0 HA LEU A 20 9.345 9.709 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.571 7.477 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.863 9.142 1.332 1.00 0.00 H new ATOM 0 HG LEU A 20 10.906 7.267 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.963 7.327 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.324 6.636 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.606 8.304 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.554 9.018 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.228 10.081 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.350 9.592 3.164 1.00 0.00 H new ATOM 356 N VAL A 21 6.379 8.266 3.569 1.00 0.00 N ATOM 357 CA VAL A 21 4.951 8.568 3.699 1.00 0.00 C ATOM 358 C VAL A 21 4.669 9.267 5.055 1.00 0.00 C ATOM 359 O VAL A 21 3.790 10.127 5.161 1.00 0.00 O ATOM 360 CB VAL A 21 4.101 7.279 3.600 1.00 0.00 C ATOM 361 CG1 VAL A 21 2.624 7.597 3.554 1.00 0.00 C ATOM 362 CG2 VAL A 21 4.500 6.472 2.391 1.00 0.00 C ATOM 0 H VAL A 21 6.602 7.271 3.531 1.00 0.00 H new ATOM 0 HA VAL A 21 4.675 9.235 2.882 1.00 0.00 H new ATOM 0 HB VAL A 21 4.291 6.687 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.054 6.670 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.338 8.131 4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.413 8.219 2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.891 5.569 2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.346 7.066 1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.552 6.196 2.469 1.00 0.00 H new ATOM 372 N ALA A 22 5.431 8.897 6.069 1.00 0.00 N ATOM 373 CA ALA A 22 5.303 9.475 7.395 1.00 0.00 C ATOM 374 C ALA A 22 5.725 10.936 7.394 1.00 0.00 C ATOM 375 O ALA A 22 4.933 11.817 7.779 1.00 0.00 O ATOM 376 CB ALA A 22 6.134 8.682 8.396 1.00 0.00 C ATOM 0 H ALA A 22 6.158 8.185 5.996 1.00 0.00 H new ATOM 0 HA ALA A 22 4.255 9.426 7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.030 9.125 9.387 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.785 7.650 8.422 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.182 8.704 8.097 1.00 0.00 H new ATOM 382 N ARG A 23 6.936 11.201 6.884 1.00 0.00 N ATOM 383 CA ARG A 23 7.488 12.555 6.847 1.00 0.00 C ATOM 384 C ARG A 23 6.713 13.460 5.909 1.00 0.00 C ATOM 385 O ARG A 23 6.847 14.678 5.977 1.00 0.00 O ATOM 386 CB ARG A 23 8.994 12.585 6.546 1.00 0.00 C ATOM 387 CG ARG A 23 9.397 12.010 5.202 1.00 0.00 C ATOM 388 CD ARG A 23 10.895 12.147 4.972 1.00 0.00 C ATOM 389 NE ARG A 23 11.304 13.559 4.901 1.00 0.00 N ATOM 390 CZ ARG A 23 12.552 14.028 5.043 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.554 13.200 5.344 1.00 0.00 N ATOM 392 NH2 ARG A 23 12.779 15.333 4.897 1.00 0.00 N ATOM 0 H ARG A 23 7.551 10.489 6.491 1.00 0.00 H new ATOM 0 HA ARG A 23 7.370 12.950 7.856 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.338 13.618 6.599 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.516 12.035 7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.114 10.959 5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.856 12.523 4.407 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.435 11.651 5.779 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.170 11.641 4.047 1.00 0.00 H new ATOM 0 HE ARG A 23 10.569 14.245 4.728 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.373 12.204 5.467 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.501 13.563 5.451 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.007 15.964 4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.724 15.701 5.003 1.00 0.00 H new ATOM 406 N HIS A 24 5.946 12.854 4.994 1.00 0.00 N ATOM 407 CA HIS A 24 5.013 13.588 4.138 1.00 0.00 C ATOM 408 C HIS A 24 4.136 14.492 5.005 1.00 0.00 C ATOM 409 O HIS A 24 3.951 15.666 4.715 1.00 0.00 O ATOM 410 CB HIS A 24 4.126 12.596 3.345 1.00 0.00 C ATOM 411 CG HIS A 24 2.929 13.219 2.671 1.00 0.00 C ATOM 412 ND1 HIS A 24 2.823 13.900 1.512 1.00 0.00 N flip ATOM 413 CD2 HIS A 24 1.666 13.203 3.214 1.00 0.00 C flip ATOM 414 CE1 HIS A 24 1.502 14.308 1.345 1.00 0.00 C flip ATOM 415 NE2 HIS A 24 0.860 13.861 2.396 1.00 0.00 N flip ATOM 0 H HIS A 24 5.956 11.848 4.829 1.00 0.00 H new ATOM 0 HA HIS A 24 5.575 14.197 3.430 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.739 12.108 2.587 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.779 11.818 4.024 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.381 12.735 4.145 1.00 0.00 H new ATOM 0 HE1 HIS A 24 1.093 14.874 0.522 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -0.136 14.002 2.563 1.00 0.00 H new ATOM 423 N GLY A 25 3.638 13.941 6.076 1.00 0.00 N ATOM 424 CA GLY A 25 2.810 14.697 6.947 1.00 0.00 C ATOM 425 C GLY A 25 1.789 13.852 7.629 1.00 0.00 C ATOM 426 O GLY A 25 0.630 14.250 7.748 1.00 0.00 O ATOM 0 H GLY A 25 3.795 12.974 6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.429 15.191 7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.309 15.481 6.379 1.00 0.00 H new ATOM 430 N LEU A 26 2.189 12.678 8.058 1.00 0.00 N ATOM 431 CA LEU A 26 1.292 11.830 8.786 1.00 0.00 C ATOM 432 C LEU A 26 1.387 12.068 10.259 1.00 0.00 C ATOM 433 O LEU A 26 2.382 12.620 10.766 1.00 0.00 O ATOM 434 CB LEU A 26 1.509 10.339 8.492 1.00 0.00 C ATOM 435 CG LEU A 26 1.044 9.836 7.136 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.082 8.318 7.041 1.00 0.00 C ATOM 437 CD2 LEU A 26 -0.313 10.390 6.768 1.00 0.00 C ATOM 0 H LEU A 26 3.124 12.296 7.914 1.00 0.00 H new ATOM 0 HA LEU A 26 0.292 12.095 8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.573 10.125 8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.997 9.762 9.263 1.00 0.00 H new ATOM 0 HG LEU A 26 1.755 10.212 6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.741 8.007 6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.102 7.969 7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.430 7.889 7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.610 10.007 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.045 10.085 7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.264 11.478 6.731 1.00 0.00 H new ATOM 449 N ASP A 27 0.340 11.689 10.936 1.00 0.00 N ATOM 450 CA ASP A 27 0.295 11.700 12.380 1.00 0.00 C ATOM 451 C ASP A 27 0.941 10.419 12.826 1.00 0.00 C ATOM 452 O ASP A 27 1.133 9.519 11.995 1.00 0.00 O ATOM 453 CB ASP A 27 -1.150 11.702 12.899 1.00 0.00 C ATOM 454 CG ASP A 27 -2.002 12.819 12.367 1.00 0.00 C ATOM 455 OD1 ASP A 27 -1.879 13.946 12.859 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.809 12.585 11.439 1.00 0.00 O ATOM 0 H ASP A 27 -0.520 11.358 10.499 1.00 0.00 H new ATOM 0 HA ASP A 27 0.794 12.592 12.759 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.617 10.751 12.641 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.132 11.763 13.987 1.00 0.00 H new ATOM 461 N HIS A 28 1.244 10.289 14.100 1.00 0.00 N ATOM 462 CA HIS A 28 1.859 9.059 14.599 1.00 0.00 C ATOM 463 C HIS A 28 0.906 7.890 14.362 1.00 0.00 C ATOM 464 O HIS A 28 1.310 6.827 13.893 1.00 0.00 O ATOM 465 CB HIS A 28 2.208 9.176 16.089 1.00 0.00 C ATOM 466 CG HIS A 28 2.982 8.007 16.638 1.00 0.00 C ATOM 467 ND1 HIS A 28 2.427 6.981 17.374 1.00 0.00 N ATOM 468 CD2 HIS A 28 4.304 7.727 16.554 1.00 0.00 C ATOM 469 CE1 HIS A 28 3.403 6.136 17.705 1.00 0.00 C ATOM 470 NE2 HIS A 28 4.567 6.542 17.234 1.00 0.00 N ATOM 0 H HIS A 28 1.081 11.005 14.808 1.00 0.00 H new ATOM 0 HA HIS A 28 2.790 8.887 14.059 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.788 10.086 16.244 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.285 9.286 16.659 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.039 8.329 16.040 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.260 5.235 18.284 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.471 6.083 17.345 1.00 0.00 H new ATOM 478 N ASP A 29 -0.374 8.139 14.623 1.00 0.00 N ATOM 479 CA ASP A 29 -1.422 7.148 14.410 1.00 0.00 C ATOM 480 C ASP A 29 -1.525 6.755 12.953 1.00 0.00 C ATOM 481 O ASP A 29 -1.713 5.592 12.642 1.00 0.00 O ATOM 482 CB ASP A 29 -2.786 7.619 14.940 1.00 0.00 C ATOM 483 CG ASP A 29 -3.258 8.945 14.386 1.00 0.00 C ATOM 484 OD1 ASP A 29 -3.790 8.997 13.267 1.00 0.00 O ATOM 485 OD2 ASP A 29 -3.107 9.965 15.082 1.00 0.00 O ATOM 0 H ASP A 29 -0.712 9.030 14.987 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.135 6.267 14.983 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.532 6.859 14.709 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.732 7.693 16.026 1.00 0.00 H new ATOM 490 N LYS A 30 -1.352 7.715 12.072 1.00 0.00 N ATOM 491 CA LYS A 30 -1.403 7.462 10.639 1.00 0.00 C ATOM 492 C LYS A 30 -0.303 6.513 10.227 1.00 0.00 C ATOM 493 O LYS A 30 -0.560 5.560 9.524 1.00 0.00 O ATOM 494 CB LYS A 30 -1.316 8.756 9.837 1.00 0.00 C ATOM 495 CG LYS A 30 -2.466 9.715 10.051 1.00 0.00 C ATOM 496 CD LYS A 30 -3.823 9.097 9.798 1.00 0.00 C ATOM 497 CE LYS A 30 -4.927 10.104 10.072 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.793 10.720 11.414 1.00 0.00 N ATOM 0 H LYS A 30 -1.173 8.688 12.320 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.366 7.000 10.421 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.386 9.264 10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.262 8.507 8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.431 10.089 11.074 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.339 10.575 9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.885 8.752 8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.955 8.222 10.435 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.904 10.884 9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.896 9.611 9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.736 10.957 11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.328 10.050 12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.221 11.586 11.343 1.00 0.00 H new ATOM 512 N VAL A 31 0.913 6.766 10.698 1.00 0.00 N ATOM 513 CA VAL A 31 2.053 5.909 10.416 1.00 0.00 C ATOM 514 C VAL A 31 1.773 4.486 10.921 1.00 0.00 C ATOM 515 O VAL A 31 2.077 3.506 10.238 1.00 0.00 O ATOM 516 CB VAL A 31 3.353 6.454 11.081 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.570 5.618 10.710 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.572 7.911 10.716 1.00 0.00 C ATOM 0 H VAL A 31 1.134 7.570 11.285 1.00 0.00 H new ATOM 0 HA VAL A 31 2.204 5.895 9.337 1.00 0.00 H new ATOM 0 HB VAL A 31 3.223 6.382 12.161 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.456 6.030 11.193 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.421 4.591 11.042 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.706 5.634 9.629 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.485 8.272 11.190 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.664 8.005 9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.725 8.504 11.061 1.00 0.00 H new ATOM 528 N LEU A 32 1.157 4.388 12.093 1.00 0.00 N ATOM 529 CA LEU A 32 0.816 3.099 12.688 1.00 0.00 C ATOM 530 C LEU A 32 -0.208 2.359 11.839 1.00 0.00 C ATOM 531 O LEU A 32 0.004 1.203 11.463 1.00 0.00 O ATOM 532 CB LEU A 32 0.266 3.276 14.106 1.00 0.00 C ATOM 533 CG LEU A 32 1.153 4.026 15.096 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.536 4.010 16.472 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.559 3.453 15.123 1.00 0.00 C ATOM 0 H LEU A 32 0.881 5.193 12.655 1.00 0.00 H new ATOM 0 HA LEU A 32 1.733 2.511 12.733 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.687 3.800 14.038 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.058 2.288 14.516 1.00 0.00 H new ATOM 0 HG LEU A 32 1.229 5.062 14.764 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.181 4.549 17.166 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.442 4.490 16.438 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.423 2.979 16.808 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.165 4.009 15.838 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.519 2.405 15.419 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.004 3.533 14.131 1.00 0.00 H new ATOM 547 N LEU A 33 -1.293 3.038 11.517 1.00 0.00 N ATOM 548 CA LEU A 33 -2.374 2.468 10.731 1.00 0.00 C ATOM 549 C LEU A 33 -1.886 2.101 9.335 1.00 0.00 C ATOM 550 O LEU A 33 -2.198 1.028 8.823 1.00 0.00 O ATOM 551 CB LEU A 33 -3.542 3.449 10.640 1.00 0.00 C ATOM 552 CG LEU A 33 -4.184 3.875 11.966 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.241 4.937 11.725 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.785 2.681 12.692 1.00 0.00 C ATOM 0 H LEU A 33 -1.451 4.007 11.795 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.717 1.561 11.228 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.195 4.345 10.126 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.315 3.002 10.015 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.403 4.296 12.600 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.687 5.229 12.676 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.782 5.808 11.257 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.014 4.538 11.069 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.233 3.013 13.629 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.550 2.222 12.066 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.003 1.952 12.902 1.00 0.00 H new ATOM 566 N PHE A 34 -1.094 2.981 8.755 1.00 0.00 N ATOM 567 CA PHE A 34 -0.522 2.782 7.440 1.00 0.00 C ATOM 568 C PHE A 34 0.375 1.553 7.410 1.00 0.00 C ATOM 569 O PHE A 34 0.155 0.646 6.620 1.00 0.00 O ATOM 570 CB PHE A 34 0.267 4.036 7.010 1.00 0.00 C ATOM 571 CG PHE A 34 1.001 3.896 5.712 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.313 3.840 4.526 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.382 3.801 5.686 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.974 3.698 3.331 1.00 0.00 C ATOM 575 CE2 PHE A 34 3.053 3.658 4.494 1.00 0.00 C ATOM 576 CZ PHE A 34 2.349 3.603 3.313 1.00 0.00 C ATOM 0 H PHE A 34 -0.827 3.864 9.190 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.337 2.617 6.736 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.424 4.875 6.933 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.984 4.284 7.793 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.765 3.909 4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.938 3.840 6.611 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.417 3.661 2.406 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.131 3.589 4.485 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.872 3.486 2.375 1.00 0.00 H new ATOM 586 N SER A 35 1.347 1.510 8.305 1.00 0.00 N ATOM 587 CA SER A 35 2.328 0.445 8.314 1.00 0.00 C ATOM 588 C SER A 35 1.701 -0.927 8.559 1.00 0.00 C ATOM 589 O SER A 35 2.134 -1.923 7.979 1.00 0.00 O ATOM 590 CB SER A 35 3.434 0.744 9.327 1.00 0.00 C ATOM 591 OG SER A 35 2.899 1.006 10.622 1.00 0.00 O ATOM 0 H SER A 35 1.476 2.207 9.039 1.00 0.00 H new ATOM 0 HA SER A 35 2.772 0.404 7.319 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.119 -0.102 9.380 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.014 1.604 8.991 1.00 0.00 H new ATOM 0 HG SER A 35 2.616 1.943 10.676 1.00 0.00 H new ATOM 597 N ARG A 36 0.679 -0.976 9.393 1.00 0.00 N ATOM 598 CA ARG A 36 0.028 -2.235 9.692 1.00 0.00 C ATOM 599 C ARG A 36 -0.852 -2.706 8.524 1.00 0.00 C ATOM 600 O ARG A 36 -0.878 -3.897 8.203 1.00 0.00 O ATOM 601 CB ARG A 36 -0.744 -2.165 11.011 1.00 0.00 C ATOM 602 CG ARG A 36 -1.976 -1.278 11.014 1.00 0.00 C ATOM 603 CD ARG A 36 -2.520 -1.099 12.419 1.00 0.00 C ATOM 604 NE ARG A 36 -2.689 -2.382 13.121 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.412 -2.576 14.230 1.00 0.00 C ATOM 606 NH1 ARG A 36 -4.277 -1.653 14.651 1.00 0.00 N ATOM 607 NH2 ARG A 36 -3.303 -3.716 14.881 1.00 0.00 N ATOM 0 H ARG A 36 0.285 -0.166 9.871 1.00 0.00 H new ATOM 0 HA ARG A 36 0.805 -2.988 9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.047 -3.175 11.286 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.065 -1.813 11.788 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.728 -0.305 10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.744 -1.716 10.377 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.844 -0.462 12.989 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.480 -0.584 12.372 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.213 -3.194 12.728 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.394 -0.786 14.126 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.822 -1.814 15.498 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.672 -4.441 14.539 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.850 -3.874 15.728 1.00 0.00 H new ATOM 621 N ASP A 37 -1.521 -1.759 7.860 1.00 0.00 N ATOM 622 CA ASP A 37 -2.399 -2.081 6.717 1.00 0.00 C ATOM 623 C ASP A 37 -1.530 -2.539 5.564 1.00 0.00 C ATOM 624 O ASP A 37 -1.845 -3.496 4.851 1.00 0.00 O ATOM 625 CB ASP A 37 -3.195 -0.833 6.300 1.00 0.00 C ATOM 626 CG ASP A 37 -4.359 -1.126 5.357 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.487 -1.400 5.863 1.00 0.00 O ATOM 628 OD2 ASP A 37 -4.200 -1.060 4.129 1.00 0.00 O ATOM 0 H ASP A 37 -1.476 -0.766 8.088 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.102 -2.866 6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.580 -0.344 7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.519 -0.128 5.818 1.00 0.00 H new ATOM 633 N LEU A 38 -0.406 -1.861 5.437 1.00 0.00 N ATOM 634 CA LEU A 38 0.609 -2.142 4.446 1.00 0.00 C ATOM 635 C LEU A 38 1.229 -3.499 4.670 1.00 0.00 C ATOM 636 O LEU A 38 1.420 -4.260 3.724 1.00 0.00 O ATOM 637 CB LEU A 38 1.661 -1.029 4.499 1.00 0.00 C ATOM 638 CG LEU A 38 2.923 -1.163 3.650 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.595 -1.538 2.229 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.635 0.160 3.650 1.00 0.00 C ATOM 0 H LEU A 38 -0.169 -1.074 6.041 1.00 0.00 H new ATOM 0 HA LEU A 38 0.157 -2.166 3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.170 -0.098 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.973 -0.920 5.538 1.00 0.00 H new ATOM 0 HG LEU A 38 3.547 -1.950 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.517 -1.625 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.068 -2.492 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.962 -0.769 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.541 0.086 3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.982 0.925 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.900 0.431 4.672 1.00 0.00 H new ATOM 652 N ASP A 39 1.531 -3.806 5.913 1.00 0.00 N ATOM 653 CA ASP A 39 2.122 -5.088 6.244 1.00 0.00 C ATOM 654 C ASP A 39 1.170 -6.201 5.859 1.00 0.00 C ATOM 655 O ASP A 39 1.563 -7.175 5.221 1.00 0.00 O ATOM 656 CB ASP A 39 2.478 -5.178 7.721 1.00 0.00 C ATOM 657 CG ASP A 39 3.269 -6.423 8.032 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.487 -6.428 7.785 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.702 -7.401 8.539 1.00 0.00 O ATOM 0 H ASP A 39 1.378 -3.188 6.710 1.00 0.00 H new ATOM 0 HA ASP A 39 3.049 -5.192 5.680 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.055 -4.299 8.010 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.565 -5.170 8.316 1.00 0.00 H new ATOM 664 N LYS A 40 -0.098 -6.025 6.188 1.00 0.00 N ATOM 665 CA LYS A 40 -1.116 -6.989 5.815 1.00 0.00 C ATOM 666 C LYS A 40 -1.315 -7.072 4.312 1.00 0.00 C ATOM 667 O LYS A 40 -1.557 -8.150 3.788 1.00 0.00 O ATOM 668 CB LYS A 40 -2.436 -6.736 6.518 1.00 0.00 C ATOM 669 CG LYS A 40 -2.433 -7.150 7.967 1.00 0.00 C ATOM 670 CD LYS A 40 -3.791 -6.958 8.601 1.00 0.00 C ATOM 671 CE LYS A 40 -3.848 -7.601 9.981 1.00 0.00 C ATOM 672 NZ LYS A 40 -3.631 -9.062 9.921 1.00 0.00 N ATOM 0 H LYS A 40 -0.446 -5.223 6.713 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.743 -7.957 6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.677 -5.675 6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.226 -7.275 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.138 -8.196 8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.690 -6.567 8.512 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.010 -5.893 8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.559 -7.393 7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.092 -7.148 10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.817 -7.397 10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.047 -9.510 10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.082 -9.445 9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.611 -9.260 9.892 1.00 0.00 H new ATOM 686 N LEU A 41 -1.200 -5.945 3.625 1.00 0.00 N ATOM 687 CA LEU A 41 -1.307 -5.915 2.173 1.00 0.00 C ATOM 688 C LEU A 41 -0.177 -6.729 1.555 1.00 0.00 C ATOM 689 O LEU A 41 -0.391 -7.514 0.626 1.00 0.00 O ATOM 690 CB LEU A 41 -1.289 -4.472 1.650 1.00 0.00 C ATOM 691 CG LEU A 41 -1.378 -4.304 0.126 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.648 -4.933 -0.423 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.306 -2.837 -0.254 1.00 0.00 C ATOM 0 H LEU A 41 -1.032 -5.034 4.052 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.260 -6.359 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.120 -3.932 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.372 -3.994 1.995 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.527 -4.821 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.683 -4.798 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.657 -5.998 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.516 -4.455 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.371 -2.738 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.134 -2.300 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.362 -2.417 0.093 1.00 0.00 H new ATOM 705 N ILE A 42 1.005 -6.572 2.101 1.00 0.00 N ATOM 706 CA ILE A 42 2.147 -7.324 1.652 1.00 0.00 C ATOM 707 C ILE A 42 1.959 -8.803 1.959 1.00 0.00 C ATOM 708 O ILE A 42 2.074 -9.623 1.067 1.00 0.00 O ATOM 709 CB ILE A 42 3.484 -6.765 2.221 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.727 -5.370 1.636 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.661 -7.695 1.910 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.997 -4.704 2.100 1.00 0.00 C ATOM 0 H ILE A 42 1.200 -5.923 2.864 1.00 0.00 H new ATOM 0 HA ILE A 42 2.219 -7.213 0.570 1.00 0.00 H new ATOM 0 HB ILE A 42 3.406 -6.702 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.749 -5.446 0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.883 -4.731 1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.577 -7.273 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.480 -8.673 2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.765 -7.802 0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.084 -3.722 1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.973 -4.591 3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.853 -5.317 1.818 1.00 0.00 H new ATOM 724 N ASN A 43 1.588 -9.133 3.201 1.00 0.00 N ATOM 725 CA ASN A 43 1.324 -10.544 3.589 1.00 0.00 C ATOM 726 C ASN A 43 0.260 -11.172 2.696 1.00 0.00 C ATOM 727 O ASN A 43 0.356 -12.341 2.340 1.00 0.00 O ATOM 728 CB ASN A 43 0.901 -10.695 5.070 1.00 0.00 C ATOM 729 CG ASN A 43 2.043 -10.587 6.079 1.00 0.00 C ATOM 730 OD1 ASN A 43 2.687 -11.580 6.423 1.00 0.00 O ATOM 731 ND2 ASN A 43 2.304 -9.415 6.557 1.00 0.00 N ATOM 0 H ASN A 43 1.462 -8.458 3.955 1.00 0.00 H new ATOM 0 HA ASN A 43 2.271 -11.068 3.458 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.158 -9.931 5.300 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.414 -11.662 5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.057 -9.297 7.235 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.757 -8.608 6.257 1.00 0.00 H new ATOM 738 N LYS A 44 -0.724 -10.365 2.319 1.00 0.00 N ATOM 739 CA LYS A 44 -1.820 -10.774 1.441 1.00 0.00 C ATOM 740 C LYS A 44 -1.279 -11.283 0.101 1.00 0.00 C ATOM 741 O LYS A 44 -1.642 -12.359 -0.352 1.00 0.00 O ATOM 742 CB LYS A 44 -2.746 -9.574 1.191 1.00 0.00 C ATOM 743 CG LYS A 44 -3.991 -9.872 0.365 1.00 0.00 C ATOM 744 CD LYS A 44 -4.712 -8.585 -0.063 1.00 0.00 C ATOM 745 CE LYS A 44 -5.103 -7.696 1.121 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.804 -6.466 0.676 1.00 0.00 N ATOM 0 H LYS A 44 -0.786 -9.392 2.618 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.373 -11.580 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.058 -9.170 2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.175 -8.794 0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.712 -10.444 -0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.672 -10.495 0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.067 -8.021 -0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.608 -8.847 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.746 -8.256 1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.209 -7.423 1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.053 -5.889 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.181 -5.919 0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.670 -6.727 0.163 1.00 0.00 H new ATOM 760 N PHE A 45 -0.403 -10.510 -0.507 1.00 0.00 N ATOM 761 CA PHE A 45 0.163 -10.861 -1.801 1.00 0.00 C ATOM 762 C PHE A 45 1.308 -11.851 -1.691 1.00 0.00 C ATOM 763 O PHE A 45 1.529 -12.656 -2.599 1.00 0.00 O ATOM 764 CB PHE A 45 0.578 -9.620 -2.587 1.00 0.00 C ATOM 765 CG PHE A 45 -0.570 -8.909 -3.250 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.421 -8.088 -2.528 1.00 0.00 C ATOM 767 CD2 PHE A 45 -0.804 -9.081 -4.606 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.478 -7.450 -3.146 1.00 0.00 C ATOM 769 CE2 PHE A 45 -1.861 -8.448 -5.227 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.698 -7.630 -4.496 1.00 0.00 C ATOM 0 H PHE A 45 -0.063 -9.627 -0.125 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.630 -11.361 -2.357 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.082 -8.927 -1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.303 -9.909 -3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.256 -7.946 -1.470 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.151 -9.718 -5.183 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.132 -6.810 -2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.033 -8.592 -6.283 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.525 -7.131 -4.980 1.00 0.00 H new ATOM 780 N MET A 46 2.012 -11.813 -0.576 1.00 0.00 N ATOM 781 CA MET A 46 3.128 -12.728 -0.336 1.00 0.00 C ATOM 782 C MET A 46 2.603 -14.114 -0.114 1.00 0.00 C ATOM 783 O MET A 46 3.254 -15.095 -0.472 1.00 0.00 O ATOM 784 CB MET A 46 3.947 -12.293 0.889 1.00 0.00 C ATOM 785 CG MET A 46 4.756 -11.020 0.693 1.00 0.00 C ATOM 786 SD MET A 46 6.183 -11.233 -0.378 1.00 0.00 S ATOM 787 CE MET A 46 7.197 -12.279 0.658 1.00 0.00 C ATOM 0 H MET A 46 1.835 -11.158 0.185 1.00 0.00 H new ATOM 0 HA MET A 46 3.778 -12.710 -1.211 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.269 -12.150 1.730 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.626 -13.101 1.160 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.109 -10.249 0.274 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.092 -10.660 1.665 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.245 -12.155 0.385 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.059 -12.000 1.703 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.906 -13.320 0.519 1.00 0.00 H new ATOM 1151 N LEU B 6 9.137 15.219 -2.686 1.00 0.00 N ATOM 1152 CA LEU B 6 8.947 14.252 -1.630 1.00 0.00 C ATOM 1153 C LEU B 6 8.134 13.073 -2.173 1.00 0.00 C ATOM 1154 O LEU B 6 8.479 11.908 -1.954 1.00 0.00 O ATOM 1155 CB LEU B 6 8.265 14.973 -0.424 1.00 0.00 C ATOM 1156 CG LEU B 6 7.869 14.170 0.845 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.610 13.360 0.634 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.010 13.281 1.321 1.00 0.00 C ATOM 0 HA LEU B 6 9.893 13.843 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.934 15.772 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.359 15.448 -0.802 1.00 0.00 H new ATOM 0 HG LEU B 6 7.661 14.901 1.626 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.371 12.815 1.547 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.786 14.028 0.383 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.765 12.653 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.698 12.734 2.211 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.273 12.574 0.534 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.877 13.898 1.560 1.00 0.00 H new ATOM 1170 N LYS B 7 7.092 13.390 -2.918 1.00 0.00 N ATOM 1171 CA LYS B 7 6.207 12.394 -3.499 1.00 0.00 C ATOM 1172 C LYS B 7 6.954 11.533 -4.502 1.00 0.00 C ATOM 1173 O LYS B 7 6.702 10.335 -4.600 1.00 0.00 O ATOM 1174 CB LYS B 7 5.018 13.071 -4.171 1.00 0.00 C ATOM 1175 CG LYS B 7 3.667 12.527 -3.733 1.00 0.00 C ATOM 1176 CD LYS B 7 3.429 11.074 -4.159 1.00 0.00 C ATOM 1177 CE LYS B 7 3.333 10.922 -5.669 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.179 11.642 -6.238 1.00 0.00 N ATOM 0 H LYS B 7 6.833 14.351 -3.139 1.00 0.00 H new ATOM 0 HA LYS B 7 5.841 11.752 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.054 14.140 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.111 12.957 -5.251 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.590 12.597 -2.648 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.879 13.154 -4.150 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.241 10.451 -3.785 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.510 10.710 -3.700 1.00 0.00 H new ATOM 0 HE2 LYS B 7 4.250 11.293 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.257 9.864 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.048 11.359 -7.230 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.323 11.409 -5.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.351 12.667 -6.190 1.00 0.00 H new ATOM 1192 N ASN B 8 7.878 12.148 -5.230 1.00 0.00 N ATOM 1193 CA ASN B 8 8.709 11.426 -6.197 1.00 0.00 C ATOM 1194 C ASN B 8 9.513 10.343 -5.482 1.00 0.00 C ATOM 1195 O ASN B 8 9.644 9.227 -5.971 1.00 0.00 O ATOM 1196 CB ASN B 8 9.676 12.372 -6.928 1.00 0.00 C ATOM 1197 CG ASN B 8 10.508 11.651 -7.990 1.00 0.00 C ATOM 1198 OD1 ASN B 8 10.043 10.701 -8.632 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.740 12.062 -8.158 1.00 0.00 N ATOM 0 H ASN B 8 8.074 13.147 -5.172 1.00 0.00 H new ATOM 0 HA ASN B 8 8.044 10.976 -6.934 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.108 13.174 -7.399 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.343 12.837 -6.202 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.346 11.596 -8.834 1.00 0.00 H new ATOM 0 HD22 ASN B 8 12.094 12.848 -7.613 1.00 0.00 H new ATOM 1206 N LYS B 9 10.010 10.670 -4.299 1.00 0.00 N ATOM 1207 CA LYS B 9 10.785 9.723 -3.517 1.00 0.00 C ATOM 1208 C LYS B 9 9.888 8.632 -2.932 1.00 0.00 C ATOM 1209 O LYS B 9 10.309 7.479 -2.805 1.00 0.00 O ATOM 1210 CB LYS B 9 11.588 10.421 -2.422 1.00 0.00 C ATOM 1211 CG LYS B 9 12.571 11.443 -2.958 1.00 0.00 C ATOM 1212 CD LYS B 9 13.481 11.975 -1.871 1.00 0.00 C ATOM 1213 CE LYS B 9 14.474 12.972 -2.442 1.00 0.00 C ATOM 1214 NZ LYS B 9 15.491 13.378 -1.449 1.00 0.00 N ATOM 0 H LYS B 9 9.890 11.583 -3.861 1.00 0.00 H new ATOM 0 HA LYS B 9 11.498 9.248 -4.191 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.900 10.914 -1.735 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.131 9.672 -1.846 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.173 10.990 -3.746 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.024 12.270 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.886 12.452 -1.093 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.016 11.150 -1.402 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.969 12.533 -3.308 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.939 13.854 -2.793 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 16.147 14.059 -1.882 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.022 13.821 -0.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 16.020 12.541 -1.132 1.00 0.00 H new ATOM 1228 N ILE B 10 8.655 8.999 -2.577 1.00 0.00 N ATOM 1229 CA ILE B 10 7.662 8.022 -2.119 1.00 0.00 C ATOM 1230 C ILE B 10 7.408 7.026 -3.233 1.00 0.00 C ATOM 1231 O ILE B 10 7.495 5.820 -3.019 1.00 0.00 O ATOM 1232 CB ILE B 10 6.317 8.693 -1.684 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.520 9.530 -0.413 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.205 7.657 -1.486 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.254 10.183 0.110 1.00 0.00 C ATOM 0 H ILE B 10 8.320 9.962 -2.597 1.00 0.00 H new ATOM 0 HA ILE B 10 8.063 7.520 -1.238 1.00 0.00 H new ATOM 0 HB ILE B 10 6.001 9.357 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE B 10 6.935 8.891 0.367 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.258 10.306 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.287 8.162 -1.184 1.00 0.00 H new ATOM 0 HG22 ILE B 10 5.035 7.123 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.501 6.949 -0.712 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.484 10.755 1.009 1.00 0.00 H new ATOM 0 HD12 ILE B 10 4.848 10.850 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.519 9.414 0.348 1.00 0.00 H new ATOM 1247 N GLU B 11 7.147 7.549 -4.431 1.00 0.00 N ATOM 1248 CA GLU B 11 6.951 6.728 -5.617 1.00 0.00 C ATOM 1249 C GLU B 11 8.127 5.830 -5.829 1.00 0.00 C ATOM 1250 O GLU B 11 7.975 4.624 -5.973 1.00 0.00 O ATOM 1251 CB GLU B 11 6.756 7.590 -6.861 1.00 0.00 C ATOM 1252 CG GLU B 11 5.445 8.320 -6.900 1.00 0.00 C ATOM 1253 CD GLU B 11 4.308 7.360 -6.806 1.00 0.00 C ATOM 1254 OE1 GLU B 11 4.253 6.402 -7.613 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.482 7.484 -5.882 1.00 0.00 O ATOM 0 H GLU B 11 7.066 8.551 -4.602 1.00 0.00 H new ATOM 0 HA GLU B 11 6.054 6.131 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.566 8.317 -6.917 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.834 6.957 -7.745 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.395 9.033 -6.077 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.369 8.893 -7.824 1.00 0.00 H new ATOM 1262 N ASN B 12 9.285 6.433 -5.795 1.00 0.00 N ATOM 1263 CA ASN B 12 10.557 5.777 -6.006 1.00 0.00 C ATOM 1264 C ASN B 12 10.731 4.577 -5.073 1.00 0.00 C ATOM 1265 O ASN B 12 11.032 3.465 -5.523 1.00 0.00 O ATOM 1266 CB ASN B 12 11.681 6.782 -5.743 1.00 0.00 C ATOM 1267 CG ASN B 12 13.045 6.285 -6.128 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.746 5.650 -5.339 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.456 6.619 -7.314 1.00 0.00 N ATOM 0 H ASN B 12 9.377 7.432 -5.613 1.00 0.00 H new ATOM 0 HA ASN B 12 10.592 5.416 -7.034 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.471 7.699 -6.293 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.684 7.039 -4.684 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.392 6.355 -7.623 1.00 0.00 H new ATOM 0 HD22 ASN B 12 12.843 7.145 -7.937 1.00 0.00 H new ATOM 1276 N LYS B 13 10.486 4.797 -3.794 1.00 0.00 N ATOM 1277 CA LYS B 13 10.725 3.786 -2.784 1.00 0.00 C ATOM 1278 C LYS B 13 9.620 2.710 -2.793 1.00 0.00 C ATOM 1279 O LYS B 13 9.905 1.521 -2.656 1.00 0.00 O ATOM 1280 CB LYS B 13 10.860 4.450 -1.406 1.00 0.00 C ATOM 1281 CG LYS B 13 11.594 3.612 -0.362 1.00 0.00 C ATOM 1282 CD LYS B 13 13.040 3.312 -0.789 1.00 0.00 C ATOM 1283 CE LYS B 13 13.937 4.552 -0.852 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.374 5.016 0.496 1.00 0.00 N ATOM 0 H LYS B 13 10.118 5.676 -3.429 1.00 0.00 H new ATOM 0 HA LYS B 13 11.661 3.276 -3.013 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.384 5.398 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.863 4.682 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.598 4.140 0.591 1.00 0.00 H new ATOM 0 HG3 LYS B 13 11.059 2.675 -0.205 1.00 0.00 H new ATOM 0 HD2 LYS B 13 13.474 2.597 -0.091 1.00 0.00 H new ATOM 0 HD3 LYS B 13 13.028 2.834 -1.769 1.00 0.00 H new ATOM 0 HE2 LYS B 13 14.816 4.329 -1.457 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.401 5.358 -1.353 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.019 5.826 0.392 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 13.543 5.304 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.866 4.242 0.987 1.00 0.00 H new ATOM 1298 N LYS B 14 8.378 3.146 -2.960 1.00 0.00 N ATOM 1299 CA LYS B 14 7.217 2.282 -3.086 1.00 0.00 C ATOM 1300 C LYS B 14 7.408 1.337 -4.270 1.00 0.00 C ATOM 1301 O LYS B 14 7.249 0.136 -4.139 1.00 0.00 O ATOM 1302 CB LYS B 14 5.968 3.168 -3.293 1.00 0.00 C ATOM 1303 CG LYS B 14 4.677 2.428 -3.607 1.00 0.00 C ATOM 1304 CD LYS B 14 3.564 3.385 -4.055 1.00 0.00 C ATOM 1305 CE LYS B 14 3.791 3.904 -5.462 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.780 4.914 -5.868 1.00 0.00 N ATOM 0 H LYS B 14 8.147 4.138 -3.013 1.00 0.00 H new ATOM 0 HA LYS B 14 7.090 1.681 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.814 3.763 -2.392 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.171 3.866 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.861 1.693 -4.391 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.350 1.878 -2.725 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.604 2.871 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.509 4.226 -3.363 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.786 4.345 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.766 3.069 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.918 5.161 -6.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.826 4.522 -5.737 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.887 5.767 -5.283 1.00 0.00 H new ATOM 1320 N LYS B 15 7.791 1.901 -5.406 1.00 0.00 N ATOM 1321 CA LYS B 15 8.043 1.137 -6.622 1.00 0.00 C ATOM 1322 C LYS B 15 9.185 0.143 -6.430 1.00 0.00 C ATOM 1323 O LYS B 15 9.099 -0.996 -6.901 1.00 0.00 O ATOM 1324 CB LYS B 15 8.287 2.078 -7.802 1.00 0.00 C ATOM 1325 CG LYS B 15 7.015 2.731 -8.373 1.00 0.00 C ATOM 1326 CD LYS B 15 7.358 3.985 -9.176 1.00 0.00 C ATOM 1327 CE LYS B 15 6.251 4.415 -10.152 1.00 0.00 C ATOM 1328 NZ LYS B 15 4.934 4.702 -9.516 1.00 0.00 N ATOM 0 H LYS B 15 7.937 2.905 -5.512 1.00 0.00 H new ATOM 0 HA LYS B 15 7.155 0.547 -6.849 1.00 0.00 H new ATOM 0 HB2 LYS B 15 8.973 2.864 -7.487 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.783 1.521 -8.597 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.491 2.019 -9.010 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.338 2.990 -7.559 1.00 0.00 H new ATOM 0 HD2 LYS B 15 7.560 4.804 -8.486 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.276 3.807 -9.737 1.00 0.00 H new ATOM 0 HE2 LYS B 15 6.583 5.306 -10.686 1.00 0.00 H new ATOM 0 HE3 LYS B 15 6.116 3.629 -10.895 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 4.241 4.951 -10.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 4.606 3.860 -9.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 5.035 5.496 -8.852 1.00 0.00 H new ATOM 1342 N GLU B 16 10.227 0.569 -5.713 1.00 0.00 N ATOM 1343 CA GLU B 16 11.344 -0.307 -5.330 1.00 0.00 C ATOM 1344 C GLU B 16 10.849 -1.507 -4.522 1.00 0.00 C ATOM 1345 O GLU B 16 11.303 -2.645 -4.707 1.00 0.00 O ATOM 1346 CB GLU B 16 12.368 0.472 -4.505 1.00 0.00 C ATOM 1347 CG GLU B 16 13.466 1.132 -5.302 1.00 0.00 C ATOM 1348 CD GLU B 16 14.385 0.102 -5.886 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.035 -0.627 -5.095 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.471 -0.022 -7.120 1.00 0.00 O ATOM 0 H GLU B 16 10.323 1.528 -5.380 1.00 0.00 H new ATOM 0 HA GLU B 16 11.812 -0.670 -6.245 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.844 1.239 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU B 16 12.822 -0.207 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.032 1.734 -6.100 1.00 0.00 H new ATOM 0 HG3 GLU B 16 14.030 1.810 -4.662 1.00 0.00 H new ATOM 1357 N LEU B 17 9.924 -1.246 -3.637 1.00 0.00 N ATOM 1358 CA LEU B 17 9.342 -2.272 -2.817 1.00 0.00 C ATOM 1359 C LEU B 17 8.495 -3.208 -3.649 1.00 0.00 C ATOM 1360 O LEU B 17 8.567 -4.428 -3.477 1.00 0.00 O ATOM 1361 CB LEU B 17 8.564 -1.633 -1.636 1.00 0.00 C ATOM 1362 CG LEU B 17 7.586 -2.506 -0.827 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.272 -2.685 -1.530 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.210 -3.825 -0.401 1.00 0.00 C ATOM 0 H LEU B 17 9.552 -0.312 -3.465 1.00 0.00 H new ATOM 0 HA LEU B 17 10.133 -2.883 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.298 -1.228 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.001 -0.788 -2.032 1.00 0.00 H new ATOM 0 HG LEU B 17 7.367 -1.964 0.093 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.616 -3.307 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.807 -1.711 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.438 -3.166 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.482 -4.405 0.166 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.513 -4.387 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.083 -3.630 0.222 1.00 0.00 H new ATOM 1376 N ILE B 18 7.709 -2.643 -4.545 1.00 0.00 N ATOM 1377 CA ILE B 18 6.835 -3.420 -5.407 1.00 0.00 C ATOM 1378 C ILE B 18 7.655 -4.460 -6.165 1.00 0.00 C ATOM 1379 O ILE B 18 7.269 -5.606 -6.260 1.00 0.00 O ATOM 1380 CB ILE B 18 6.066 -2.506 -6.398 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.166 -1.550 -5.618 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.245 -3.332 -7.393 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.544 -0.464 -6.454 1.00 0.00 C ATOM 0 H ILE B 18 7.657 -1.636 -4.697 1.00 0.00 H new ATOM 0 HA ILE B 18 6.097 -3.927 -4.785 1.00 0.00 H new ATOM 0 HB ILE B 18 6.790 -1.929 -6.973 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.372 -2.125 -5.141 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.749 -1.089 -4.821 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.718 -2.663 -8.074 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.910 -3.980 -7.964 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.522 -3.941 -6.851 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.921 0.169 -5.823 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.329 0.139 -6.910 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.931 -0.913 -7.235 1.00 0.00 H new ATOM 1395 N GLN B 19 8.821 -4.031 -6.622 1.00 0.00 N ATOM 1396 CA GLN B 19 9.799 -4.883 -7.315 1.00 0.00 C ATOM 1397 C GLN B 19 10.225 -6.068 -6.445 1.00 0.00 C ATOM 1398 O GLN B 19 10.398 -7.187 -6.933 1.00 0.00 O ATOM 1399 CB GLN B 19 11.022 -4.049 -7.655 1.00 0.00 C ATOM 1400 CG GLN B 19 10.784 -3.017 -8.735 1.00 0.00 C ATOM 1401 CD GLN B 19 11.759 -1.860 -8.678 1.00 0.00 C ATOM 1402 OE1 GLN B 19 11.442 -0.749 -9.099 1.00 0.00 O ATOM 1403 NE2 GLN B 19 12.906 -2.078 -8.104 1.00 0.00 N ATOM 0 H GLN B 19 9.128 -3.063 -6.524 1.00 0.00 H new ATOM 0 HA GLN B 19 9.335 -5.276 -8.220 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.366 -3.543 -6.753 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.825 -4.714 -7.973 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.857 -3.498 -9.711 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.768 -2.633 -8.644 1.00 0.00 H new ATOM 0 HE21 GLN B 19 13.138 -3.012 -7.766 1.00 0.00 H new ATOM 0 HE22 GLN B 19 13.574 -1.315 -7.992 1.00 0.00 H new ATOM 1412 N LEU B 20 10.375 -5.818 -5.165 1.00 0.00 N ATOM 1413 CA LEU B 20 10.777 -6.847 -4.231 1.00 0.00 C ATOM 1414 C LEU B 20 9.664 -7.852 -3.995 1.00 0.00 C ATOM 1415 O LEU B 20 9.899 -9.058 -4.074 1.00 0.00 O ATOM 1416 CB LEU B 20 11.281 -6.245 -2.925 1.00 0.00 C ATOM 1417 CG LEU B 20 12.598 -5.477 -3.024 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.911 -4.800 -1.711 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.730 -6.426 -3.404 1.00 0.00 C ATOM 0 H LEU B 20 10.223 -4.902 -4.743 1.00 0.00 H new ATOM 0 HA LEU B 20 11.609 -7.390 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.516 -5.573 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.401 -7.047 -2.197 1.00 0.00 H new ATOM 0 HG LEU B 20 12.499 -4.714 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.852 -4.257 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.111 -4.103 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU B 20 12.996 -5.551 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.664 -5.869 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.825 -7.202 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.511 -6.886 -4.368 1.00 0.00 H new ATOM 1431 N VAL B 21 8.457 -7.372 -3.706 1.00 0.00 N ATOM 1432 CA VAL B 21 7.311 -8.281 -3.555 1.00 0.00 C ATOM 1433 C VAL B 21 7.048 -9.046 -4.889 1.00 0.00 C ATOM 1434 O VAL B 21 6.730 -10.238 -4.894 1.00 0.00 O ATOM 1435 CB VAL B 21 6.026 -7.511 -3.138 1.00 0.00 C ATOM 1436 CG1 VAL B 21 4.923 -8.469 -2.711 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.322 -6.510 -2.038 1.00 0.00 C ATOM 0 H VAL B 21 8.244 -6.383 -3.573 1.00 0.00 H new ATOM 0 HA VAL B 21 7.557 -8.993 -2.767 1.00 0.00 H new ATOM 0 HB VAL B 21 5.675 -6.961 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.038 -7.901 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.676 -9.133 -3.540 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.264 -9.061 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.405 -5.986 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.713 -7.033 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL B 21 7.061 -5.790 -2.390 1.00 0.00 H new ATOM 1447 N ALA B 22 7.235 -8.347 -6.002 1.00 0.00 N ATOM 1448 CA ALA B 22 7.019 -8.885 -7.342 1.00 0.00 C ATOM 1449 C ALA B 22 7.931 -10.065 -7.650 1.00 0.00 C ATOM 1450 O ALA B 22 7.459 -11.149 -8.025 1.00 0.00 O ATOM 1451 CB ALA B 22 7.210 -7.797 -8.382 1.00 0.00 C ATOM 0 H ALA B 22 7.546 -7.375 -6.000 1.00 0.00 H new ATOM 0 HA ALA B 22 5.993 -9.250 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.046 -8.212 -9.377 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.497 -6.993 -8.202 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.225 -7.404 -8.315 1.00 0.00 H new ATOM 1457 N ARG B 23 9.238 -9.871 -7.450 1.00 0.00 N ATOM 1458 CA ARG B 23 10.241 -10.902 -7.762 1.00 0.00 C ATOM 1459 C ARG B 23 10.083 -12.131 -6.877 1.00 0.00 C ATOM 1460 O ARG B 23 10.583 -13.210 -7.205 1.00 0.00 O ATOM 1461 CB ARG B 23 11.669 -10.359 -7.620 1.00 0.00 C ATOM 1462 CG ARG B 23 12.041 -9.937 -6.205 1.00 0.00 C ATOM 1463 CD ARG B 23 13.493 -9.503 -6.098 1.00 0.00 C ATOM 1464 NE ARG B 23 13.791 -8.310 -6.897 1.00 0.00 N ATOM 1465 CZ ARG B 23 14.935 -7.611 -6.832 1.00 0.00 C ATOM 1466 NH1 ARG B 23 15.929 -8.016 -6.030 1.00 0.00 N ATOM 1467 NH2 ARG B 23 15.094 -6.531 -7.596 1.00 0.00 N ATOM 0 H ARG B 23 9.630 -9.008 -7.073 1.00 0.00 H new ATOM 0 HA ARG B 23 10.071 -11.191 -8.799 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.371 -11.123 -7.955 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.788 -9.503 -8.285 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.395 -9.118 -5.890 1.00 0.00 H new ATOM 0 HG3 ARG B 23 11.860 -10.766 -5.521 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.732 -9.304 -5.053 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.137 -10.321 -6.421 1.00 0.00 H new ATOM 0 HE ARG B 23 13.077 -7.988 -7.550 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.818 -8.859 -5.466 1.00 0.00 H new ATOM 0 HH12 ARG B 23 16.797 -7.482 -5.984 1.00 0.00 H new ATOM 0 HH21 ARG B 23 14.348 -6.238 -8.227 1.00 0.00 H new ATOM 0 HH22 ARG B 23 15.962 -5.997 -7.550 1.00 0.00 H new ATOM 1481 N HIS B 24 9.394 -11.960 -5.761 1.00 0.00 N ATOM 1482 CA HIS B 24 9.184 -13.029 -4.826 1.00 0.00 C ATOM 1483 C HIS B 24 8.385 -14.176 -5.446 1.00 0.00 C ATOM 1484 O HIS B 24 8.683 -15.350 -5.199 1.00 0.00 O ATOM 1485 CB HIS B 24 8.528 -12.522 -3.528 1.00 0.00 C ATOM 1486 CG HIS B 24 8.238 -13.636 -2.548 1.00 0.00 C ATOM 1487 ND1 HIS B 24 9.209 -14.308 -1.823 1.00 0.00 N ATOM 1488 CD2 HIS B 24 7.072 -14.240 -2.245 1.00 0.00 C ATOM 1489 CE1 HIS B 24 8.611 -15.276 -1.128 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.309 -15.284 -1.347 1.00 0.00 N ATOM 0 H HIS B 24 8.969 -11.074 -5.487 1.00 0.00 H new ATOM 0 HA HIS B 24 10.165 -13.425 -4.564 1.00 0.00 H new ATOM 0 HB2 HIS B 24 9.183 -11.790 -3.056 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.599 -12.007 -3.772 1.00 0.00 H new ATOM 0 HD2 HIS B 24 6.105 -13.961 -2.636 1.00 0.00 H new ATOM 0 HE1 HIS B 24 9.124 -15.963 -0.472 1.00 0.00 H new ATOM 0 HE2 HIS B 24 6.620 -15.920 -0.945 1.00 0.00 H new ATOM 1498 N GLY B 25 7.431 -13.849 -6.276 1.00 0.00 N ATOM 1499 CA GLY B 25 6.608 -14.879 -6.848 1.00 0.00 C ATOM 1500 C GLY B 25 5.411 -14.328 -7.549 1.00 0.00 C ATOM 1501 O GLY B 25 4.765 -15.031 -8.334 1.00 0.00 O ATOM 0 H GLY B 25 7.207 -12.897 -6.567 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.200 -15.464 -7.552 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.283 -15.560 -6.061 1.00 0.00 H new ATOM 1505 N LEU B 26 5.100 -13.080 -7.254 1.00 0.00 N ATOM 1506 CA LEU B 26 4.028 -12.382 -7.852 1.00 0.00 C ATOM 1507 C LEU B 26 4.068 -12.365 -9.361 1.00 0.00 C ATOM 1508 O LEU B 26 5.103 -12.093 -9.998 1.00 0.00 O ATOM 1509 CB LEU B 26 3.965 -10.982 -7.305 1.00 0.00 C ATOM 1510 CG LEU B 26 3.160 -10.797 -6.035 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.658 -11.635 -4.885 1.00 0.00 C ATOM 1512 CD2 LEU B 26 3.041 -9.337 -5.681 1.00 0.00 C ATOM 0 H LEU B 26 5.614 -12.527 -6.569 1.00 0.00 H new ATOM 0 HA LEU B 26 3.121 -12.928 -7.593 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.983 -10.641 -7.118 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.547 -10.332 -8.074 1.00 0.00 H new ATOM 0 HG LEU B 26 2.156 -11.170 -6.239 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.037 -11.454 -4.007 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.607 -12.690 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU B 26 4.691 -11.368 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.459 -9.231 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.035 -8.917 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.543 -8.805 -6.492 1.00 0.00 H new ATOM 1524 N ASP B 27 2.926 -12.680 -9.903 1.00 0.00 N ATOM 1525 CA ASP B 27 2.660 -12.671 -11.321 1.00 0.00 C ATOM 1526 C ASP B 27 2.599 -11.227 -11.761 1.00 0.00 C ATOM 1527 O ASP B 27 2.488 -10.340 -10.917 1.00 0.00 O ATOM 1528 CB ASP B 27 1.285 -13.306 -11.594 1.00 0.00 C ATOM 1529 CG ASP B 27 1.091 -14.637 -10.918 1.00 0.00 C ATOM 1530 OD1 ASP B 27 1.622 -15.643 -11.406 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.425 -14.689 -9.852 1.00 0.00 O ATOM 0 H ASP B 27 2.118 -12.963 -9.349 1.00 0.00 H new ATOM 0 HA ASP B 27 3.434 -13.225 -11.852 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.505 -12.621 -11.260 1.00 0.00 H new ATOM 0 HB3 ASP B 27 1.159 -13.432 -12.669 1.00 0.00 H new ATOM 1536 N HIS B 28 2.604 -10.983 -13.049 1.00 0.00 N ATOM 1537 CA HIS B 28 2.551 -9.613 -13.562 1.00 0.00 C ATOM 1538 C HIS B 28 1.230 -8.948 -13.122 1.00 0.00 C ATOM 1539 O HIS B 28 1.197 -7.776 -12.744 1.00 0.00 O ATOM 1540 CB HIS B 28 2.686 -9.611 -15.096 1.00 0.00 C ATOM 1541 CG HIS B 28 2.907 -8.249 -15.699 1.00 0.00 C ATOM 1542 ND1 HIS B 28 4.151 -7.739 -15.986 1.00 0.00 N ATOM 1543 CD2 HIS B 28 2.019 -7.299 -16.075 1.00 0.00 C ATOM 1544 CE1 HIS B 28 3.995 -6.528 -16.509 1.00 0.00 C ATOM 1545 NE2 HIS B 28 2.711 -6.203 -16.590 1.00 0.00 N ATOM 0 H HIS B 28 2.644 -11.705 -13.769 1.00 0.00 H new ATOM 0 HA HIS B 28 3.383 -9.041 -13.152 1.00 0.00 H new ATOM 0 HB2 HIS B 28 3.517 -10.258 -15.376 1.00 0.00 H new ATOM 0 HB3 HIS B 28 1.784 -10.045 -15.529 1.00 0.00 H new ATOM 0 HD2 HIS B 28 0.945 -7.377 -15.990 1.00 0.00 H new ATOM 0 HE1 HIS B 28 4.807 -5.891 -16.827 1.00 0.00 H new ATOM 0 HE2 HIS B 28 2.314 -5.336 -16.952 1.00 0.00 H new ATOM 1553 N ASP B 29 0.173 -9.745 -13.113 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.152 -9.319 -12.683 1.00 0.00 C ATOM 1555 C ASP B 29 -1.131 -8.936 -11.215 1.00 0.00 C ATOM 1556 O ASP B 29 -1.710 -7.919 -10.814 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.151 -10.449 -12.931 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.520 -10.199 -12.341 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -4.342 -9.493 -12.979 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -3.821 -10.763 -11.259 1.00 0.00 O ATOM 0 H ASP B 29 0.211 -10.721 -13.408 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.455 -8.443 -13.256 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.252 -10.602 -14.006 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -1.750 -11.373 -12.514 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.408 -9.732 -10.429 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.233 -9.489 -9.002 1.00 0.00 C ATOM 1567 C LYS B 30 0.439 -8.150 -8.781 1.00 0.00 C ATOM 1568 O LYS B 30 0.038 -7.392 -7.917 1.00 0.00 O ATOM 1569 CB LYS B 30 0.652 -10.554 -8.381 1.00 0.00 C ATOM 1570 CG LYS B 30 0.083 -11.950 -8.304 1.00 0.00 C ATOM 1571 CD LYS B 30 -0.912 -12.114 -7.180 1.00 0.00 C ATOM 1572 CE LYS B 30 -1.472 -13.538 -7.134 1.00 0.00 C ATOM 1573 NZ LYS B 30 -1.962 -14.007 -8.455 1.00 0.00 N ATOM 0 H LYS B 30 0.073 -10.565 -10.767 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.220 -9.506 -8.541 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.582 -10.597 -8.948 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.909 -10.236 -7.371 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.401 -12.193 -9.250 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.897 -12.663 -8.170 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.432 -11.879 -6.230 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.729 -11.404 -7.309 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -0.697 -14.217 -6.777 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.289 -13.579 -6.413 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -2.579 -14.834 -8.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.499 -13.245 -8.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -1.152 -14.271 -9.052 1.00 0.00 H new ATOM 1587 N VAL B 31 1.448 -7.861 -9.598 1.00 0.00 N ATOM 1588 CA VAL B 31 2.217 -6.634 -9.485 1.00 0.00 C ATOM 1589 C VAL B 31 1.324 -5.439 -9.776 1.00 0.00 C ATOM 1590 O VAL B 31 1.351 -4.444 -9.057 1.00 0.00 O ATOM 1591 CB VAL B 31 3.431 -6.619 -10.454 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.295 -5.389 -10.238 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.255 -7.882 -10.310 1.00 0.00 C ATOM 0 H VAL B 31 1.752 -8.473 -10.355 1.00 0.00 H new ATOM 0 HA VAL B 31 2.600 -6.578 -8.466 1.00 0.00 H new ATOM 0 HB VAL B 31 3.040 -6.580 -11.471 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.136 -5.409 -10.931 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.701 -4.492 -10.413 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.669 -5.382 -9.214 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.099 -7.847 -10.999 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.625 -7.961 -9.288 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.635 -8.749 -10.539 1.00 0.00 H new ATOM 1603 N LEU B 32 0.508 -5.562 -10.805 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.418 -4.503 -11.195 1.00 0.00 C ATOM 1605 C LEU B 32 -1.420 -4.231 -10.092 1.00 0.00 C ATOM 1606 O LEU B 32 -1.686 -3.085 -9.758 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.139 -4.861 -12.489 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.248 -5.127 -13.704 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.093 -5.432 -14.915 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.681 -3.950 -13.977 1.00 0.00 C ATOM 0 H LEU B 32 0.464 -6.393 -11.395 1.00 0.00 H new ATOM 0 HA LEU B 32 0.163 -3.596 -11.365 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.747 -5.747 -12.309 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.823 -4.049 -12.736 1.00 0.00 H new ATOM 0 HG LEU B 32 0.374 -5.995 -13.485 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.446 -5.619 -15.772 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.702 -6.315 -14.721 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.742 -4.583 -15.129 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.301 -4.170 -14.846 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.088 -3.056 -14.171 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.319 -3.781 -13.110 1.00 0.00 H new ATOM 1622 N LEU B 33 -1.931 -5.286 -9.502 1.00 0.00 N ATOM 1623 CA LEU B 33 -2.898 -5.167 -8.427 1.00 0.00 C ATOM 1624 C LEU B 33 -2.254 -4.629 -7.163 1.00 0.00 C ATOM 1625 O LEU B 33 -2.790 -3.728 -6.531 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.564 -6.510 -8.163 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.401 -7.062 -9.313 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -4.809 -8.484 -9.034 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.632 -6.196 -9.548 1.00 0.00 C ATOM 0 H LEU B 33 -1.693 -6.247 -9.749 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.662 -4.454 -8.738 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.791 -7.238 -7.917 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.202 -6.414 -7.285 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.791 -7.046 -10.216 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.405 -8.861 -9.865 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -3.919 -9.102 -8.917 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.399 -8.520 -8.118 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.214 -6.608 -10.372 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.243 -6.179 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.321 -5.181 -9.795 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.091 -5.149 -6.830 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.378 -4.735 -5.641 1.00 0.00 C ATOM 1643 C PHE B 34 0.041 -3.276 -5.733 1.00 0.00 C ATOM 1644 O PHE B 34 -0.174 -2.520 -4.805 1.00 0.00 O ATOM 1645 CB PHE B 34 0.844 -5.639 -5.384 1.00 0.00 C ATOM 1646 CG PHE B 34 1.629 -5.268 -4.155 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.167 -5.598 -2.894 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.820 -4.570 -4.267 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.880 -5.247 -1.769 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.532 -4.216 -3.147 1.00 0.00 C ATOM 1651 CZ PHE B 34 3.062 -4.552 -1.898 1.00 0.00 C ATOM 0 H PHE B 34 -0.615 -5.868 -7.374 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.058 -4.838 -4.795 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.507 -6.671 -5.290 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.503 -5.597 -6.251 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.237 -6.137 -2.790 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.193 -4.301 -5.244 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.513 -5.516 -0.789 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.461 -3.674 -3.247 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.621 -4.270 -1.018 1.00 0.00 H new ATOM 1661 N SER B 35 0.590 -2.878 -6.873 1.00 0.00 N ATOM 1662 CA SER B 35 1.077 -1.522 -7.057 1.00 0.00 C ATOM 1663 C SER B 35 -0.028 -0.487 -6.880 1.00 0.00 C ATOM 1664 O SER B 35 0.142 0.490 -6.153 1.00 0.00 O ATOM 1665 CB SER B 35 1.770 -1.374 -8.420 1.00 0.00 C ATOM 1666 OG SER B 35 0.936 -1.820 -9.472 1.00 0.00 O ATOM 0 H SER B 35 0.709 -3.481 -7.687 1.00 0.00 H new ATOM 0 HA SER B 35 1.814 -1.331 -6.277 1.00 0.00 H new ATOM 0 HB2 SER B 35 2.037 -0.330 -8.583 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.698 -1.945 -8.422 1.00 0.00 H new ATOM 0 HG SER B 35 0.968 -2.798 -9.523 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.172 -0.736 -7.495 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.289 0.188 -7.425 1.00 0.00 C ATOM 1674 C ARG B 36 -2.944 0.177 -6.036 1.00 0.00 C ATOM 1675 O ARG B 36 -3.398 1.221 -5.545 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.313 -0.109 -8.529 1.00 0.00 C ATOM 1677 CG ARG B 36 -3.927 -1.493 -8.454 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.801 -1.799 -9.649 1.00 0.00 C ATOM 1679 NE ARG B 36 -5.962 -0.903 -9.734 1.00 0.00 N ATOM 1680 CZ ARG B 36 -7.102 -1.194 -10.374 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -7.193 -2.293 -11.126 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -8.131 -0.368 -10.287 1.00 0.00 N ATOM 0 H ARG B 36 -1.351 -1.573 -8.050 1.00 0.00 H new ATOM 0 HA ARG B 36 -1.900 1.193 -7.589 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.110 0.633 -8.478 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.829 0.009 -9.499 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.133 -2.237 -8.387 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.519 -1.576 -7.543 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.210 -1.712 -10.561 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.145 -2.832 -9.590 1.00 0.00 H new ATOM 0 HE ARG B 36 -5.895 0.005 -9.273 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.391 -2.917 -11.216 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -8.064 -2.509 -11.611 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -8.054 0.486 -9.734 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -9.001 -0.585 -10.772 1.00 0.00 H new ATOM 1696 N ASP B 37 -2.950 -0.984 -5.388 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.571 -1.125 -4.070 1.00 0.00 C ATOM 1698 C ASP B 37 -2.666 -0.485 -3.019 1.00 0.00 C ATOM 1699 O ASP B 37 -3.129 0.149 -2.062 1.00 0.00 O ATOM 1700 CB ASP B 37 -3.796 -2.598 -3.736 1.00 0.00 C ATOM 1701 CG ASP B 37 -4.833 -2.805 -2.664 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -4.598 -2.470 -1.522 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -5.945 -3.304 -2.989 1.00 0.00 O ATOM 0 H ASP B 37 -2.533 -1.841 -5.751 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.539 -0.625 -4.077 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.103 -3.127 -4.638 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -2.854 -3.040 -3.413 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.380 -0.642 -3.210 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.388 -0.007 -2.371 1.00 0.00 C ATOM 1710 C LEU B 38 -0.458 1.497 -2.557 1.00 0.00 C ATOM 1711 O LEU B 38 -0.431 2.255 -1.595 1.00 0.00 O ATOM 1712 CB LEU B 38 1.005 -0.554 -2.718 1.00 0.00 C ATOM 1713 CG LEU B 38 2.223 0.158 -2.127 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.122 0.288 -0.632 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.476 -0.600 -2.489 1.00 0.00 C ATOM 0 H LEU B 38 -0.987 -1.217 -3.955 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.585 -0.229 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.042 -1.597 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU B 38 1.107 -0.545 -3.803 1.00 0.00 H new ATOM 0 HG LEU B 38 2.260 1.163 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU B 38 3.006 0.799 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.232 0.863 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU B 38 2.055 -0.704 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.343 -0.092 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.418 -1.612 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.574 -0.645 -3.574 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.598 1.911 -3.794 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.704 3.318 -4.134 1.00 0.00 C ATOM 1729 C ASP B 39 -1.931 3.954 -3.473 1.00 0.00 C ATOM 1730 O ASP B 39 -1.856 5.064 -2.950 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.755 3.487 -5.656 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.852 4.923 -6.093 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.157 5.639 -6.009 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -1.939 5.343 -6.556 1.00 0.00 O ATOM 0 H ASP B 39 -0.642 1.284 -4.597 1.00 0.00 H new ATOM 0 HA ASP B 39 0.179 3.833 -3.754 1.00 0.00 H new ATOM 0 HB2 ASP B 39 0.138 3.041 -6.094 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.611 2.937 -6.047 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.040 3.218 -3.430 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.267 3.740 -2.845 1.00 0.00 C ATOM 1741 C LYS B 40 -4.163 3.872 -1.354 1.00 0.00 C ATOM 1742 O LYS B 40 -4.743 4.763 -0.765 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.481 2.916 -3.255 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.659 1.547 -2.638 1.00 0.00 C ATOM 1745 CD LYS B 40 -6.391 1.572 -1.280 1.00 0.00 C ATOM 1746 CE LYS B 40 -6.481 0.183 -0.636 1.00 0.00 C ATOM 1747 NZ LYS B 40 -5.169 -0.317 -0.155 1.00 0.00 N ATOM 0 H LYS B 40 -3.112 2.267 -3.791 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.409 4.744 -3.244 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.372 3.501 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -5.448 2.791 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.216 0.915 -3.330 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -4.680 1.087 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -5.871 2.250 -0.603 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -7.396 1.970 -1.420 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -7.179 0.221 0.201 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -6.889 -0.522 -1.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -5.120 -1.347 -0.287 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -4.405 0.138 -0.695 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -5.061 -0.092 0.855 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.394 2.984 -0.762 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.189 2.958 0.676 1.00 0.00 C ATOM 1763 C LEU B 41 -2.473 4.247 1.042 1.00 0.00 C ATOM 1764 O LEU B 41 -2.836 4.948 1.990 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.286 1.745 1.019 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.275 1.171 2.453 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -1.066 0.327 2.701 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -2.469 2.195 3.527 1.00 0.00 C ATOM 0 H LEU B 41 -2.889 2.254 -1.265 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.130 2.871 1.220 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -2.565 0.933 0.347 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.261 2.024 0.774 1.00 0.00 H new ATOM 0 HG LEU B 41 -3.154 0.528 2.512 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -1.094 -0.059 3.720 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -1.053 -0.506 1.998 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -0.168 0.929 2.566 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -2.448 1.708 4.502 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -1.670 2.934 3.473 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -3.431 2.689 3.389 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.517 4.573 0.231 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.688 5.720 0.467 1.00 0.00 C ATOM 1782 C ILE B 42 -1.494 6.989 0.270 1.00 0.00 C ATOM 1783 O ILE B 42 -1.629 7.768 1.204 1.00 0.00 O ATOM 1784 CB ILE B 42 0.587 5.690 -0.408 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.374 4.421 -0.090 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.450 6.915 -0.152 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.614 4.245 -0.903 1.00 0.00 C ATOM 0 H ILE B 42 -1.286 4.053 -0.616 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.345 5.698 1.501 1.00 0.00 H new ATOM 0 HB ILE B 42 0.298 5.697 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.645 4.431 0.966 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.727 3.558 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.340 6.870 -0.779 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.883 7.815 -0.390 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.746 6.939 0.897 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.111 3.319 -0.613 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.353 4.200 -1.960 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.285 5.087 -0.730 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.090 7.148 -0.912 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.958 8.313 -1.231 1.00 0.00 C ATOM 1801 C ASN B 43 -4.038 8.521 -0.171 1.00 0.00 C ATOM 1802 O ASN B 43 -4.381 9.667 0.161 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.619 8.190 -2.624 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.673 8.449 -3.793 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -2.530 9.579 -4.259 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -2.043 7.429 -4.285 1.00 0.00 N ATOM 0 H ASN B 43 -1.994 6.484 -1.681 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.300 9.182 -1.240 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.039 7.190 -2.727 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.450 8.893 -2.682 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.412 7.553 -5.076 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -2.179 6.502 -3.881 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.549 7.414 0.380 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.537 7.453 1.441 1.00 0.00 C ATOM 1815 C LYS B 44 -5.001 8.228 2.644 1.00 0.00 C ATOM 1816 O LYS B 44 -5.621 9.180 3.107 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.904 6.028 1.856 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.889 5.930 3.010 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.165 4.485 3.382 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.899 3.743 2.273 1.00 0.00 C ATOM 1821 NZ LYS B 44 -9.225 4.343 1.969 1.00 0.00 N ATOM 0 H LYS B 44 -4.283 6.471 0.096 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.428 7.961 1.073 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.325 5.511 0.994 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.991 5.499 2.131 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.492 6.460 3.875 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.823 6.421 2.736 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.224 3.979 3.596 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.759 4.452 4.295 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -7.287 3.746 1.371 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -8.033 2.701 2.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -9.781 3.681 1.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -9.731 4.536 2.857 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -9.092 5.232 1.447 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.836 7.843 3.103 1.00 0.00 N ATOM 1836 CA PHE B 45 -3.222 8.458 4.265 1.00 0.00 C ATOM 1837 C PHE B 45 -2.625 9.822 3.967 1.00 0.00 C ATOM 1838 O PHE B 45 -2.632 10.704 4.820 1.00 0.00 O ATOM 1839 CB PHE B 45 -2.217 7.513 4.915 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.891 6.443 5.726 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.358 5.278 5.139 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -3.082 6.623 7.079 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.998 4.316 5.895 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.724 5.671 7.835 1.00 0.00 C ATOM 1845 CZ PHE B 45 -4.181 4.512 7.244 1.00 0.00 C ATOM 0 H PHE B 45 -3.283 7.095 2.685 1.00 0.00 H new ATOM 0 HA PHE B 45 -4.018 8.642 4.987 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.604 7.049 4.142 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.545 8.084 5.556 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.220 5.121 4.079 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.722 7.525 7.552 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.355 3.410 5.427 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.871 5.831 8.893 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.681 3.761 7.838 1.00 0.00 H new ATOM 1855 N MET B 46 -2.160 10.011 2.748 1.00 0.00 N ATOM 1856 CA MET B 46 -1.563 11.285 2.323 1.00 0.00 C ATOM 1857 C MET B 46 -2.600 12.403 2.325 1.00 0.00 C ATOM 1858 O MET B 46 -2.248 13.587 2.358 1.00 0.00 O ATOM 1859 CB MET B 46 -0.994 11.181 0.914 1.00 0.00 C ATOM 1860 CG MET B 46 0.062 10.121 0.709 1.00 0.00 C ATOM 1861 SD MET B 46 0.741 10.143 -0.952 1.00 0.00 S ATOM 1862 CE MET B 46 1.648 11.667 -0.895 1.00 0.00 C ATOM 0 H MET B 46 -2.180 9.297 2.020 1.00 0.00 H new ATOM 0 HA MET B 46 -0.767 11.511 3.032 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.815 10.987 0.224 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.570 12.147 0.641 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.866 10.270 1.429 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.368 9.140 0.910 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.539 11.584 -1.517 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.021 12.478 -1.266 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.942 11.877 0.133 1.00 0.00 H new