USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 36:sc= 0.774 USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0457) USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.55 USER MOD Single : A 13 LYS NZ :NH3+ 135:sc= -1.99! (180deg=-4.54!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -0.0051 (180deg=-0.0833) USER MOD Single : A 32 LYS NZ :NH3+ 155:sc= 0.361 (180deg=-0.157) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -114:sc= 1.21 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.444) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.17 X(o=-1.2,f=-0.74) USER MOD Single : A 50 SER OG : rot 120:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.4!) USER MOD Single : A 52 HIS : no HD1:sc= -0.659 K(o=-0.66,f=-2) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 1:sc= -1.05 USER MOD Single : A 60 ASN :FLIP amide:sc= -1.07 F(o=-3.6!,f=-1.1) USER MOD Single : A 61 SER OG : rot 39:sc= 0.277 USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= -0.356 (180deg=-1.21!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 78 HIS : no HD1:sc= 0.097 K(o=0.097,f=-2.1!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 120:sc= -2.57 USER MOD Single : A 82 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0886) USER MOD Single : A 87 HIS : no HE2:sc= -1.17 K(o=-1.2,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 22 N PHE A 2 -10.885 16.347 -5.205 1.00 0.00 N ATOM 23 CA PHE A 2 -11.441 15.399 -6.162 1.00 0.00 C ATOM 24 C PHE A 2 -10.933 13.981 -5.898 1.00 0.00 C ATOM 25 O PHE A 2 -11.042 13.105 -6.757 1.00 0.00 O ATOM 26 CB PHE A 2 -11.085 15.818 -7.590 1.00 0.00 C ATOM 27 CG PHE A 2 -11.812 17.048 -8.051 1.00 0.00 C ATOM 28 CD1 PHE A 2 -13.192 17.044 -8.188 1.00 0.00 C ATOM 29 CD2 PHE A 2 -11.117 18.209 -8.347 1.00 0.00 C ATOM 30 CE1 PHE A 2 -13.863 18.175 -8.612 1.00 0.00 C ATOM 31 CE2 PHE A 2 -11.782 19.343 -8.772 1.00 0.00 C ATOM 32 CZ PHE A 2 -13.158 19.327 -8.904 1.00 0.00 C ATOM 0 HA PHE A 2 -12.524 15.402 -6.043 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -10.011 15.996 -7.651 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -11.311 14.996 -8.269 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -13.749 16.147 -7.961 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -10.042 18.228 -8.244 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -14.938 18.159 -8.715 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -11.227 20.241 -9.001 1.00 0.00 H new ATOM 0 HZ PHE A 2 -13.681 20.213 -9.234 1.00 0.00 H new ATOM 42 N ILE A 3 -10.379 13.760 -4.707 1.00 0.00 N ATOM 43 CA ILE A 3 -9.859 12.448 -4.335 1.00 0.00 C ATOM 44 C ILE A 3 -8.883 11.921 -5.383 1.00 0.00 C ATOM 45 O ILE A 3 -9.266 11.168 -6.278 1.00 0.00 O ATOM 46 CB ILE A 3 -10.996 11.425 -4.148 1.00 0.00 C ATOM 47 CG1 ILE A 3 -12.073 11.990 -3.218 1.00 0.00 C ATOM 48 CG2 ILE A 3 -10.450 10.115 -3.601 1.00 0.00 C ATOM 49 CD1 ILE A 3 -13.484 11.727 -3.698 1.00 0.00 C ATOM 0 H ILE A 3 -10.279 14.473 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.334 12.575 -3.388 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.448 11.228 -5.120 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -11.949 11.557 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.927 13.065 -3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.267 9.405 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.718 9.707 -4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.973 10.294 -2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -14.195 12.155 -2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -13.626 12.184 -4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.649 10.652 -3.772 1.00 0.00 H new ATOM 61 N ALA A 4 -7.622 12.323 -5.265 1.00 0.00 N ATOM 62 CA ALA A 4 -6.591 11.891 -6.203 1.00 0.00 C ATOM 63 C ALA A 4 -5.949 10.584 -5.750 1.00 0.00 C ATOM 64 O ALA A 4 -5.182 10.559 -4.787 1.00 0.00 O ATOM 65 CB ALA A 4 -5.536 12.975 -6.361 1.00 0.00 C ATOM 0 H ALA A 4 -7.289 12.947 -4.530 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.063 11.716 -7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.773 12.640 -7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.003 13.885 -6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.075 13.178 -5.394 1.00 0.00 H new ATOM 71 N THR A 5 -6.265 9.501 -6.452 1.00 0.00 N ATOM 72 CA THR A 5 -5.717 8.189 -6.124 1.00 0.00 C ATOM 73 C THR A 5 -4.289 8.053 -6.639 1.00 0.00 C ATOM 74 O THR A 5 -4.060 7.952 -7.844 1.00 0.00 O ATOM 75 CB THR A 5 -6.594 7.084 -6.717 1.00 0.00 C ATOM 76 OG1 THR A 5 -6.665 7.202 -8.127 1.00 0.00 O ATOM 77 CG2 THR A 5 -8.010 7.094 -6.184 1.00 0.00 C ATOM 0 H THR A 5 -6.898 9.505 -7.252 1.00 0.00 H new ATOM 0 HA THR A 5 -5.704 8.089 -5.039 1.00 0.00 H new ATOM 0 HB THR A 5 -6.118 6.148 -6.423 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.802 7.512 -8.473 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.578 6.286 -6.645 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.993 6.955 -5.103 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.481 8.048 -6.420 1.00 0.00 H new ATOM 85 N LEU A 6 -3.331 8.054 -5.719 1.00 0.00 N ATOM 86 CA LEU A 6 -1.923 7.933 -6.081 1.00 0.00 C ATOM 87 C LEU A 6 -1.612 6.532 -6.600 1.00 0.00 C ATOM 88 O LEU A 6 -1.483 5.586 -5.823 1.00 0.00 O ATOM 89 CB LEU A 6 -1.035 8.256 -4.876 1.00 0.00 C ATOM 90 CG LEU A 6 0.204 9.096 -5.192 1.00 0.00 C ATOM 91 CD1 LEU A 6 0.609 9.925 -3.984 1.00 0.00 C ATOM 92 CD2 LEU A 6 1.352 8.203 -5.638 1.00 0.00 C ATOM 0 H LEU A 6 -3.503 8.137 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.715 8.648 -6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.634 8.784 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.714 7.320 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.039 9.777 -6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.492 10.516 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.209 10.591 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.835 9.263 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.226 8.816 -5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.595 7.498 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.059 7.653 -6.533 1.00 0.00 H new ATOM 104 N LYS A 7 -1.490 6.409 -7.917 1.00 0.00 N ATOM 105 CA LYS A 7 -1.191 5.127 -8.543 1.00 0.00 C ATOM 106 C LYS A 7 0.297 5.014 -8.862 1.00 0.00 C ATOM 107 O LYS A 7 0.837 5.806 -9.635 1.00 0.00 O ATOM 108 CB LYS A 7 -2.017 4.954 -9.820 1.00 0.00 C ATOM 109 CG LYS A 7 -2.738 3.618 -9.902 1.00 0.00 C ATOM 110 CD LYS A 7 -2.850 3.133 -11.339 1.00 0.00 C ATOM 111 CE LYS A 7 -3.983 2.133 -11.503 1.00 0.00 C ATOM 112 NZ LYS A 7 -5.316 2.797 -11.491 1.00 0.00 N ATOM 0 H LYS A 7 -1.594 7.183 -8.573 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.454 4.336 -7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.751 5.758 -9.880 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.361 5.057 -10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.203 2.877 -9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.734 3.714 -9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.016 3.984 -11.999 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.910 2.672 -11.643 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.856 1.591 -12.440 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.937 1.397 -10.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.043 2.123 -11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.535 3.118 -10.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.302 3.615 -12.133 1.00 0.00 H new ATOM 126 N GLY A 8 0.955 4.028 -8.260 1.00 0.00 N ATOM 127 CA GLY A 8 2.375 3.833 -8.492 1.00 0.00 C ATOM 128 C GLY A 8 2.679 2.517 -9.179 1.00 0.00 C ATOM 129 O GLY A 8 2.484 1.447 -8.600 1.00 0.00 O ATOM 0 H GLY A 8 0.530 3.361 -7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.756 4.653 -9.101 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.903 3.872 -7.539 1.00 0.00 H new ATOM 133 N ILE A 9 3.157 2.594 -10.417 1.00 0.00 N ATOM 134 CA ILE A 9 3.490 1.399 -11.183 1.00 0.00 C ATOM 135 C ILE A 9 4.944 0.992 -10.963 1.00 0.00 C ATOM 136 O ILE A 9 5.809 1.256 -11.798 1.00 0.00 O ATOM 137 CB ILE A 9 3.246 1.609 -12.691 1.00 0.00 C ATOM 138 CG1 ILE A 9 1.838 2.157 -12.930 1.00 0.00 C ATOM 139 CG2 ILE A 9 3.449 0.304 -13.447 1.00 0.00 C ATOM 140 CD1 ILE A 9 1.793 3.290 -13.932 1.00 0.00 C ATOM 0 H ILE A 9 3.322 3.471 -10.911 1.00 0.00 H new ATOM 0 HA ILE A 9 2.836 0.603 -10.827 1.00 0.00 H new ATOM 0 HB ILE A 9 3.967 2.337 -13.063 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.196 1.348 -13.279 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.426 2.504 -11.982 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.273 0.468 -14.510 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.470 -0.048 -13.298 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.749 -0.445 -13.075 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.764 3.629 -14.052 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.408 4.116 -13.575 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.175 2.942 -14.892 1.00 0.00 H new ATOM 152 N PHE A 10 5.200 0.348 -9.830 1.00 0.00 N ATOM 153 CA PHE A 10 6.542 -0.102 -9.483 1.00 0.00 C ATOM 154 C PHE A 10 6.742 -1.554 -9.921 1.00 0.00 C ATOM 155 O PHE A 10 6.485 -2.482 -9.156 1.00 0.00 O ATOM 156 CB PHE A 10 6.752 0.043 -7.973 1.00 0.00 C ATOM 157 CG PHE A 10 6.502 1.438 -7.458 1.00 0.00 C ATOM 158 CD1 PHE A 10 6.293 2.498 -8.332 1.00 0.00 C ATOM 159 CD2 PHE A 10 6.473 1.690 -6.096 1.00 0.00 C ATOM 160 CE1 PHE A 10 6.059 3.772 -7.859 1.00 0.00 C ATOM 161 CE2 PHE A 10 6.242 2.966 -5.616 1.00 0.00 C ATOM 162 CZ PHE A 10 6.034 4.008 -6.499 1.00 0.00 C ATOM 0 H PHE A 10 4.490 0.125 -9.132 1.00 0.00 H new ATOM 0 HA PHE A 10 7.277 0.512 -10.003 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.090 -0.650 -7.455 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.773 -0.248 -7.727 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.314 2.321 -9.397 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.633 0.880 -5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.895 4.584 -8.552 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.224 3.148 -4.552 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.852 5.005 -6.126 1.00 0.00 H new ATOM 172 N THR A 11 7.174 -1.743 -11.168 1.00 0.00 N ATOM 173 CA THR A 11 7.373 -3.086 -11.714 1.00 0.00 C ATOM 174 C THR A 11 8.834 -3.464 -11.835 1.00 0.00 C ATOM 175 O THR A 11 9.720 -2.608 -11.881 1.00 0.00 O ATOM 176 CB THR A 11 6.692 -3.210 -13.077 1.00 0.00 C ATOM 177 OG1 THR A 11 7.087 -4.404 -13.730 1.00 0.00 O ATOM 178 CG2 THR A 11 6.998 -2.055 -14.007 1.00 0.00 C ATOM 0 H THR A 11 7.392 -0.987 -11.817 1.00 0.00 H new ATOM 0 HA THR A 11 6.919 -3.780 -11.006 1.00 0.00 H new ATOM 0 HB THR A 11 5.623 -3.212 -12.865 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.639 -4.465 -14.599 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.484 -2.206 -14.956 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.658 -1.123 -13.554 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.073 -2.003 -14.181 1.00 0.00 H new ATOM 186 N LEU A 12 9.057 -4.776 -11.881 1.00 0.00 N ATOM 187 CA LEU A 12 10.386 -5.354 -11.993 1.00 0.00 C ATOM 188 C LEU A 12 11.406 -4.597 -11.149 1.00 0.00 C ATOM 189 O LEU A 12 11.052 -3.793 -10.287 1.00 0.00 O ATOM 190 CB LEU A 12 10.821 -5.406 -13.465 1.00 0.00 C ATOM 191 CG LEU A 12 11.114 -4.051 -14.121 1.00 0.00 C ATOM 192 CD1 LEU A 12 12.524 -4.029 -14.694 1.00 0.00 C ATOM 193 CD2 LEU A 12 10.092 -3.747 -15.211 1.00 0.00 C ATOM 0 H LEU A 12 8.311 -5.470 -11.841 1.00 0.00 H new ATOM 0 HA LEU A 12 10.341 -6.372 -11.605 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.715 -6.025 -13.539 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.039 -5.905 -14.038 1.00 0.00 H new ATOM 0 HG LEU A 12 11.039 -3.279 -13.356 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.714 -3.060 -15.155 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.245 -4.198 -13.894 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.624 -4.814 -15.444 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.319 -2.781 -15.663 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.133 -4.524 -15.975 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.093 -3.718 -14.775 1.00 0.00 H new ATOM 205 N LYS A 13 12.670 -4.874 -11.403 1.00 0.00 N ATOM 206 CA LYS A 13 13.764 -4.239 -10.677 1.00 0.00 C ATOM 207 C LYS A 13 13.699 -2.722 -10.817 1.00 0.00 C ATOM 208 O LYS A 13 14.218 -1.988 -9.976 1.00 0.00 O ATOM 209 CB LYS A 13 15.109 -4.766 -11.176 1.00 0.00 C ATOM 210 CG LYS A 13 15.268 -6.270 -11.012 1.00 0.00 C ATOM 211 CD LYS A 13 14.965 -6.714 -9.588 1.00 0.00 C ATOM 212 CE LYS A 13 13.520 -7.164 -9.439 1.00 0.00 C ATOM 213 NZ LYS A 13 13.153 -8.195 -10.449 1.00 0.00 N ATOM 0 H LYS A 13 12.972 -5.541 -12.113 1.00 0.00 H new ATOM 0 HA LYS A 13 13.663 -4.487 -9.620 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.223 -4.509 -12.229 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.911 -4.262 -10.636 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.601 -6.784 -11.704 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.285 -6.560 -11.275 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.632 -7.531 -9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.164 -5.893 -8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.366 -7.566 -8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.859 -6.303 -9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.627 -8.963 -9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.559 -7.763 -11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.017 -8.579 -10.882 1.00 0.00 H new ATOM 227 N ASP A 14 13.035 -2.258 -11.873 1.00 0.00 N ATOM 228 CA ASP A 14 12.875 -0.829 -12.110 1.00 0.00 C ATOM 229 C ASP A 14 11.646 -0.302 -11.367 1.00 0.00 C ATOM 230 O ASP A 14 11.152 0.788 -11.652 1.00 0.00 O ATOM 231 CB ASP A 14 12.744 -0.549 -13.608 1.00 0.00 C ATOM 232 CG ASP A 14 13.037 0.898 -13.952 1.00 0.00 C ATOM 233 OD1 ASP A 14 12.144 1.748 -13.753 1.00 0.00 O ATOM 234 OD2 ASP A 14 14.160 1.180 -14.422 1.00 0.00 O ATOM 0 H ASP A 14 12.599 -2.853 -12.578 1.00 0.00 H new ATOM 0 HA ASP A 14 13.760 -0.315 -11.734 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.428 -1.196 -14.157 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.735 -0.801 -13.935 1.00 0.00 H new ATOM 239 N LEU A 15 11.160 -1.096 -10.410 1.00 0.00 N ATOM 240 CA LEU A 15 9.995 -0.738 -9.617 1.00 0.00 C ATOM 241 C LEU A 15 10.271 0.411 -8.636 1.00 0.00 C ATOM 242 O LEU A 15 9.334 1.090 -8.228 1.00 0.00 O ATOM 243 CB LEU A 15 9.490 -1.965 -8.847 1.00 0.00 C ATOM 244 CG LEU A 15 10.497 -2.604 -7.887 1.00 0.00 C ATOM 245 CD1 LEU A 15 10.679 -1.745 -6.644 1.00 0.00 C ATOM 246 CD2 LEU A 15 10.043 -4.006 -7.505 1.00 0.00 C ATOM 0 H LEU A 15 11.565 -2.000 -10.168 1.00 0.00 H new ATOM 0 HA LEU A 15 9.232 -0.389 -10.314 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.606 -1.676 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.173 -2.719 -9.568 1.00 0.00 H new ATOM 0 HG LEU A 15 11.459 -2.674 -8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.399 -2.219 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.046 -0.760 -6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.723 -1.640 -6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.768 -4.450 -6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.070 -3.953 -7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.966 -4.621 -8.402 1.00 0.00 H new ATOM 258 N PRO A 16 11.541 0.640 -8.220 1.00 0.00 N ATOM 259 CA PRO A 16 11.881 1.712 -7.261 1.00 0.00 C ATOM 260 C PRO A 16 11.390 3.100 -7.683 1.00 0.00 C ATOM 261 O PRO A 16 12.189 4.025 -7.833 1.00 0.00 O ATOM 262 CB PRO A 16 13.411 1.684 -7.234 1.00 0.00 C ATOM 263 CG PRO A 16 13.760 0.287 -7.593 1.00 0.00 C ATOM 264 CD PRO A 16 12.742 -0.126 -8.614 1.00 0.00 C ATOM 0 HA PRO A 16 11.403 1.539 -6.297 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.834 2.394 -7.944 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.796 1.950 -6.249 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.770 0.226 -7.998 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.727 -0.364 -6.719 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.063 0.121 -9.626 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.560 -1.201 -8.590 1.00 0.00 H new ATOM 272 N GLU A 17 10.073 3.237 -7.849 1.00 0.00 N ATOM 273 CA GLU A 17 9.441 4.503 -8.234 1.00 0.00 C ATOM 274 C GLU A 17 10.344 5.360 -9.123 1.00 0.00 C ATOM 275 O GLU A 17 10.347 6.587 -9.025 1.00 0.00 O ATOM 276 CB GLU A 17 9.043 5.275 -6.975 1.00 0.00 C ATOM 277 CG GLU A 17 8.337 6.602 -7.238 1.00 0.00 C ATOM 278 CD GLU A 17 7.357 6.538 -8.395 1.00 0.00 C ATOM 279 OE1 GLU A 17 7.795 6.256 -9.531 1.00 0.00 O ATOM 280 OE2 GLU A 17 6.152 6.772 -8.166 1.00 0.00 O ATOM 0 H GLU A 17 9.412 2.471 -7.720 1.00 0.00 H new ATOM 0 HA GLU A 17 8.554 4.268 -8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.390 4.645 -6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.939 5.466 -6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.806 6.909 -6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.084 7.369 -7.444 1.00 0.00 H new ATOM 287 N GLU A 18 11.106 4.708 -9.994 1.00 0.00 N ATOM 288 CA GLU A 18 12.006 5.413 -10.900 1.00 0.00 C ATOM 289 C GLU A 18 12.822 6.473 -10.159 1.00 0.00 C ATOM 290 O GLU A 18 13.228 7.477 -10.745 1.00 0.00 O ATOM 291 CB GLU A 18 11.204 6.067 -12.026 1.00 0.00 C ATOM 292 CG GLU A 18 12.060 6.539 -13.191 1.00 0.00 C ATOM 293 CD GLU A 18 12.056 8.048 -13.344 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.048 8.680 -12.964 1.00 0.00 O ATOM 295 OE2 GLU A 18 13.061 8.596 -13.844 1.00 0.00 O ATOM 0 H GLU A 18 11.119 3.693 -10.092 1.00 0.00 H new ATOM 0 HA GLU A 18 12.700 4.685 -11.322 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.465 5.356 -12.394 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.654 6.917 -11.622 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.084 6.195 -13.047 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.697 6.083 -14.112 1.00 0.00 H new ATOM 302 N PHE A 19 13.056 6.247 -8.868 1.00 0.00 N ATOM 303 CA PHE A 19 13.818 7.187 -8.052 1.00 0.00 C ATOM 304 C PHE A 19 14.384 6.504 -6.808 1.00 0.00 C ATOM 305 O PHE A 19 15.561 6.148 -6.765 1.00 0.00 O ATOM 306 CB PHE A 19 12.937 8.370 -7.644 1.00 0.00 C ATOM 307 CG PHE A 19 12.555 9.261 -8.789 1.00 0.00 C ATOM 308 CD1 PHE A 19 13.523 9.948 -9.504 1.00 0.00 C ATOM 309 CD2 PHE A 19 11.226 9.411 -9.153 1.00 0.00 C ATOM 310 CE1 PHE A 19 13.173 10.769 -10.559 1.00 0.00 C ATOM 311 CE2 PHE A 19 10.870 10.230 -10.207 1.00 0.00 C ATOM 312 CZ PHE A 19 11.845 10.910 -10.911 1.00 0.00 C ATOM 0 H PHE A 19 12.729 5.422 -8.366 1.00 0.00 H new ATOM 0 HA PHE A 19 14.653 7.552 -8.651 1.00 0.00 H new ATOM 0 HB2 PHE A 19 12.031 7.991 -7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 19 13.463 8.962 -6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.563 9.841 -9.234 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.460 8.881 -8.606 1.00 0.00 H new ATOM 0 HE1 PHE A 19 13.937 11.300 -11.108 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.831 10.339 -10.480 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.569 11.551 -11.735 1.00 0.00 H new ATOM 322 N ARG A 20 13.538 6.329 -5.794 1.00 0.00 N ATOM 323 CA ARG A 20 13.957 5.695 -4.548 1.00 0.00 C ATOM 324 C ARG A 20 13.201 4.385 -4.318 1.00 0.00 C ATOM 325 O ARG A 20 11.970 4.362 -4.344 1.00 0.00 O ATOM 326 CB ARG A 20 13.724 6.644 -3.369 1.00 0.00 C ATOM 327 CG ARG A 20 15.009 7.190 -2.766 1.00 0.00 C ATOM 328 CD ARG A 20 15.467 8.452 -3.478 1.00 0.00 C ATOM 329 NE ARG A 20 16.672 9.016 -2.874 1.00 0.00 N ATOM 330 CZ ARG A 20 16.692 9.619 -1.687 1.00 0.00 C ATOM 331 NH1 ARG A 20 15.579 9.737 -0.975 1.00 0.00 N ATOM 332 NH2 ARG A 20 17.831 10.105 -1.210 1.00 0.00 N ATOM 0 H ARG A 20 12.560 6.617 -5.812 1.00 0.00 H new ATOM 0 HA ARG A 20 15.021 5.470 -4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.105 7.478 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.164 6.119 -2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 20 14.854 7.404 -1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.791 6.433 -2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.659 8.227 -4.527 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.668 9.193 -3.452 1.00 0.00 H new ATOM 0 HE ARG A 20 17.548 8.944 -3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.701 9.365 -1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.601 10.200 -0.066 1.00 0.00 H new ATOM 0 HH21 ARG A 20 18.690 10.016 -1.753 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.847 10.567 -0.301 1.00 0.00 H new ATOM 346 N PRO A 21 13.924 3.271 -4.091 1.00 0.00 N ATOM 347 CA PRO A 21 13.305 1.961 -3.861 1.00 0.00 C ATOM 348 C PRO A 21 12.509 1.908 -2.561 1.00 0.00 C ATOM 349 O PRO A 21 13.077 1.967 -1.471 1.00 0.00 O ATOM 350 CB PRO A 21 14.496 0.992 -3.793 1.00 0.00 C ATOM 351 CG PRO A 21 15.656 1.747 -4.346 1.00 0.00 C ATOM 352 CD PRO A 21 15.392 3.193 -4.046 1.00 0.00 C ATOM 0 HA PRO A 21 12.589 1.719 -4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.687 0.676 -2.767 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.302 0.090 -4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.589 1.418 -3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.752 1.583 -5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.783 3.482 -3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.855 3.850 -4.782 1.00 0.00 H new ATOM 360 N PHE A 22 11.192 1.785 -2.686 1.00 0.00 N ATOM 361 CA PHE A 22 10.318 1.709 -1.522 1.00 0.00 C ATOM 362 C PHE A 22 9.932 0.263 -1.241 1.00 0.00 C ATOM 363 O PHE A 22 10.338 -0.311 -0.235 1.00 0.00 O ATOM 364 CB PHE A 22 9.063 2.557 -1.739 1.00 0.00 C ATOM 365 CG PHE A 22 8.506 3.143 -0.471 1.00 0.00 C ATOM 366 CD1 PHE A 22 8.350 2.356 0.660 1.00 0.00 C ATOM 367 CD2 PHE A 22 8.140 4.477 -0.410 1.00 0.00 C ATOM 368 CE1 PHE A 22 7.837 2.891 1.827 1.00 0.00 C ATOM 369 CE2 PHE A 22 7.627 5.018 0.754 1.00 0.00 C ATOM 370 CZ PHE A 22 7.476 4.223 1.874 1.00 0.00 C ATOM 0 H PHE A 22 10.707 1.736 -3.582 1.00 0.00 H new ATOM 0 HA PHE A 22 10.859 2.100 -0.660 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.296 3.366 -2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.297 1.943 -2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.632 1.314 0.629 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.257 5.103 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.719 2.268 2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.345 6.060 0.788 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.076 4.643 2.785 1.00 0.00 H new ATOM 380 N VAL A 23 9.155 -0.326 -2.142 1.00 0.00 N ATOM 381 CA VAL A 23 8.732 -1.713 -1.989 1.00 0.00 C ATOM 382 C VAL A 23 9.822 -2.676 -2.451 1.00 0.00 C ATOM 383 O VAL A 23 9.678 -3.891 -2.331 1.00 0.00 O ATOM 384 CB VAL A 23 7.440 -1.998 -2.779 1.00 0.00 C ATOM 385 CG1 VAL A 23 6.249 -1.318 -2.119 1.00 0.00 C ATOM 386 CG2 VAL A 23 7.588 -1.549 -4.225 1.00 0.00 C ATOM 0 H VAL A 23 8.806 0.133 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 23 8.541 -1.869 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 23 7.262 -3.073 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.346 -1.531 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.132 -1.695 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.415 -0.241 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.666 -1.758 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.791 -0.479 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.413 -2.088 -4.691 1.00 0.00 H new ATOM 396 N ASP A 24 10.917 -2.128 -2.974 1.00 0.00 N ATOM 397 CA ASP A 24 12.026 -2.947 -3.442 1.00 0.00 C ATOM 398 C ASP A 24 12.572 -3.816 -2.313 1.00 0.00 C ATOM 399 O ASP A 24 13.169 -4.864 -2.560 1.00 0.00 O ATOM 400 CB ASP A 24 13.139 -2.064 -4.008 1.00 0.00 C ATOM 401 CG ASP A 24 13.949 -2.770 -5.079 1.00 0.00 C ATOM 402 OD1 ASP A 24 14.857 -3.548 -4.720 1.00 0.00 O ATOM 403 OD2 ASP A 24 13.674 -2.544 -6.276 1.00 0.00 O ATOM 0 H ASP A 24 11.057 -1.124 -3.083 1.00 0.00 H new ATOM 0 HA ASP A 24 11.656 -3.599 -4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.702 -1.157 -4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.802 -1.756 -3.199 1.00 0.00 H new ATOM 408 N TYR A 25 12.363 -3.379 -1.073 1.00 0.00 N ATOM 409 CA TYR A 25 12.836 -4.130 0.081 1.00 0.00 C ATOM 410 C TYR A 25 12.114 -5.468 0.179 1.00 0.00 C ATOM 411 O TYR A 25 12.716 -6.483 0.530 1.00 0.00 O ATOM 412 CB TYR A 25 12.664 -3.311 1.373 1.00 0.00 C ATOM 413 CG TYR A 25 11.253 -3.278 1.927 1.00 0.00 C ATOM 414 CD1 TYR A 25 10.657 -4.418 2.457 1.00 0.00 C ATOM 415 CD2 TYR A 25 10.519 -2.100 1.925 1.00 0.00 C ATOM 416 CE1 TYR A 25 9.371 -4.382 2.966 1.00 0.00 C ATOM 417 CE2 TYR A 25 9.234 -2.055 2.432 1.00 0.00 C ATOM 418 CZ TYR A 25 8.665 -3.199 2.949 1.00 0.00 C ATOM 419 OH TYR A 25 7.386 -3.158 3.455 1.00 0.00 O ATOM 0 H TYR A 25 11.872 -2.514 -0.845 1.00 0.00 H new ATOM 0 HA TYR A 25 13.900 -4.328 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.328 -3.719 2.135 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.988 -2.288 1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.208 -5.347 2.471 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.960 -1.202 1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.923 -5.276 3.374 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.679 -1.129 2.423 1.00 0.00 H new ATOM 0 HH TYR A 25 7.029 -2.249 3.368 1.00 0.00 H new ATOM 429 N LYS A 26 10.823 -5.469 -0.143 1.00 0.00 N ATOM 430 CA LYS A 26 10.035 -6.695 -0.096 1.00 0.00 C ATOM 431 C LYS A 26 10.554 -7.703 -1.118 1.00 0.00 C ATOM 432 O LYS A 26 10.398 -8.913 -0.947 1.00 0.00 O ATOM 433 CB LYS A 26 8.552 -6.393 -0.344 1.00 0.00 C ATOM 434 CG LYS A 26 8.212 -6.101 -1.799 1.00 0.00 C ATOM 435 CD LYS A 26 7.256 -7.136 -2.370 1.00 0.00 C ATOM 436 CE LYS A 26 5.822 -6.629 -2.373 1.00 0.00 C ATOM 437 NZ LYS A 26 5.084 -7.042 -1.148 1.00 0.00 N ATOM 0 H LYS A 26 10.305 -4.641 -0.437 1.00 0.00 H new ATOM 0 HA LYS A 26 10.135 -7.130 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.958 -7.242 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.260 -5.538 0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.765 -5.110 -1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.127 -6.085 -2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.556 -7.388 -3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.318 -8.053 -1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.822 -5.542 -2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.305 -7.009 -3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.111 -6.677 -1.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.062 -8.080 -1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.563 -6.658 -0.308 1.00 0.00 H new ATOM 451 N ALA A 27 11.179 -7.195 -2.178 1.00 0.00 N ATOM 452 CA ALA A 27 11.729 -8.047 -3.223 1.00 0.00 C ATOM 453 C ALA A 27 12.950 -8.810 -2.719 1.00 0.00 C ATOM 454 O ALA A 27 13.231 -9.919 -3.170 1.00 0.00 O ATOM 455 CB ALA A 27 12.093 -7.216 -4.445 1.00 0.00 C ATOM 0 H ALA A 27 11.316 -6.196 -2.333 1.00 0.00 H new ATOM 0 HA ALA A 27 10.967 -8.773 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.503 -7.866 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.201 -6.718 -4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.836 -6.468 -4.168 1.00 0.00 H new ATOM 461 N GLY A 28 13.673 -8.205 -1.778 1.00 0.00 N ATOM 462 CA GLY A 28 14.855 -8.843 -1.230 1.00 0.00 C ATOM 463 C GLY A 28 14.815 -8.948 0.283 1.00 0.00 C ATOM 464 O GLY A 28 15.857 -8.978 0.936 1.00 0.00 O ATOM 0 H GLY A 28 13.460 -7.287 -1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.955 -9.841 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.739 -8.279 -1.528 1.00 0.00 H new ATOM 468 N LEU A 29 13.609 -9.001 0.841 1.00 0.00 N ATOM 469 CA LEU A 29 13.443 -9.102 2.288 1.00 0.00 C ATOM 470 C LEU A 29 13.641 -10.537 2.769 1.00 0.00 C ATOM 471 O LEU A 29 13.885 -10.776 3.952 1.00 0.00 O ATOM 472 CB LEU A 29 12.058 -8.591 2.701 1.00 0.00 C ATOM 473 CG LEU A 29 11.835 -8.432 4.211 1.00 0.00 C ATOM 474 CD1 LEU A 29 11.529 -9.777 4.853 1.00 0.00 C ATOM 475 CD2 LEU A 29 13.045 -7.783 4.870 1.00 0.00 C ATOM 0 H LEU A 29 12.735 -8.976 0.316 1.00 0.00 H new ATOM 0 HA LEU A 29 14.206 -8.481 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.889 -7.626 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.306 -9.277 2.311 1.00 0.00 H new ATOM 0 HG LEU A 29 10.976 -7.779 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 29 11.374 -9.642 5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.628 -10.197 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.365 -10.457 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.865 -7.680 5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.925 -8.406 4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.212 -6.798 4.434 1.00 0.00 H new ATOM 487 N GLU A 30 13.539 -11.486 1.848 1.00 0.00 N ATOM 488 CA GLU A 30 13.711 -12.896 2.182 1.00 0.00 C ATOM 489 C GLU A 30 14.287 -13.674 1.004 1.00 0.00 C ATOM 490 O GLU A 30 13.890 -14.809 0.742 1.00 0.00 O ATOM 491 CB GLU A 30 12.377 -13.508 2.616 1.00 0.00 C ATOM 492 CG GLU A 30 12.491 -14.951 3.086 1.00 0.00 C ATOM 493 CD GLU A 30 11.503 -15.870 2.396 1.00 0.00 C ATOM 494 OE1 GLU A 30 10.483 -15.365 1.879 1.00 0.00 O ATOM 495 OE2 GLU A 30 11.746 -17.095 2.373 1.00 0.00 O ATOM 0 H GLU A 30 13.338 -11.307 0.864 1.00 0.00 H new ATOM 0 HA GLU A 30 14.417 -12.961 3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.955 -12.905 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.677 -13.461 1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.504 -15.310 2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.328 -14.992 4.163 1.00 0.00 H new ATOM 502 N LYS A 31 15.222 -13.045 0.300 1.00 0.00 N ATOM 503 CA LYS A 31 15.874 -13.652 -0.861 1.00 0.00 C ATOM 504 C LYS A 31 14.854 -14.342 -1.755 1.00 0.00 C ATOM 505 O LYS A 31 15.110 -15.408 -2.317 1.00 0.00 O ATOM 506 CB LYS A 31 16.976 -14.628 -0.421 1.00 0.00 C ATOM 507 CG LYS A 31 16.485 -16.025 -0.058 1.00 0.00 C ATOM 508 CD LYS A 31 16.961 -16.444 1.326 1.00 0.00 C ATOM 509 CE LYS A 31 17.418 -17.894 1.345 1.00 0.00 C ATOM 510 NZ LYS A 31 18.699 -18.084 0.609 1.00 0.00 N ATOM 0 H LYS A 31 15.550 -12.103 0.515 1.00 0.00 H new ATOM 0 HA LYS A 31 16.344 -12.858 -1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 31 17.708 -14.713 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 31 17.494 -14.205 0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.396 -16.049 -0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 31 16.842 -16.741 -0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 31 17.782 -15.799 1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 31 16.154 -16.307 2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 31 17.541 -18.222 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 31 16.647 -18.523 0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 19.105 -19.010 0.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 18.521 -18.043 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 19.367 -17.332 0.874 1.00 0.00 H new ATOM 524 N LYS A 32 13.695 -13.713 -1.876 1.00 0.00 N ATOM 525 CA LYS A 32 12.607 -14.244 -2.698 1.00 0.00 C ATOM 526 C LYS A 32 13.095 -14.595 -4.103 1.00 0.00 C ATOM 527 O LYS A 32 12.522 -15.456 -4.770 1.00 0.00 O ATOM 528 CB LYS A 32 11.462 -13.232 -2.782 1.00 0.00 C ATOM 529 CG LYS A 32 10.226 -13.769 -3.485 1.00 0.00 C ATOM 530 CD LYS A 32 10.147 -13.286 -4.924 1.00 0.00 C ATOM 531 CE LYS A 32 8.718 -13.313 -5.445 1.00 0.00 C ATOM 532 NZ LYS A 32 7.863 -12.291 -4.779 1.00 0.00 N ATOM 0 H LYS A 32 13.479 -12.829 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 32 12.246 -15.157 -2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.190 -12.920 -1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.811 -12.343 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.241 -14.859 -3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.333 -13.453 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.540 -12.272 -4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.777 -13.914 -5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.721 -13.138 -6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.292 -14.303 -5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.071 -12.040 -5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.492 -12.677 -3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.429 -11.442 -4.579 1.00 0.00 H new ATOM 546 N LYS A 33 14.154 -13.924 -4.545 1.00 0.00 N ATOM 547 CA LYS A 33 14.718 -14.167 -5.869 1.00 0.00 C ATOM 548 C LYS A 33 13.717 -13.818 -6.965 1.00 0.00 C ATOM 549 O LYS A 33 12.606 -14.347 -6.998 1.00 0.00 O ATOM 550 CB LYS A 33 15.154 -15.629 -6.000 1.00 0.00 C ATOM 551 CG LYS A 33 15.740 -15.972 -7.362 1.00 0.00 C ATOM 552 CD LYS A 33 16.984 -15.150 -7.661 1.00 0.00 C ATOM 553 CE LYS A 33 16.884 -14.460 -9.012 1.00 0.00 C ATOM 554 NZ LYS A 33 18.220 -14.279 -9.644 1.00 0.00 N ATOM 0 H LYS A 33 14.639 -13.207 -4.006 1.00 0.00 H new ATOM 0 HA LYS A 33 15.590 -13.524 -5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.894 -15.849 -5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.296 -16.273 -5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.988 -17.033 -7.395 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.992 -15.795 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.125 -14.403 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.861 -15.797 -7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.246 -15.047 -9.673 1.00 0.00 H new ATOM 0 HE3 LYS A 33 16.406 -13.488 -8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.108 -13.805 -10.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.821 -13.697 -9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.666 -15.208 -9.786 1.00 0.00 H new ATOM 568 N LEU A 34 14.121 -12.923 -7.863 1.00 0.00 N ATOM 569 CA LEU A 34 13.264 -12.500 -8.966 1.00 0.00 C ATOM 570 C LEU A 34 14.101 -11.958 -10.121 1.00 0.00 C ATOM 571 O LEU A 34 15.181 -11.405 -9.914 1.00 0.00 O ATOM 572 CB LEU A 34 12.265 -11.435 -8.497 1.00 0.00 C ATOM 573 CG LEU A 34 12.795 -10.440 -7.460 1.00 0.00 C ATOM 574 CD1 LEU A 34 12.897 -11.096 -6.091 1.00 0.00 C ATOM 575 CD2 LEU A 34 14.144 -9.881 -7.890 1.00 0.00 C ATOM 0 H LEU A 34 15.038 -12.476 -7.848 1.00 0.00 H new ATOM 0 HA LEU A 34 12.709 -13.371 -9.315 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.922 -10.876 -9.368 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.394 -11.939 -8.078 1.00 0.00 H new ATOM 0 HG LEU A 34 12.090 -9.612 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 34 13.275 -10.373 -5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.911 -11.440 -5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 34 13.578 -11.946 -6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.502 -9.177 -7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 34 14.860 -10.697 -7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.038 -9.369 -8.846 1.00 0.00 H new ATOM 587 N SER A 35 13.597 -12.126 -11.341 1.00 0.00 N ATOM 588 CA SER A 35 14.303 -11.655 -12.528 1.00 0.00 C ATOM 589 C SER A 35 13.726 -10.328 -13.020 1.00 0.00 C ATOM 590 O SER A 35 14.266 -9.261 -12.725 1.00 0.00 O ATOM 591 CB SER A 35 14.232 -12.705 -13.640 1.00 0.00 C ATOM 592 OG SER A 35 14.580 -12.144 -14.894 1.00 0.00 O ATOM 0 H SER A 35 12.706 -12.583 -11.533 1.00 0.00 H new ATOM 0 HA SER A 35 15.347 -11.494 -12.258 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.905 -13.531 -13.408 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.225 -13.119 -13.690 1.00 0.00 H new ATOM 0 HG SER A 35 13.797 -12.150 -15.484 1.00 0.00 H new ATOM 598 N ASP A 36 12.629 -10.400 -13.771 1.00 0.00 N ATOM 599 CA ASP A 36 11.986 -9.202 -14.300 1.00 0.00 C ATOM 600 C ASP A 36 10.466 -9.341 -14.291 1.00 0.00 C ATOM 601 O ASP A 36 9.763 -8.610 -14.990 1.00 0.00 O ATOM 602 CB ASP A 36 12.472 -8.924 -15.724 1.00 0.00 C ATOM 603 CG ASP A 36 12.167 -10.067 -16.673 1.00 0.00 C ATOM 604 OD1 ASP A 36 12.834 -11.118 -16.570 1.00 0.00 O ATOM 605 OD2 ASP A 36 11.261 -9.911 -17.518 1.00 0.00 O ATOM 0 H ASP A 36 12.169 -11.274 -14.026 1.00 0.00 H new ATOM 0 HA ASP A 36 12.258 -8.365 -13.656 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.002 -8.013 -16.094 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.547 -8.745 -15.709 1.00 0.00 H new ATOM 610 N ASP A 37 9.961 -10.280 -13.495 1.00 0.00 N ATOM 611 CA ASP A 37 8.523 -10.508 -13.398 1.00 0.00 C ATOM 612 C ASP A 37 7.951 -9.865 -12.136 1.00 0.00 C ATOM 613 O ASP A 37 6.744 -9.640 -12.039 1.00 0.00 O ATOM 614 CB ASP A 37 8.224 -12.008 -13.404 1.00 0.00 C ATOM 615 CG ASP A 37 7.765 -12.501 -14.763 1.00 0.00 C ATOM 616 OD1 ASP A 37 8.617 -12.627 -15.667 1.00 0.00 O ATOM 617 OD2 ASP A 37 6.555 -12.764 -14.922 1.00 0.00 O ATOM 0 H ASP A 37 10.526 -10.894 -12.909 1.00 0.00 H new ATOM 0 HA ASP A 37 8.047 -10.046 -14.263 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.118 -12.555 -13.105 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.455 -12.225 -12.663 1.00 0.00 H new ATOM 622 N ASP A 38 8.821 -9.572 -11.174 1.00 0.00 N ATOM 623 CA ASP A 38 8.400 -8.958 -9.920 1.00 0.00 C ATOM 624 C ASP A 38 7.675 -7.639 -10.173 1.00 0.00 C ATOM 625 O ASP A 38 8.293 -6.574 -10.199 1.00 0.00 O ATOM 626 CB ASP A 38 9.613 -8.722 -9.016 1.00 0.00 C ATOM 627 CG ASP A 38 9.337 -9.090 -7.571 1.00 0.00 C ATOM 628 OD1 ASP A 38 8.868 -10.221 -7.326 1.00 0.00 O ATOM 629 OD2 ASP A 38 9.590 -8.247 -6.685 1.00 0.00 O ATOM 0 H ASP A 38 9.823 -9.750 -11.240 1.00 0.00 H new ATOM 0 HA ASP A 38 7.709 -9.639 -9.424 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.456 -9.308 -9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.906 -7.674 -9.072 1.00 0.00 H new ATOM 634 N GLU A 39 6.361 -7.717 -10.361 1.00 0.00 N ATOM 635 CA GLU A 39 5.553 -6.529 -10.613 1.00 0.00 C ATOM 636 C GLU A 39 4.872 -6.054 -9.334 1.00 0.00 C ATOM 637 O GLU A 39 4.107 -6.793 -8.715 1.00 0.00 O ATOM 638 CB GLU A 39 4.502 -6.818 -11.687 1.00 0.00 C ATOM 639 CG GLU A 39 4.244 -5.643 -12.616 1.00 0.00 C ATOM 640 CD GLU A 39 3.469 -6.040 -13.858 1.00 0.00 C ATOM 641 OE1 GLU A 39 2.599 -6.929 -13.756 1.00 0.00 O ATOM 642 OE2 GLU A 39 3.734 -5.461 -14.933 1.00 0.00 O ATOM 0 H GLU A 39 5.834 -8.590 -10.344 1.00 0.00 H new ATOM 0 HA GLU A 39 6.215 -5.739 -10.967 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.825 -7.674 -12.279 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.567 -7.100 -11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.691 -4.874 -12.078 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.196 -5.203 -12.912 1.00 0.00 H new ATOM 649 N ILE A 40 5.153 -4.814 -8.943 1.00 0.00 N ATOM 650 CA ILE A 40 4.565 -4.242 -7.737 1.00 0.00 C ATOM 651 C ILE A 40 3.739 -3.004 -8.064 1.00 0.00 C ATOM 652 O ILE A 40 4.023 -2.292 -9.027 1.00 0.00 O ATOM 653 CB ILE A 40 5.645 -3.866 -6.701 1.00 0.00 C ATOM 654 CG1 ILE A 40 6.721 -4.951 -6.628 1.00 0.00 C ATOM 655 CG2 ILE A 40 5.011 -3.649 -5.335 1.00 0.00 C ATOM 656 CD1 ILE A 40 6.186 -6.305 -6.216 1.00 0.00 C ATOM 0 H ILE A 40 5.783 -4.187 -9.443 1.00 0.00 H new ATOM 0 HA ILE A 40 3.918 -5.008 -7.310 1.00 0.00 H new ATOM 0 HB ILE A 40 6.119 -2.936 -7.016 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.202 -5.040 -7.602 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.490 -4.642 -5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.784 -3.384 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.281 -2.842 -5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.514 -4.565 -5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.004 -7.025 -6.185 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.730 -6.231 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.438 -6.636 -6.937 1.00 0.00 H new ATOM 668 N ALA A 41 2.715 -2.750 -7.255 1.00 0.00 N ATOM 669 CA ALA A 41 1.849 -1.596 -7.459 1.00 0.00 C ATOM 670 C ALA A 41 1.252 -1.120 -6.141 1.00 0.00 C ATOM 671 O ALA A 41 0.449 -1.820 -5.523 1.00 0.00 O ATOM 672 CB ALA A 41 0.744 -1.933 -8.449 1.00 0.00 C ATOM 0 H ALA A 41 2.465 -3.328 -6.453 1.00 0.00 H new ATOM 0 HA ALA A 41 2.454 -0.787 -7.868 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.105 -1.062 -8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.186 -2.219 -9.404 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.149 -2.760 -8.062 1.00 0.00 H new ATOM 678 N ILE A 42 1.649 0.073 -5.714 1.00 0.00 N ATOM 679 CA ILE A 42 1.150 0.640 -4.467 1.00 0.00 C ATOM 680 C ILE A 42 0.018 1.626 -4.729 1.00 0.00 C ATOM 681 O ILE A 42 0.231 2.695 -5.302 1.00 0.00 O ATOM 682 CB ILE A 42 2.271 1.351 -3.681 1.00 0.00 C ATOM 683 CG1 ILE A 42 3.447 0.399 -3.455 1.00 0.00 C ATOM 684 CG2 ILE A 42 1.742 1.871 -2.352 1.00 0.00 C ATOM 685 CD1 ILE A 42 4.782 1.102 -3.347 1.00 0.00 C ATOM 0 H ILE A 42 2.314 0.665 -6.212 1.00 0.00 H new ATOM 0 HA ILE A 42 0.774 -0.190 -3.869 1.00 0.00 H new ATOM 0 HB ILE A 42 2.621 2.201 -4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.272 -0.172 -2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.488 -0.316 -4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.546 2.370 -1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.933 2.579 -2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.367 1.037 -1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.569 0.365 -3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.980 1.651 -4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.760 1.797 -2.508 1.00 0.00 H new ATOM 697 N ILE A 43 -1.185 1.261 -4.301 1.00 0.00 N ATOM 698 CA ILE A 43 -2.351 2.114 -4.485 1.00 0.00 C ATOM 699 C ILE A 43 -2.748 2.778 -3.173 1.00 0.00 C ATOM 700 O ILE A 43 -2.805 2.128 -2.129 1.00 0.00 O ATOM 701 CB ILE A 43 -3.550 1.318 -5.034 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.127 0.494 -6.252 1.00 0.00 C ATOM 703 CG2 ILE A 43 -4.691 2.258 -5.394 1.00 0.00 C ATOM 704 CD1 ILE A 43 -4.149 -0.541 -6.666 1.00 0.00 C ATOM 0 H ILE A 43 -1.378 0.380 -3.824 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.077 2.880 -5.210 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.899 0.635 -4.259 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.943 1.167 -7.090 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.184 -0.006 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.530 1.680 -5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.006 2.805 -4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.355 2.963 -6.154 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.782 -1.087 -7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.315 -1.237 -5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.087 -0.046 -6.918 1.00 0.00 H new ATOM 716 N SER A 44 -3.017 4.078 -3.229 1.00 0.00 N ATOM 717 CA SER A 44 -3.402 4.825 -2.039 1.00 0.00 C ATOM 718 C SER A 44 -4.248 6.042 -2.400 1.00 0.00 C ATOM 719 O SER A 44 -3.833 6.884 -3.195 1.00 0.00 O ATOM 720 CB SER A 44 -2.156 5.270 -1.269 1.00 0.00 C ATOM 721 OG SER A 44 -0.997 5.191 -2.081 1.00 0.00 O ATOM 0 H SER A 44 -2.976 4.634 -4.083 1.00 0.00 H new ATOM 0 HA SER A 44 -4.001 4.167 -1.410 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.288 6.293 -0.918 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.028 4.644 -0.386 1.00 0.00 H new ATOM 0 HG SER A 44 -0.216 5.482 -1.566 1.00 0.00 H new ATOM 727 N ILE A 45 -5.428 6.134 -1.797 1.00 0.00 N ATOM 728 CA ILE A 45 -6.324 7.256 -2.043 1.00 0.00 C ATOM 729 C ILE A 45 -5.910 8.456 -1.201 1.00 0.00 C ATOM 730 O ILE A 45 -6.118 9.607 -1.590 1.00 0.00 O ATOM 731 CB ILE A 45 -7.789 6.895 -1.728 1.00 0.00 C ATOM 732 CG1 ILE A 45 -8.154 5.550 -2.359 1.00 0.00 C ATOM 733 CG2 ILE A 45 -8.721 7.989 -2.222 1.00 0.00 C ATOM 734 CD1 ILE A 45 -7.927 4.370 -1.439 1.00 0.00 C ATOM 0 H ILE A 45 -5.785 5.445 -1.135 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.251 7.504 -3.102 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.902 6.809 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.202 5.571 -2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.566 5.412 -3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.752 7.720 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.473 8.929 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.608 8.104 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.207 3.450 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.875 4.324 -1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.536 4.485 -0.542 1.00 0.00 H new ATOM 746 N LYS A 46 -5.313 8.176 -0.047 1.00 0.00 N ATOM 747 CA LYS A 46 -4.852 9.220 0.860 1.00 0.00 C ATOM 748 C LYS A 46 -3.405 8.961 1.265 1.00 0.00 C ATOM 749 O LYS A 46 -2.770 8.033 0.764 1.00 0.00 O ATOM 750 CB LYS A 46 -5.738 9.288 2.110 1.00 0.00 C ATOM 751 CG LYS A 46 -7.168 8.818 1.886 1.00 0.00 C ATOM 752 CD LYS A 46 -7.973 9.834 1.092 1.00 0.00 C ATOM 753 CE LYS A 46 -9.434 9.836 1.511 1.00 0.00 C ATOM 754 NZ LYS A 46 -9.976 8.456 1.645 1.00 0.00 N ATOM 0 H LYS A 46 -5.136 7.227 0.283 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.915 10.176 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.287 8.682 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.758 10.316 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.160 7.865 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.649 8.643 2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.550 10.828 1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.899 9.608 0.028 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.538 10.361 2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.021 10.387 0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.012 8.480 1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.581 7.854 0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.714 8.069 2.574 1.00 0.00 H new ATOM 768 N GLY A 47 -2.887 9.781 2.171 1.00 0.00 N ATOM 769 CA GLY A 47 -1.517 9.614 2.621 1.00 0.00 C ATOM 770 C GLY A 47 -1.416 9.354 4.112 1.00 0.00 C ATOM 771 O GLY A 47 -0.433 8.783 4.582 1.00 0.00 O ATOM 0 H GLY A 47 -3.389 10.557 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.060 8.785 2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.946 10.509 2.373 1.00 0.00 H new ATOM 775 N THR A 48 -2.434 9.772 4.859 1.00 0.00 N ATOM 776 CA THR A 48 -2.449 9.579 6.303 1.00 0.00 C ATOM 777 C THR A 48 -3.378 8.433 6.693 1.00 0.00 C ATOM 778 O THR A 48 -3.182 7.785 7.721 1.00 0.00 O ATOM 779 CB THR A 48 -2.889 10.865 7.004 1.00 0.00 C ATOM 780 OG1 THR A 48 -2.945 10.678 8.407 1.00 0.00 O ATOM 781 CG2 THR A 48 -4.246 11.359 6.552 1.00 0.00 C ATOM 0 H THR A 48 -3.257 10.246 4.488 1.00 0.00 H new ATOM 0 HA THR A 48 -1.437 9.325 6.619 1.00 0.00 H new ATOM 0 HB THR A 48 -2.141 11.611 6.735 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.227 11.512 8.837 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.497 12.274 7.088 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.221 11.561 5.481 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.998 10.598 6.760 1.00 0.00 H new ATOM 789 N GLN A 49 -4.390 8.188 5.867 1.00 0.00 N ATOM 790 CA GLN A 49 -5.348 7.121 6.129 1.00 0.00 C ATOM 791 C GLN A 49 -5.071 5.906 5.249 1.00 0.00 C ATOM 792 O GLN A 49 -4.607 4.872 5.731 1.00 0.00 O ATOM 793 CB GLN A 49 -6.776 7.622 5.896 1.00 0.00 C ATOM 794 CG GLN A 49 -7.495 8.022 7.174 1.00 0.00 C ATOM 795 CD GLN A 49 -7.172 9.439 7.605 1.00 0.00 C ATOM 796 OE1 GLN A 49 -6.650 9.664 8.697 1.00 0.00 O ATOM 797 NE2 GLN A 49 -7.481 10.405 6.747 1.00 0.00 N ATOM 0 H GLN A 49 -4.567 8.714 5.011 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.240 6.820 7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.747 8.478 5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.349 6.842 5.395 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.571 7.927 7.026 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.221 7.332 7.972 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.913 10.174 5.852 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.286 11.378 6.983 1.00 0.00 H new ATOM 806 N SER A 50 -5.363 6.034 3.959 1.00 0.00 N ATOM 807 CA SER A 50 -5.148 4.943 3.016 1.00 0.00 C ATOM 808 C SER A 50 -3.673 4.812 2.652 1.00 0.00 C ATOM 809 O SER A 50 -2.969 5.810 2.492 1.00 0.00 O ATOM 810 CB SER A 50 -5.983 5.162 1.752 1.00 0.00 C ATOM 811 OG SER A 50 -6.740 4.006 1.438 1.00 0.00 O ATOM 0 H SER A 50 -5.749 6.882 3.543 1.00 0.00 H new ATOM 0 HA SER A 50 -5.463 4.017 3.496 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.651 6.011 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.328 5.410 0.917 1.00 0.00 H new ATOM 0 HG SER A 50 -7.694 4.228 1.445 1.00 0.00 H new ATOM 817 N ASN A 51 -3.215 3.572 2.522 1.00 0.00 N ATOM 818 CA ASN A 51 -1.824 3.294 2.176 1.00 0.00 C ATOM 819 C ASN A 51 -1.585 1.789 2.095 1.00 0.00 C ATOM 820 O ASN A 51 -1.006 1.193 3.003 1.00 0.00 O ATOM 821 CB ASN A 51 -0.882 3.919 3.207 1.00 0.00 C ATOM 822 CG ASN A 51 0.421 4.385 2.591 1.00 0.00 C ATOM 823 OD1 ASN A 51 0.585 4.373 1.371 1.00 0.00 O ATOM 824 ND2 ASN A 51 1.359 4.802 3.435 1.00 0.00 N ATOM 0 H ASN A 51 -3.789 2.739 2.652 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.619 3.735 1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.378 4.765 3.683 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.671 3.191 3.990 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.257 5.129 3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.181 4.795 4.439 1.00 0.00 H new ATOM 831 N HIS A 52 -2.046 1.176 1.008 1.00 0.00 N ATOM 832 CA HIS A 52 -1.892 -0.263 0.819 1.00 0.00 C ATOM 833 C HIS A 52 -1.058 -0.578 -0.419 1.00 0.00 C ATOM 834 O HIS A 52 -0.992 0.217 -1.358 1.00 0.00 O ATOM 835 CB HIS A 52 -3.264 -0.929 0.702 1.00 0.00 C ATOM 836 CG HIS A 52 -4.121 -0.348 -0.379 1.00 0.00 C ATOM 837 ND1 HIS A 52 -4.801 0.844 -0.244 1.00 0.00 N ATOM 838 CD2 HIS A 52 -4.405 -0.801 -1.624 1.00 0.00 C ATOM 839 CE1 HIS A 52 -5.467 1.098 -1.357 1.00 0.00 C ATOM 840 NE2 HIS A 52 -5.243 0.117 -2.209 1.00 0.00 N ATOM 0 H HIS A 52 -2.528 1.653 0.246 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.369 -0.658 1.690 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.127 -1.994 0.513 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.785 -0.839 1.655 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.041 -1.713 -2.073 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.089 1.962 -1.538 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -5.630 0.050 -3.151 1.00 0.00 H new ATOM 849 N VAL A 53 -0.426 -1.749 -0.412 1.00 0.00 N ATOM 850 CA VAL A 53 0.403 -2.185 -1.530 1.00 0.00 C ATOM 851 C VAL A 53 0.035 -3.602 -1.957 1.00 0.00 C ATOM 852 O VAL A 53 0.095 -4.537 -1.159 1.00 0.00 O ATOM 853 CB VAL A 53 1.902 -2.135 -1.169 1.00 0.00 C ATOM 854 CG1 VAL A 53 2.189 -3.012 0.040 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.756 -2.556 -2.356 1.00 0.00 C ATOM 0 H VAL A 53 -0.473 -2.415 0.359 1.00 0.00 H new ATOM 0 HA VAL A 53 0.217 -1.499 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 53 2.159 -1.107 -0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.251 -2.964 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.608 -2.659 0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.914 -4.042 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.810 -2.513 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.498 -3.574 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.573 -1.882 -3.193 1.00 0.00 H new ATOM 865 N LEU A 54 -0.348 -3.755 -3.222 1.00 0.00 N ATOM 866 CA LEU A 54 -0.729 -5.059 -3.752 1.00 0.00 C ATOM 867 C LEU A 54 0.415 -5.680 -4.551 1.00 0.00 C ATOM 868 O LEU A 54 1.280 -4.972 -5.068 1.00 0.00 O ATOM 869 CB LEU A 54 -1.972 -4.931 -4.636 1.00 0.00 C ATOM 870 CG LEU A 54 -3.300 -5.210 -3.929 1.00 0.00 C ATOM 871 CD1 LEU A 54 -4.469 -4.910 -4.854 1.00 0.00 C ATOM 872 CD2 LEU A 54 -3.354 -6.652 -3.448 1.00 0.00 C ATOM 0 H LEU A 54 -0.402 -2.993 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.956 -5.712 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.003 -3.923 -5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.874 -5.618 -5.477 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.373 -4.555 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.405 -5.114 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.439 -3.861 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.402 -5.539 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.305 -6.833 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.259 -7.324 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.536 -6.834 -2.750 1.00 0.00 H new ATOM 884 N PHE A 55 0.409 -7.005 -4.647 1.00 0.00 N ATOM 885 CA PHE A 55 1.444 -7.725 -5.382 1.00 0.00 C ATOM 886 C PHE A 55 0.858 -8.405 -6.617 1.00 0.00 C ATOM 887 O PHE A 55 -0.246 -8.950 -6.572 1.00 0.00 O ATOM 888 CB PHE A 55 2.112 -8.763 -4.478 1.00 0.00 C ATOM 889 CG PHE A 55 3.163 -9.582 -5.173 1.00 0.00 C ATOM 890 CD1 PHE A 55 4.244 -8.970 -5.786 1.00 0.00 C ATOM 891 CD2 PHE A 55 3.068 -10.964 -5.213 1.00 0.00 C ATOM 892 CE1 PHE A 55 5.210 -9.721 -6.427 1.00 0.00 C ATOM 893 CE2 PHE A 55 4.032 -11.720 -5.852 1.00 0.00 C ATOM 894 CZ PHE A 55 5.105 -11.097 -6.461 1.00 0.00 C ATOM 0 H PHE A 55 -0.301 -7.603 -4.225 1.00 0.00 H new ATOM 0 HA PHE A 55 2.194 -7.005 -5.708 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.565 -8.253 -3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.348 -9.431 -4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.332 -7.894 -5.762 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.231 -11.456 -4.739 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.048 -9.232 -6.902 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.947 -12.796 -5.876 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.859 -11.685 -6.962 1.00 0.00 H new ATOM 904 N LEU A 56 1.604 -8.370 -7.716 1.00 0.00 N ATOM 905 CA LEU A 56 1.160 -8.985 -8.962 1.00 0.00 C ATOM 906 C LEU A 56 2.342 -9.560 -9.736 1.00 0.00 C ATOM 907 O LEU A 56 3.363 -8.895 -9.915 1.00 0.00 O ATOM 908 CB LEU A 56 0.417 -7.963 -9.828 1.00 0.00 C ATOM 909 CG LEU A 56 0.932 -6.523 -9.728 1.00 0.00 C ATOM 910 CD1 LEU A 56 1.292 -5.984 -11.105 1.00 0.00 C ATOM 911 CD2 LEU A 56 -0.102 -5.629 -9.059 1.00 0.00 C ATOM 0 H LEU A 56 2.519 -7.922 -7.769 1.00 0.00 H new ATOM 0 HA LEU A 56 0.480 -9.799 -8.712 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.477 -8.281 -10.869 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.637 -7.975 -9.551 1.00 0.00 H new ATOM 0 HG LEU A 56 1.833 -6.525 -9.114 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.655 -4.961 -11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.070 -6.606 -11.547 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.409 -5.999 -11.744 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.283 -4.611 -8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.021 -5.635 -9.645 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.309 -6.000 -8.055 1.00 0.00 H new ATOM 923 N SER A 57 2.196 -10.800 -10.193 1.00 0.00 N ATOM 924 CA SER A 57 3.252 -11.465 -10.949 1.00 0.00 C ATOM 925 C SER A 57 3.120 -11.172 -12.440 1.00 0.00 C ATOM 926 O SER A 57 4.057 -10.683 -13.072 1.00 0.00 O ATOM 927 CB SER A 57 3.209 -12.974 -10.706 1.00 0.00 C ATOM 928 OG SER A 57 4.215 -13.640 -11.451 1.00 0.00 O ATOM 0 H SER A 57 1.358 -11.364 -10.053 1.00 0.00 H new ATOM 0 HA SER A 57 4.211 -11.077 -10.605 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.343 -13.178 -9.644 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.229 -13.362 -10.984 1.00 0.00 H new ATOM 0 HG SER A 57 4.167 -14.603 -11.277 1.00 0.00 H new ATOM 934 N SER A 58 1.951 -11.476 -12.996 1.00 0.00 N ATOM 935 CA SER A 58 1.696 -11.244 -14.414 1.00 0.00 C ATOM 936 C SER A 58 0.414 -10.440 -14.611 1.00 0.00 C ATOM 937 O SER A 58 -0.525 -10.548 -13.822 1.00 0.00 O ATOM 938 CB SER A 58 1.596 -12.577 -15.160 1.00 0.00 C ATOM 939 OG SER A 58 2.186 -12.488 -16.445 1.00 0.00 O ATOM 0 H SER A 58 1.166 -11.883 -12.487 1.00 0.00 H new ATOM 0 HA SER A 58 2.530 -10.670 -14.819 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.090 -13.358 -14.583 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.549 -12.866 -15.256 1.00 0.00 H new ATOM 0 HG SER A 58 2.111 -13.353 -16.900 1.00 0.00 H new ATOM 945 N TYR A 59 0.384 -9.632 -15.666 1.00 0.00 N ATOM 946 CA TYR A 59 -0.782 -8.808 -15.963 1.00 0.00 C ATOM 947 C TYR A 59 -1.092 -8.821 -17.456 1.00 0.00 C ATOM 948 O TYR A 59 -0.187 -8.764 -18.290 1.00 0.00 O ATOM 949 CB TYR A 59 -0.549 -7.372 -15.491 1.00 0.00 C ATOM 950 CG TYR A 59 -1.823 -6.610 -15.194 1.00 0.00 C ATOM 951 CD1 TYR A 59 -2.475 -6.758 -13.975 1.00 0.00 C ATOM 952 CD2 TYR A 59 -2.370 -5.740 -16.128 1.00 0.00 C ATOM 953 CE1 TYR A 59 -3.637 -6.060 -13.699 1.00 0.00 C ATOM 954 CE2 TYR A 59 -3.527 -5.037 -15.857 1.00 0.00 C ATOM 955 CZ TYR A 59 -4.156 -5.201 -14.642 1.00 0.00 C ATOM 956 OH TYR A 59 -5.306 -4.499 -14.367 1.00 0.00 O ATOM 0 H TYR A 59 1.153 -9.530 -16.329 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.637 -9.225 -15.430 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.069 -7.391 -14.594 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.014 -6.836 -16.255 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.068 -7.428 -13.232 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.882 -5.611 -17.083 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.135 -6.188 -12.749 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.937 -4.362 -16.594 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.608 -4.709 -13.459 1.00 0.00 H new ATOM 966 N ASN A 60 -2.377 -8.896 -17.786 1.00 0.00 N ATOM 967 CA ASN A 60 -2.812 -8.916 -19.177 1.00 0.00 C ATOM 968 C ASN A 60 -4.097 -8.113 -19.350 1.00 0.00 C ATOM 969 O ASN A 60 -4.543 -7.437 -18.423 1.00 0.00 O ATOM 970 CB ASN A 60 -3.028 -10.357 -19.644 1.00 0.00 C ATOM 971 CG ASN A 60 -4.081 -11.078 -18.825 1.00 0.00 C ATOM 972 OD1 ASN A 60 -5.317 -11.071 -19.312 1.00 0.00 O flip ATOM 973 ND2 ASN A 60 -3.787 -11.635 -17.768 1.00 0.00 N flip ATOM 0 H ASN A 60 -3.137 -8.944 -17.107 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.032 -8.459 -19.786 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.325 -10.356 -20.693 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.086 -10.902 -19.580 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.824 -11.615 -17.432 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.506 -12.117 -17.228 1.00 0.00 H new ATOM 980 N SER A 61 -4.688 -8.192 -20.537 1.00 0.00 N ATOM 981 CA SER A 61 -5.924 -7.471 -20.825 1.00 0.00 C ATOM 982 C SER A 61 -7.121 -8.417 -20.804 1.00 0.00 C ATOM 983 O SER A 61 -7.275 -9.259 -21.690 1.00 0.00 O ATOM 984 CB SER A 61 -5.829 -6.781 -22.186 1.00 0.00 C ATOM 985 OG SER A 61 -5.395 -7.685 -23.189 1.00 0.00 O ATOM 0 H SER A 61 -4.332 -8.747 -21.315 1.00 0.00 H new ATOM 0 HA SER A 61 -6.066 -6.716 -20.051 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.802 -6.371 -22.458 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.136 -5.942 -22.124 1.00 0.00 H new ATOM 0 HG SER A 61 -5.813 -8.560 -23.044 1.00 0.00 H new ATOM 991 N VAL A 62 -7.967 -8.273 -19.788 1.00 0.00 N ATOM 992 CA VAL A 62 -9.151 -9.117 -19.656 1.00 0.00 C ATOM 993 C VAL A 62 -10.282 -8.392 -18.928 1.00 0.00 C ATOM 994 O VAL A 62 -11.202 -9.027 -18.415 1.00 0.00 O ATOM 995 CB VAL A 62 -8.835 -10.430 -18.909 1.00 0.00 C ATOM 996 CG1 VAL A 62 -8.274 -11.467 -19.869 1.00 0.00 C ATOM 997 CG2 VAL A 62 -7.871 -10.179 -17.758 1.00 0.00 C ATOM 0 H VAL A 62 -7.856 -7.582 -19.046 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.472 -9.352 -20.671 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.764 -10.818 -18.491 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.057 -12.386 -19.325 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.005 -11.672 -20.651 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.357 -11.087 -20.320 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.663 -11.119 -17.246 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.941 -9.764 -18.146 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.318 -9.475 -17.056 1.00 0.00 H new ATOM 1007 N ASP A 63 -10.214 -7.063 -18.895 1.00 0.00 N ATOM 1008 CA ASP A 63 -11.239 -6.252 -18.239 1.00 0.00 C ATOM 1009 C ASP A 63 -11.206 -6.422 -16.721 1.00 0.00 C ATOM 1010 O ASP A 63 -11.041 -5.451 -15.983 1.00 0.00 O ATOM 1011 CB ASP A 63 -12.628 -6.611 -18.772 1.00 0.00 C ATOM 1012 CG ASP A 63 -12.685 -6.611 -20.287 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -11.822 -7.259 -20.914 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -13.594 -5.963 -20.847 1.00 0.00 O ATOM 0 H ASP A 63 -9.458 -6.523 -19.316 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.024 -5.208 -18.467 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.913 -7.595 -18.401 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.358 -5.900 -18.384 1.00 0.00 H new ATOM 1019 N GLU A 64 -11.367 -7.659 -16.257 1.00 0.00 N ATOM 1020 CA GLU A 64 -11.359 -7.947 -14.828 1.00 0.00 C ATOM 1021 C GLU A 64 -10.050 -7.496 -14.196 1.00 0.00 C ATOM 1022 O GLU A 64 -10.037 -6.923 -13.107 1.00 0.00 O ATOM 1023 CB GLU A 64 -11.570 -9.443 -14.586 1.00 0.00 C ATOM 1024 CG GLU A 64 -10.570 -10.324 -15.317 1.00 0.00 C ATOM 1025 CD GLU A 64 -10.819 -11.802 -15.087 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -11.948 -12.159 -14.691 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -9.884 -12.601 -15.302 1.00 0.00 O ATOM 0 H GLU A 64 -11.504 -8.477 -16.851 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.176 -7.395 -14.364 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.504 -9.643 -13.516 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.578 -9.715 -14.899 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.618 -10.113 -16.385 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.562 -10.073 -14.988 1.00 0.00 H new ATOM 1034 N ILE A 65 -8.950 -7.755 -14.892 1.00 0.00 N ATOM 1035 CA ILE A 65 -7.629 -7.370 -14.406 1.00 0.00 C ATOM 1036 C ILE A 65 -7.593 -5.893 -14.026 1.00 0.00 C ATOM 1037 O ILE A 65 -7.084 -5.528 -12.967 1.00 0.00 O ATOM 1038 CB ILE A 65 -6.535 -7.643 -15.457 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -6.969 -7.139 -16.838 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -6.213 -9.129 -15.508 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -6.512 -5.728 -17.141 1.00 0.00 C ATOM 0 H ILE A 65 -8.945 -8.230 -15.795 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.431 -7.978 -13.523 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.635 -7.101 -15.166 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.575 -7.811 -17.601 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.056 -7.182 -16.906 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.439 -9.308 -16.254 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.859 -9.458 -14.531 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.111 -9.687 -15.775 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.856 -5.440 -18.134 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.927 -5.044 -16.401 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.423 -5.683 -17.106 1.00 0.00 H new ATOM 1053 N ARG A 66 -8.139 -5.051 -14.896 1.00 0.00 N ATOM 1054 CA ARG A 66 -8.171 -3.614 -14.650 1.00 0.00 C ATOM 1055 C ARG A 66 -9.333 -3.245 -13.734 1.00 0.00 C ATOM 1056 O ARG A 66 -9.217 -2.349 -12.898 1.00 0.00 O ATOM 1057 CB ARG A 66 -8.285 -2.851 -15.972 1.00 0.00 C ATOM 1058 CG ARG A 66 -9.575 -3.130 -16.726 1.00 0.00 C ATOM 1059 CD ARG A 66 -9.719 -2.228 -17.942 1.00 0.00 C ATOM 1060 NE ARG A 66 -9.362 -0.842 -17.644 1.00 0.00 N ATOM 1061 CZ ARG A 66 -10.105 -0.030 -16.896 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -11.246 -0.460 -16.370 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -9.708 1.216 -16.675 1.00 0.00 N ATOM 0 H ARG A 66 -8.565 -5.338 -15.777 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.240 -3.334 -14.157 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.215 -1.782 -15.772 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.439 -3.113 -16.607 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.594 -4.173 -17.042 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.425 -2.983 -16.060 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.084 -2.600 -18.746 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.747 -2.268 -18.303 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.493 -0.476 -18.032 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.557 -1.417 -16.539 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.812 0.167 -15.797 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.833 1.552 -17.078 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.277 1.839 -16.102 1.00 0.00 H new ATOM 1077 N LYS A 67 -10.454 -3.941 -13.898 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.638 -3.685 -13.084 1.00 0.00 C ATOM 1079 C LYS A 67 -11.335 -3.890 -11.603 1.00 0.00 C ATOM 1080 O LYS A 67 -11.858 -3.176 -10.748 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.787 -4.599 -13.514 1.00 0.00 C ATOM 1082 CG LYS A 67 -14.069 -4.372 -12.729 1.00 0.00 C ATOM 1083 CD LYS A 67 -15.300 -4.632 -13.583 1.00 0.00 C ATOM 1084 CE LYS A 67 -16.414 -5.274 -12.773 1.00 0.00 C ATOM 1085 NZ LYS A 67 -15.967 -6.532 -12.112 1.00 0.00 N ATOM 0 H LYS A 67 -10.568 -4.685 -14.586 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.934 -2.647 -13.235 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.987 -4.443 -14.574 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.478 -5.638 -13.397 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.084 -5.027 -11.858 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.093 -3.348 -12.357 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.653 -3.693 -14.009 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.035 -5.281 -14.417 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.764 -4.571 -12.017 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.260 -5.488 -13.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.778 -7.173 -12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.240 -6.992 -12.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.570 -6.311 -11.177 1.00 0.00 H new ATOM 1099 N GLU A 68 -10.486 -4.869 -11.307 1.00 0.00 N ATOM 1100 CA GLU A 68 -10.113 -5.165 -9.928 1.00 0.00 C ATOM 1101 C GLU A 68 -9.132 -4.125 -9.397 1.00 0.00 C ATOM 1102 O GLU A 68 -9.267 -3.648 -8.270 1.00 0.00 O ATOM 1103 CB GLU A 68 -9.496 -6.562 -9.830 1.00 0.00 C ATOM 1104 CG GLU A 68 -9.827 -7.282 -8.533 1.00 0.00 C ATOM 1105 CD GLU A 68 -8.627 -7.991 -7.937 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -7.861 -8.610 -8.705 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -8.453 -7.927 -6.702 1.00 0.00 O ATOM 0 H GLU A 68 -10.044 -5.470 -12.002 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.016 -5.133 -9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.844 -7.164 -10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.413 -6.480 -9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.215 -6.563 -7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.619 -8.008 -8.717 1.00 0.00 H new ATOM 1114 N LEU A 69 -8.146 -3.778 -10.217 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.143 -2.793 -9.831 1.00 0.00 C ATOM 1116 C LEU A 69 -7.790 -1.441 -9.551 1.00 0.00 C ATOM 1117 O LEU A 69 -7.605 -0.861 -8.480 1.00 0.00 O ATOM 1118 CB LEU A 69 -6.089 -2.649 -10.932 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.686 -2.289 -10.443 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.064 -3.458 -9.694 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.806 -1.874 -11.613 1.00 0.00 C ATOM 0 H LEU A 69 -8.020 -4.164 -11.153 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.660 -3.141 -8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.035 -3.586 -11.486 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.420 -1.883 -11.633 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.766 -1.447 -9.756 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.066 -3.182 -9.354 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.684 -3.710 -8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.996 -4.320 -10.357 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.811 -1.621 -11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.733 -2.697 -12.324 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.243 -1.006 -12.107 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.554 -0.946 -10.519 1.00 0.00 N ATOM 1134 CA GLU A 70 -9.234 0.337 -10.378 1.00 0.00 C ATOM 1135 C GLU A 70 -10.143 0.337 -9.153 1.00 0.00 C ATOM 1136 O GLU A 70 -10.276 1.349 -8.465 1.00 0.00 O ATOM 1137 CB GLU A 70 -10.051 0.646 -11.635 1.00 0.00 C ATOM 1138 CG GLU A 70 -9.925 2.087 -12.103 1.00 0.00 C ATOM 1139 CD GLU A 70 -10.284 2.259 -13.566 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -11.490 2.209 -13.891 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -9.361 2.442 -14.386 1.00 0.00 O ATOM 0 H GLU A 70 -8.718 -1.414 -11.410 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.477 1.110 -10.247 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.731 -0.018 -12.438 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.101 0.427 -11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.573 2.720 -11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.903 2.430 -11.941 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.765 -0.806 -8.887 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.660 -0.943 -7.744 1.00 0.00 C ATOM 1150 C GLU A 71 -10.869 -1.123 -6.452 1.00 0.00 C ATOM 1151 O GLU A 71 -11.322 -0.734 -5.376 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.604 -2.129 -7.949 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.896 -1.761 -8.660 1.00 0.00 C ATOM 1154 CD GLU A 71 -15.117 -2.384 -8.012 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -15.477 -3.517 -8.392 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -15.711 -1.738 -7.124 1.00 0.00 O ATOM 0 H GLU A 71 -10.666 -1.652 -9.448 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.249 -0.029 -7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.089 -2.898 -8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.844 -2.564 -6.979 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.006 -0.677 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.838 -2.082 -9.700 1.00 0.00 H new ATOM 1163 N ALA A 72 -9.683 -1.712 -6.566 1.00 0.00 N ATOM 1164 CA ALA A 72 -8.830 -1.939 -5.406 1.00 0.00 C ATOM 1165 C ALA A 72 -8.463 -0.622 -4.734 1.00 0.00 C ATOM 1166 O ALA A 72 -8.253 -0.568 -3.522 1.00 0.00 O ATOM 1167 CB ALA A 72 -7.574 -2.694 -5.814 1.00 0.00 C ATOM 0 H ALA A 72 -9.292 -2.040 -7.449 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.385 -2.543 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.946 -2.856 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.852 -3.656 -6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.023 -2.111 -6.552 1.00 0.00 H new ATOM 1173 N GLY A 73 -8.385 0.441 -5.529 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.043 1.746 -4.994 1.00 0.00 C ATOM 1175 C GLY A 73 -9.263 2.535 -4.563 1.00 0.00 C ATOM 1176 O GLY A 73 -9.195 3.332 -3.627 1.00 0.00 O ATOM 0 H GLY A 73 -8.553 0.421 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.375 1.622 -4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.496 2.312 -5.748 1.00 0.00 H new ATOM 1180 N ALA A 74 -10.381 2.317 -5.246 1.00 0.00 N ATOM 1181 CA ALA A 74 -11.619 3.016 -4.926 1.00 0.00 C ATOM 1182 C ALA A 74 -12.797 2.050 -4.875 1.00 0.00 C ATOM 1183 O ALA A 74 -13.805 2.242 -5.555 1.00 0.00 O ATOM 1184 CB ALA A 74 -11.879 4.116 -5.941 1.00 0.00 C ATOM 0 H ALA A 74 -10.455 1.662 -6.024 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.510 3.466 -3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.807 4.630 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.054 4.828 -5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.963 3.680 -6.936 1.00 0.00 H new ATOM 1190 N LYS A 75 -12.659 1.009 -4.064 1.00 0.00 N ATOM 1191 CA LYS A 75 -13.708 0.007 -3.922 1.00 0.00 C ATOM 1192 C LYS A 75 -14.922 0.585 -3.202 1.00 0.00 C ATOM 1193 O LYS A 75 -15.017 1.794 -2.997 1.00 0.00 O ATOM 1194 CB LYS A 75 -13.178 -1.211 -3.162 1.00 0.00 C ATOM 1195 CG LYS A 75 -13.594 -2.538 -3.778 1.00 0.00 C ATOM 1196 CD LYS A 75 -14.158 -3.488 -2.733 1.00 0.00 C ATOM 1197 CE LYS A 75 -14.281 -4.903 -3.275 1.00 0.00 C ATOM 1198 NZ LYS A 75 -15.572 -5.536 -2.887 1.00 0.00 N ATOM 0 H LYS A 75 -11.831 0.836 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.017 -0.303 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.090 -1.162 -3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.533 -1.170 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.341 -2.362 -4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.734 -3.000 -4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.513 -3.489 -1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.137 -3.135 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.198 -4.884 -4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.454 -5.508 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.617 -6.500 -3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.640 -5.578 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.361 -4.974 -3.264 1.00 0.00 H new ATOM 1212 N ILE A 76 -15.849 -0.290 -2.822 1.00 0.00 N ATOM 1213 CA ILE A 76 -17.058 0.133 -2.127 1.00 0.00 C ATOM 1214 C ILE A 76 -16.818 0.255 -0.625 1.00 0.00 C ATOM 1215 O ILE A 76 -16.946 1.337 -0.052 1.00 0.00 O ATOM 1216 CB ILE A 76 -18.219 -0.850 -2.370 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -18.366 -1.146 -3.865 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -19.515 -0.287 -1.805 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -18.458 -2.623 -4.184 1.00 0.00 C ATOM 0 H ILE A 76 -15.785 -1.295 -2.984 1.00 0.00 H new ATOM 0 HA ILE A 76 -17.327 1.110 -2.530 1.00 0.00 H new ATOM 0 HB ILE A 76 -17.996 -1.785 -1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -19.259 -0.646 -4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -17.515 -0.720 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -20.327 -0.992 -1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -19.405 -0.125 -0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -19.743 0.660 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -18.561 -2.757 -5.261 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -17.554 -3.126 -3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -19.325 -3.051 -3.681 1.00 0.00 H new ATOM 1231 N ASN A 77 -16.470 -0.862 0.006 1.00 0.00 N ATOM 1232 CA ASN A 77 -16.215 -0.880 1.442 1.00 0.00 C ATOM 1233 C ASN A 77 -14.720 -0.989 1.732 1.00 0.00 C ATOM 1234 O ASN A 77 -14.252 -0.562 2.787 1.00 0.00 O ATOM 1235 CB ASN A 77 -16.960 -2.043 2.099 1.00 0.00 C ATOM 1236 CG ASN A 77 -18.433 -2.063 1.739 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -18.829 -2.644 0.729 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -19.253 -1.427 2.567 1.00 0.00 N ATOM 0 H ASN A 77 -16.358 -1.766 -0.454 1.00 0.00 H new ATOM 0 HA ASN A 77 -16.578 0.059 1.860 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.501 -2.984 1.794 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -16.854 -1.973 3.182 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -20.255 -1.407 2.377 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -18.881 -0.958 3.393 1.00 0.00 H new ATOM 1245 N HIS A 78 -13.975 -1.564 0.792 1.00 0.00 N ATOM 1246 CA HIS A 78 -12.533 -1.728 0.951 1.00 0.00 C ATOM 1247 C HIS A 78 -12.216 -2.667 2.110 1.00 0.00 C ATOM 1248 O HIS A 78 -13.119 -3.221 2.735 1.00 0.00 O ATOM 1249 CB HIS A 78 -11.865 -0.370 1.180 1.00 0.00 C ATOM 1250 CG HIS A 78 -10.510 -0.256 0.553 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -9.432 0.322 1.190 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -10.060 -0.651 -0.662 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -8.378 0.279 0.394 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -8.732 -0.307 -0.735 1.00 0.00 N ATOM 0 H HIS A 78 -14.346 -1.924 -0.087 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.140 -2.167 0.034 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.508 0.414 0.781 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -11.776 -0.194 2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -10.637 -1.144 -1.430 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.394 0.659 0.627 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.119 -0.477 -1.532 1.00 0.00 H new ATOM 1263 N THR A 79 -10.925 -2.840 2.389 1.00 0.00 N ATOM 1264 CA THR A 79 -10.470 -3.712 3.473 1.00 0.00 C ATOM 1265 C THR A 79 -11.247 -5.027 3.496 1.00 0.00 C ATOM 1266 O THR A 79 -12.306 -5.124 4.116 1.00 0.00 O ATOM 1267 CB THR A 79 -10.597 -3.001 4.824 1.00 0.00 C ATOM 1268 OG1 THR A 79 -10.354 -3.905 5.888 1.00 0.00 O ATOM 1269 CG2 THR A 79 -11.954 -2.375 5.055 1.00 0.00 C ATOM 0 H THR A 79 -10.170 -2.385 1.876 1.00 0.00 H new ATOM 0 HA THR A 79 -9.420 -3.943 3.291 1.00 0.00 H new ATOM 0 HB THR A 79 -9.853 -2.205 4.799 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.438 -3.434 6.743 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.970 -1.890 6.031 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.150 -1.635 4.279 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.722 -3.148 5.022 1.00 0.00 H new ATOM 1277 N THR A 80 -10.712 -6.035 2.816 1.00 0.00 N ATOM 1278 CA THR A 80 -11.350 -7.346 2.758 1.00 0.00 C ATOM 1279 C THR A 80 -10.409 -8.426 3.280 1.00 0.00 C ATOM 1280 O THR A 80 -10.750 -9.161 4.207 1.00 0.00 O ATOM 1281 CB THR A 80 -11.787 -7.669 1.322 1.00 0.00 C ATOM 1282 OG1 THR A 80 -11.935 -9.067 1.144 1.00 0.00 O ATOM 1283 CG2 THR A 80 -10.820 -7.174 0.267 1.00 0.00 C ATOM 0 H THR A 80 -9.837 -5.970 2.296 1.00 0.00 H new ATOM 0 HA THR A 80 -12.235 -7.323 3.394 1.00 0.00 H new ATOM 0 HB THR A 80 -12.736 -7.148 1.191 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.859 -9.268 0.886 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.194 -7.438 -0.722 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.724 -6.091 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.845 -7.636 0.421 1.00 0.00 H new ATOM 1291 N LEU A 81 -9.225 -8.515 2.677 1.00 0.00 N ATOM 1292 CA LEU A 81 -8.211 -9.497 3.069 1.00 0.00 C ATOM 1293 C LEU A 81 -8.602 -10.917 2.658 1.00 0.00 C ATOM 1294 O LEU A 81 -7.766 -11.680 2.176 1.00 0.00 O ATOM 1295 CB LEU A 81 -7.948 -9.440 4.579 1.00 0.00 C ATOM 1296 CG LEU A 81 -6.832 -8.483 5.001 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -6.619 -8.541 6.507 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -5.541 -8.813 4.266 1.00 0.00 C ATOM 0 H LEU A 81 -8.940 -7.912 1.905 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.294 -9.236 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.869 -9.146 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.699 -10.442 4.928 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.130 -7.469 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.821 -7.854 6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.540 -8.256 7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.343 -9.555 6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.758 -8.122 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.239 -9.834 4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.700 -8.720 3.192 1.00 0.00 H new ATOM 1310 N LYS A 82 -9.869 -11.274 2.855 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.350 -12.608 2.506 1.00 0.00 C ATOM 1312 C LYS A 82 -10.039 -12.948 1.051 1.00 0.00 C ATOM 1313 O LYS A 82 -9.582 -14.051 0.749 1.00 0.00 O ATOM 1314 CB LYS A 82 -11.855 -12.719 2.761 1.00 0.00 C ATOM 1315 CG LYS A 82 -12.663 -11.573 2.173 1.00 0.00 C ATOM 1316 CD LYS A 82 -14.156 -11.781 2.375 1.00 0.00 C ATOM 1317 CE LYS A 82 -14.535 -11.716 3.846 1.00 0.00 C ATOM 1318 NZ LYS A 82 -14.398 -10.339 4.397 1.00 0.00 N ATOM 0 H LYS A 82 -10.579 -10.660 3.253 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.828 -13.324 3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.217 -13.658 2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.030 -12.760 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.359 -10.636 2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.448 -11.484 1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.708 -11.021 1.822 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.448 -12.748 1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.563 -12.056 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.903 -12.398 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.838 -10.296 5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.390 -10.095 4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.870 -9.663 3.763 1.00 0.00 H new ATOM 1332 N ILE A 83 -10.283 -11.999 0.154 1.00 0.00 N ATOM 1333 CA ILE A 83 -10.018 -12.214 -1.263 1.00 0.00 C ATOM 1334 C ILE A 83 -8.539 -12.485 -1.496 1.00 0.00 C ATOM 1335 O ILE A 83 -8.171 -13.279 -2.361 1.00 0.00 O ATOM 1336 CB ILE A 83 -10.453 -11.006 -2.116 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -9.963 -9.703 -1.484 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -11.965 -10.987 -2.277 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -10.007 -8.518 -2.425 1.00 0.00 C ATOM 0 H ILE A 83 -10.661 -11.079 0.381 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.603 -13.081 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 83 -10.003 -11.099 -3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.572 -9.483 -0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -8.940 -9.841 -1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.256 -10.128 -2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.290 -11.904 -2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.435 -10.916 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.645 -7.629 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.375 -8.717 -3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -11.033 -8.353 -2.755 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.694 -11.827 -0.709 1.00 0.00 N ATOM 1352 CA LEU A 84 -6.255 -12.008 -0.822 1.00 0.00 C ATOM 1353 C LEU A 84 -5.868 -13.426 -0.424 1.00 0.00 C ATOM 1354 O LEU A 84 -4.944 -14.010 -0.986 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.518 -10.991 0.056 1.00 0.00 C ATOM 1356 CG LEU A 84 -4.292 -10.345 -0.591 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -4.712 -9.226 -1.531 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -3.343 -9.820 0.476 1.00 0.00 C ATOM 0 H LEU A 84 -7.982 -11.165 0.012 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.966 -11.845 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.217 -10.204 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.206 -11.486 0.975 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.769 -11.103 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.827 -8.778 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.353 -9.630 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.258 -8.466 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.476 -9.363 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.856 -9.076 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.016 -10.644 1.110 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.590 -13.978 0.546 1.00 0.00 N ATOM 1371 CA GLU A 85 -6.329 -15.334 1.009 1.00 0.00 C ATOM 1372 C GLU A 85 -6.697 -16.348 -0.071 1.00 0.00 C ATOM 1373 O GLU A 85 -6.176 -17.463 -0.093 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.114 -15.619 2.291 1.00 0.00 C ATOM 1375 CG GLU A 85 -6.246 -15.653 3.540 1.00 0.00 C ATOM 1376 CD GLU A 85 -6.611 -14.567 4.533 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -7.559 -14.775 5.319 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -5.947 -13.508 4.526 1.00 0.00 O ATOM 0 H GLU A 85 -7.358 -13.508 1.025 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.264 -15.426 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.883 -14.856 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.627 -16.575 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.344 -16.627 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.200 -15.542 3.254 1.00 0.00 H new ATOM 1385 N GLY A 86 -7.600 -15.953 -0.967 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.021 -16.839 -2.034 1.00 0.00 C ATOM 1387 C GLY A 86 -7.033 -16.880 -3.185 1.00 0.00 C ATOM 1388 O GLY A 86 -6.892 -17.907 -3.850 1.00 0.00 O ATOM 0 H GLY A 86 -8.046 -15.035 -0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.150 -17.845 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.993 -16.516 -2.406 1.00 0.00 H new ATOM 1392 N HIS A 87 -6.350 -15.764 -3.429 1.00 0.00 N ATOM 1393 CA HIS A 87 -5.377 -15.691 -4.515 1.00 0.00 C ATOM 1394 C HIS A 87 -4.061 -15.078 -4.042 1.00 0.00 C ATOM 1395 O HIS A 87 -3.389 -14.372 -4.794 1.00 0.00 O ATOM 1396 CB HIS A 87 -5.944 -14.880 -5.683 1.00 0.00 C ATOM 1397 CG HIS A 87 -6.091 -13.418 -5.390 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -7.168 -12.889 -4.712 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -5.286 -12.370 -5.689 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -7.021 -11.580 -4.607 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -5.887 -11.240 -5.191 1.00 0.00 N ATOM 0 H HIS A 87 -6.452 -14.902 -2.892 1.00 0.00 H new ATOM 0 HA HIS A 87 -5.175 -16.708 -4.851 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.293 -15.004 -6.549 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.918 -15.286 -5.956 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -7.956 -13.425 -4.348 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.347 -12.415 -6.220 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -7.711 -10.903 -4.125 1.00 0.00 H new ATOM 1410 N LEU A 88 -3.696 -15.355 -2.795 1.00 0.00 N ATOM 1411 CA LEU A 88 -2.458 -14.831 -2.228 1.00 0.00 C ATOM 1412 C LEU A 88 -2.154 -15.484 -0.884 1.00 0.00 C ATOM 1413 O LEU A 88 -1.400 -16.480 -0.868 1.00 0.00 O ATOM 1414 CB LEU A 88 -2.546 -13.312 -2.064 1.00 0.00 C ATOM 1415 CG LEU A 88 -1.244 -12.553 -2.344 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -1.429 -11.577 -3.496 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -0.772 -11.821 -1.096 1.00 0.00 C ATOM 1418 OXT LEU A 88 -2.673 -14.994 0.142 1.00 0.00 O ATOM 0 H LEU A 88 -4.239 -15.938 -2.158 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.647 -15.067 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.320 -12.934 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.867 -13.090 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.481 -13.278 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.493 -11.048 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.718 -12.124 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.208 -10.858 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.153 -11.288 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.535 -11.109 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.596 -12.541 -0.297 1.00 0.00 H new