USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 566 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 7 THR OG1 : rot -166:sc= 0.773 USER MOD Set 1.2: A 9 THR OG1 : rot 14:sc= 0.625 USER MOD Single : A 2 GLN : amide:sc= -0.0056 K(o=-0.0056,f=-0.87) USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= -0.0898 (180deg=-0.59) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 50:sc= -0.773 USER MOD Single : A 22 THR OG1 : rot 97:sc= -2.89! USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -4.46! (180deg=-5.32!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= -0.114 (180deg=-0.267) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0835 X(o=-0.083,f=-0.31) USER MOD Single : A 41 GLN : amide:sc= -2.93 K(o=-2.9,f=-3.9) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.0151 (180deg=-0.186) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.838) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 56 MET CE :methyl -154:sc= -0.0114 (180deg=-0.379) USER MOD Single : A 59 TYR OH : rot -130:sc= -0.988 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0207 K(o=-0.021,f=-0.65) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -60:sc= -1.59 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.0337 F(o=-0.87,f=-0.034) USER MOD Single : A 69 MET CE :methyl -174:sc= -1.22 (180deg=-1.27) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 2.279 -2.562 -1.376 1.00 72.31 N ATOM 19 CA GLN A 2 2.912 -3.869 -1.507 1.00 33.31 C ATOM 20 C GLN A 2 2.643 -4.469 -2.883 1.00 44.23 C ATOM 21 O GLN A 2 1.604 -4.211 -3.491 1.00 32.40 O ATOM 22 CB GLN A 2 2.405 -4.816 -0.418 1.00 31.15 C ATOM 23 CG GLN A 2 0.920 -5.125 -0.522 1.00 41.41 C ATOM 24 CD GLN A 2 0.410 -5.942 0.648 1.00 20.12 C ATOM 25 OE1 GLN A 2 0.940 -5.859 1.757 1.00 50.35 O ATOM 26 NE2 GLN A 2 -0.625 -6.739 0.408 1.00 42.22 N ATOM 0 HA GLN A 2 3.988 -3.736 -1.392 1.00 33.31 H new ATOM 0 HB2 GLN A 2 2.966 -5.749 -0.470 1.00 31.15 H new ATOM 0 HB3 GLN A 2 2.608 -4.376 0.558 1.00 31.15 H new ATOM 0 HG2 GLN A 2 0.362 -4.191 -0.578 1.00 41.41 H new ATOM 0 HG3 GLN A 2 0.730 -5.667 -1.449 1.00 41.41 H new ATOM 0 HE21 GLN A 2 -1.034 -6.777 -0.526 1.00 42.22 H new ATOM 0 HE22 GLN A 2 -1.011 -7.313 1.157 1.00 42.22 H new ATOM 35 N ILE A 3 3.587 -5.268 -3.369 1.00 71.40 N ATOM 36 CA ILE A 3 3.451 -5.905 -4.673 1.00 42.34 C ATOM 37 C ILE A 3 3.291 -7.415 -4.534 1.00 42.25 C ATOM 38 O ILE A 3 3.467 -7.971 -3.450 1.00 61.45 O ATOM 39 CB ILE A 3 4.666 -5.609 -5.573 1.00 72.10 C ATOM 40 CG1 ILE A 3 5.938 -6.197 -4.959 1.00 0.32 C ATOM 41 CG2 ILE A 3 4.817 -4.110 -5.784 1.00 15.13 C ATOM 42 CD1 ILE A 3 7.153 -6.073 -5.852 1.00 32.24 C ATOM 0 H ILE A 3 4.454 -5.490 -2.879 1.00 71.40 H new ATOM 0 HA ILE A 3 2.556 -5.489 -5.136 1.00 42.34 H new ATOM 0 HB ILE A 3 4.503 -6.078 -6.544 1.00 72.10 H new ATOM 0 HG12 ILE A 3 6.140 -5.696 -4.012 1.00 0.32 H new ATOM 0 HG13 ILE A 3 5.769 -7.250 -4.733 1.00 0.32 H new ATOM 0 HG21 ILE A 3 5.680 -3.917 -6.422 1.00 15.13 H new ATOM 0 HG22 ILE A 3 3.919 -3.717 -6.260 1.00 15.13 H new ATOM 0 HG23 ILE A 3 4.961 -3.620 -4.821 1.00 15.13 H new ATOM 0 HD11 ILE A 3 8.018 -6.511 -5.353 1.00 32.24 H new ATOM 0 HD12 ILE A 3 6.971 -6.599 -6.789 1.00 32.24 H new ATOM 0 HD13 ILE A 3 7.347 -5.020 -6.058 1.00 32.24 H new ATOM 54 N PHE A 4 2.958 -8.073 -5.640 1.00 22.12 N ATOM 55 CA PHE A 4 2.775 -9.520 -5.642 1.00 43.11 C ATOM 56 C PHE A 4 3.855 -10.203 -6.476 1.00 24.35 C ATOM 57 O PHE A 4 4.079 -9.848 -7.633 1.00 53.21 O ATOM 58 CB PHE A 4 1.391 -9.879 -6.187 1.00 23.44 C ATOM 59 CG PHE A 4 0.299 -9.783 -5.160 1.00 5.04 C ATOM 60 CD1 PHE A 4 0.104 -8.612 -4.445 1.00 32.30 C ATOM 61 CD2 PHE A 4 -0.531 -10.864 -4.909 1.00 2.55 C ATOM 62 CE1 PHE A 4 -0.900 -8.520 -3.499 1.00 73.14 C ATOM 63 CE2 PHE A 4 -1.537 -10.777 -3.965 1.00 23.14 C ATOM 64 CZ PHE A 4 -1.721 -9.604 -3.258 1.00 62.44 C ATOM 0 H PHE A 4 2.810 -7.628 -6.546 1.00 22.12 H new ATOM 0 HA PHE A 4 2.856 -9.873 -4.614 1.00 43.11 H new ATOM 0 HB2 PHE A 4 1.154 -9.217 -7.020 1.00 23.44 H new ATOM 0 HB3 PHE A 4 1.418 -10.894 -6.584 1.00 23.44 H new ATOM 0 HD1 PHE A 4 0.744 -7.761 -4.629 1.00 32.30 H new ATOM 0 HD2 PHE A 4 -0.390 -11.784 -5.457 1.00 2.55 H new ATOM 0 HE1 PHE A 4 -1.042 -7.601 -2.949 1.00 73.14 H new ATOM 0 HE2 PHE A 4 -2.179 -11.626 -3.780 1.00 23.14 H new ATOM 0 HZ PHE A 4 -2.505 -9.535 -2.519 1.00 62.44 H new ATOM 74 N ILE A 5 4.522 -11.185 -5.878 1.00 63.12 N ATOM 75 CA ILE A 5 5.578 -11.919 -6.565 1.00 3.42 C ATOM 76 C ILE A 5 5.254 -13.407 -6.640 1.00 43.33 C ATOM 77 O ILE A 5 4.767 -13.997 -5.676 1.00 24.40 O ATOM 78 CB ILE A 5 6.938 -11.735 -5.865 1.00 32.53 C ATOM 79 CG1 ILE A 5 7.319 -10.254 -5.822 1.00 72.21 C ATOM 80 CG2 ILE A 5 8.013 -12.544 -6.575 1.00 73.33 C ATOM 81 CD1 ILE A 5 6.929 -9.567 -4.532 1.00 43.12 C ATOM 0 H ILE A 5 4.350 -11.490 -4.920 1.00 63.12 H new ATOM 0 HA ILE A 5 5.640 -11.512 -7.574 1.00 3.42 H new ATOM 0 HB ILE A 5 6.854 -12.098 -4.841 1.00 32.53 H new ATOM 0 HG12 ILE A 5 8.396 -10.160 -5.963 1.00 72.21 H new ATOM 0 HG13 ILE A 5 6.842 -9.740 -6.657 1.00 72.21 H new ATOM 0 HG21 ILE A 5 8.968 -12.404 -6.069 1.00 73.33 H new ATOM 0 HG22 ILE A 5 7.745 -13.600 -6.557 1.00 73.33 H new ATOM 0 HG23 ILE A 5 8.098 -12.209 -7.609 1.00 73.33 H new ATOM 0 HD11 ILE A 5 7.230 -8.520 -4.572 1.00 43.12 H new ATOM 0 HD12 ILE A 5 5.849 -9.629 -4.399 1.00 43.12 H new ATOM 0 HD13 ILE A 5 7.427 -10.056 -3.695 1.00 43.12 H new ATOM 93 N LYS A 6 5.529 -14.009 -7.792 1.00 44.24 N ATOM 94 CA LYS A 6 5.271 -15.429 -7.995 1.00 31.43 C ATOM 95 C LYS A 6 6.546 -16.163 -8.397 1.00 5.31 C ATOM 96 O LYS A 6 7.172 -15.835 -9.406 1.00 30.11 O ATOM 97 CB LYS A 6 4.197 -15.626 -9.067 1.00 42.34 C ATOM 98 CG LYS A 6 3.833 -17.081 -9.304 1.00 61.24 C ATOM 99 CD LYS A 6 3.365 -17.314 -10.731 1.00 42.32 C ATOM 100 CE LYS A 6 2.746 -18.693 -10.897 1.00 22.21 C ATOM 101 NZ LYS A 6 1.547 -18.870 -10.032 1.00 72.43 N ATOM 0 H LYS A 6 5.931 -13.534 -8.600 1.00 44.24 H new ATOM 0 HA LYS A 6 4.915 -15.845 -7.052 1.00 31.43 H new ATOM 0 HB2 LYS A 6 3.300 -15.079 -8.776 1.00 42.34 H new ATOM 0 HB3 LYS A 6 4.546 -15.191 -10.003 1.00 42.34 H new ATOM 0 HG2 LYS A 6 4.697 -17.712 -9.096 1.00 61.24 H new ATOM 0 HG3 LYS A 6 3.047 -17.378 -8.609 1.00 61.24 H new ATOM 0 HD2 LYS A 6 2.636 -16.552 -11.005 1.00 42.32 H new ATOM 0 HD3 LYS A 6 4.208 -17.208 -11.413 1.00 42.32 H new ATOM 0 HE2 LYS A 6 2.467 -18.843 -11.940 1.00 22.21 H new ATOM 0 HE3 LYS A 6 3.486 -19.455 -10.653 1.00 22.21 H new ATOM 0 HZ1 LYS A 6 0.949 -19.628 -10.419 1.00 72.43 H new ATOM 0 HZ2 LYS A 6 1.848 -19.124 -9.069 1.00 72.43 H new ATOM 0 HZ3 LYS A 6 1.006 -17.982 -10.003 1.00 72.43 H new ATOM 115 N THR A 7 6.927 -17.158 -7.602 1.00 62.32 N ATOM 116 CA THR A 7 8.128 -17.938 -7.876 1.00 34.14 C ATOM 117 C THR A 7 7.846 -19.045 -8.885 1.00 60.20 C ATOM 118 O THR A 7 6.737 -19.154 -9.409 1.00 53.03 O ATOM 119 CB THR A 7 8.696 -18.565 -6.588 1.00 74.04 C ATOM 120 OG1 THR A 7 7.854 -19.639 -6.154 1.00 63.31 O ATOM 121 CG2 THR A 7 8.809 -17.525 -5.484 1.00 40.32 C ATOM 0 H THR A 7 6.421 -17.443 -6.763 1.00 62.32 H new ATOM 0 HA THR A 7 8.864 -17.250 -8.292 1.00 34.14 H new ATOM 0 HB THR A 7 9.692 -18.950 -6.806 1.00 74.04 H new ATOM 0 HG1 THR A 7 8.086 -19.886 -5.234 1.00 63.31 H new ATOM 0 HG21 THR A 7 9.212 -17.991 -4.585 1.00 40.32 H new ATOM 0 HG22 THR A 7 9.473 -16.723 -5.806 1.00 40.32 H new ATOM 0 HG23 THR A 7 7.823 -17.114 -5.269 1.00 40.32 H new ATOM 129 N LEU A 8 8.856 -19.866 -9.153 1.00 52.53 N ATOM 130 CA LEU A 8 8.716 -20.966 -10.100 1.00 65.34 C ATOM 131 C LEU A 8 7.786 -22.043 -9.551 1.00 54.42 C ATOM 132 O LEU A 8 7.144 -22.771 -10.310 1.00 1.35 O ATOM 133 CB LEU A 8 10.086 -21.572 -10.414 1.00 52.31 C ATOM 134 CG LEU A 8 10.094 -22.734 -11.408 1.00 2.13 C ATOM 135 CD1 LEU A 8 10.161 -22.215 -12.836 1.00 3.24 C ATOM 136 CD2 LEU A 8 11.259 -23.670 -11.123 1.00 65.33 C ATOM 0 H LEU A 8 9.780 -19.790 -8.728 1.00 52.53 H new ATOM 0 HA LEU A 8 8.281 -20.569 -11.017 1.00 65.34 H new ATOM 0 HB2 LEU A 8 10.730 -20.783 -10.803 1.00 52.31 H new ATOM 0 HB3 LEU A 8 10.532 -21.916 -9.480 1.00 52.31 H new ATOM 0 HG LEU A 8 9.166 -23.294 -11.291 1.00 2.13 H new ATOM 0 HD11 LEU A 8 10.166 -23.056 -13.529 1.00 3.24 H new ATOM 0 HD12 LEU A 8 9.294 -21.586 -13.035 1.00 3.24 H new ATOM 0 HD13 LEU A 8 11.072 -21.631 -12.968 1.00 3.24 H new ATOM 0 HD21 LEU A 8 11.250 -24.491 -11.840 1.00 65.33 H new ATOM 0 HD22 LEU A 8 12.197 -23.121 -11.212 1.00 65.33 H new ATOM 0 HD23 LEU A 8 11.167 -24.069 -10.113 1.00 65.33 H new ATOM 148 N THR A 9 7.715 -22.137 -8.227 1.00 33.10 N ATOM 149 CA THR A 9 6.862 -23.123 -7.576 1.00 33.23 C ATOM 150 C THR A 9 5.416 -22.643 -7.512 1.00 23.33 C ATOM 151 O THR A 9 4.515 -23.403 -7.159 1.00 11.40 O ATOM 152 CB THR A 9 7.351 -23.434 -6.149 1.00 21.33 C ATOM 153 OG1 THR A 9 7.725 -22.222 -5.484 1.00 30.41 O ATOM 154 CG2 THR A 9 8.536 -24.388 -6.179 1.00 34.42 C ATOM 0 H THR A 9 8.238 -21.542 -7.585 1.00 33.10 H new ATOM 0 HA THR A 9 6.914 -24.031 -8.176 1.00 33.23 H new ATOM 0 HB THR A 9 6.535 -23.910 -5.605 1.00 21.33 H new ATOM 0 HG1 THR A 9 7.382 -21.454 -5.987 1.00 30.41 H new ATOM 0 HG21 THR A 9 8.864 -24.593 -5.160 1.00 34.42 H new ATOM 0 HG22 THR A 9 8.240 -25.321 -6.660 1.00 34.42 H new ATOM 0 HG23 THR A 9 9.354 -23.935 -6.739 1.00 34.42 H new ATOM 162 N GLY A 10 5.202 -21.377 -7.856 1.00 0.10 N ATOM 163 CA GLY A 10 3.863 -20.818 -7.831 1.00 41.22 C ATOM 164 C GLY A 10 3.490 -20.267 -6.469 1.00 51.02 C ATOM 165 O GLY A 10 2.309 -20.139 -6.145 1.00 22.34 O ATOM 0 H GLY A 10 5.932 -20.729 -8.152 1.00 0.10 H new ATOM 0 HA2 GLY A 10 3.791 -20.023 -8.573 1.00 41.22 H new ATOM 0 HA3 GLY A 10 3.146 -21.588 -8.117 1.00 41.22 H new ATOM 169 N LYS A 11 4.499 -19.941 -5.668 1.00 54.21 N ATOM 170 CA LYS A 11 4.272 -19.401 -4.333 1.00 11.13 C ATOM 171 C LYS A 11 4.020 -17.898 -4.389 1.00 41.41 C ATOM 172 O LYS A 11 4.579 -17.195 -5.232 1.00 1.42 O ATOM 173 CB LYS A 11 5.473 -19.694 -3.431 1.00 63.11 C ATOM 174 CG LYS A 11 5.148 -19.642 -1.948 1.00 50.14 C ATOM 175 CD LYS A 11 4.438 -20.904 -1.489 1.00 15.14 C ATOM 176 CE LYS A 11 4.202 -20.895 0.014 1.00 12.20 C ATOM 177 NZ LYS A 11 5.443 -21.216 0.772 1.00 12.41 N ATOM 0 H LYS A 11 5.482 -20.041 -5.921 1.00 54.21 H new ATOM 0 HA LYS A 11 3.387 -19.885 -3.919 1.00 11.13 H new ATOM 0 HB2 LYS A 11 5.866 -20.681 -3.674 1.00 63.11 H new ATOM 0 HB3 LYS A 11 6.263 -18.974 -3.647 1.00 63.11 H new ATOM 0 HG2 LYS A 11 6.068 -19.513 -1.377 1.00 50.14 H new ATOM 0 HG3 LYS A 11 4.520 -18.775 -1.742 1.00 50.14 H new ATOM 0 HD2 LYS A 11 3.484 -20.995 -2.008 1.00 15.14 H new ATOM 0 HD3 LYS A 11 5.033 -21.776 -1.760 1.00 15.14 H new ATOM 0 HE2 LYS A 11 3.834 -19.915 0.318 1.00 12.20 H new ATOM 0 HE3 LYS A 11 3.426 -21.619 0.264 1.00 12.20 H new ATOM 0 HZ1 LYS A 11 5.241 -21.200 1.792 1.00 12.41 H new ATOM 0 HZ2 LYS A 11 5.781 -22.162 0.501 1.00 12.41 H new ATOM 0 HZ3 LYS A 11 6.176 -20.511 0.553 1.00 12.41 H new ATOM 191 N THR A 12 3.176 -17.409 -3.486 1.00 31.14 N ATOM 192 CA THR A 12 2.851 -15.989 -3.433 1.00 34.45 C ATOM 193 C THR A 12 3.709 -15.267 -2.400 1.00 53.02 C ATOM 194 O THR A 12 3.856 -15.730 -1.269 1.00 24.02 O ATOM 195 CB THR A 12 1.364 -15.766 -3.095 1.00 4.10 C ATOM 196 OG1 THR A 12 0.538 -16.429 -4.058 1.00 42.25 O ATOM 197 CG2 THR A 12 1.032 -14.282 -3.070 1.00 44.43 C ATOM 0 H THR A 12 2.705 -17.976 -2.781 1.00 31.14 H new ATOM 0 HA THR A 12 3.057 -15.580 -4.422 1.00 34.45 H new ATOM 0 HB THR A 12 1.172 -16.182 -2.106 1.00 4.10 H new ATOM 0 HG1 THR A 12 -0.405 -16.284 -3.835 1.00 42.25 H new ATOM 0 HG21 THR A 12 -0.023 -14.149 -2.829 1.00 44.43 H new ATOM 0 HG22 THR A 12 1.642 -13.785 -2.315 1.00 44.43 H new ATOM 0 HG23 THR A 12 1.239 -13.846 -4.048 1.00 44.43 H new ATOM 205 N ILE A 13 4.271 -14.131 -2.797 1.00 5.54 N ATOM 206 CA ILE A 13 5.113 -13.344 -1.904 1.00 44.41 C ATOM 207 C ILE A 13 4.810 -11.855 -2.033 1.00 12.23 C ATOM 208 O ILE A 13 4.945 -11.272 -3.109 1.00 74.44 O ATOM 209 CB ILE A 13 6.609 -13.578 -2.189 1.00 13.31 C ATOM 210 CG1 ILE A 13 6.924 -15.075 -2.178 1.00 2.24 C ATOM 211 CG2 ILE A 13 7.464 -12.843 -1.167 1.00 52.13 C ATOM 212 CD1 ILE A 13 8.376 -15.389 -2.464 1.00 10.42 C ATOM 0 H ILE A 13 4.159 -13.735 -3.730 1.00 5.54 H new ATOM 0 HA ILE A 13 4.889 -13.672 -0.889 1.00 44.41 H new ATOM 0 HB ILE A 13 6.842 -13.184 -3.178 1.00 13.31 H new ATOM 0 HG12 ILE A 13 6.656 -15.487 -1.205 1.00 2.24 H new ATOM 0 HG13 ILE A 13 6.300 -15.575 -2.919 1.00 2.24 H new ATOM 0 HG21 ILE A 13 8.518 -13.018 -1.381 1.00 52.13 H new ATOM 0 HG22 ILE A 13 7.255 -11.774 -1.219 1.00 52.13 H new ATOM 0 HG23 ILE A 13 7.231 -13.210 -0.167 1.00 52.13 H new ATOM 0 HD11 ILE A 13 8.526 -16.468 -2.440 1.00 10.42 H new ATOM 0 HD12 ILE A 13 8.644 -15.007 -3.449 1.00 10.42 H new ATOM 0 HD13 ILE A 13 9.006 -14.918 -1.709 1.00 10.42 H new ATOM 224 N THR A 14 4.400 -11.242 -0.926 1.00 64.01 N ATOM 225 CA THR A 14 4.078 -9.821 -0.914 1.00 43.30 C ATOM 226 C THR A 14 4.670 -9.133 0.311 1.00 34.44 C ATOM 227 O THR A 14 4.548 -9.628 1.431 1.00 30.25 O ATOM 228 CB THR A 14 2.555 -9.590 -0.933 1.00 45.43 C ATOM 229 OG1 THR A 14 1.997 -9.896 0.349 1.00 22.22 O ATOM 230 CG2 THR A 14 1.891 -10.448 -1.999 1.00 43.24 C ATOM 0 H THR A 14 4.283 -11.708 -0.026 1.00 64.01 H new ATOM 0 HA THR A 14 4.515 -9.390 -1.815 1.00 43.30 H new ATOM 0 HB THR A 14 2.372 -8.541 -1.167 1.00 45.43 H new ATOM 0 HG1 THR A 14 1.029 -9.745 0.329 1.00 22.22 H new ATOM 0 HG21 THR A 14 0.816 -10.268 -1.994 1.00 43.24 H new ATOM 0 HG22 THR A 14 2.297 -10.191 -2.978 1.00 43.24 H new ATOM 0 HG23 THR A 14 2.084 -11.500 -1.791 1.00 43.24 H new ATOM 238 N ALA A 15 5.310 -7.990 0.091 1.00 12.32 N ATOM 239 CA ALA A 15 5.918 -7.233 1.179 1.00 53.04 C ATOM 240 C ALA A 15 6.299 -5.828 0.724 1.00 61.32 C ATOM 241 O ALA A 15 6.754 -5.634 -0.403 1.00 4.33 O ATOM 242 CB ALA A 15 7.139 -7.966 1.714 1.00 74.31 C ATOM 0 H ALA A 15 5.421 -7.567 -0.831 1.00 12.32 H new ATOM 0 HA ALA A 15 5.184 -7.141 1.979 1.00 53.04 H new ATOM 0 HB1 ALA A 15 7.583 -7.389 2.526 1.00 74.31 H new ATOM 0 HB2 ALA A 15 6.841 -8.946 2.086 1.00 74.31 H new ATOM 0 HB3 ALA A 15 7.869 -8.088 0.914 1.00 74.31 H new ATOM 248 N GLU A 16 6.109 -4.853 1.607 1.00 24.22 N ATOM 249 CA GLU A 16 6.433 -3.466 1.294 1.00 32.21 C ATOM 250 C GLU A 16 7.941 -3.238 1.331 1.00 41.43 C ATOM 251 O GLU A 16 8.651 -3.825 2.148 1.00 33.11 O ATOM 252 CB GLU A 16 5.739 -2.523 2.279 1.00 51.33 C ATOM 253 CG GLU A 16 5.928 -1.052 1.948 1.00 1.34 C ATOM 254 CD GLU A 16 5.084 -0.605 0.770 1.00 25.12 C ATOM 255 OE1 GLU A 16 4.062 -1.265 0.489 1.00 23.52 O ATOM 256 OE2 GLU A 16 5.446 0.404 0.129 1.00 21.43 O ATOM 0 H GLU A 16 5.733 -4.998 2.544 1.00 24.22 H new ATOM 0 HA GLU A 16 6.076 -3.254 0.286 1.00 32.21 H new ATOM 0 HB2 GLU A 16 4.673 -2.749 2.296 1.00 51.33 H new ATOM 0 HB3 GLU A 16 6.121 -2.713 3.282 1.00 51.33 H new ATOM 0 HG2 GLU A 16 5.673 -0.451 2.821 1.00 1.34 H new ATOM 0 HG3 GLU A 16 6.979 -0.865 1.728 1.00 1.34 H new ATOM 263 N THR A 17 8.426 -2.380 0.438 1.00 14.52 N ATOM 264 CA THR A 17 9.849 -2.074 0.366 1.00 12.22 C ATOM 265 C THR A 17 10.081 -0.582 0.157 1.00 53.22 C ATOM 266 O THR A 17 9.221 0.120 -0.376 1.00 25.15 O ATOM 267 CB THR A 17 10.534 -2.853 -0.772 1.00 51.03 C ATOM 268 OG1 THR A 17 11.941 -2.586 -0.771 1.00 73.11 O ATOM 269 CG2 THR A 17 9.942 -2.473 -2.121 1.00 14.01 C ATOM 0 H THR A 17 7.853 -1.885 -0.246 1.00 14.52 H new ATOM 0 HA THR A 17 10.286 -2.377 1.318 1.00 12.22 H new ATOM 0 HB THR A 17 10.366 -3.917 -0.606 1.00 51.03 H new ATOM 0 HG1 THR A 17 12.297 -2.711 0.134 1.00 73.11 H new ATOM 0 HG21 THR A 17 10.442 -3.036 -2.909 1.00 14.01 H new ATOM 0 HG22 THR A 17 8.877 -2.704 -2.129 1.00 14.01 H new ATOM 0 HG23 THR A 17 10.083 -1.406 -2.292 1.00 14.01 H new ATOM 277 N GLU A 18 11.247 -0.104 0.579 1.00 44.15 N ATOM 278 CA GLU A 18 11.591 1.306 0.436 1.00 11.14 C ATOM 279 C GLU A 18 12.276 1.567 -0.902 1.00 54.02 C ATOM 280 O GLU A 18 12.797 0.658 -1.549 1.00 3.42 O ATOM 281 CB GLU A 18 12.502 1.750 1.583 1.00 71.02 C ATOM 282 CG GLU A 18 11.746 2.237 2.807 1.00 11.43 C ATOM 283 CD GLU A 18 12.553 2.101 4.084 1.00 40.22 C ATOM 284 OE1 GLU A 18 12.616 0.979 4.628 1.00 33.04 O ATOM 285 OE2 GLU A 18 13.121 3.116 4.538 1.00 24.11 O ATOM 0 H GLU A 18 11.969 -0.672 1.022 1.00 44.15 H new ATOM 0 HA GLU A 18 10.667 1.884 0.470 1.00 11.14 H new ATOM 0 HB2 GLU A 18 13.143 0.916 1.870 1.00 71.02 H new ATOM 0 HB3 GLU A 18 13.155 2.547 1.229 1.00 71.02 H new ATOM 0 HG2 GLU A 18 11.469 3.282 2.666 1.00 11.43 H new ATOM 0 HG3 GLU A 18 10.819 1.672 2.906 1.00 11.43 H new ATOM 292 N PRO A 19 12.274 2.839 -1.329 1.00 71.52 N ATOM 293 CA PRO A 19 12.890 3.250 -2.594 1.00 63.41 C ATOM 294 C PRO A 19 14.412 3.163 -2.553 1.00 21.44 C ATOM 295 O PRO A 19 15.051 2.824 -3.548 1.00 42.53 O ATOM 296 CB PRO A 19 12.442 4.705 -2.751 1.00 31.23 C ATOM 297 CG PRO A 19 12.180 5.172 -1.361 1.00 13.13 C ATOM 298 CD PRO A 19 11.671 3.973 -0.610 1.00 35.12 C ATOM 0 HA PRO A 19 12.591 2.606 -3.421 1.00 63.41 H new ATOM 0 HB2 PRO A 19 13.213 5.307 -3.232 1.00 31.23 H new ATOM 0 HB3 PRO A 19 11.547 4.779 -3.369 1.00 31.23 H new ATOM 0 HG2 PRO A 19 13.089 5.563 -0.903 1.00 13.13 H new ATOM 0 HG3 PRO A 19 11.447 5.978 -1.352 1.00 13.13 H new ATOM 0 HD2 PRO A 19 11.977 3.994 0.436 1.00 35.12 H new ATOM 0 HD3 PRO A 19 10.582 3.924 -0.622 1.00 35.12 H new ATOM 306 N ALA A 20 14.986 3.470 -1.394 1.00 23.40 N ATOM 307 CA ALA A 20 16.433 3.423 -1.223 1.00 1.44 C ATOM 308 C ALA A 20 16.956 1.997 -1.354 1.00 2.03 C ATOM 309 O ALA A 20 18.110 1.782 -1.722 1.00 23.50 O ATOM 310 CB ALA A 20 16.824 4.009 0.126 1.00 33.14 C ATOM 0 H ALA A 20 14.471 3.754 -0.560 1.00 23.40 H new ATOM 0 HA ALA A 20 16.887 4.022 -2.013 1.00 1.44 H new ATOM 0 HB1 ALA A 20 17.907 3.968 0.241 1.00 33.14 H new ATOM 0 HB2 ALA A 20 16.493 5.046 0.182 1.00 33.14 H new ATOM 0 HB3 ALA A 20 16.353 3.434 0.923 1.00 33.14 H new ATOM 316 N GLU A 21 16.100 1.027 -1.049 1.00 54.03 N ATOM 317 CA GLU A 21 16.478 -0.379 -1.132 1.00 53.22 C ATOM 318 C GLU A 21 15.306 -1.230 -1.613 1.00 51.11 C ATOM 319 O GLU A 21 14.820 -2.103 -0.893 1.00 63.00 O ATOM 320 CB GLU A 21 16.962 -0.881 0.230 1.00 52.13 C ATOM 321 CG GLU A 21 18.220 -0.186 0.723 1.00 53.43 C ATOM 322 CD GLU A 21 18.544 -0.521 2.165 1.00 3.04 C ATOM 323 OE1 GLU A 21 17.790 -1.307 2.775 1.00 35.43 O ATOM 324 OE2 GLU A 21 19.552 0.003 2.685 1.00 70.54 O ATOM 0 H GLU A 21 15.141 1.189 -0.742 1.00 54.03 H new ATOM 0 HA GLU A 21 17.290 -0.469 -1.854 1.00 53.22 H new ATOM 0 HB2 GLU A 21 16.168 -0.739 0.963 1.00 52.13 H new ATOM 0 HB3 GLU A 21 17.150 -1.953 0.167 1.00 52.13 H new ATOM 0 HG2 GLU A 21 19.060 -0.472 0.090 1.00 53.43 H new ATOM 0 HG3 GLU A 21 18.098 0.892 0.623 1.00 53.43 H new ATOM 331 N THR A 22 14.855 -0.969 -2.836 1.00 41.23 N ATOM 332 CA THR A 22 13.740 -1.708 -3.414 1.00 31.21 C ATOM 333 C THR A 22 14.172 -3.104 -3.847 1.00 75.45 C ATOM 334 O THR A 22 13.560 -4.102 -3.463 1.00 42.53 O ATOM 335 CB THR A 22 13.143 -0.968 -4.626 1.00 32.32 C ATOM 336 OG1 THR A 22 14.110 -0.066 -5.174 1.00 11.42 O ATOM 337 CG2 THR A 22 11.892 -0.199 -4.228 1.00 21.22 C ATOM 0 H THR A 22 15.246 -0.251 -3.446 1.00 41.23 H new ATOM 0 HA THR A 22 12.979 -1.790 -2.638 1.00 31.21 H new ATOM 0 HB THR A 22 12.871 -1.708 -5.378 1.00 32.32 H new ATOM 0 HG1 THR A 22 14.568 -0.495 -5.927 1.00 11.42 H new ATOM 0 HG21 THR A 22 11.488 0.315 -5.100 1.00 21.22 H new ATOM 0 HG22 THR A 22 11.147 -0.893 -3.839 1.00 21.22 H new ATOM 0 HG23 THR A 22 12.143 0.532 -3.460 1.00 21.22 H new ATOM 345 N VAL A 23 15.229 -3.169 -4.650 1.00 24.32 N ATOM 346 CA VAL A 23 15.744 -4.444 -5.134 1.00 63.44 C ATOM 347 C VAL A 23 16.530 -5.169 -4.047 1.00 40.31 C ATOM 348 O VAL A 23 16.345 -6.365 -3.826 1.00 63.12 O ATOM 349 CB VAL A 23 16.650 -4.253 -6.365 1.00 51.45 C ATOM 350 CG1 VAL A 23 17.242 -5.583 -6.805 1.00 50.24 C ATOM 351 CG2 VAL A 23 15.874 -3.603 -7.501 1.00 73.33 C ATOM 0 H VAL A 23 15.745 -2.353 -4.979 1.00 24.32 H new ATOM 0 HA VAL A 23 14.880 -5.046 -5.417 1.00 63.44 H new ATOM 0 HB VAL A 23 17.471 -3.591 -6.091 1.00 51.45 H new ATOM 0 HG11 VAL A 23 17.879 -5.427 -7.676 1.00 50.24 H new ATOM 0 HG12 VAL A 23 17.834 -6.004 -5.993 1.00 50.24 H new ATOM 0 HG13 VAL A 23 16.438 -6.272 -7.062 1.00 50.24 H new ATOM 0 HG21 VAL A 23 16.529 -3.475 -8.363 1.00 73.33 H new ATOM 0 HG22 VAL A 23 15.032 -4.238 -7.776 1.00 73.33 H new ATOM 0 HG23 VAL A 23 15.504 -2.629 -7.179 1.00 73.33 H new ATOM 361 N ALA A 24 17.407 -4.435 -3.370 1.00 43.12 N ATOM 362 CA ALA A 24 18.220 -5.007 -2.304 1.00 12.44 C ATOM 363 C ALA A 24 17.349 -5.699 -1.261 1.00 13.11 C ATOM 364 O ALA A 24 17.636 -6.821 -0.844 1.00 63.10 O ATOM 365 CB ALA A 24 19.070 -3.927 -1.651 1.00 12.50 C ATOM 0 H ALA A 24 17.573 -3.443 -3.541 1.00 43.12 H new ATOM 0 HA ALA A 24 18.878 -5.756 -2.745 1.00 12.44 H new ATOM 0 HB1 ALA A 24 19.672 -4.368 -0.857 1.00 12.50 H new ATOM 0 HB2 ALA A 24 19.726 -3.479 -2.398 1.00 12.50 H new ATOM 0 HB3 ALA A 24 18.422 -3.158 -1.230 1.00 12.50 H new ATOM 371 N ASP A 25 16.284 -5.023 -0.843 1.00 41.02 N ATOM 372 CA ASP A 25 15.371 -5.574 0.151 1.00 15.42 C ATOM 373 C ASP A 25 14.810 -6.916 -0.310 1.00 2.52 C ATOM 374 O ASP A 25 14.847 -7.902 0.427 1.00 12.11 O ATOM 375 CB ASP A 25 14.227 -4.595 0.421 1.00 14.03 C ATOM 376 CG ASP A 25 13.042 -5.260 1.094 1.00 72.55 C ATOM 377 OD1 ASP A 25 12.011 -5.461 0.417 1.00 0.12 O ATOM 378 OD2 ASP A 25 13.146 -5.582 2.296 1.00 53.34 O ATOM 0 H ASP A 25 16.032 -4.093 -1.177 1.00 41.02 H new ATOM 0 HA ASP A 25 15.930 -5.732 1.073 1.00 15.42 H new ATOM 0 HB2 ASP A 25 14.589 -3.782 1.050 1.00 14.03 H new ATOM 0 HB3 ASP A 25 13.904 -4.150 -0.520 1.00 14.03 H new ATOM 383 N LEU A 26 14.291 -6.946 -1.532 1.00 42.52 N ATOM 384 CA LEU A 26 13.722 -8.166 -2.092 1.00 33.41 C ATOM 385 C LEU A 26 14.775 -9.265 -2.187 1.00 24.25 C ATOM 386 O LEU A 26 14.492 -10.436 -1.932 1.00 2.05 O ATOM 387 CB LEU A 26 13.131 -7.890 -3.476 1.00 5.43 C ATOM 388 CG LEU A 26 11.959 -8.777 -3.895 1.00 51.10 C ATOM 389 CD1 LEU A 26 11.192 -8.140 -5.044 1.00 31.43 C ATOM 390 CD2 LEU A 26 12.451 -10.163 -4.284 1.00 25.23 C ATOM 0 H LEU A 26 14.252 -6.139 -2.154 1.00 42.52 H new ATOM 0 HA LEU A 26 12.928 -8.505 -1.426 1.00 33.41 H new ATOM 0 HB2 LEU A 26 12.804 -6.851 -3.508 1.00 5.43 H new ATOM 0 HB3 LEU A 26 13.924 -7.997 -4.216 1.00 5.43 H new ATOM 0 HG LEU A 26 11.283 -8.878 -3.046 1.00 51.10 H new ATOM 0 HD11 LEU A 26 10.361 -8.786 -5.329 1.00 31.43 H new ATOM 0 HD12 LEU A 26 10.807 -7.170 -4.731 1.00 31.43 H new ATOM 0 HD13 LEU A 26 11.858 -8.008 -5.897 1.00 31.43 H new ATOM 0 HD21 LEU A 26 11.603 -10.781 -4.579 1.00 25.23 H new ATOM 0 HD22 LEU A 26 13.148 -10.081 -5.118 1.00 25.23 H new ATOM 0 HD23 LEU A 26 12.955 -10.622 -3.434 1.00 25.23 H new ATOM 402 N LYS A 27 15.993 -8.880 -2.553 1.00 2.02 N ATOM 403 CA LYS A 27 17.092 -9.831 -2.678 1.00 14.40 C ATOM 404 C LYS A 27 17.448 -10.431 -1.322 1.00 63.51 C ATOM 405 O LYS A 27 17.650 -11.640 -1.203 1.00 10.40 O ATOM 406 CB LYS A 27 18.319 -9.146 -3.283 1.00 63.12 C ATOM 407 CG LYS A 27 18.079 -8.585 -4.674 1.00 70.32 C ATOM 408 CD LYS A 27 18.461 -9.585 -5.752 1.00 64.34 C ATOM 409 CE LYS A 27 17.457 -10.725 -5.837 1.00 44.32 C ATOM 410 NZ LYS A 27 17.543 -11.443 -7.139 1.00 34.44 N ATOM 0 H LYS A 27 16.244 -7.915 -2.768 1.00 2.02 H new ATOM 0 HA LYS A 27 16.770 -10.636 -3.339 1.00 14.40 H new ATOM 0 HB2 LYS A 27 18.635 -8.337 -2.624 1.00 63.12 H new ATOM 0 HB3 LYS A 27 19.140 -9.862 -3.326 1.00 63.12 H new ATOM 0 HG2 LYS A 27 17.028 -8.315 -4.782 1.00 70.32 H new ATOM 0 HG3 LYS A 27 18.658 -7.670 -4.803 1.00 70.32 H new ATOM 0 HD2 LYS A 27 18.520 -9.078 -6.715 1.00 64.34 H new ATOM 0 HD3 LYS A 27 19.452 -9.987 -5.542 1.00 64.34 H new ATOM 0 HE2 LYS A 27 17.635 -11.427 -5.022 1.00 44.32 H new ATOM 0 HE3 LYS A 27 16.449 -10.332 -5.705 1.00 44.32 H new ATOM 0 HZ1 LYS A 27 17.144 -12.398 -7.036 1.00 34.44 H new ATOM 0 HZ2 LYS A 27 17.006 -10.920 -7.860 1.00 34.44 H new ATOM 0 HZ3 LYS A 27 18.539 -11.513 -7.432 1.00 34.44 H new ATOM 424 N GLN A 28 17.523 -9.580 -0.304 1.00 33.41 N ATOM 425 CA GLN A 28 17.854 -10.029 1.043 1.00 23.03 C ATOM 426 C GLN A 28 16.824 -11.032 1.552 1.00 65.52 C ATOM 427 O GLN A 28 17.168 -12.001 2.231 1.00 55.34 O ATOM 428 CB GLN A 28 17.934 -8.835 1.996 1.00 10.10 C ATOM 429 CG GLN A 28 18.207 -9.226 3.440 1.00 42.55 C ATOM 430 CD GLN A 28 18.728 -8.068 4.269 1.00 73.12 C ATOM 431 OE1 GLN A 28 18.136 -6.988 4.289 1.00 61.31 O ATOM 432 NE2 GLN A 28 19.840 -8.288 4.959 1.00 4.43 N ATOM 0 H GLN A 28 17.359 -8.577 -0.386 1.00 33.41 H new ATOM 0 HA GLN A 28 18.826 -10.521 1.006 1.00 23.03 H new ATOM 0 HB2 GLN A 28 18.720 -8.161 1.656 1.00 10.10 H new ATOM 0 HB3 GLN A 28 16.997 -8.280 1.949 1.00 10.10 H new ATOM 0 HG2 GLN A 28 17.289 -9.606 3.889 1.00 42.55 H new ATOM 0 HG3 GLN A 28 18.933 -10.039 3.461 1.00 42.55 H new ATOM 0 HE21 GLN A 28 20.297 -9.199 4.913 1.00 4.43 H new ATOM 0 HE22 GLN A 28 20.238 -7.546 5.536 1.00 4.43 H new ATOM 441 N LYS A 29 15.560 -10.795 1.220 1.00 41.14 N ATOM 442 CA LYS A 29 14.479 -11.678 1.641 1.00 11.42 C ATOM 443 C LYS A 29 14.680 -13.086 1.091 1.00 44.11 C ATOM 444 O LYS A 29 14.529 -14.072 1.813 1.00 40.20 O ATOM 445 CB LYS A 29 13.130 -11.125 1.175 1.00 2.40 C ATOM 446 CG LYS A 29 12.521 -10.118 2.136 1.00 72.05 C ATOM 447 CD LYS A 29 11.006 -10.087 2.024 1.00 32.40 C ATOM 448 CE LYS A 29 10.557 -9.562 0.669 1.00 61.10 C ATOM 449 NZ LYS A 29 10.931 -8.134 0.476 1.00 1.44 N ATOM 0 H LYS A 29 15.259 -9.998 0.660 1.00 41.14 H new ATOM 0 HA LYS A 29 14.488 -11.728 2.730 1.00 11.42 H new ATOM 0 HB2 LYS A 29 13.257 -10.654 0.200 1.00 2.40 H new ATOM 0 HB3 LYS A 29 12.434 -11.953 1.040 1.00 2.40 H new ATOM 0 HG2 LYS A 29 12.806 -10.370 3.157 1.00 72.05 H new ATOM 0 HG3 LYS A 29 12.923 -9.126 1.928 1.00 72.05 H new ATOM 0 HD2 LYS A 29 10.608 -11.090 2.176 1.00 32.40 H new ATOM 0 HD3 LYS A 29 10.595 -9.458 2.813 1.00 32.40 H new ATOM 0 HE2 LYS A 29 11.005 -10.165 -0.121 1.00 61.10 H new ATOM 0 HE3 LYS A 29 9.476 -9.670 0.578 1.00 61.10 H new ATOM 0 HZ1 LYS A 29 10.479 -7.770 -0.387 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 10.612 -7.578 1.295 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 11.964 -8.055 0.385 1.00 1.44 H new ATOM 463 N ILE A 30 15.023 -13.172 -0.190 1.00 25.32 N ATOM 464 CA ILE A 30 15.248 -14.460 -0.835 1.00 1.02 C ATOM 465 C ILE A 30 16.549 -15.095 -0.356 1.00 31.33 C ATOM 466 O ILE A 30 16.638 -16.313 -0.204 1.00 34.33 O ATOM 467 CB ILE A 30 15.292 -14.322 -2.368 1.00 52.41 C ATOM 468 CG1 ILE A 30 14.011 -13.659 -2.879 1.00 33.11 C ATOM 469 CG2 ILE A 30 15.485 -15.684 -3.017 1.00 43.25 C ATOM 470 CD1 ILE A 30 14.061 -13.299 -4.347 1.00 51.51 C ATOM 0 H ILE A 30 15.151 -12.366 -0.801 1.00 25.32 H new ATOM 0 HA ILE A 30 14.410 -15.101 -0.560 1.00 1.02 H new ATOM 0 HB ILE A 30 16.138 -13.690 -2.637 1.00 52.41 H new ATOM 0 HG12 ILE A 30 13.170 -14.331 -2.706 1.00 33.11 H new ATOM 0 HG13 ILE A 30 13.822 -12.756 -2.298 1.00 33.11 H new ATOM 0 HG21 ILE A 30 15.514 -15.570 -4.101 1.00 43.25 H new ATOM 0 HG22 ILE A 30 16.422 -16.121 -2.673 1.00 43.25 H new ATOM 0 HG23 ILE A 30 14.657 -16.338 -2.743 1.00 43.25 H new ATOM 0 HD11 ILE A 30 13.120 -12.833 -4.640 1.00 51.51 H new ATOM 0 HD12 ILE A 30 14.881 -12.602 -4.523 1.00 51.51 H new ATOM 0 HD13 ILE A 30 14.218 -14.201 -4.938 1.00 51.51 H new ATOM 482 N ALA A 31 17.556 -14.261 -0.118 1.00 31.23 N ATOM 483 CA ALA A 31 18.851 -14.741 0.348 1.00 1.33 C ATOM 484 C ALA A 31 18.724 -15.445 1.695 1.00 72.44 C ATOM 485 O ALA A 31 19.258 -16.538 1.887 1.00 13.11 O ATOM 486 CB ALA A 31 19.837 -13.586 0.446 1.00 63.21 C ATOM 0 H ALA A 31 17.500 -13.250 -0.240 1.00 31.23 H new ATOM 0 HA ALA A 31 19.225 -15.464 -0.377 1.00 1.33 H new ATOM 0 HB1 ALA A 31 20.800 -13.958 0.795 1.00 63.21 H new ATOM 0 HB2 ALA A 31 19.959 -13.128 -0.535 1.00 63.21 H new ATOM 0 HB3 ALA A 31 19.459 -12.843 1.149 1.00 63.21 H new ATOM 492 N ASP A 32 18.014 -14.813 2.623 1.00 64.40 N ATOM 493 CA ASP A 32 17.817 -15.380 3.952 1.00 73.41 C ATOM 494 C ASP A 32 16.797 -16.514 3.913 1.00 70.32 C ATOM 495 O ASP A 32 16.803 -17.399 4.769 1.00 72.11 O ATOM 496 CB ASP A 32 17.356 -14.297 4.929 1.00 61.14 C ATOM 497 CG ASP A 32 17.558 -14.699 6.376 1.00 34.33 C ATOM 498 OD1 ASP A 32 16.694 -15.421 6.918 1.00 52.21 O ATOM 499 OD2 ASP A 32 18.580 -14.293 6.968 1.00 73.34 O ATOM 0 H ASP A 32 17.565 -13.908 2.480 1.00 64.40 H new ATOM 0 HA ASP A 32 18.770 -15.784 4.293 1.00 73.41 H new ATOM 0 HB2 ASP A 32 17.904 -13.376 4.731 1.00 61.14 H new ATOM 0 HB3 ASP A 32 16.301 -14.083 4.758 1.00 61.14 H new ATOM 504 N LYS A 33 15.921 -16.481 2.914 1.00 21.22 N ATOM 505 CA LYS A 33 14.895 -17.505 2.762 1.00 75.40 C ATOM 506 C LYS A 33 15.515 -18.845 2.379 1.00 61.11 C ATOM 507 O LYS A 33 15.171 -19.882 2.944 1.00 32.50 O ATOM 508 CB LYS A 33 13.875 -17.082 1.702 1.00 44.41 C ATOM 509 CG LYS A 33 12.816 -18.133 1.422 1.00 34.13 C ATOM 510 CD LYS A 33 11.801 -17.645 0.402 1.00 11.32 C ATOM 511 CE LYS A 33 10.815 -16.666 1.022 1.00 74.35 C ATOM 512 NZ LYS A 33 9.697 -17.368 1.712 1.00 1.41 N ATOM 0 H LYS A 33 15.902 -15.755 2.197 1.00 21.22 H new ATOM 0 HA LYS A 33 14.388 -17.620 3.720 1.00 75.40 H new ATOM 0 HB2 LYS A 33 13.386 -16.164 2.027 1.00 44.41 H new ATOM 0 HB3 LYS A 33 14.401 -16.853 0.775 1.00 44.41 H new ATOM 0 HG2 LYS A 33 13.293 -19.042 1.056 1.00 34.13 H new ATOM 0 HG3 LYS A 33 12.305 -18.392 2.349 1.00 34.13 H new ATOM 0 HD2 LYS A 33 12.319 -17.165 -0.428 1.00 11.32 H new ATOM 0 HD3 LYS A 33 11.260 -18.496 -0.010 1.00 11.32 H new ATOM 0 HE2 LYS A 33 11.337 -16.027 1.734 1.00 74.35 H new ATOM 0 HE3 LYS A 33 10.412 -16.016 0.246 1.00 74.35 H new ATOM 0 HZ1 LYS A 33 9.047 -16.667 2.121 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 9.183 -17.959 1.028 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 10.079 -17.969 2.470 1.00 1.41 H new ATOM 526 N GLU A 34 16.432 -18.814 1.417 1.00 60.02 N ATOM 527 CA GLU A 34 17.100 -20.027 0.960 1.00 43.11 C ATOM 528 C GLU A 34 18.533 -20.089 1.482 1.00 13.54 C ATOM 529 O GLU A 34 19.330 -20.917 1.045 1.00 74.32 O ATOM 530 CB GLU A 34 17.100 -20.091 -0.569 1.00 3.22 C ATOM 531 CG GLU A 34 15.759 -20.490 -1.161 1.00 63.13 C ATOM 532 CD GLU A 34 15.248 -21.807 -0.612 1.00 33.53 C ATOM 533 OE1 GLU A 34 16.064 -22.738 -0.447 1.00 3.01 O ATOM 534 OE2 GLU A 34 14.032 -21.908 -0.347 1.00 33.33 O ATOM 0 H GLU A 34 16.729 -17.963 0.940 1.00 60.02 H new ATOM 0 HA GLU A 34 16.551 -20.883 1.353 1.00 43.11 H new ATOM 0 HB2 GLU A 34 17.387 -19.117 -0.965 1.00 3.22 H new ATOM 0 HB3 GLU A 34 17.858 -20.804 -0.895 1.00 3.22 H new ATOM 0 HG2 GLU A 34 15.028 -19.707 -0.956 1.00 63.13 H new ATOM 0 HG3 GLU A 34 15.852 -20.564 -2.245 1.00 63.13 H new ATOM 541 N GLY A 35 18.852 -19.204 2.422 1.00 5.41 N ATOM 542 CA GLY A 35 20.188 -19.173 2.989 1.00 62.23 C ATOM 543 C GLY A 35 21.267 -19.105 1.926 1.00 2.13 C ATOM 544 O GLY A 35 22.347 -19.674 2.090 1.00 75.14 O ATOM 0 H GLY A 35 18.209 -18.508 2.801 1.00 5.41 H new ATOM 0 HA2 GLY A 35 20.279 -18.311 3.650 1.00 62.23 H new ATOM 0 HA3 GLY A 35 20.341 -20.062 3.601 1.00 62.23 H new ATOM 548 N VAL A 36 20.976 -18.407 0.833 1.00 73.41 N ATOM 549 CA VAL A 36 21.929 -18.267 -0.261 1.00 61.12 C ATOM 550 C VAL A 36 22.255 -16.801 -0.522 1.00 12.32 C ATOM 551 O VAL A 36 21.479 -15.900 -0.202 1.00 34.34 O ATOM 552 CB VAL A 36 21.392 -18.901 -1.558 1.00 41.44 C ATOM 553 CG1 VAL A 36 21.528 -20.415 -1.509 1.00 52.22 C ATOM 554 CG2 VAL A 36 19.945 -18.494 -1.790 1.00 34.02 C ATOM 0 H VAL A 36 20.087 -17.930 0.682 1.00 73.41 H new ATOM 0 HA VAL A 36 22.837 -18.790 0.041 1.00 61.12 H new ATOM 0 HB VAL A 36 21.987 -18.534 -2.395 1.00 41.44 H new ATOM 0 HG11 VAL A 36 21.143 -20.845 -2.434 1.00 52.22 H new ATOM 0 HG12 VAL A 36 22.578 -20.682 -1.394 1.00 52.22 H new ATOM 0 HG13 VAL A 36 20.960 -20.804 -0.664 1.00 52.22 H new ATOM 0 HG21 VAL A 36 19.582 -18.951 -2.711 1.00 34.02 H new ATOM 0 HG22 VAL A 36 19.334 -18.830 -0.952 1.00 34.02 H new ATOM 0 HG23 VAL A 36 19.881 -17.409 -1.874 1.00 34.02 H new ATOM 564 N PRO A 37 23.431 -16.553 -1.118 1.00 14.44 N ATOM 565 CA PRO A 37 23.886 -15.196 -1.436 1.00 22.03 C ATOM 566 C PRO A 37 23.072 -14.559 -2.557 1.00 63.30 C ATOM 567 O PRO A 37 22.735 -15.215 -3.543 1.00 31.44 O ATOM 568 CB PRO A 37 25.336 -15.404 -1.879 1.00 44.22 C ATOM 569 CG PRO A 37 25.384 -16.809 -2.371 1.00 65.04 C ATOM 570 CD PRO A 37 24.406 -17.577 -1.527 1.00 73.20 C ATOM 0 HA PRO A 37 23.778 -14.520 -0.588 1.00 22.03 H new ATOM 0 HB2 PRO A 37 25.615 -14.700 -2.663 1.00 44.22 H new ATOM 0 HB3 PRO A 37 26.029 -15.250 -1.052 1.00 44.22 H new ATOM 0 HG2 PRO A 37 25.115 -16.862 -3.426 1.00 65.04 H new ATOM 0 HG3 PRO A 37 26.389 -17.221 -2.277 1.00 65.04 H new ATOM 0 HD2 PRO A 37 23.932 -18.380 -2.091 1.00 73.20 H new ATOM 0 HD3 PRO A 37 24.892 -18.036 -0.666 1.00 73.20 H new ATOM 578 N VAL A 38 22.760 -13.277 -2.401 1.00 11.34 N ATOM 579 CA VAL A 38 21.987 -12.551 -3.401 1.00 53.30 C ATOM 580 C VAL A 38 22.674 -12.590 -4.762 1.00 35.25 C ATOM 581 O VAL A 38 22.026 -12.453 -5.800 1.00 31.45 O ATOM 582 CB VAL A 38 21.773 -11.082 -2.988 1.00 65.14 C ATOM 583 CG1 VAL A 38 21.042 -11.002 -1.657 1.00 62.20 C ATOM 584 CG2 VAL A 38 23.105 -10.350 -2.919 1.00 40.25 C ATOM 0 H VAL A 38 23.031 -12.719 -1.591 1.00 11.34 H new ATOM 0 HA VAL A 38 21.018 -13.045 -3.472 1.00 53.30 H new ATOM 0 HB VAL A 38 21.155 -10.596 -3.743 1.00 65.14 H new ATOM 0 HG11 VAL A 38 20.900 -9.957 -1.382 1.00 62.20 H new ATOM 0 HG12 VAL A 38 20.071 -11.489 -1.745 1.00 62.20 H new ATOM 0 HG13 VAL A 38 21.630 -11.503 -0.888 1.00 62.20 H new ATOM 0 HG21 VAL A 38 22.936 -9.314 -2.626 1.00 40.25 H new ATOM 0 HG22 VAL A 38 23.749 -10.834 -2.185 1.00 40.25 H new ATOM 0 HG23 VAL A 38 23.586 -10.377 -3.897 1.00 40.25 H new ATOM 594 N ASP A 39 23.988 -12.779 -4.749 1.00 4.21 N ATOM 595 CA ASP A 39 24.764 -12.838 -5.982 1.00 62.23 C ATOM 596 C ASP A 39 24.298 -13.994 -6.862 1.00 50.33 C ATOM 597 O ASP A 39 24.480 -13.971 -8.079 1.00 62.52 O ATOM 598 CB ASP A 39 26.253 -12.990 -5.667 1.00 1.34 C ATOM 599 CG ASP A 39 26.826 -11.768 -4.976 1.00 12.31 C ATOM 600 OD1 ASP A 39 26.981 -11.804 -3.737 1.00 55.10 O ATOM 601 OD2 ASP A 39 27.120 -10.775 -5.674 1.00 60.43 O ATOM 0 H ASP A 39 24.539 -12.894 -3.898 1.00 4.21 H new ATOM 0 HA ASP A 39 24.609 -11.905 -6.524 1.00 62.23 H new ATOM 0 HB2 ASP A 39 26.400 -13.865 -5.033 1.00 1.34 H new ATOM 0 HB3 ASP A 39 26.801 -13.171 -6.592 1.00 1.34 H new ATOM 606 N GLN A 40 23.697 -15.001 -6.238 1.00 21.41 N ATOM 607 CA GLN A 40 23.207 -16.166 -6.965 1.00 32.42 C ATOM 608 C GLN A 40 21.755 -15.971 -7.391 1.00 24.24 C ATOM 609 O GLN A 40 21.254 -16.682 -8.261 1.00 33.11 O ATOM 610 CB GLN A 40 23.333 -17.423 -6.101 1.00 52.24 C ATOM 611 CG GLN A 40 23.541 -18.696 -6.906 1.00 55.32 C ATOM 612 CD GLN A 40 24.927 -18.783 -7.513 1.00 1.22 C ATOM 613 OE1 GLN A 40 25.158 -18.323 -8.632 1.00 33.42 O ATOM 614 NE2 GLN A 40 25.860 -19.374 -6.776 1.00 31.32 N ATOM 0 H GLN A 40 23.538 -15.034 -5.231 1.00 21.41 H new ATOM 0 HA GLN A 40 23.816 -16.287 -7.861 1.00 32.42 H new ATOM 0 HB2 GLN A 40 24.168 -17.298 -5.412 1.00 52.24 H new ATOM 0 HB3 GLN A 40 22.433 -17.529 -5.495 1.00 52.24 H new ATOM 0 HG2 GLN A 40 23.376 -19.560 -6.262 1.00 55.32 H new ATOM 0 HG3 GLN A 40 22.797 -18.744 -7.701 1.00 55.32 H new ATOM 0 HE21 GLN A 40 25.625 -19.741 -5.854 1.00 31.32 H new ATOM 0 HE22 GLN A 40 26.812 -19.461 -7.132 1.00 31.32 H new ATOM 623 N GLN A 41 21.087 -15.004 -6.771 1.00 0.22 N ATOM 624 CA GLN A 41 19.693 -14.717 -7.086 1.00 14.34 C ATOM 625 C GLN A 41 19.582 -13.524 -8.030 1.00 62.31 C ATOM 626 O GLN A 41 20.351 -12.568 -7.931 1.00 21.03 O ATOM 627 CB GLN A 41 18.905 -14.442 -5.804 1.00 15.42 C ATOM 628 CG GLN A 41 18.670 -15.681 -4.956 1.00 25.43 C ATOM 629 CD GLN A 41 19.811 -15.956 -3.996 1.00 3.32 C ATOM 630 OE1 GLN A 41 20.593 -16.887 -4.192 1.00 51.22 O ATOM 631 NE2 GLN A 41 19.913 -15.144 -2.950 1.00 22.34 N ATOM 0 H GLN A 41 21.488 -14.407 -6.048 1.00 0.22 H new ATOM 0 HA GLN A 41 19.272 -15.591 -7.583 1.00 14.34 H new ATOM 0 HB2 GLN A 41 19.441 -13.702 -5.210 1.00 15.42 H new ATOM 0 HB3 GLN A 41 17.942 -14.004 -6.066 1.00 15.42 H new ATOM 0 HG2 GLN A 41 17.746 -15.560 -4.391 1.00 25.43 H new ATOM 0 HG3 GLN A 41 18.534 -16.543 -5.609 1.00 25.43 H new ATOM 0 HE21 GLN A 41 19.243 -14.385 -2.826 1.00 22.34 H new ATOM 0 HE22 GLN A 41 20.661 -15.279 -2.270 1.00 22.34 H new ATOM 640 N ARG A 42 18.621 -13.588 -8.946 1.00 64.31 N ATOM 641 CA ARG A 42 18.412 -12.514 -9.910 1.00 33.53 C ATOM 642 C ARG A 42 16.932 -12.158 -10.013 1.00 75.43 C ATOM 643 O ARG A 42 16.084 -13.031 -10.210 1.00 44.32 O ATOM 644 CB ARG A 42 18.947 -12.922 -11.284 1.00 13.32 C ATOM 645 CG ARG A 42 19.355 -11.743 -12.152 1.00 54.03 C ATOM 646 CD ARG A 42 20.518 -12.099 -13.065 1.00 31.54 C ATOM 647 NE ARG A 42 21.802 -12.014 -12.373 1.00 54.34 N ATOM 648 CZ ARG A 42 22.947 -12.440 -12.894 1.00 73.34 C ATOM 649 NH1 ARG A 42 22.968 -12.979 -14.106 1.00 33.13 N ATOM 650 NH2 ARG A 42 24.074 -12.328 -12.204 1.00 10.24 N ATOM 0 H ARG A 42 17.975 -14.372 -9.041 1.00 64.31 H new ATOM 0 HA ARG A 42 18.956 -11.636 -9.563 1.00 33.53 H new ATOM 0 HB2 ARG A 42 19.807 -13.578 -11.150 1.00 13.32 H new ATOM 0 HB3 ARG A 42 18.183 -13.499 -11.805 1.00 13.32 H new ATOM 0 HG2 ARG A 42 18.505 -11.421 -12.753 1.00 54.03 H new ATOM 0 HG3 ARG A 42 19.634 -10.902 -11.517 1.00 54.03 H new ATOM 0 HD2 ARG A 42 20.380 -13.109 -13.451 1.00 31.54 H new ATOM 0 HD3 ARG A 42 20.524 -11.428 -13.924 1.00 31.54 H new ATOM 0 HE ARG A 42 21.820 -11.605 -11.439 1.00 54.34 H new ATOM 0 HH11 ARG A 42 22.103 -13.067 -14.640 1.00 33.13 H new ATOM 0 HH12 ARG A 42 23.849 -13.305 -14.504 1.00 33.13 H new ATOM 0 HH21 ARG A 42 24.062 -11.914 -11.272 1.00 10.24 H new ATOM 0 HH22 ARG A 42 24.953 -12.656 -12.606 1.00 10.24 H new ATOM 664 N LEU A 43 16.627 -10.872 -9.879 1.00 61.41 N ATOM 665 CA LEU A 43 15.249 -10.400 -9.957 1.00 70.21 C ATOM 666 C LEU A 43 14.899 -9.975 -11.379 1.00 73.05 C ATOM 667 O LEU A 43 15.656 -9.251 -12.026 1.00 5.35 O ATOM 668 CB LEU A 43 15.035 -9.230 -8.995 1.00 52.05 C ATOM 669 CG LEU A 43 14.537 -9.594 -7.596 1.00 52.52 C ATOM 670 CD1 LEU A 43 14.702 -8.416 -6.648 1.00 62.01 C ATOM 671 CD2 LEU A 43 13.083 -10.040 -7.647 1.00 12.31 C ATOM 0 H LEU A 43 17.316 -10.137 -9.716 1.00 61.41 H new ATOM 0 HA LEU A 43 14.592 -11.222 -9.671 1.00 70.21 H new ATOM 0 HB2 LEU A 43 15.977 -8.691 -8.895 1.00 52.05 H new ATOM 0 HB3 LEU A 43 14.320 -8.541 -9.446 1.00 52.05 H new ATOM 0 HG LEU A 43 15.138 -10.423 -7.221 1.00 52.52 H new ATOM 0 HD11 LEU A 43 14.342 -8.693 -5.657 1.00 62.01 H new ATOM 0 HD12 LEU A 43 15.755 -8.142 -6.588 1.00 62.01 H new ATOM 0 HD13 LEU A 43 14.127 -7.568 -7.018 1.00 62.01 H new ATOM 0 HD21 LEU A 43 12.745 -10.295 -6.643 1.00 12.31 H new ATOM 0 HD22 LEU A 43 12.468 -9.231 -8.042 1.00 12.31 H new ATOM 0 HD23 LEU A 43 12.993 -10.913 -8.293 1.00 12.31 H new ATOM 683 N ILE A 44 13.746 -10.428 -11.860 1.00 32.31 N ATOM 684 CA ILE A 44 13.294 -10.092 -13.204 1.00 50.13 C ATOM 685 C ILE A 44 11.821 -9.698 -13.207 1.00 11.24 C ATOM 686 O ILE A 44 11.002 -10.313 -12.524 1.00 15.22 O ATOM 687 CB ILE A 44 13.501 -11.267 -14.178 1.00 41.22 C ATOM 688 CG1 ILE A 44 14.952 -11.750 -14.127 1.00 72.52 C ATOM 689 CG2 ILE A 44 13.124 -10.855 -15.593 1.00 50.53 C ATOM 690 CD1 ILE A 44 15.208 -12.983 -14.966 1.00 52.22 C ATOM 0 H ILE A 44 13.108 -11.029 -11.338 1.00 32.31 H new ATOM 0 HA ILE A 44 13.895 -9.245 -13.536 1.00 50.13 H new ATOM 0 HB ILE A 44 12.853 -12.089 -13.875 1.00 41.22 H new ATOM 0 HG12 ILE A 44 15.606 -10.947 -14.467 1.00 72.52 H new ATOM 0 HG13 ILE A 44 15.220 -11.963 -13.092 1.00 72.52 H new ATOM 0 HG21 ILE A 44 13.276 -11.696 -16.269 1.00 50.53 H new ATOM 0 HG22 ILE A 44 12.077 -10.554 -15.617 1.00 50.53 H new ATOM 0 HG23 ILE A 44 13.749 -10.019 -15.907 1.00 50.53 H new ATOM 0 HD11 ILE A 44 16.257 -13.269 -14.882 1.00 52.22 H new ATOM 0 HD12 ILE A 44 14.580 -13.801 -14.612 1.00 52.22 H new ATOM 0 HD13 ILE A 44 14.972 -12.769 -16.008 1.00 52.22 H new ATOM 702 N PHE A 45 11.490 -8.669 -13.981 1.00 25.34 N ATOM 703 CA PHE A 45 10.115 -8.193 -14.073 1.00 63.02 C ATOM 704 C PHE A 45 9.688 -8.044 -15.530 1.00 43.05 C ATOM 705 O PHE A 45 10.115 -7.120 -16.222 1.00 65.11 O ATOM 706 CB PHE A 45 9.967 -6.854 -13.347 1.00 32.50 C ATOM 707 CG PHE A 45 8.538 -6.452 -13.118 1.00 51.11 C ATOM 708 CD1 PHE A 45 7.733 -6.070 -14.180 1.00 4.15 C ATOM 709 CD2 PHE A 45 8.000 -6.455 -11.841 1.00 75.04 C ATOM 710 CE1 PHE A 45 6.418 -5.699 -13.972 1.00 60.25 C ATOM 711 CE2 PHE A 45 6.685 -6.086 -11.628 1.00 52.24 C ATOM 712 CZ PHE A 45 5.893 -5.706 -12.695 1.00 25.31 C ATOM 0 H PHE A 45 12.155 -8.149 -14.553 1.00 25.34 H new ATOM 0 HA PHE A 45 9.469 -8.930 -13.597 1.00 63.02 H new ATOM 0 HB2 PHE A 45 10.478 -6.912 -12.386 1.00 32.50 H new ATOM 0 HB3 PHE A 45 10.466 -6.078 -13.927 1.00 32.50 H new ATOM 0 HD1 PHE A 45 8.138 -6.062 -15.181 1.00 4.15 H new ATOM 0 HD2 PHE A 45 8.615 -6.749 -11.003 1.00 75.04 H new ATOM 0 HE1 PHE A 45 5.801 -5.404 -14.808 1.00 60.25 H new ATOM 0 HE2 PHE A 45 6.277 -6.095 -10.628 1.00 52.24 H new ATOM 0 HZ PHE A 45 4.866 -5.415 -12.530 1.00 25.31 H new ATOM 722 N ALA A 46 8.843 -8.961 -15.990 1.00 0.11 N ATOM 723 CA ALA A 46 8.357 -8.931 -17.364 1.00 33.54 C ATOM 724 C ALA A 46 9.511 -9.020 -18.357 1.00 13.45 C ATOM 725 O ALA A 46 9.428 -8.498 -19.468 1.00 12.14 O ATOM 726 CB ALA A 46 7.543 -7.670 -17.608 1.00 55.44 C ATOM 0 H ALA A 46 8.481 -9.734 -15.431 1.00 0.11 H new ATOM 0 HA ALA A 46 7.715 -9.799 -17.515 1.00 33.54 H new ATOM 0 HB1 ALA A 46 7.186 -7.661 -18.638 1.00 55.44 H new ATOM 0 HB2 ALA A 46 6.691 -7.650 -16.929 1.00 55.44 H new ATOM 0 HB3 ALA A 46 8.168 -6.794 -17.432 1.00 55.44 H new ATOM 732 N GLY A 47 10.588 -9.683 -17.948 1.00 30.33 N ATOM 733 CA GLY A 47 11.744 -9.827 -18.813 1.00 51.44 C ATOM 734 C GLY A 47 12.739 -8.695 -18.644 1.00 74.43 C ATOM 735 O GLY A 47 13.593 -8.476 -19.503 1.00 41.01 O ATOM 0 H GLY A 47 10.681 -10.123 -17.033 1.00 30.33 H new ATOM 0 HA2 GLY A 47 12.237 -10.775 -18.600 1.00 51.44 H new ATOM 0 HA3 GLY A 47 11.415 -9.865 -19.851 1.00 51.44 H new ATOM 739 N LYS A 48 12.628 -7.973 -17.534 1.00 71.25 N ATOM 740 CA LYS A 48 13.524 -6.858 -17.254 1.00 51.44 C ATOM 741 C LYS A 48 14.266 -7.073 -15.939 1.00 51.32 C ATOM 742 O LYS A 48 13.648 -7.242 -14.889 1.00 33.53 O ATOM 743 CB LYS A 48 12.737 -5.546 -17.200 1.00 22.02 C ATOM 744 CG LYS A 48 13.618 -4.312 -17.098 1.00 74.54 C ATOM 745 CD LYS A 48 13.857 -3.685 -18.461 1.00 65.03 C ATOM 746 CE LYS A 48 15.035 -2.723 -18.432 1.00 52.54 C ATOM 747 NZ LYS A 48 16.333 -3.438 -18.290 1.00 70.33 N ATOM 0 H LYS A 48 11.926 -8.141 -16.813 1.00 71.25 H new ATOM 0 HA LYS A 48 14.257 -6.802 -18.059 1.00 51.44 H new ATOM 0 HB2 LYS A 48 12.117 -5.467 -18.093 1.00 22.02 H new ATOM 0 HB3 LYS A 48 12.062 -5.572 -16.345 1.00 22.02 H new ATOM 0 HG2 LYS A 48 13.149 -3.582 -16.438 1.00 74.54 H new ATOM 0 HG3 LYS A 48 14.573 -4.582 -16.648 1.00 74.54 H new ATOM 0 HD2 LYS A 48 14.043 -4.468 -19.196 1.00 65.03 H new ATOM 0 HD3 LYS A 48 12.960 -3.155 -18.781 1.00 65.03 H new ATOM 0 HE2 LYS A 48 15.044 -2.133 -19.348 1.00 52.54 H new ATOM 0 HE3 LYS A 48 14.913 -2.025 -17.604 1.00 52.54 H new ATOM 0 HZ1 LYS A 48 17.112 -2.797 -18.543 1.00 70.33 H new ATOM 0 HZ2 LYS A 48 16.450 -3.754 -17.306 1.00 70.33 H new ATOM 0 HZ3 LYS A 48 16.345 -4.264 -18.922 1.00 70.33 H new ATOM 761 N GLN A 49 15.593 -7.063 -16.005 1.00 44.44 N ATOM 762 CA GLN A 49 16.418 -7.256 -14.819 1.00 3.13 C ATOM 763 C GLN A 49 16.545 -5.959 -14.027 1.00 0.14 C ATOM 764 O GLN A 49 16.994 -4.939 -14.552 1.00 62.41 O ATOM 765 CB GLN A 49 17.806 -7.764 -15.214 1.00 1.32 C ATOM 766 CG GLN A 49 17.774 -9.028 -16.058 1.00 10.32 C ATOM 767 CD GLN A 49 19.107 -9.325 -16.715 1.00 43.52 C ATOM 768 OE1 GLN A 49 20.119 -9.512 -16.038 1.00 15.51 O ATOM 769 NE2 GLN A 49 19.116 -9.370 -18.042 1.00 44.43 N ATOM 0 H GLN A 49 16.120 -6.923 -16.867 1.00 44.44 H new ATOM 0 HA GLN A 49 15.933 -8.000 -14.187 1.00 3.13 H new ATOM 0 HB2 GLN A 49 18.327 -6.982 -15.766 1.00 1.32 H new ATOM 0 HB3 GLN A 49 18.385 -7.955 -14.310 1.00 1.32 H new ATOM 0 HG2 GLN A 49 17.486 -9.872 -15.431 1.00 10.32 H new ATOM 0 HG3 GLN A 49 17.009 -8.927 -16.827 1.00 10.32 H new ATOM 0 HE21 GLN A 49 18.254 -9.209 -18.564 1.00 44.43 H new ATOM 0 HE22 GLN A 49 19.985 -9.566 -18.540 1.00 44.43 H new ATOM 778 N LEU A 50 16.146 -6.004 -12.760 1.00 42.42 N ATOM 779 CA LEU A 50 16.215 -4.831 -11.895 1.00 33.44 C ATOM 780 C LEU A 50 17.477 -4.860 -11.039 1.00 12.44 C ATOM 781 O LEU A 50 17.812 -5.884 -10.444 1.00 52.33 O ATOM 782 CB LEU A 50 14.978 -4.762 -10.997 1.00 73.54 C ATOM 783 CG LEU A 50 13.640 -5.063 -11.674 1.00 71.14 C ATOM 784 CD1 LEU A 50 13.602 -4.463 -13.071 1.00 71.03 C ATOM 785 CD2 LEU A 50 13.396 -6.564 -11.730 1.00 34.11 C ATOM 0 H LEU A 50 15.772 -6.839 -12.309 1.00 42.42 H new ATOM 0 HA LEU A 50 16.247 -3.944 -12.528 1.00 33.44 H new ATOM 0 HB2 LEU A 50 15.112 -5.464 -10.174 1.00 73.54 H new ATOM 0 HB3 LEU A 50 14.925 -3.765 -10.561 1.00 73.54 H new ATOM 0 HG LEU A 50 12.845 -4.608 -11.083 1.00 71.14 H new ATOM 0 HD11 LEU A 50 12.643 -4.687 -13.537 1.00 71.03 H new ATOM 0 HD12 LEU A 50 13.730 -3.383 -13.007 1.00 71.03 H new ATOM 0 HD13 LEU A 50 14.406 -4.889 -13.672 1.00 71.03 H new ATOM 0 HD21 LEU A 50 12.440 -6.759 -12.215 1.00 34.11 H new ATOM 0 HD22 LEU A 50 14.195 -7.042 -12.298 1.00 34.11 H new ATOM 0 HD23 LEU A 50 13.379 -6.968 -10.718 1.00 34.11 H new ATOM 797 N GLU A 51 18.171 -3.727 -10.979 1.00 61.54 N ATOM 798 CA GLU A 51 19.396 -3.623 -10.194 1.00 74.24 C ATOM 799 C GLU A 51 19.152 -2.841 -8.907 1.00 53.54 C ATOM 800 O GLU A 51 18.100 -2.224 -8.733 1.00 23.33 O ATOM 801 CB GLU A 51 20.497 -2.948 -11.014 1.00 2.00 C ATOM 802 CG GLU A 51 21.162 -3.873 -12.019 1.00 72.34 C ATOM 803 CD GLU A 51 22.421 -3.277 -12.618 1.00 12.40 C ATOM 804 OE1 GLU A 51 22.579 -2.040 -12.553 1.00 3.55 O ATOM 805 OE2 GLU A 51 23.247 -4.046 -13.152 1.00 11.13 O ATOM 0 H GLU A 51 17.906 -2.870 -11.464 1.00 61.54 H new ATOM 0 HA GLU A 51 19.716 -4.631 -9.931 1.00 74.24 H new ATOM 0 HB2 GLU A 51 20.073 -2.095 -11.544 1.00 2.00 H new ATOM 0 HB3 GLU A 51 21.255 -2.557 -10.336 1.00 2.00 H new ATOM 0 HG2 GLU A 51 21.408 -4.816 -11.531 1.00 72.34 H new ATOM 0 HG3 GLU A 51 20.457 -4.102 -12.818 1.00 72.34 H new ATOM 812 N ASP A 52 20.130 -2.870 -8.009 1.00 63.55 N ATOM 813 CA ASP A 52 20.023 -2.164 -6.738 1.00 44.02 C ATOM 814 C ASP A 52 19.801 -0.672 -6.963 1.00 4.50 C ATOM 815 O ASP A 52 19.319 0.035 -6.078 1.00 23.35 O ATOM 816 CB ASP A 52 21.284 -2.384 -5.900 1.00 71.34 C ATOM 817 CG ASP A 52 22.500 -1.700 -6.493 1.00 11.21 C ATOM 818 OD1 ASP A 52 23.015 -2.190 -7.520 1.00 5.42 O ATOM 819 OD2 ASP A 52 22.936 -0.674 -5.930 1.00 55.34 O ATOM 0 H ASP A 52 21.007 -3.375 -8.138 1.00 63.55 H new ATOM 0 HA ASP A 52 19.164 -2.564 -6.199 1.00 44.02 H new ATOM 0 HB2 ASP A 52 21.116 -2.009 -4.891 1.00 71.34 H new ATOM 0 HB3 ASP A 52 21.478 -3.453 -5.814 1.00 71.34 H new ATOM 824 N SER A 53 20.158 -0.198 -8.153 1.00 35.02 N ATOM 825 CA SER A 53 20.002 1.212 -8.492 1.00 71.54 C ATOM 826 C SER A 53 18.640 1.470 -9.130 1.00 31.44 C ATOM 827 O SER A 53 18.394 2.540 -9.686 1.00 41.01 O ATOM 828 CB SER A 53 21.115 1.655 -9.444 1.00 31.32 C ATOM 829 OG SER A 53 22.344 1.807 -8.755 1.00 61.31 O ATOM 0 H SER A 53 20.557 -0.769 -8.898 1.00 35.02 H new ATOM 0 HA SER A 53 20.068 1.791 -7.571 1.00 71.54 H new ATOM 0 HB2 SER A 53 21.230 0.921 -10.241 1.00 31.32 H new ATOM 0 HB3 SER A 53 20.840 2.598 -9.916 1.00 31.32 H new ATOM 0 HG SER A 53 23.040 2.089 -9.385 1.00 61.31 H new ATOM 835 N LYS A 54 17.757 0.480 -9.044 1.00 51.52 N ATOM 836 CA LYS A 54 16.418 0.598 -9.610 1.00 44.03 C ATOM 837 C LYS A 54 15.354 0.337 -8.549 1.00 60.24 C ATOM 838 O LYS A 54 15.630 -0.271 -7.514 1.00 54.13 O ATOM 839 CB LYS A 54 16.246 -0.382 -10.773 1.00 21.21 C ATOM 840 CG LYS A 54 17.422 -0.398 -11.734 1.00 71.13 C ATOM 841 CD LYS A 54 17.018 -0.928 -13.100 1.00 63.20 C ATOM 842 CE LYS A 54 18.055 -0.586 -14.159 1.00 60.32 C ATOM 843 NZ LYS A 54 19.168 -1.576 -14.186 1.00 13.31 N ATOM 0 H LYS A 54 17.945 -0.413 -8.588 1.00 51.52 H new ATOM 0 HA LYS A 54 16.295 1.616 -9.980 1.00 44.03 H new ATOM 0 HB2 LYS A 54 16.101 -1.386 -10.373 1.00 21.21 H new ATOM 0 HB3 LYS A 54 15.341 -0.124 -11.324 1.00 21.21 H new ATOM 0 HG2 LYS A 54 17.822 0.611 -11.838 1.00 71.13 H new ATOM 0 HG3 LYS A 54 18.220 -1.017 -11.324 1.00 71.13 H new ATOM 0 HD2 LYS A 54 16.891 -2.009 -13.049 1.00 63.20 H new ATOM 0 HD3 LYS A 54 16.054 -0.507 -13.384 1.00 63.20 H new ATOM 0 HE2 LYS A 54 17.577 -0.551 -15.138 1.00 60.32 H new ATOM 0 HE3 LYS A 54 18.458 0.408 -13.965 1.00 60.32 H new ATOM 0 HZ1 LYS A 54 19.550 -1.643 -15.151 1.00 13.31 H new ATOM 0 HZ2 LYS A 54 19.920 -1.270 -13.536 1.00 13.31 H new ATOM 0 HZ3 LYS A 54 18.812 -2.507 -13.890 1.00 13.31 H new ATOM 857 N THR A 55 14.136 0.799 -8.814 1.00 34.45 N ATOM 858 CA THR A 55 13.030 0.615 -7.882 1.00 70.30 C ATOM 859 C THR A 55 11.729 0.329 -8.623 1.00 14.13 C ATOM 860 O THR A 55 11.607 0.611 -9.814 1.00 41.34 O ATOM 861 CB THR A 55 12.837 1.854 -6.987 1.00 71.35 C ATOM 862 OG1 THR A 55 12.064 2.841 -7.679 1.00 1.43 O ATOM 863 CG2 THR A 55 14.180 2.444 -6.584 1.00 15.31 C ATOM 0 H THR A 55 13.890 1.303 -9.666 1.00 34.45 H new ATOM 0 HA THR A 55 13.283 -0.240 -7.255 1.00 70.30 H new ATOM 0 HB THR A 55 12.308 1.546 -6.085 1.00 71.35 H new ATOM 0 HG1 THR A 55 11.944 3.625 -7.103 1.00 1.43 H new ATOM 0 HG21 THR A 55 14.019 3.318 -5.953 1.00 15.31 H new ATOM 0 HG22 THR A 55 14.754 1.699 -6.033 1.00 15.31 H new ATOM 0 HG23 THR A 55 14.731 2.739 -7.477 1.00 15.31 H new ATOM 871 N MET A 56 10.758 -0.232 -7.909 1.00 52.22 N ATOM 872 CA MET A 56 9.464 -0.554 -8.500 1.00 11.41 C ATOM 873 C MET A 56 8.764 0.708 -8.995 1.00 75.21 C ATOM 874 O MET A 56 8.004 0.668 -9.962 1.00 73.13 O ATOM 875 CB MET A 56 8.580 -1.275 -7.481 1.00 74.53 C ATOM 876 CG MET A 56 9.070 -2.671 -7.133 1.00 33.55 C ATOM 877 SD MET A 56 10.090 -2.698 -5.646 1.00 33.21 S ATOM 878 CE MET A 56 11.286 -3.959 -6.079 1.00 31.13 C ATOM 0 H MET A 56 10.843 -0.473 -6.921 1.00 52.22 H new ATOM 0 HA MET A 56 9.635 -1.212 -9.352 1.00 11.41 H new ATOM 0 HB2 MET A 56 8.529 -0.679 -6.570 1.00 74.53 H new ATOM 0 HB3 MET A 56 7.566 -1.342 -7.875 1.00 74.53 H new ATOM 0 HG2 MET A 56 8.212 -3.329 -6.992 1.00 33.55 H new ATOM 0 HG3 MET A 56 9.644 -3.070 -7.970 1.00 33.55 H new ATOM 0 HE1 MET A 56 11.674 -4.420 -5.171 1.00 31.13 H new ATOM 0 HE2 MET A 56 10.806 -4.720 -6.695 1.00 31.13 H new ATOM 0 HE3 MET A 56 12.107 -3.506 -6.636 1.00 31.13 H new ATOM 888 N ALA A 57 9.024 1.826 -8.326 1.00 24.35 N ATOM 889 CA ALA A 57 8.420 3.099 -8.699 1.00 62.41 C ATOM 890 C ALA A 57 9.056 3.657 -9.968 1.00 23.24 C ATOM 891 O ALA A 57 8.391 4.310 -10.772 1.00 33.43 O ATOM 892 CB ALA A 57 8.547 4.098 -7.559 1.00 22.11 C ATOM 0 H ALA A 57 9.650 1.876 -7.522 1.00 24.35 H new ATOM 0 HA ALA A 57 7.363 2.927 -8.899 1.00 62.41 H new ATOM 0 HB1 ALA A 57 8.092 5.044 -7.852 1.00 22.11 H new ATOM 0 HB2 ALA A 57 8.040 3.709 -6.676 1.00 22.11 H new ATOM 0 HB3 ALA A 57 9.601 4.258 -7.331 1.00 22.11 H new ATOM 898 N ASP A 58 10.348 3.397 -10.140 1.00 75.31 N ATOM 899 CA ASP A 58 11.074 3.873 -11.312 1.00 14.24 C ATOM 900 C ASP A 58 10.470 3.306 -12.593 1.00 11.32 C ATOM 901 O ASP A 58 10.368 4.002 -13.604 1.00 24.32 O ATOM 902 CB ASP A 58 12.550 3.487 -11.215 1.00 4.03 C ATOM 903 CG ASP A 58 13.412 4.239 -12.210 1.00 71.21 C ATOM 904 OD1 ASP A 58 13.163 4.110 -13.427 1.00 71.33 O ATOM 905 OD2 ASP A 58 14.335 4.957 -11.772 1.00 74.01 O ATOM 0 H ASP A 58 10.914 2.860 -9.483 1.00 75.31 H new ATOM 0 HA ASP A 58 10.992 4.959 -11.343 1.00 14.24 H new ATOM 0 HB2 ASP A 58 12.909 3.686 -10.205 1.00 4.03 H new ATOM 0 HB3 ASP A 58 12.654 2.415 -11.385 1.00 4.03 H new ATOM 910 N TYR A 59 10.072 2.040 -12.543 1.00 52.11 N ATOM 911 CA TYR A 59 9.481 1.379 -13.701 1.00 25.54 C ATOM 912 C TYR A 59 7.974 1.609 -13.750 1.00 21.02 C ATOM 913 O TYR A 59 7.294 1.147 -14.665 1.00 30.23 O ATOM 914 CB TYR A 59 9.778 -0.122 -13.663 1.00 44.55 C ATOM 915 CG TYR A 59 11.190 -0.470 -14.079 1.00 52.11 C ATOM 916 CD1 TYR A 59 12.095 -0.994 -13.164 1.00 72.12 C ATOM 917 CD2 TYR A 59 11.619 -0.274 -15.386 1.00 33.10 C ATOM 918 CE1 TYR A 59 13.386 -1.313 -13.539 1.00 74.41 C ATOM 919 CE2 TYR A 59 12.907 -0.592 -15.770 1.00 40.21 C ATOM 920 CZ TYR A 59 13.787 -1.111 -14.843 1.00 53.11 C ATOM 921 OH TYR A 59 15.071 -1.427 -15.221 1.00 64.35 O ATOM 0 H TYR A 59 10.148 1.451 -11.714 1.00 52.11 H new ATOM 0 HA TYR A 59 9.925 1.809 -14.599 1.00 25.54 H new ATOM 0 HB2 TYR A 59 9.604 -0.493 -12.653 1.00 44.55 H new ATOM 0 HB3 TYR A 59 9.077 -0.639 -14.318 1.00 44.55 H new ATOM 0 HD1 TYR A 59 11.784 -1.155 -12.142 1.00 72.12 H new ATOM 0 HD2 TYR A 59 10.934 0.134 -16.114 1.00 33.10 H new ATOM 0 HE1 TYR A 59 14.077 -1.718 -12.815 1.00 74.41 H new ATOM 0 HE2 TYR A 59 13.224 -0.435 -16.791 1.00 40.21 H new ATOM 0 HH TYR A 59 15.467 -0.669 -15.699 1.00 64.35 H new ATOM 931 N ASN A 60 7.459 2.328 -12.758 1.00 5.33 N ATOM 932 CA ASN A 60 6.033 2.621 -12.686 1.00 54.35 C ATOM 933 C ASN A 60 5.222 1.340 -12.521 1.00 34.35 C ATOM 934 O ASN A 60 4.095 1.239 -13.007 1.00 31.01 O ATOM 935 CB ASN A 60 5.580 3.365 -13.945 1.00 1.14 C ATOM 936 CG ASN A 60 4.391 4.270 -13.685 1.00 73.43 C ATOM 937 OD1 ASN A 60 3.252 3.921 -13.997 1.00 70.11 O ATOM 938 ND2 ASN A 60 4.651 5.439 -13.112 1.00 33.22 N ATOM 0 H ASN A 60 8.009 2.719 -11.993 1.00 5.33 H new ATOM 0 HA ASN A 60 5.861 3.254 -11.815 1.00 54.35 H new ATOM 0 HB2 ASN A 60 6.408 3.960 -14.330 1.00 1.14 H new ATOM 0 HB3 ASN A 60 5.320 2.641 -14.718 1.00 1.14 H new ATOM 0 HD21 ASN A 60 3.891 6.090 -12.913 1.00 33.22 H new ATOM 0 HD22 ASN A 60 5.611 5.686 -12.871 1.00 33.22 H new ATOM 945 N ILE A 61 5.802 0.364 -11.831 1.00 23.14 N ATOM 946 CA ILE A 61 5.133 -0.910 -11.599 1.00 61.11 C ATOM 947 C ILE A 61 4.716 -1.055 -10.140 1.00 15.44 C ATOM 948 O ILE A 61 5.560 -1.155 -9.250 1.00 32.30 O ATOM 949 CB ILE A 61 6.035 -2.098 -11.983 1.00 42.12 C ATOM 950 CG1 ILE A 61 7.456 -1.878 -11.460 1.00 11.43 C ATOM 951 CG2 ILE A 61 6.045 -2.289 -13.492 1.00 73.44 C ATOM 952 CD1 ILE A 61 8.395 -3.025 -11.759 1.00 32.21 C ATOM 0 H ILE A 61 6.734 0.431 -11.423 1.00 23.14 H new ATOM 0 HA ILE A 61 4.245 -0.919 -12.231 1.00 61.11 H new ATOM 0 HB ILE A 61 5.635 -3.002 -11.524 1.00 42.12 H new ATOM 0 HG12 ILE A 61 7.859 -0.966 -11.900 1.00 11.43 H new ATOM 0 HG13 ILE A 61 7.417 -1.722 -10.382 1.00 11.43 H new ATOM 0 HG21 ILE A 61 6.687 -3.132 -13.748 1.00 73.44 H new ATOM 0 HG22 ILE A 61 5.031 -2.486 -13.841 1.00 73.44 H new ATOM 0 HG23 ILE A 61 6.424 -1.386 -13.971 1.00 73.44 H new ATOM 0 HD11 ILE A 61 9.384 -2.800 -11.359 1.00 32.21 H new ATOM 0 HD12 ILE A 61 8.015 -3.936 -11.296 1.00 32.21 H new ATOM 0 HD13 ILE A 61 8.464 -3.167 -12.837 1.00 32.21 H new ATOM 964 N GLN A 62 3.408 -1.066 -9.902 1.00 52.53 N ATOM 965 CA GLN A 62 2.878 -1.199 -8.550 1.00 64.02 C ATOM 966 C GLN A 62 1.441 -1.708 -8.576 1.00 61.32 C ATOM 967 O GLN A 62 0.892 -1.997 -9.640 1.00 3.11 O ATOM 968 CB GLN A 62 2.943 0.143 -7.820 1.00 3.34 C ATOM 969 CG GLN A 62 4.299 0.432 -7.196 1.00 64.22 C ATOM 970 CD GLN A 62 4.204 1.335 -5.982 1.00 75.04 C ATOM 971 OE1 GLN A 62 3.218 2.051 -5.803 1.00 74.41 O ATOM 972 NE2 GLN A 62 5.230 1.306 -5.140 1.00 51.54 N ATOM 0 H GLN A 62 2.696 -0.984 -10.628 1.00 52.53 H new ATOM 0 HA GLN A 62 3.491 -1.925 -8.016 1.00 64.02 H new ATOM 0 HB2 GLN A 62 2.698 0.941 -8.521 1.00 3.34 H new ATOM 0 HB3 GLN A 62 2.182 0.160 -7.039 1.00 3.34 H new ATOM 0 HG2 GLN A 62 4.770 -0.508 -6.908 1.00 64.22 H new ATOM 0 HG3 GLN A 62 4.945 0.898 -7.940 1.00 64.22 H new ATOM 0 HE21 GLN A 62 6.027 0.697 -5.328 1.00 51.54 H new ATOM 0 HE22 GLN A 62 5.222 1.892 -4.305 1.00 51.54 H new ATOM 981 N LYS A 63 0.836 -1.817 -7.398 1.00 71.14 N ATOM 982 CA LYS A 63 -0.538 -2.291 -7.285 1.00 14.23 C ATOM 983 C LYS A 63 -0.673 -3.708 -7.833 1.00 4.11 C ATOM 984 O LYS A 63 -1.103 -3.905 -8.969 1.00 12.04 O ATOM 985 CB LYS A 63 -1.487 -1.351 -8.033 1.00 20.32 C ATOM 986 CG LYS A 63 -1.469 0.074 -7.509 1.00 53.30 C ATOM 987 CD LYS A 63 -1.624 1.084 -8.634 1.00 73.32 C ATOM 988 CE LYS A 63 -0.331 1.248 -9.417 1.00 42.52 C ATOM 989 NZ LYS A 63 -0.388 2.412 -10.345 1.00 74.20 N ATOM 0 H LYS A 63 1.276 -1.583 -6.508 1.00 71.14 H new ATOM 0 HA LYS A 63 -0.805 -2.303 -6.228 1.00 14.23 H new ATOM 0 HB2 LYS A 63 -1.220 -1.344 -9.090 1.00 20.32 H new ATOM 0 HB3 LYS A 63 -2.502 -1.742 -7.963 1.00 20.32 H new ATOM 0 HG2 LYS A 63 -2.274 0.207 -6.786 1.00 53.30 H new ATOM 0 HG3 LYS A 63 -0.533 0.257 -6.981 1.00 53.30 H new ATOM 0 HD2 LYS A 63 -2.419 0.762 -9.306 1.00 73.32 H new ATOM 0 HD3 LYS A 63 -1.925 2.047 -8.221 1.00 73.32 H new ATOM 0 HE2 LYS A 63 0.500 1.377 -8.723 1.00 42.52 H new ATOM 0 HE3 LYS A 63 -0.133 0.339 -9.986 1.00 42.52 H new ATOM 0 HZ1 LYS A 63 0.512 2.490 -10.860 1.00 74.20 H new ATOM 0 HZ2 LYS A 63 -1.165 2.277 -11.023 1.00 74.20 H new ATOM 0 HZ3 LYS A 63 -0.551 3.283 -9.800 1.00 74.20 H new ATOM 1003 N GLU A 64 -0.302 -4.691 -7.018 1.00 15.44 N ATOM 1004 CA GLU A 64 -0.383 -6.089 -7.422 1.00 62.14 C ATOM 1005 C GLU A 64 0.533 -6.365 -8.611 1.00 51.15 C ATOM 1006 O GLU A 64 0.314 -7.308 -9.372 1.00 12.22 O ATOM 1007 CB GLU A 64 -1.824 -6.458 -7.779 1.00 35.05 C ATOM 1008 CG GLU A 64 -2.848 -5.947 -6.779 1.00 32.13 C ATOM 1009 CD GLU A 64 -4.115 -6.780 -6.764 1.00 32.23 C ATOM 1010 OE1 GLU A 64 -4.702 -6.947 -5.674 1.00 24.23 O ATOM 1011 OE2 GLU A 64 -4.520 -7.265 -7.841 1.00 21.02 O ATOM 0 H GLU A 64 0.057 -4.544 -6.075 1.00 15.44 H new ATOM 0 HA GLU A 64 -0.056 -6.702 -6.582 1.00 62.14 H new ATOM 0 HB2 GLU A 64 -2.059 -6.057 -8.765 1.00 35.05 H new ATOM 0 HB3 GLU A 64 -1.906 -7.543 -7.848 1.00 35.05 H new ATOM 0 HG2 GLU A 64 -2.407 -5.945 -5.782 1.00 32.13 H new ATOM 0 HG3 GLU A 64 -3.100 -4.914 -7.018 1.00 32.13 H new ATOM 1018 N SER A 65 1.559 -5.535 -8.765 1.00 44.54 N ATOM 1019 CA SER A 65 2.506 -5.685 -9.864 1.00 24.20 C ATOM 1020 C SER A 65 3.030 -7.116 -9.937 1.00 62.31 C ATOM 1021 O SER A 65 3.441 -7.693 -8.929 1.00 53.22 O ATOM 1022 CB SER A 65 3.674 -4.711 -9.696 1.00 52.32 C ATOM 1023 OG SER A 65 3.621 -3.679 -10.666 1.00 75.24 O ATOM 0 H SER A 65 1.756 -4.751 -8.143 1.00 44.54 H new ATOM 0 HA SER A 65 1.984 -5.459 -10.794 1.00 24.20 H new ATOM 0 HB2 SER A 65 3.649 -4.277 -8.697 1.00 52.32 H new ATOM 0 HB3 SER A 65 4.617 -5.250 -9.785 1.00 52.32 H new ATOM 0 HG SER A 65 3.668 -4.071 -11.563 1.00 75.24 H new ATOM 1029 N THR A 66 3.013 -7.685 -11.139 1.00 21.55 N ATOM 1030 CA THR A 66 3.485 -9.049 -11.345 1.00 55.01 C ATOM 1031 C THR A 66 5.000 -9.089 -11.504 1.00 41.54 C ATOM 1032 O THR A 66 5.543 -8.601 -12.497 1.00 3.14 O ATOM 1033 CB THR A 66 2.832 -9.687 -12.586 1.00 44.12 C ATOM 1034 OG1 THR A 66 1.407 -9.678 -12.450 1.00 50.40 O ATOM 1035 CG2 THR A 66 3.319 -11.115 -12.780 1.00 22.15 C ATOM 0 H THR A 66 2.678 -7.222 -11.984 1.00 21.55 H new ATOM 0 HA THR A 66 3.201 -9.619 -10.460 1.00 55.01 H new ATOM 0 HB THR A 66 3.116 -9.101 -13.460 1.00 44.12 H new ATOM 0 HG1 THR A 66 1.000 -10.084 -13.244 1.00 50.40 H new ATOM 0 HG21 THR A 66 2.844 -11.545 -13.662 1.00 22.15 H new ATOM 0 HG22 THR A 66 4.401 -11.116 -12.914 1.00 22.15 H new ATOM 0 HG23 THR A 66 3.061 -11.710 -11.903 1.00 22.15 H new ATOM 1043 N LEU A 67 5.678 -9.672 -10.523 1.00 23.24 N ATOM 1044 CA LEU A 67 7.133 -9.776 -10.554 1.00 61.33 C ATOM 1045 C LEU A 67 7.571 -11.226 -10.735 1.00 24.11 C ATOM 1046 O LEU A 67 6.788 -12.153 -10.527 1.00 20.24 O ATOM 1047 CB LEU A 67 7.733 -9.207 -9.268 1.00 0.33 C ATOM 1048 CG LEU A 67 9.177 -8.713 -9.362 1.00 23.45 C ATOM 1049 CD1 LEU A 67 9.362 -7.443 -8.545 1.00 73.54 C ATOM 1050 CD2 LEU A 67 10.141 -9.794 -8.895 1.00 24.33 C ATOM 0 H LEU A 67 5.244 -10.080 -9.695 1.00 23.24 H new ATOM 0 HA LEU A 67 7.496 -9.197 -11.403 1.00 61.33 H new ATOM 0 HB2 LEU A 67 7.108 -8.379 -8.935 1.00 0.33 H new ATOM 0 HB3 LEU A 67 7.682 -9.975 -8.496 1.00 0.33 H new ATOM 0 HG LEU A 67 9.395 -8.484 -10.405 1.00 23.45 H new ATOM 0 HD11 LEU A 67 10.396 -7.107 -8.624 1.00 73.54 H new ATOM 0 HD12 LEU A 67 8.698 -6.666 -8.924 1.00 73.54 H new ATOM 0 HD13 LEU A 67 9.125 -7.645 -7.500 1.00 73.54 H new ATOM 0 HD21 LEU A 67 11.164 -9.426 -8.969 1.00 24.33 H new ATOM 0 HD22 LEU A 67 9.922 -10.054 -7.859 1.00 24.33 H new ATOM 0 HD23 LEU A 67 10.028 -10.678 -9.522 1.00 24.33 H new ATOM 1062 N HIS A 68 8.829 -11.415 -11.122 1.00 1.03 N ATOM 1063 CA HIS A 68 9.373 -12.753 -11.327 1.00 50.45 C ATOM 1064 C HIS A 68 10.712 -12.911 -10.613 1.00 13.41 C ATOM 1065 O HIS A 68 11.716 -12.328 -11.021 1.00 21.04 O ATOM 1066 CB HIS A 68 9.543 -13.033 -12.821 1.00 14.01 C ATOM 1067 CG HIS A 68 8.301 -12.788 -13.621 1.00 55.22 C ATOM 1068 ND1 HIS A 68 7.659 -11.637 -13.930 1.00 35.51 N flip ATOM 1069 CD2 HIS A 68 7.571 -13.800 -14.207 1.00 42.51 C flip ATOM 1070 CE1 HIS A 68 6.565 -11.971 -14.690 1.00 11.51 C flip ATOM 1071 NE2 HIS A 68 6.535 -13.283 -14.843 1.00 44.10 N flip ATOM 0 H HIS A 68 9.490 -10.659 -11.300 1.00 1.03 H new ATOM 0 HA HIS A 68 8.670 -13.472 -10.907 1.00 50.45 H new ATOM 0 HB2 HIS A 68 10.346 -12.407 -13.211 1.00 14.01 H new ATOM 0 HB3 HIS A 68 9.853 -14.069 -12.955 1.00 14.01 H new ATOM 0 HD2 HIS A 68 7.809 -14.852 -14.154 1.00 42.51 H new ATOM 0 HE1 HIS A 68 5.846 -11.275 -15.096 1.00 11.51 H new ATOM 0 HE2 HIS A 68 5.832 -13.807 -15.363 1.00 44.10 H new ATOM 1079 N MET A 69 10.717 -13.702 -9.545 1.00 2.41 N ATOM 1080 CA MET A 69 11.933 -13.936 -8.774 1.00 51.03 C ATOM 1081 C MET A 69 12.443 -15.358 -8.982 1.00 73.54 C ATOM 1082 O MET A 69 11.658 -16.302 -9.078 1.00 31.12 O ATOM 1083 CB MET A 69 11.676 -13.686 -7.287 1.00 35.40 C ATOM 1084 CG MET A 69 10.794 -14.741 -6.638 1.00 11.24 C ATOM 1085 SD MET A 69 10.644 -14.518 -4.855 1.00 34.24 S ATOM 1086 CE MET A 69 11.644 -15.879 -4.258 1.00 40.10 C ATOM 0 H MET A 69 9.894 -14.191 -9.194 1.00 2.41 H new ATOM 0 HA MET A 69 12.695 -13.241 -9.125 1.00 51.03 H new ATOM 0 HB2 MET A 69 12.631 -13.649 -6.763 1.00 35.40 H new ATOM 0 HB3 MET A 69 11.208 -12.709 -7.166 1.00 35.40 H new ATOM 0 HG2 MET A 69 9.802 -14.708 -7.089 1.00 11.24 H new ATOM 0 HG3 MET A 69 11.205 -15.729 -6.844 1.00 11.24 H new ATOM 0 HE1 MET A 69 11.564 -15.941 -3.173 1.00 40.10 H new ATOM 0 HE2 MET A 69 11.292 -16.811 -4.701 1.00 40.10 H new ATOM 0 HE3 MET A 69 12.685 -15.715 -4.536 1.00 40.10 H new ATOM 1096 N VAL A 70 13.762 -15.505 -9.052 1.00 60.33 N ATOM 1097 CA VAL A 70 14.376 -16.813 -9.248 1.00 44.04 C ATOM 1098 C VAL A 70 15.534 -17.027 -8.280 1.00 20.12 C ATOM 1099 O VAL A 70 16.327 -16.118 -8.033 1.00 5.14 O ATOM 1100 CB VAL A 70 14.890 -16.981 -10.691 1.00 23.14 C ATOM 1101 CG1 VAL A 70 13.729 -17.196 -11.650 1.00 24.23 C ATOM 1102 CG2 VAL A 70 15.718 -15.774 -11.105 1.00 2.02 C ATOM 0 H VAL A 70 14.426 -14.735 -8.976 1.00 60.33 H new ATOM 0 HA VAL A 70 13.603 -17.557 -9.056 1.00 44.04 H new ATOM 0 HB VAL A 70 15.530 -17.863 -10.730 1.00 23.14 H new ATOM 0 HG11 VAL A 70 14.111 -17.313 -12.664 1.00 24.23 H new ATOM 0 HG12 VAL A 70 13.182 -18.094 -11.363 1.00 24.23 H new ATOM 0 HG13 VAL A 70 13.061 -16.336 -11.611 1.00 24.23 H new ATOM 0 HG21 VAL A 70 16.073 -15.909 -12.127 1.00 2.02 H new ATOM 0 HG22 VAL A 70 15.104 -14.875 -11.050 1.00 2.02 H new ATOM 0 HG23 VAL A 70 16.572 -15.671 -10.435 1.00 2.02 H new ATOM 1112 N LEU A 71 15.626 -18.235 -7.734 1.00 13.30 N ATOM 1113 CA LEU A 71 16.688 -18.570 -6.792 1.00 13.24 C ATOM 1114 C LEU A 71 17.578 -19.678 -7.346 1.00 14.24 C ATOM 1115 O LEU A 71 17.098 -20.604 -7.999 1.00 71.40 O ATOM 1116 CB LEU A 71 16.090 -19.002 -5.452 1.00 32.23 C ATOM 1117 CG LEU A 71 15.241 -20.274 -5.475 1.00 0.14 C ATOM 1118 CD1 LEU A 71 16.107 -21.498 -5.222 1.00 20.31 C ATOM 1119 CD2 LEU A 71 14.123 -20.188 -4.446 1.00 1.42 C ATOM 0 H LEU A 71 14.978 -18.998 -7.928 1.00 13.30 H new ATOM 0 HA LEU A 71 17.299 -17.681 -6.640 1.00 13.24 H new ATOM 0 HB2 LEU A 71 16.905 -19.146 -4.743 1.00 32.23 H new ATOM 0 HB3 LEU A 71 15.476 -18.186 -5.071 1.00 32.23 H new ATOM 0 HG LEU A 71 14.792 -20.370 -6.463 1.00 0.14 H new ATOM 0 HD11 LEU A 71 15.486 -22.394 -5.242 1.00 20.31 H new ATOM 0 HD12 LEU A 71 16.871 -21.569 -5.996 1.00 20.31 H new ATOM 0 HD13 LEU A 71 16.585 -21.410 -4.247 1.00 20.31 H new ATOM 0 HD21 LEU A 71 13.529 -21.102 -4.477 1.00 1.42 H new ATOM 0 HD22 LEU A 71 14.552 -20.067 -3.451 1.00 1.42 H new ATOM 0 HD23 LEU A 71 13.485 -19.333 -4.672 1.00 1.42 H new