USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 603 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 45:sc= 0.624 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 124:sc= -0.529 USER MOD Single : A 15 LYS NZ :NH3+ -108:sc= -0.683 (180deg=-1.81!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -29:sc= 0.262 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.5) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00471 USER MOD Single : A 36 LYS NZ :NH3+ 147:sc= -0.0985 (180deg=-0.613) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 144:sc= -4.35! (180deg=-7.23!) USER MOD Single : A 48 MET CE :methyl -170:sc= -0.53 (180deg=-0.852) USER MOD Single : A 52 ASN : amide:sc= -0.429 K(o=-0.43,f=-3.8!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 162:sc= -1.05 (180deg=-2.32) USER MOD Single : A 62 MET CE :methyl -140:sc= -3.32 (180deg=-5.36!) USER MOD Single : A 66 THR OG1 : rot 98:sc= 0.186 USER MOD Single : A 69 SER OG : rot 11:sc= -0.643 USER MOD Single : A 70 MET CE :methyl 177:sc= -1.46 (180deg=-1.51) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.152 24.624 6.057 1.00 0.00 N ATOM 2 CA MET A 1 -14.230 23.454 6.086 1.00 0.00 C ATOM 3 C MET A 1 -14.997 22.192 5.684 1.00 0.00 C ATOM 4 O MET A 1 -14.806 21.654 4.611 1.00 0.00 O ATOM 5 CB MET A 1 -13.670 23.281 7.498 1.00 0.00 C ATOM 6 CG MET A 1 -12.475 22.326 7.464 1.00 0.00 C ATOM 7 SD MET A 1 -11.122 23.020 8.445 1.00 0.00 S ATOM 8 CE MET A 1 -11.477 22.135 9.983 1.00 0.00 C ATOM 0 H1 MET A 1 -14.632 25.482 6.330 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.534 24.741 5.097 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.934 24.466 6.724 1.00 0.00 H new ATOM 0 HA MET A 1 -13.410 23.620 5.388 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.365 24.247 7.900 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.442 22.890 8.161 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.763 21.352 7.859 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.150 22.169 6.435 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.748 22.418 10.742 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.479 22.392 10.328 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.418 21.061 9.807 1.00 0.00 H new ATOM 20 N THR A 2 -15.863 21.716 6.537 1.00 0.00 N ATOM 21 CA THR A 2 -16.642 20.489 6.205 1.00 0.00 C ATOM 22 C THR A 2 -15.716 19.451 5.566 1.00 0.00 C ATOM 23 O THR A 2 -15.837 19.133 4.399 1.00 0.00 O ATOM 24 CB THR A 2 -17.762 20.844 5.224 1.00 0.00 C ATOM 25 OG1 THR A 2 -18.539 21.906 5.759 1.00 0.00 O ATOM 26 CG2 THR A 2 -18.653 19.620 5.002 1.00 0.00 C ATOM 0 H THR A 2 -16.065 22.124 7.450 1.00 0.00 H new ATOM 0 HA THR A 2 -17.074 20.078 7.117 1.00 0.00 H new ATOM 0 HB THR A 2 -17.329 21.154 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.256 22.136 5.131 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.451 19.873 4.303 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.056 18.805 4.592 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.088 19.309 5.952 1.00 0.00 H new ATOM 34 N PHE A 3 -14.793 18.922 6.320 1.00 0.00 N ATOM 35 CA PHE A 3 -13.861 17.906 5.754 1.00 0.00 C ATOM 36 C PHE A 3 -14.658 16.691 5.274 1.00 0.00 C ATOM 37 O PHE A 3 -14.934 15.780 6.029 1.00 0.00 O ATOM 38 CB PHE A 3 -12.867 17.470 6.832 1.00 0.00 C ATOM 39 CG PHE A 3 -11.469 17.478 6.260 1.00 0.00 C ATOM 40 CD1 PHE A 3 -10.779 18.687 6.117 1.00 0.00 C ATOM 41 CD2 PHE A 3 -10.866 16.276 5.873 1.00 0.00 C ATOM 42 CE1 PHE A 3 -9.483 18.694 5.586 1.00 0.00 C ATOM 43 CE2 PHE A 3 -9.571 16.283 5.343 1.00 0.00 C ATOM 44 CZ PHE A 3 -8.880 17.491 5.199 1.00 0.00 C ATOM 0 H PHE A 3 -14.643 19.149 7.303 1.00 0.00 H new ATOM 0 HA PHE A 3 -13.319 18.339 4.913 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.925 18.142 7.688 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -13.119 16.472 7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -11.246 19.614 6.416 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -11.400 15.344 5.983 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -8.949 19.626 5.475 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -9.105 15.356 5.045 1.00 0.00 H new ATOM 0 HZ PHE A 3 -7.881 17.496 4.789 1.00 0.00 H new ATOM 54 N ILE A 4 -15.028 16.669 4.024 1.00 0.00 N ATOM 55 CA ILE A 4 -15.807 15.513 3.497 1.00 0.00 C ATOM 56 C ILE A 4 -14.885 14.299 3.354 1.00 0.00 C ATOM 57 O ILE A 4 -13.686 14.397 3.525 1.00 0.00 O ATOM 58 CB ILE A 4 -16.400 15.878 2.132 1.00 0.00 C ATOM 59 CG1 ILE A 4 -15.313 15.809 1.055 1.00 0.00 C ATOM 60 CG2 ILE A 4 -16.961 17.299 2.187 1.00 0.00 C ATOM 61 CD1 ILE A 4 -15.939 16.060 -0.319 1.00 0.00 C ATOM 0 H ILE A 4 -14.825 17.402 3.344 1.00 0.00 H new ATOM 0 HA ILE A 4 -16.615 15.271 4.187 1.00 0.00 H new ATOM 0 HB ILE A 4 -17.195 15.174 1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -14.540 16.551 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -14.830 14.832 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -17.383 17.561 1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -17.739 17.354 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -16.161 17.997 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -15.166 16.011 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -16.696 15.301 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -16.402 17.047 -0.333 1.00 0.00 H new ATOM 73 N THR A 5 -15.432 13.157 3.040 1.00 0.00 N ATOM 74 CA THR A 5 -14.581 11.944 2.885 1.00 0.00 C ATOM 75 C THR A 5 -13.392 12.282 1.983 1.00 0.00 C ATOM 76 O THR A 5 -13.489 12.249 0.773 1.00 0.00 O ATOM 77 CB THR A 5 -15.402 10.819 2.251 1.00 0.00 C ATOM 78 OG1 THR A 5 -16.031 11.300 1.072 1.00 0.00 O ATOM 79 CG2 THR A 5 -16.465 10.342 3.242 1.00 0.00 C ATOM 0 H THR A 5 -16.430 13.012 2.884 1.00 0.00 H new ATOM 0 HA THR A 5 -14.222 11.619 3.861 1.00 0.00 H new ATOM 0 HB THR A 5 -14.745 9.987 1.998 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.387 11.819 0.546 1.00 0.00 H new ATOM 0 HG21 THR A 5 -17.050 9.541 2.790 1.00 0.00 H new ATOM 0 HG22 THR A 5 -15.980 9.973 4.146 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.123 11.172 3.497 1.00 0.00 H new ATOM 87 N LYS A 6 -12.272 12.612 2.566 1.00 0.00 N ATOM 88 CA LYS A 6 -11.080 12.960 1.745 1.00 0.00 C ATOM 89 C LYS A 6 -10.540 11.707 1.052 1.00 0.00 C ATOM 90 O LYS A 6 -11.263 10.764 0.796 1.00 0.00 O ATOM 91 CB LYS A 6 -9.999 13.562 2.648 1.00 0.00 C ATOM 92 CG LYS A 6 -9.302 12.449 3.436 1.00 0.00 C ATOM 93 CD LYS A 6 -8.685 13.031 4.709 1.00 0.00 C ATOM 94 CE LYS A 6 -8.034 11.908 5.519 1.00 0.00 C ATOM 95 NZ LYS A 6 -6.703 12.359 6.014 1.00 0.00 N ATOM 0 H LYS A 6 -12.132 12.655 3.575 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.365 13.688 0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.270 14.105 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.445 14.282 3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.017 11.667 3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.528 11.986 2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.943 13.787 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.452 13.526 5.304 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.672 11.634 6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.921 11.018 4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.260 11.596 6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.095 12.600 5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.823 13.197 6.618 1.00 0.00 H new ATOM 109 N THR A 7 -9.273 11.693 0.744 1.00 0.00 N ATOM 110 CA THR A 7 -8.678 10.510 0.063 1.00 0.00 C ATOM 111 C THR A 7 -8.989 9.238 0.859 1.00 0.00 C ATOM 112 O THR A 7 -9.213 9.292 2.052 1.00 0.00 O ATOM 113 CB THR A 7 -7.160 10.690 -0.034 1.00 0.00 C ATOM 114 OG1 THR A 7 -6.734 11.626 0.945 1.00 0.00 O ATOM 115 CG2 THR A 7 -6.793 11.204 -1.428 1.00 0.00 C ATOM 0 H THR A 7 -8.621 12.454 0.936 1.00 0.00 H new ATOM 0 HA THR A 7 -9.103 10.420 -0.937 1.00 0.00 H new ATOM 0 HB THR A 7 -6.668 9.733 0.138 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.049 11.216 1.514 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.713 11.332 -1.496 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.121 10.485 -2.179 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.283 12.162 -1.603 1.00 0.00 H new ATOM 123 N PRO A 8 -8.986 8.127 0.166 1.00 0.00 N ATOM 124 CA PRO A 8 -9.255 6.807 0.768 1.00 0.00 C ATOM 125 C PRO A 8 -8.025 6.318 1.540 1.00 0.00 C ATOM 126 O PRO A 8 -6.997 6.965 1.535 1.00 0.00 O ATOM 127 CB PRO A 8 -9.536 5.913 -0.445 1.00 0.00 C ATOM 128 CG PRO A 8 -8.874 6.602 -1.661 1.00 0.00 C ATOM 129 CD PRO A 8 -8.710 8.086 -1.286 1.00 0.00 C ATOM 0 HA PRO A 8 -10.078 6.815 1.482 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.126 4.914 -0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.608 5.797 -0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.908 6.149 -1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.492 6.493 -2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.705 8.445 -1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.405 8.716 -1.841 1.00 0.00 H new ATOM 137 N PRO A 9 -8.166 5.187 2.185 1.00 0.00 N ATOM 138 CA PRO A 9 -7.075 4.586 2.971 1.00 0.00 C ATOM 139 C PRO A 9 -6.048 3.931 2.042 1.00 0.00 C ATOM 140 O PRO A 9 -6.351 3.004 1.320 1.00 0.00 O ATOM 141 CB PRO A 9 -7.788 3.548 3.842 1.00 0.00 C ATOM 142 CG PRO A 9 -9.120 3.220 3.129 1.00 0.00 C ATOM 143 CD PRO A 9 -9.420 4.402 2.188 1.00 0.00 C ATOM 0 HA PRO A 9 -6.518 5.311 3.565 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.178 2.652 3.956 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.970 3.940 4.843 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.040 2.289 2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.924 3.088 3.853 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.678 4.059 1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.261 4.995 2.548 1.00 0.00 H new ATOM 151 N ALA A 10 -4.839 4.418 2.052 1.00 0.00 N ATOM 152 CA ALA A 10 -3.785 3.841 1.168 1.00 0.00 C ATOM 153 C ALA A 10 -3.846 2.311 1.205 1.00 0.00 C ATOM 154 O ALA A 10 -3.564 1.649 0.227 1.00 0.00 O ATOM 155 CB ALA A 10 -2.411 4.307 1.649 1.00 0.00 C ATOM 0 H ALA A 10 -4.533 5.195 2.637 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.952 4.178 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.638 3.887 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.362 5.395 1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.251 3.971 2.674 1.00 0.00 H new ATOM 161 N ALA A 11 -4.203 1.744 2.324 1.00 0.00 N ATOM 162 CA ALA A 11 -4.270 0.257 2.417 1.00 0.00 C ATOM 163 C ALA A 11 -5.231 -0.289 1.357 1.00 0.00 C ATOM 164 O ALA A 11 -4.912 -1.211 0.632 1.00 0.00 O ATOM 165 CB ALA A 11 -4.765 -0.146 3.807 1.00 0.00 C ATOM 0 H ALA A 11 -4.451 2.244 3.177 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.276 -0.157 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.814 -1.233 3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.077 0.234 4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.757 0.273 3.976 1.00 0.00 H new ATOM 171 N VAL A 12 -6.408 0.265 1.267 1.00 0.00 N ATOM 172 CA VAL A 12 -7.395 -0.227 0.264 1.00 0.00 C ATOM 173 C VAL A 12 -6.768 -0.235 -1.135 1.00 0.00 C ATOM 174 O VAL A 12 -7.207 -0.950 -2.015 1.00 0.00 O ATOM 175 CB VAL A 12 -8.628 0.686 0.275 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.345 1.962 -0.521 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.812 -0.051 -0.354 1.00 0.00 C ATOM 0 H VAL A 12 -6.730 1.040 1.847 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.691 -1.244 0.521 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.864 0.953 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.227 2.603 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.504 2.491 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.102 1.702 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.689 0.596 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.568 -0.321 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.023 -0.955 0.218 1.00 0.00 H new ATOM 187 N LEU A 13 -5.755 0.558 -1.354 1.00 0.00 N ATOM 188 CA LEU A 13 -5.120 0.595 -2.703 1.00 0.00 C ATOM 189 C LEU A 13 -3.988 -0.433 -2.780 1.00 0.00 C ATOM 190 O LEU A 13 -3.762 -1.044 -3.807 1.00 0.00 O ATOM 191 CB LEU A 13 -4.552 1.992 -2.960 1.00 0.00 C ATOM 192 CG LEU A 13 -5.684 3.020 -2.917 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.111 4.396 -2.574 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.369 3.080 -4.285 1.00 0.00 C ATOM 0 H LEU A 13 -5.340 1.180 -0.660 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.871 0.357 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.799 2.233 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.056 2.022 -3.930 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.410 2.730 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.917 5.129 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.622 4.354 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.385 4.687 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.176 3.812 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.642 3.371 -5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.777 2.100 -4.531 1.00 0.00 H new ATOM 206 N LEU A 14 -3.267 -0.626 -1.710 1.00 0.00 N ATOM 207 CA LEU A 14 -2.146 -1.609 -1.736 1.00 0.00 C ATOM 208 C LEU A 14 -2.668 -2.981 -2.171 1.00 0.00 C ATOM 209 O LEU A 14 -2.389 -3.442 -3.260 1.00 0.00 O ATOM 210 CB LEU A 14 -1.520 -1.713 -0.341 1.00 0.00 C ATOM 211 CG LEU A 14 -1.221 -0.310 0.204 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.211 -0.414 1.348 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.632 0.565 -0.907 1.00 0.00 C ATOM 0 H LEU A 14 -3.405 -0.147 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.391 -1.273 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.198 -2.237 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.601 -2.298 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.147 0.138 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.003 0.582 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.625 -1.033 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.710 -0.865 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.422 1.560 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.292 0.116 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.346 0.642 -1.727 1.00 0.00 H new ATOM 225 N LYS A 15 -3.421 -3.639 -1.334 1.00 0.00 N ATOM 226 CA LYS A 15 -3.952 -4.981 -1.709 1.00 0.00 C ATOM 227 C LYS A 15 -4.557 -4.923 -3.113 1.00 0.00 C ATOM 228 O LYS A 15 -4.584 -5.905 -3.829 1.00 0.00 O ATOM 229 CB LYS A 15 -5.031 -5.404 -0.710 1.00 0.00 C ATOM 230 CG LYS A 15 -4.435 -6.387 0.298 1.00 0.00 C ATOM 231 CD LYS A 15 -4.766 -5.925 1.718 1.00 0.00 C ATOM 232 CE LYS A 15 -6.282 -5.800 1.872 1.00 0.00 C ATOM 233 NZ LYS A 15 -6.659 -4.359 1.912 1.00 0.00 N ATOM 0 H LYS A 15 -3.692 -3.307 -0.408 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.137 -5.705 -1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.425 -4.530 -0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.867 -5.867 -1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.834 -7.387 0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.355 -6.449 0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.373 -6.636 2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.289 -4.966 1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.785 -6.296 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.608 -6.298 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.944 -4.101 2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.845 -3.779 1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.452 -4.189 1.260 1.00 0.00 H new ATOM 247 N LYS A 16 -5.048 -3.782 -3.514 1.00 0.00 N ATOM 248 CA LYS A 16 -5.654 -3.666 -4.869 1.00 0.00 C ATOM 249 C LYS A 16 -4.601 -3.974 -5.936 1.00 0.00 C ATOM 250 O LYS A 16 -4.816 -4.778 -6.820 1.00 0.00 O ATOM 251 CB LYS A 16 -6.184 -2.245 -5.073 1.00 0.00 C ATOM 252 CG LYS A 16 -7.034 -2.198 -6.343 1.00 0.00 C ATOM 253 CD LYS A 16 -6.972 -0.795 -6.947 1.00 0.00 C ATOM 254 CE LYS A 16 -8.343 -0.420 -7.510 1.00 0.00 C ATOM 255 NZ LYS A 16 -8.753 0.908 -6.974 1.00 0.00 N ATOM 0 H LYS A 16 -5.055 -2.925 -2.961 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.475 -4.378 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.779 -1.940 -4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.354 -1.543 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.672 -2.932 -7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.066 -2.461 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.669 -0.074 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.221 -0.760 -7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.305 -0.389 -8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.079 -1.177 -7.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.686 1.164 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.805 0.863 -5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.055 1.626 -7.254 1.00 0.00 H new ATOM 269 N ALA A 17 -3.465 -3.337 -5.865 1.00 0.00 N ATOM 270 CA ALA A 17 -2.403 -3.593 -6.881 1.00 0.00 C ATOM 271 C ALA A 17 -1.848 -5.008 -6.705 1.00 0.00 C ATOM 272 O ALA A 17 -1.358 -5.612 -7.638 1.00 0.00 O ATOM 273 CB ALA A 17 -1.273 -2.577 -6.703 1.00 0.00 C ATOM 0 H ALA A 17 -3.225 -2.651 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.829 -3.495 -7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.496 -2.763 -7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.666 -1.569 -6.834 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.850 -2.674 -5.703 1.00 0.00 H new ATOM 279 N ALA A 18 -1.918 -5.545 -5.517 1.00 0.00 N ATOM 280 CA ALA A 18 -1.391 -6.919 -5.289 1.00 0.00 C ATOM 281 C ALA A 18 -2.246 -7.930 -6.057 1.00 0.00 C ATOM 282 O ALA A 18 -1.821 -9.034 -6.331 1.00 0.00 O ATOM 283 CB ALA A 18 -1.436 -7.239 -3.795 1.00 0.00 C ATOM 0 H ALA A 18 -2.317 -5.091 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.361 -6.977 -5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.051 -8.245 -3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.824 -6.520 -3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.465 -7.181 -3.441 1.00 0.00 H new ATOM 289 N GLY A 19 -3.447 -7.561 -6.405 1.00 0.00 N ATOM 290 CA GLY A 19 -4.326 -8.502 -7.155 1.00 0.00 C ATOM 291 C GLY A 19 -4.879 -9.561 -6.198 1.00 0.00 C ATOM 292 O GLY A 19 -5.415 -10.568 -6.616 1.00 0.00 O ATOM 0 H GLY A 19 -3.858 -6.650 -6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.146 -7.956 -7.622 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.764 -8.980 -7.957 1.00 0.00 H new ATOM 296 N ILE A 20 -4.753 -9.341 -4.919 1.00 0.00 N ATOM 297 CA ILE A 20 -5.272 -10.334 -3.936 1.00 0.00 C ATOM 298 C ILE A 20 -6.717 -9.982 -3.578 1.00 0.00 C ATOM 299 O ILE A 20 -7.654 -10.591 -4.058 1.00 0.00 O ATOM 300 CB ILE A 20 -4.392 -10.311 -2.677 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.136 -11.149 -2.922 1.00 0.00 C ATOM 302 CG2 ILE A 20 -5.159 -10.897 -1.487 1.00 0.00 C ATOM 303 CD1 ILE A 20 -2.204 -10.412 -3.884 1.00 0.00 C ATOM 0 H ILE A 20 -4.313 -8.516 -4.511 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.246 -11.334 -4.369 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.117 -9.280 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.624 -11.339 -1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.410 -12.119 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.526 -10.876 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.057 -10.306 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.441 -11.927 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.310 -11.012 -4.056 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.717 -10.245 -4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.919 -9.453 -3.452 1.00 0.00 H new ATOM 315 N GLU A 21 -6.905 -9.006 -2.736 1.00 0.00 N ATOM 316 CA GLU A 21 -8.288 -8.617 -2.345 1.00 0.00 C ATOM 317 C GLU A 21 -8.949 -9.779 -1.602 1.00 0.00 C ATOM 318 O GLU A 21 -8.789 -10.928 -1.961 1.00 0.00 O ATOM 319 CB GLU A 21 -9.099 -8.288 -3.601 1.00 0.00 C ATOM 320 CG GLU A 21 -10.242 -7.339 -3.237 1.00 0.00 C ATOM 321 CD GLU A 21 -9.902 -5.925 -3.709 1.00 0.00 C ATOM 322 OE1 GLU A 21 -10.107 -5.646 -4.879 1.00 0.00 O ATOM 323 OE2 GLU A 21 -9.440 -5.144 -2.894 1.00 0.00 O ATOM 0 H GLU A 21 -6.161 -8.460 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.252 -7.742 -1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.456 -7.829 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.498 -9.203 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.169 -7.675 -3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.404 -7.345 -2.159 1.00 0.00 H new ATOM 330 N SER A 22 -9.693 -9.492 -0.568 1.00 0.00 N ATOM 331 CA SER A 22 -10.363 -10.585 0.192 1.00 0.00 C ATOM 332 C SER A 22 -11.655 -10.985 -0.523 1.00 0.00 C ATOM 333 O SER A 22 -12.294 -11.957 -0.172 1.00 0.00 O ATOM 334 CB SER A 22 -10.692 -10.099 1.604 1.00 0.00 C ATOM 335 OG SER A 22 -11.241 -11.174 2.355 1.00 0.00 O ATOM 0 H SER A 22 -9.865 -8.550 -0.218 1.00 0.00 H new ATOM 0 HA SER A 22 -9.698 -11.446 0.251 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.792 -9.723 2.090 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.400 -9.272 1.560 1.00 0.00 H new ATOM 0 HG SER A 22 -11.701 -11.794 1.751 1.00 0.00 H new ATOM 341 N GLY A 23 -12.044 -10.243 -1.525 1.00 0.00 N ATOM 342 CA GLY A 23 -13.294 -10.583 -2.261 1.00 0.00 C ATOM 343 C GLY A 23 -13.031 -11.767 -3.193 1.00 0.00 C ATOM 344 O GLY A 23 -13.904 -12.572 -3.453 1.00 0.00 O ATOM 0 H GLY A 23 -11.550 -9.417 -1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.088 -10.831 -1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.635 -9.722 -2.836 1.00 0.00 H new ATOM 348 N SER A 24 -11.833 -11.881 -3.696 1.00 0.00 N ATOM 349 CA SER A 24 -11.511 -13.014 -4.609 1.00 0.00 C ATOM 350 C SER A 24 -10.441 -13.897 -3.961 1.00 0.00 C ATOM 351 O SER A 24 -9.471 -13.411 -3.414 1.00 0.00 O ATOM 352 CB SER A 24 -10.987 -12.465 -5.937 1.00 0.00 C ATOM 353 OG SER A 24 -10.636 -13.547 -6.789 1.00 0.00 O ATOM 0 H SER A 24 -11.062 -11.238 -3.514 1.00 0.00 H new ATOM 0 HA SER A 24 -12.409 -13.604 -4.791 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.747 -11.845 -6.412 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.120 -11.828 -5.763 1.00 0.00 H new ATOM 0 HG SER A 24 -10.302 -13.197 -7.641 1.00 0.00 H new ATOM 359 N GLY A 25 -10.610 -15.190 -4.015 1.00 0.00 N ATOM 360 CA GLY A 25 -9.601 -16.098 -3.398 1.00 0.00 C ATOM 361 C GLY A 25 -9.585 -17.433 -4.144 1.00 0.00 C ATOM 362 O GLY A 25 -9.540 -18.489 -3.546 1.00 0.00 O ATOM 0 H GLY A 25 -11.401 -15.656 -4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.613 -15.638 -3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.838 -16.261 -2.347 1.00 0.00 H new ATOM 366 N GLU A 26 -9.623 -17.396 -5.448 1.00 0.00 N ATOM 367 CA GLU A 26 -9.610 -18.663 -6.231 1.00 0.00 C ATOM 368 C GLU A 26 -8.505 -19.583 -5.695 1.00 0.00 C ATOM 369 O GLU A 26 -7.336 -19.282 -5.833 1.00 0.00 O ATOM 370 CB GLU A 26 -9.338 -18.345 -7.702 1.00 0.00 C ATOM 371 CG GLU A 26 -10.490 -17.508 -8.263 1.00 0.00 C ATOM 372 CD GLU A 26 -11.751 -18.370 -8.357 1.00 0.00 C ATOM 373 OE1 GLU A 26 -11.613 -19.565 -8.563 1.00 0.00 O ATOM 374 OE2 GLU A 26 -12.831 -17.821 -8.220 1.00 0.00 O ATOM 0 H GLU A 26 -9.663 -16.542 -6.005 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.575 -19.161 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.398 -17.802 -7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.234 -19.268 -8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.673 -16.646 -7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.227 -17.122 -9.248 1.00 0.00 H new ATOM 381 N PRO A 27 -8.905 -20.680 -5.096 1.00 0.00 N ATOM 382 CA PRO A 27 -7.961 -21.659 -4.528 1.00 0.00 C ATOM 383 C PRO A 27 -7.344 -22.518 -5.635 1.00 0.00 C ATOM 384 O PRO A 27 -8.037 -23.117 -6.432 1.00 0.00 O ATOM 385 CB PRO A 27 -8.836 -22.505 -3.598 1.00 0.00 C ATOM 386 CG PRO A 27 -10.290 -22.343 -4.099 1.00 0.00 C ATOM 387 CD PRO A 27 -10.327 -21.045 -4.928 1.00 0.00 C ATOM 0 HA PRO A 27 -7.123 -21.194 -4.009 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.531 -23.551 -3.623 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.742 -22.170 -2.565 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.589 -23.198 -4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.985 -22.288 -3.261 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -10.814 -21.201 -5.890 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.881 -20.260 -4.414 1.00 0.00 H new ATOM 395 N ASN A 28 -6.041 -22.580 -5.687 1.00 0.00 N ATOM 396 CA ASN A 28 -5.371 -23.397 -6.737 1.00 0.00 C ATOM 397 C ASN A 28 -4.122 -24.053 -6.145 1.00 0.00 C ATOM 398 O ASN A 28 -3.205 -24.419 -6.852 1.00 0.00 O ATOM 399 CB ASN A 28 -4.970 -22.496 -7.905 1.00 0.00 C ATOM 400 CG ASN A 28 -6.069 -21.460 -8.153 1.00 0.00 C ATOM 401 OD1 ASN A 28 -5.898 -20.294 -7.860 1.00 0.00 O ATOM 402 ND2 ASN A 28 -7.199 -21.842 -8.683 1.00 0.00 N ATOM 0 H ASN A 28 -5.411 -22.099 -5.046 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.055 -24.168 -7.093 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.027 -21.996 -7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.811 -23.095 -8.802 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.939 -21.161 -8.851 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.342 -22.822 -8.929 1.00 0.00 H new ATOM 409 N ARG A 29 -4.080 -24.203 -4.848 1.00 0.00 N ATOM 410 CA ARG A 29 -2.893 -24.832 -4.205 1.00 0.00 C ATOM 411 C ARG A 29 -1.702 -23.877 -4.289 1.00 0.00 C ATOM 412 O ARG A 29 -0.627 -24.244 -4.722 1.00 0.00 O ATOM 413 CB ARG A 29 -2.553 -26.140 -4.923 1.00 0.00 C ATOM 414 CG ARG A 29 -1.877 -27.099 -3.940 1.00 0.00 C ATOM 415 CD ARG A 29 -2.945 -27.864 -3.156 1.00 0.00 C ATOM 416 NE ARG A 29 -2.487 -29.263 -2.928 1.00 0.00 N ATOM 417 CZ ARG A 29 -3.114 -30.255 -3.497 1.00 0.00 C ATOM 418 NH1 ARG A 29 -3.507 -30.154 -4.736 1.00 0.00 N ATOM 419 NH2 ARG A 29 -3.350 -31.350 -2.826 1.00 0.00 N ATOM 0 H ARG A 29 -4.819 -23.916 -4.206 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.116 -25.042 -3.159 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.459 -26.593 -5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.893 -25.943 -5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.237 -27.797 -4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.237 -26.543 -3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.133 -27.372 -2.202 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.886 -27.863 -3.706 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.683 -29.445 -2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.324 -29.299 -5.261 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.997 -30.930 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.044 -31.430 -1.856 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.840 -32.125 -3.272 1.00 0.00 H new ATOM 433 N ASN A 30 -1.885 -22.651 -3.880 1.00 0.00 N ATOM 434 CA ASN A 30 -0.766 -21.668 -3.936 1.00 0.00 C ATOM 435 C ASN A 30 -0.777 -20.811 -2.669 1.00 0.00 C ATOM 436 O ASN A 30 -0.056 -21.071 -1.725 1.00 0.00 O ATOM 437 CB ASN A 30 -0.942 -20.767 -5.160 1.00 0.00 C ATOM 438 CG ASN A 30 0.158 -21.066 -6.181 1.00 0.00 C ATOM 439 OD1 ASN A 30 1.222 -20.480 -6.134 1.00 0.00 O ATOM 440 ND2 ASN A 30 -0.055 -21.957 -7.111 1.00 0.00 N ATOM 0 H ASN A 30 -2.763 -22.287 -3.509 1.00 0.00 H new ATOM 0 HA ASN A 30 0.183 -22.200 -4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.922 -20.932 -5.608 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.900 -19.719 -4.862 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.671 -22.161 -7.798 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.948 -22.449 -7.151 1.00 0.00 H new ATOM 447 N LYS A 31 -1.589 -19.792 -2.643 1.00 0.00 N ATOM 448 CA LYS A 31 -1.651 -18.915 -1.440 1.00 0.00 C ATOM 449 C LYS A 31 -0.427 -17.998 -1.416 1.00 0.00 C ATOM 450 O LYS A 31 0.437 -18.082 -2.264 1.00 0.00 O ATOM 451 CB LYS A 31 -1.670 -19.777 -0.175 1.00 0.00 C ATOM 452 CG LYS A 31 -2.689 -19.208 0.814 1.00 0.00 C ATOM 453 CD LYS A 31 -4.097 -19.357 0.234 1.00 0.00 C ATOM 454 CE LYS A 31 -5.122 -19.366 1.370 1.00 0.00 C ATOM 455 NZ LYS A 31 -6.025 -18.190 1.230 1.00 0.00 N ATOM 0 H LYS A 31 -2.214 -19.528 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.558 -18.311 -1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.927 -20.806 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.679 -19.798 0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.619 -19.732 1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.474 -18.158 1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.307 -18.537 -0.452 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.168 -20.280 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.702 -20.289 1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.614 -19.336 2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.723 -18.194 2.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.465 -17.315 1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.519 -18.239 0.316 1.00 0.00 H new ATOM 469 N VAL A 32 -0.352 -17.125 -0.449 1.00 0.00 N ATOM 470 CA VAL A 32 0.811 -16.195 -0.356 1.00 0.00 C ATOM 471 C VAL A 32 0.614 -15.031 -1.337 1.00 0.00 C ATOM 472 O VAL A 32 -0.146 -15.125 -2.281 1.00 0.00 O ATOM 473 CB VAL A 32 2.117 -16.961 -0.657 1.00 0.00 C ATOM 474 CG1 VAL A 32 2.593 -16.719 -2.098 1.00 0.00 C ATOM 475 CG2 VAL A 32 3.203 -16.494 0.313 1.00 0.00 C ATOM 0 H VAL A 32 -1.051 -17.015 0.286 1.00 0.00 H new ATOM 0 HA VAL A 32 0.881 -15.788 0.653 1.00 0.00 H new ATOM 0 HB VAL A 32 1.924 -18.027 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.515 -17.274 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.827 -17.057 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.776 -15.655 -2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.129 -17.030 0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.368 -15.424 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.887 -16.695 1.337 1.00 0.00 H new ATOM 485 N ALA A 33 1.290 -13.937 -1.118 1.00 0.00 N ATOM 486 CA ALA A 33 1.140 -12.772 -2.034 1.00 0.00 C ATOM 487 C ALA A 33 2.362 -11.861 -1.906 1.00 0.00 C ATOM 488 O ALA A 33 2.775 -11.511 -0.819 1.00 0.00 O ATOM 489 CB ALA A 33 -0.121 -11.991 -1.657 1.00 0.00 C ATOM 0 H ALA A 33 1.940 -13.800 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 33 1.058 -13.124 -3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.234 -11.138 -2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.992 -12.640 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.037 -11.638 -0.629 1.00 0.00 H new ATOM 495 N THR A 34 2.947 -11.475 -3.007 1.00 0.00 N ATOM 496 CA THR A 34 4.144 -10.589 -2.943 1.00 0.00 C ATOM 497 C THR A 34 3.835 -9.259 -3.636 1.00 0.00 C ATOM 498 O THR A 34 3.080 -9.203 -4.586 1.00 0.00 O ATOM 499 CB THR A 34 5.319 -11.270 -3.648 1.00 0.00 C ATOM 500 OG1 THR A 34 4.825 -12.279 -4.519 1.00 0.00 O ATOM 501 CG2 THR A 34 6.246 -11.899 -2.607 1.00 0.00 C ATOM 0 H THR A 34 2.648 -11.734 -3.947 1.00 0.00 H new ATOM 0 HA THR A 34 4.402 -10.403 -1.901 1.00 0.00 H new ATOM 0 HB THR A 34 5.875 -10.532 -4.225 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.576 -12.715 -4.973 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.083 -12.384 -3.110 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.624 -11.124 -1.940 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.694 -12.638 -2.027 1.00 0.00 H new ATOM 509 N ILE A 35 4.412 -8.187 -3.165 1.00 0.00 N ATOM 510 CA ILE A 35 4.151 -6.861 -3.797 1.00 0.00 C ATOM 511 C ILE A 35 5.481 -6.193 -4.155 1.00 0.00 C ATOM 512 O ILE A 35 6.213 -5.744 -3.296 1.00 0.00 O ATOM 513 CB ILE A 35 3.376 -5.973 -2.817 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.914 -6.417 -2.782 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.448 -4.512 -3.270 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.306 -6.278 -4.178 1.00 0.00 C ATOM 0 H ILE A 35 5.052 -8.171 -2.371 1.00 0.00 H new ATOM 0 HA ILE A 35 3.562 -7.000 -4.704 1.00 0.00 H new ATOM 0 HB ILE A 35 3.816 -6.065 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.845 -7.451 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.356 -5.811 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.895 -3.886 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.489 -4.191 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.011 -4.417 -4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.263 -6.595 -4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.362 -5.237 -4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.859 -6.903 -4.879 1.00 0.00 H new ATOM 528 N LYS A 36 5.795 -6.120 -5.421 1.00 0.00 N ATOM 529 CA LYS A 36 7.073 -5.476 -5.837 1.00 0.00 C ATOM 530 C LYS A 36 7.188 -4.101 -5.175 1.00 0.00 C ATOM 531 O LYS A 36 6.203 -3.500 -4.795 1.00 0.00 O ATOM 532 CB LYS A 36 7.091 -5.312 -7.360 1.00 0.00 C ATOM 533 CG LYS A 36 7.739 -6.542 -8.002 1.00 0.00 C ATOM 534 CD LYS A 36 7.944 -6.287 -9.498 1.00 0.00 C ATOM 535 CE LYS A 36 7.593 -7.552 -10.284 1.00 0.00 C ATOM 536 NZ LYS A 36 6.131 -7.821 -10.167 1.00 0.00 N ATOM 0 H LYS A 36 5.221 -6.479 -6.184 1.00 0.00 H new ATOM 0 HA LYS A 36 7.912 -6.100 -5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.075 -5.187 -7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.644 -4.413 -7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.695 -6.754 -7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.107 -7.418 -7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.318 -5.457 -9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.978 -6.001 -9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.868 -7.430 -11.332 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.161 -8.400 -9.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.787 -8.257 -11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.960 -8.467 -9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.626 -6.927 -10.003 1.00 0.00 H new ATOM 550 N ARG A 37 8.382 -3.595 -5.040 1.00 0.00 N ATOM 551 CA ARG A 37 8.558 -2.257 -4.408 1.00 0.00 C ATOM 552 C ARG A 37 8.340 -1.177 -5.463 1.00 0.00 C ATOM 553 O ARG A 37 7.880 -0.091 -5.171 1.00 0.00 O ATOM 554 CB ARG A 37 9.974 -2.139 -3.847 1.00 0.00 C ATOM 555 CG ARG A 37 9.938 -1.376 -2.520 1.00 0.00 C ATOM 556 CD ARG A 37 9.064 -2.130 -1.516 1.00 0.00 C ATOM 557 NE ARG A 37 9.311 -1.595 -0.148 1.00 0.00 N ATOM 558 CZ ARG A 37 10.533 -1.403 0.268 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.201 -0.356 -0.133 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.085 -2.257 1.084 1.00 0.00 N ATOM 0 H ARG A 37 9.244 -4.050 -5.340 1.00 0.00 H new ATOM 0 HA ARG A 37 7.838 -2.135 -3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.400 -3.131 -3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.616 -1.621 -4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.948 -1.265 -2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.545 -0.372 -2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.012 -2.019 -1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.290 -3.196 -1.548 1.00 0.00 H new ATOM 0 HE ARG A 37 8.524 -1.379 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.768 0.312 -0.771 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.156 -0.205 0.192 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.562 -3.075 1.397 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.040 -2.107 1.409 1.00 0.00 H new ATOM 574 N ASP A 38 8.669 -1.466 -6.689 1.00 0.00 N ATOM 575 CA ASP A 38 8.478 -0.456 -7.765 1.00 0.00 C ATOM 576 C ASP A 38 6.980 -0.234 -7.986 1.00 0.00 C ATOM 577 O ASP A 38 6.565 0.769 -8.530 1.00 0.00 O ATOM 578 CB ASP A 38 9.120 -0.954 -9.061 1.00 0.00 C ATOM 579 CG ASP A 38 8.691 -2.399 -9.321 1.00 0.00 C ATOM 580 OD1 ASP A 38 7.578 -2.741 -8.956 1.00 0.00 O ATOM 581 OD2 ASP A 38 9.484 -3.139 -9.880 1.00 0.00 O ATOM 0 H ASP A 38 9.062 -2.357 -6.993 1.00 0.00 H new ATOM 0 HA ASP A 38 8.948 0.482 -7.472 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.821 -0.319 -9.895 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.206 -0.893 -8.988 1.00 0.00 H new ATOM 586 N LYS A 39 6.166 -1.164 -7.565 1.00 0.00 N ATOM 587 CA LYS A 39 4.694 -1.007 -7.749 1.00 0.00 C ATOM 588 C LYS A 39 4.086 -0.395 -6.486 1.00 0.00 C ATOM 589 O LYS A 39 3.386 0.597 -6.540 1.00 0.00 O ATOM 590 CB LYS A 39 4.060 -2.376 -8.004 1.00 0.00 C ATOM 591 CG LYS A 39 3.161 -2.297 -9.239 1.00 0.00 C ATOM 592 CD LYS A 39 4.026 -2.179 -10.497 1.00 0.00 C ATOM 593 CE LYS A 39 3.868 -3.442 -11.346 1.00 0.00 C ATOM 594 NZ LYS A 39 4.622 -3.283 -12.621 1.00 0.00 N ATOM 0 H LYS A 39 6.456 -2.025 -7.102 1.00 0.00 H new ATOM 0 HA LYS A 39 4.504 -0.354 -8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.836 -3.127 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.478 -2.687 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.531 -3.185 -9.300 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.494 -1.438 -9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.731 -1.302 -11.073 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.071 -2.042 -10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.238 -4.309 -10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.814 -3.623 -11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.514 -4.142 -13.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.250 -2.465 -13.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.629 -3.131 -12.412 1.00 0.00 H new ATOM 608 N VAL A 40 4.345 -0.981 -5.349 1.00 0.00 N ATOM 609 CA VAL A 40 3.781 -0.437 -4.082 1.00 0.00 C ATOM 610 C VAL A 40 4.223 1.023 -3.922 1.00 0.00 C ATOM 611 O VAL A 40 3.495 1.856 -3.421 1.00 0.00 O ATOM 612 CB VAL A 40 4.273 -1.302 -2.902 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.444 -0.630 -2.170 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.121 -1.520 -1.920 1.00 0.00 C ATOM 0 H VAL A 40 4.924 -1.814 -5.243 1.00 0.00 H new ATOM 0 HA VAL A 40 2.692 -0.466 -4.102 1.00 0.00 H new ATOM 0 HB VAL A 40 4.619 -2.257 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.768 -1.263 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.272 -0.486 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.124 0.337 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.465 -2.131 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.774 -0.557 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.301 -2.028 -2.428 1.00 0.00 H new ATOM 624 N ARG A 41 5.417 1.329 -4.348 1.00 0.00 N ATOM 625 CA ARG A 41 5.926 2.724 -4.228 1.00 0.00 C ATOM 626 C ARG A 41 5.113 3.646 -5.141 1.00 0.00 C ATOM 627 O ARG A 41 4.840 4.783 -4.807 1.00 0.00 O ATOM 628 CB ARG A 41 7.399 2.764 -4.640 1.00 0.00 C ATOM 629 CG ARG A 41 7.867 4.217 -4.734 1.00 0.00 C ATOM 630 CD ARG A 41 8.001 4.617 -6.204 1.00 0.00 C ATOM 631 NE ARG A 41 9.443 4.701 -6.567 1.00 0.00 N ATOM 632 CZ ARG A 41 9.869 5.678 -7.319 1.00 0.00 C ATOM 633 NH1 ARG A 41 9.149 6.086 -8.328 1.00 0.00 N ATOM 634 NH2 ARG A 41 11.015 6.246 -7.064 1.00 0.00 N ATOM 0 H ARG A 41 6.066 0.669 -4.777 1.00 0.00 H new ATOM 0 HA ARG A 41 5.828 3.060 -3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.005 2.223 -3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.532 2.266 -5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.156 4.872 -4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.824 4.335 -4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.498 3.887 -6.838 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.515 5.577 -6.376 1.00 0.00 H new ATOM 0 HE ARG A 41 10.097 3.995 -6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.253 5.641 -8.528 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.482 6.850 -8.916 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.579 5.926 -6.276 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.348 7.010 -7.652 1.00 0.00 H new ATOM 648 N GLU A 42 4.725 3.168 -6.291 1.00 0.00 N ATOM 649 CA GLU A 42 3.932 4.022 -7.220 1.00 0.00 C ATOM 650 C GLU A 42 2.602 4.387 -6.560 1.00 0.00 C ATOM 651 O GLU A 42 2.172 5.524 -6.595 1.00 0.00 O ATOM 652 CB GLU A 42 3.664 3.259 -8.520 1.00 0.00 C ATOM 653 CG GLU A 42 3.924 4.180 -9.713 1.00 0.00 C ATOM 654 CD GLU A 42 5.357 3.981 -10.209 1.00 0.00 C ATOM 655 OE1 GLU A 42 6.263 4.087 -9.401 1.00 0.00 O ATOM 656 OE2 GLU A 42 5.523 3.725 -11.391 1.00 0.00 O ATOM 0 H GLU A 42 4.922 2.225 -6.627 1.00 0.00 H new ATOM 0 HA GLU A 42 4.491 4.930 -7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.307 2.381 -8.578 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.634 2.902 -8.540 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.217 3.963 -10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.769 5.219 -9.424 1.00 0.00 H new ATOM 663 N ILE A 43 1.947 3.435 -5.956 1.00 0.00 N ATOM 664 CA ILE A 43 0.647 3.732 -5.293 1.00 0.00 C ATOM 665 C ILE A 43 0.852 4.828 -4.247 1.00 0.00 C ATOM 666 O ILE A 43 0.195 5.851 -4.266 1.00 0.00 O ATOM 667 CB ILE A 43 0.121 2.470 -4.608 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.051 1.360 -5.649 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.229 2.768 -3.955 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.011 -0.003 -4.955 1.00 0.00 C ATOM 0 H ILE A 43 2.256 2.465 -5.893 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.073 4.066 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 43 0.830 2.148 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.997 1.484 -6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.740 1.422 -6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.604 1.868 -3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.108 3.559 -3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.939 3.090 -4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.133 -0.793 -5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.947 -0.126 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.818 -0.063 -4.224 1.00 0.00 H new ATOM 682 N ALA A 44 1.759 4.623 -3.331 1.00 0.00 N ATOM 683 CA ALA A 44 2.008 5.653 -2.283 1.00 0.00 C ATOM 684 C ALA A 44 2.407 6.971 -2.948 1.00 0.00 C ATOM 685 O ALA A 44 2.203 8.038 -2.404 1.00 0.00 O ATOM 686 CB ALA A 44 3.136 5.181 -1.364 1.00 0.00 C ATOM 0 H ALA A 44 2.338 3.786 -3.263 1.00 0.00 H new ATOM 0 HA ALA A 44 1.101 5.803 -1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.319 5.933 -0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.850 4.242 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.043 5.031 -1.949 1.00 0.00 H new ATOM 692 N GLU A 45 2.975 6.907 -4.122 1.00 0.00 N ATOM 693 CA GLU A 45 3.384 8.159 -4.819 1.00 0.00 C ATOM 694 C GLU A 45 2.137 8.879 -5.336 1.00 0.00 C ATOM 695 O GLU A 45 2.080 10.092 -5.374 1.00 0.00 O ATOM 696 CB GLU A 45 4.302 7.812 -5.994 1.00 0.00 C ATOM 697 CG GLU A 45 4.943 9.091 -6.538 1.00 0.00 C ATOM 698 CD GLU A 45 5.573 8.806 -7.903 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.992 8.042 -8.655 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.628 9.358 -8.172 1.00 0.00 O ATOM 0 H GLU A 45 3.173 6.043 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 45 3.917 8.808 -4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.075 7.114 -5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.732 7.316 -6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.192 9.876 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.701 9.454 -5.844 1.00 0.00 H new ATOM 707 N LEU A 46 1.137 8.141 -5.732 1.00 0.00 N ATOM 708 CA LEU A 46 -0.108 8.782 -6.242 1.00 0.00 C ATOM 709 C LEU A 46 -0.851 9.433 -5.073 1.00 0.00 C ATOM 710 O LEU A 46 -1.462 10.474 -5.213 1.00 0.00 O ATOM 711 CB LEU A 46 -1.000 7.722 -6.891 1.00 0.00 C ATOM 712 CG LEU A 46 -0.392 7.293 -8.227 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.949 5.927 -8.628 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.750 8.321 -9.302 1.00 0.00 C ATOM 0 H LEU A 46 1.128 7.121 -5.725 1.00 0.00 H new ATOM 0 HA LEU A 46 0.145 9.540 -6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.099 6.860 -6.231 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.002 8.121 -7.047 1.00 0.00 H new ATOM 0 HG LEU A 46 0.692 7.229 -8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.515 5.622 -9.580 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.697 5.193 -7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.033 5.991 -8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.317 8.017 -10.255 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.834 8.384 -9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.354 9.296 -9.019 1.00 0.00 H new ATOM 726 N LYS A 47 -0.795 8.828 -3.920 1.00 0.00 N ATOM 727 CA LYS A 47 -1.488 9.407 -2.736 1.00 0.00 C ATOM 728 C LYS A 47 -0.447 10.021 -1.801 1.00 0.00 C ATOM 729 O LYS A 47 -0.645 10.123 -0.607 1.00 0.00 O ATOM 730 CB LYS A 47 -2.250 8.301 -2.005 1.00 0.00 C ATOM 731 CG LYS A 47 -3.203 7.613 -2.983 1.00 0.00 C ATOM 732 CD LYS A 47 -4.631 8.093 -2.722 1.00 0.00 C ATOM 733 CE LYS A 47 -5.192 7.369 -1.497 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.908 8.170 -0.274 1.00 0.00 N ATOM 0 H LYS A 47 -0.298 7.955 -3.746 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.191 10.177 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.551 7.575 -1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.809 8.720 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.914 7.838 -4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.144 6.531 -2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.640 9.171 -2.558 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.257 7.898 -3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.267 7.223 -1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.743 6.379 -1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.705 8.085 0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.041 7.816 0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.780 9.168 -0.535 1.00 0.00 H new ATOM 748 N MET A 48 0.666 10.428 -2.341 1.00 0.00 N ATOM 749 CA MET A 48 1.736 11.035 -1.502 1.00 0.00 C ATOM 750 C MET A 48 1.238 12.339 -0.865 1.00 0.00 C ATOM 751 O MET A 48 1.371 12.528 0.328 1.00 0.00 O ATOM 752 CB MET A 48 2.954 11.330 -2.375 1.00 0.00 C ATOM 753 CG MET A 48 4.212 10.771 -1.708 1.00 0.00 C ATOM 754 SD MET A 48 5.562 11.966 -1.867 1.00 0.00 S ATOM 755 CE MET A 48 5.054 13.063 -0.522 1.00 0.00 C ATOM 0 H MET A 48 0.883 10.366 -3.336 1.00 0.00 H new ATOM 0 HA MET A 48 2.006 10.336 -0.710 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.824 10.883 -3.361 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.056 12.405 -2.523 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.017 10.564 -0.656 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.493 9.825 -2.172 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.651 13.975 -0.551 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.000 13.315 -0.637 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.205 12.561 0.434 1.00 0.00 H new ATOM 765 N PRO A 49 0.686 13.206 -1.678 1.00 0.00 N ATOM 766 CA PRO A 49 0.171 14.504 -1.212 1.00 0.00 C ATOM 767 C PRO A 49 -1.176 14.322 -0.507 1.00 0.00 C ATOM 768 O PRO A 49 -1.794 15.273 -0.071 1.00 0.00 O ATOM 769 CB PRO A 49 0.021 15.317 -2.502 1.00 0.00 C ATOM 770 CG PRO A 49 -0.080 14.291 -3.656 1.00 0.00 C ATOM 771 CD PRO A 49 0.519 12.973 -3.128 1.00 0.00 C ATOM 0 HA PRO A 49 0.823 14.992 -0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.868 15.946 -2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.875 15.980 -2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.117 14.151 -3.960 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.465 14.640 -4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.143 12.129 -3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.472 12.748 -3.608 1.00 0.00 H new ATOM 779 N ASP A 50 -1.626 13.105 -0.382 1.00 0.00 N ATOM 780 CA ASP A 50 -2.923 12.855 0.306 1.00 0.00 C ATOM 781 C ASP A 50 -2.667 12.024 1.566 1.00 0.00 C ATOM 782 O ASP A 50 -3.543 11.836 2.386 1.00 0.00 O ATOM 783 CB ASP A 50 -3.862 12.093 -0.631 1.00 0.00 C ATOM 784 CG ASP A 50 -4.409 13.048 -1.692 1.00 0.00 C ATOM 785 OD1 ASP A 50 -5.114 13.974 -1.322 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.114 12.840 -2.857 1.00 0.00 O ATOM 0 H ASP A 50 -1.151 12.271 -0.727 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.384 13.804 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.329 11.270 -1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.683 11.655 -0.063 1.00 0.00 H new ATOM 791 N LEU A 51 -1.469 11.529 1.725 1.00 0.00 N ATOM 792 CA LEU A 51 -1.150 10.713 2.930 1.00 0.00 C ATOM 793 C LEU A 51 -0.463 11.597 3.970 1.00 0.00 C ATOM 794 O LEU A 51 0.091 11.117 4.940 1.00 0.00 O ATOM 795 CB LEU A 51 -0.207 9.573 2.537 1.00 0.00 C ATOM 796 CG LEU A 51 -1.014 8.295 2.305 1.00 0.00 C ATOM 797 CD1 LEU A 51 -2.094 8.557 1.254 1.00 0.00 C ATOM 798 CD2 LEU A 51 -0.080 7.189 1.809 1.00 0.00 C ATOM 0 H LEU A 51 -0.697 11.655 1.071 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.070 10.301 3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.342 9.837 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.531 9.411 3.323 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.483 7.986 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.669 7.646 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.758 9.347 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.625 8.865 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.653 6.277 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.387 7.499 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.691 7.002 2.556 1.00 0.00 H new ATOM 810 N ASN A 52 -0.485 12.888 3.775 1.00 0.00 N ATOM 811 CA ASN A 52 0.177 13.795 4.751 1.00 0.00 C ATOM 812 C ASN A 52 1.679 13.509 4.758 1.00 0.00 C ATOM 813 O ASN A 52 2.399 13.928 5.643 1.00 0.00 O ATOM 814 CB ASN A 52 -0.397 13.549 6.148 1.00 0.00 C ATOM 815 CG ASN A 52 -0.985 14.850 6.696 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.833 15.898 6.100 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.658 14.827 7.814 1.00 0.00 N ATOM 0 H ASN A 52 -0.932 13.351 2.984 1.00 0.00 H new ATOM 0 HA ASN A 52 0.001 14.833 4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.167 12.779 6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.384 13.182 6.814 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.056 15.689 8.187 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.786 13.947 8.314 1.00 0.00 H new ATOM 824 N ALA A 53 2.157 12.793 3.777 1.00 0.00 N ATOM 825 CA ALA A 53 3.609 12.470 3.722 1.00 0.00 C ATOM 826 C ALA A 53 4.363 13.604 3.022 1.00 0.00 C ATOM 827 O ALA A 53 3.963 14.075 1.976 1.00 0.00 O ATOM 828 CB ALA A 53 3.807 11.170 2.943 1.00 0.00 C ATOM 0 H ALA A 53 1.601 12.417 3.009 1.00 0.00 H new ATOM 0 HA ALA A 53 3.994 12.353 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.869 10.930 2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.272 10.362 3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.421 11.290 1.931 1.00 0.00 H new ATOM 834 N ALA A 54 5.453 14.041 3.590 1.00 0.00 N ATOM 835 CA ALA A 54 6.235 15.139 2.955 1.00 0.00 C ATOM 836 C ALA A 54 7.066 14.568 1.804 1.00 0.00 C ATOM 837 O ALA A 54 7.442 15.270 0.887 1.00 0.00 O ATOM 838 CB ALA A 54 7.165 15.771 3.992 1.00 0.00 C ATOM 0 H ALA A 54 5.836 13.685 4.466 1.00 0.00 H new ATOM 0 HA ALA A 54 5.553 15.898 2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.737 16.574 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.573 16.176 4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.849 15.014 4.376 1.00 0.00 H new ATOM 844 N SER A 55 7.354 13.295 1.848 1.00 0.00 N ATOM 845 CA SER A 55 8.159 12.673 0.758 1.00 0.00 C ATOM 846 C SER A 55 7.767 11.201 0.613 1.00 0.00 C ATOM 847 O SER A 55 6.932 10.697 1.337 1.00 0.00 O ATOM 848 CB SER A 55 9.646 12.771 1.102 1.00 0.00 C ATOM 849 OG SER A 55 9.792 12.948 2.504 1.00 0.00 O ATOM 0 H SER A 55 7.066 12.659 2.592 1.00 0.00 H new ATOM 0 HA SER A 55 7.967 13.196 -0.179 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.166 11.868 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.100 13.606 0.569 1.00 0.00 H new ATOM 0 HG SER A 55 10.744 13.010 2.729 1.00 0.00 H new ATOM 855 N ILE A 56 8.365 10.506 -0.316 1.00 0.00 N ATOM 856 CA ILE A 56 8.026 9.067 -0.503 1.00 0.00 C ATOM 857 C ILE A 56 8.528 8.269 0.698 1.00 0.00 C ATOM 858 O ILE A 56 7.819 7.461 1.259 1.00 0.00 O ATOM 859 CB ILE A 56 8.694 8.540 -1.771 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.423 9.501 -2.931 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.126 7.161 -2.112 1.00 0.00 C ATOM 862 CD1 ILE A 56 6.918 9.576 -3.187 1.00 0.00 C ATOM 0 H ILE A 56 9.073 10.872 -0.953 1.00 0.00 H new ATOM 0 HA ILE A 56 6.945 8.960 -0.592 1.00 0.00 H new ATOM 0 HB ILE A 56 9.769 8.462 -1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.813 10.491 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.939 9.160 -3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.603 6.785 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.319 6.474 -1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.051 7.240 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.723 10.260 -4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.542 8.585 -3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.414 9.937 -2.290 1.00 0.00 H new ATOM 874 N GLU A 57 9.748 8.489 1.102 1.00 0.00 N ATOM 875 CA GLU A 57 10.284 7.740 2.272 1.00 0.00 C ATOM 876 C GLU A 57 9.238 7.739 3.389 1.00 0.00 C ATOM 877 O GLU A 57 9.211 6.862 4.228 1.00 0.00 O ATOM 878 CB GLU A 57 11.564 8.415 2.769 1.00 0.00 C ATOM 879 CG GLU A 57 12.728 8.039 1.851 1.00 0.00 C ATOM 880 CD GLU A 57 13.167 6.602 2.142 1.00 0.00 C ATOM 881 OE1 GLU A 57 12.448 5.917 2.851 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.213 6.212 1.652 1.00 0.00 O ATOM 0 H GLU A 57 10.395 9.152 0.675 1.00 0.00 H new ATOM 0 HA GLU A 57 10.509 6.714 1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.434 9.497 2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.778 8.104 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.427 8.134 0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.562 8.723 2.006 1.00 0.00 H new ATOM 889 N ALA A 58 8.377 8.721 3.403 1.00 0.00 N ATOM 890 CA ALA A 58 7.330 8.783 4.461 1.00 0.00 C ATOM 891 C ALA A 58 6.077 8.039 3.990 1.00 0.00 C ATOM 892 O ALA A 58 5.394 7.402 4.768 1.00 0.00 O ATOM 893 CB ALA A 58 6.982 10.247 4.742 1.00 0.00 C ATOM 0 H ALA A 58 8.354 9.484 2.726 1.00 0.00 H new ATOM 0 HA ALA A 58 7.704 8.315 5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.216 10.297 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.874 10.775 5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.608 10.713 3.831 1.00 0.00 H new ATOM 899 N ALA A 59 5.764 8.112 2.722 1.00 0.00 N ATOM 900 CA ALA A 59 4.551 7.404 2.214 1.00 0.00 C ATOM 901 C ALA A 59 4.827 5.899 2.153 1.00 0.00 C ATOM 902 O ALA A 59 4.186 5.110 2.822 1.00 0.00 O ATOM 903 CB ALA A 59 4.208 7.920 0.814 1.00 0.00 C ATOM 0 H ALA A 59 6.293 8.629 2.019 1.00 0.00 H new ATOM 0 HA ALA A 59 3.712 7.591 2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.323 7.404 0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.011 8.991 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.046 7.733 0.142 1.00 0.00 H new ATOM 909 N MET A 60 5.777 5.491 1.358 1.00 0.00 N ATOM 910 CA MET A 60 6.091 4.040 1.267 1.00 0.00 C ATOM 911 C MET A 60 6.149 3.458 2.679 1.00 0.00 C ATOM 912 O MET A 60 5.906 2.287 2.890 1.00 0.00 O ATOM 913 CB MET A 60 7.443 3.848 0.580 1.00 0.00 C ATOM 914 CG MET A 60 7.219 3.521 -0.898 1.00 0.00 C ATOM 915 SD MET A 60 8.786 3.675 -1.791 1.00 0.00 S ATOM 916 CE MET A 60 9.732 2.499 -0.794 1.00 0.00 C ATOM 0 H MET A 60 6.347 6.098 0.770 1.00 0.00 H new ATOM 0 HA MET A 60 5.321 3.532 0.687 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.044 4.752 0.677 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.998 3.043 1.062 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.826 2.510 -1.003 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.477 4.197 -1.323 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.623 2.191 -1.342 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.027 2.971 0.143 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.117 1.625 -0.581 1.00 0.00 H new ATOM 926 N ARG A 61 6.460 4.274 3.652 1.00 0.00 N ATOM 927 CA ARG A 61 6.524 3.771 5.052 1.00 0.00 C ATOM 928 C ARG A 61 5.174 3.160 5.418 1.00 0.00 C ATOM 929 O ARG A 61 5.089 2.029 5.853 1.00 0.00 O ATOM 930 CB ARG A 61 6.836 4.933 5.999 1.00 0.00 C ATOM 931 CG ARG A 61 7.757 4.446 7.119 1.00 0.00 C ATOM 932 CD ARG A 61 7.141 4.796 8.474 1.00 0.00 C ATOM 933 NE ARG A 61 8.049 5.722 9.207 1.00 0.00 N ATOM 934 CZ ARG A 61 8.060 5.727 10.512 1.00 0.00 C ATOM 935 NH1 ARG A 61 8.290 4.622 11.168 1.00 0.00 N ATOM 936 NH2 ARG A 61 7.840 6.836 11.162 1.00 0.00 N ATOM 0 H ARG A 61 6.672 5.265 3.536 1.00 0.00 H new ATOM 0 HA ARG A 61 7.307 3.018 5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.312 5.746 5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.913 5.331 6.420 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.903 3.369 7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.739 4.909 7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.166 5.262 8.333 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.980 3.890 9.058 1.00 0.00 H new ATOM 0 HE ARG A 61 8.662 6.352 8.689 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.461 3.754 10.661 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.298 4.627 12.188 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.659 7.700 10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.849 6.840 12.182 1.00 0.00 H new ATOM 950 N MET A 62 4.116 3.897 5.235 1.00 0.00 N ATOM 951 CA MET A 62 2.768 3.359 5.561 1.00 0.00 C ATOM 952 C MET A 62 2.437 2.219 4.594 1.00 0.00 C ATOM 953 O MET A 62 1.562 1.415 4.842 1.00 0.00 O ATOM 954 CB MET A 62 1.723 4.469 5.420 1.00 0.00 C ATOM 955 CG MET A 62 2.175 5.703 6.205 1.00 0.00 C ATOM 956 SD MET A 62 1.057 7.083 5.851 1.00 0.00 S ATOM 957 CE MET A 62 2.255 8.127 4.985 1.00 0.00 C ATOM 0 H MET A 62 4.127 4.851 4.873 1.00 0.00 H new ATOM 0 HA MET A 62 2.760 2.987 6.586 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.588 4.724 4.369 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.758 4.123 5.791 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.177 5.487 7.273 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.196 5.968 5.931 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.108 9.167 5.276 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.266 7.816 5.248 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.113 8.028 3.909 1.00 0.00 H new ATOM 967 N ILE A 63 3.134 2.145 3.491 1.00 0.00 N ATOM 968 CA ILE A 63 2.861 1.057 2.505 1.00 0.00 C ATOM 969 C ILE A 63 3.478 -0.255 3.002 1.00 0.00 C ATOM 970 O ILE A 63 2.951 -1.323 2.767 1.00 0.00 O ATOM 971 CB ILE A 63 3.460 1.445 1.145 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.487 2.372 0.414 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.694 0.196 0.289 1.00 0.00 C ATOM 974 CD1 ILE A 63 2.460 3.736 1.105 1.00 0.00 C ATOM 0 H ILE A 63 3.880 2.790 3.230 1.00 0.00 H new ATOM 0 HA ILE A 63 1.785 0.919 2.396 1.00 0.00 H new ATOM 0 HB ILE A 63 4.412 1.949 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.790 2.486 -0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.488 1.936 0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.119 0.488 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.384 -0.473 0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.746 -0.316 0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.766 4.395 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.136 3.614 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.458 4.173 1.087 1.00 0.00 H new ATOM 986 N GLU A 64 4.588 -0.190 3.683 1.00 0.00 N ATOM 987 CA GLU A 64 5.223 -1.441 4.184 1.00 0.00 C ATOM 988 C GLU A 64 4.620 -1.811 5.539 1.00 0.00 C ATOM 989 O GLU A 64 4.523 -2.971 5.892 1.00 0.00 O ATOM 990 CB GLU A 64 6.729 -1.228 4.336 1.00 0.00 C ATOM 991 CG GLU A 64 7.415 -2.578 4.544 1.00 0.00 C ATOM 992 CD GLU A 64 8.844 -2.513 4.003 1.00 0.00 C ATOM 993 OE1 GLU A 64 9.498 -1.509 4.233 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.261 -3.468 3.367 1.00 0.00 O ATOM 0 H GLU A 64 5.082 0.672 3.914 1.00 0.00 H new ATOM 0 HA GLU A 64 5.043 -2.248 3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.129 -0.737 3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.931 -0.571 5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.427 -2.832 5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.857 -3.364 4.034 1.00 0.00 H new ATOM 1001 N GLY A 65 4.208 -0.836 6.302 1.00 0.00 N ATOM 1002 CA GLY A 65 3.607 -1.133 7.631 1.00 0.00 C ATOM 1003 C GLY A 65 2.150 -1.551 7.439 1.00 0.00 C ATOM 1004 O GLY A 65 1.614 -2.339 8.192 1.00 0.00 O ATOM 0 H GLY A 65 4.262 0.154 6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.164 -1.928 8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.665 -0.255 8.274 1.00 0.00 H new ATOM 1008 N THR A 66 1.505 -1.027 6.433 1.00 0.00 N ATOM 1009 CA THR A 66 0.082 -1.393 6.185 1.00 0.00 C ATOM 1010 C THR A 66 0.024 -2.605 5.256 1.00 0.00 C ATOM 1011 O THR A 66 -0.835 -3.455 5.380 1.00 0.00 O ATOM 1012 CB THR A 66 -0.641 -0.214 5.530 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.748 0.851 6.464 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.038 -0.650 5.089 1.00 0.00 C ATOM 0 H THR A 66 1.903 -0.360 5.771 1.00 0.00 H new ATOM 0 HA THR A 66 -0.402 -1.636 7.131 1.00 0.00 H new ATOM 0 HB THR A 66 -0.076 0.120 4.660 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.028 1.497 6.307 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.551 0.191 4.623 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.955 -1.467 4.372 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.605 -0.985 5.957 1.00 0.00 H new ATOM 1022 N ALA A 67 0.932 -2.689 4.322 1.00 0.00 N ATOM 1023 CA ALA A 67 0.930 -3.845 3.382 1.00 0.00 C ATOM 1024 C ALA A 67 1.574 -5.055 4.064 1.00 0.00 C ATOM 1025 O ALA A 67 1.218 -6.187 3.807 1.00 0.00 O ATOM 1026 CB ALA A 67 1.727 -3.481 2.127 1.00 0.00 C ATOM 0 H ALA A 67 1.675 -2.007 4.170 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.095 -4.088 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.727 -4.326 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.270 -2.618 1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.753 -3.240 2.405 1.00 0.00 H new ATOM 1032 N ARG A 68 2.520 -4.823 4.931 1.00 0.00 N ATOM 1033 CA ARG A 68 3.186 -5.959 5.625 1.00 0.00 C ATOM 1034 C ARG A 68 2.376 -6.354 6.861 1.00 0.00 C ATOM 1035 O ARG A 68 2.602 -7.387 7.459 1.00 0.00 O ATOM 1036 CB ARG A 68 4.593 -5.537 6.054 1.00 0.00 C ATOM 1037 CG ARG A 68 5.406 -6.776 6.427 1.00 0.00 C ATOM 1038 CD ARG A 68 5.688 -6.769 7.931 1.00 0.00 C ATOM 1039 NE ARG A 68 6.903 -5.953 8.204 1.00 0.00 N ATOM 1040 CZ ARG A 68 8.014 -6.536 8.563 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.510 -7.500 7.836 1.00 0.00 N ATOM 1042 NH2 ARG A 68 8.629 -6.158 9.650 1.00 0.00 N ATOM 0 H ARG A 68 2.860 -3.896 5.188 1.00 0.00 H new ATOM 0 HA ARG A 68 3.249 -6.810 4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.084 -4.997 5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.537 -4.857 6.904 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.859 -7.678 6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.343 -6.790 5.871 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.834 -6.360 8.470 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.833 -7.788 8.289 1.00 0.00 H new ATOM 0 HE ARG A 68 6.867 -4.938 8.110 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.029 -7.798 6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.378 -7.956 8.117 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.241 -5.406 10.220 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.497 -6.614 9.930 1.00 0.00 H new ATOM 1056 N SER A 69 1.433 -5.539 7.250 1.00 0.00 N ATOM 1057 CA SER A 69 0.611 -5.873 8.448 1.00 0.00 C ATOM 1058 C SER A 69 -0.548 -6.784 8.039 1.00 0.00 C ATOM 1059 O SER A 69 -1.293 -7.266 8.868 1.00 0.00 O ATOM 1060 CB SER A 69 0.053 -4.586 9.057 1.00 0.00 C ATOM 1061 OG SER A 69 -0.529 -3.794 8.030 1.00 0.00 O ATOM 0 H SER A 69 1.197 -4.659 6.792 1.00 0.00 H new ATOM 0 HA SER A 69 1.234 -6.386 9.181 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.693 -4.823 9.816 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.848 -4.031 9.554 1.00 0.00 H new ATOM 0 HG SER A 69 -0.600 -4.324 7.209 1.00 0.00 H new ATOM 1067 N MET A 70 -0.707 -7.025 6.766 1.00 0.00 N ATOM 1068 CA MET A 70 -1.820 -7.902 6.310 1.00 0.00 C ATOM 1069 C MET A 70 -1.249 -9.210 5.757 1.00 0.00 C ATOM 1070 O MET A 70 -1.939 -9.981 5.121 1.00 0.00 O ATOM 1071 CB MET A 70 -2.616 -7.185 5.218 1.00 0.00 C ATOM 1072 CG MET A 70 -3.290 -5.947 5.811 1.00 0.00 C ATOM 1073 SD MET A 70 -4.429 -5.237 4.598 1.00 0.00 S ATOM 1074 CE MET A 70 -3.464 -3.750 4.229 1.00 0.00 C ATOM 0 H MET A 70 -0.115 -6.653 6.024 1.00 0.00 H new ATOM 0 HA MET A 70 -2.477 -8.124 7.151 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.955 -6.896 4.401 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.366 -7.856 4.799 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.830 -6.214 6.719 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.537 -5.211 6.093 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.964 -3.177 3.448 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.377 -3.140 5.128 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.469 -4.037 3.888 1.00 0.00 H new ATOM 1084 N GLY A 71 0.007 -9.468 5.998 1.00 0.00 N ATOM 1085 CA GLY A 71 0.621 -10.729 5.491 1.00 0.00 C ATOM 1086 C GLY A 71 1.219 -10.494 4.102 1.00 0.00 C ATOM 1087 O GLY A 71 2.027 -11.268 3.628 1.00 0.00 O ATOM 0 H GLY A 71 0.635 -8.860 6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.396 -11.068 6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.131 -11.517 5.445 1.00 0.00 H new ATOM 1091 N ILE A 72 0.835 -9.433 3.445 1.00 0.00 N ATOM 1092 CA ILE A 72 1.393 -9.162 2.091 1.00 0.00 C ATOM 1093 C ILE A 72 2.860 -8.756 2.225 1.00 0.00 C ATOM 1094 O ILE A 72 3.206 -7.890 3.003 1.00 0.00 O ATOM 1095 CB ILE A 72 0.609 -8.030 1.428 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.868 -8.417 1.344 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.154 -7.790 0.021 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.734 -7.196 1.654 1.00 0.00 C ATOM 0 H ILE A 72 0.163 -8.746 3.786 1.00 0.00 H new ATOM 0 HA ILE A 72 1.314 -10.060 1.478 1.00 0.00 H new ATOM 0 HB ILE A 72 0.714 -7.119 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.099 -8.797 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.085 -9.219 2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.595 -6.983 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.207 -7.516 0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.049 -8.700 -0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.787 -7.472 1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.510 -6.836 2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.524 -6.408 0.931 1.00 0.00 H new ATOM 1110 N VAL A 73 3.728 -9.379 1.477 1.00 0.00 N ATOM 1111 CA VAL A 73 5.172 -9.028 1.571 1.00 0.00 C ATOM 1112 C VAL A 73 5.524 -8.011 0.479 1.00 0.00 C ATOM 1113 O VAL A 73 4.722 -7.709 -0.383 1.00 0.00 O ATOM 1114 CB VAL A 73 6.015 -10.311 1.423 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.509 -10.483 -0.020 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.220 -10.233 2.364 1.00 0.00 C ATOM 0 H VAL A 73 3.501 -10.114 0.807 1.00 0.00 H new ATOM 0 HA VAL A 73 5.387 -8.578 2.540 1.00 0.00 H new ATOM 0 HB VAL A 73 5.390 -11.167 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.101 -11.395 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.653 -10.548 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.124 -9.627 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.819 -11.138 2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.827 -9.365 2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.873 -10.141 3.393 1.00 0.00 H new ATOM 1126 N VAL A 74 6.718 -7.487 0.508 1.00 0.00 N ATOM 1127 CA VAL A 74 7.120 -6.496 -0.527 1.00 0.00 C ATOM 1128 C VAL A 74 8.566 -6.786 -0.957 1.00 0.00 C ATOM 1129 O VAL A 74 9.396 -7.166 -0.156 1.00 0.00 O ATOM 1130 CB VAL A 74 6.973 -5.075 0.052 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.327 -4.516 0.509 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.379 -4.154 -1.017 1.00 0.00 C ATOM 0 H VAL A 74 7.432 -7.703 1.204 1.00 0.00 H new ATOM 0 HA VAL A 74 6.480 -6.571 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 74 6.314 -5.124 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.189 -3.513 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.746 -5.163 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.009 -4.475 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.273 -3.148 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.040 -4.129 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.401 -4.529 -1.318 1.00 0.00 H new ATOM 1142 N GLU A 75 8.869 -6.622 -2.216 1.00 0.00 N ATOM 1143 CA GLU A 75 10.255 -6.903 -2.692 1.00 0.00 C ATOM 1144 C GLU A 75 11.172 -5.725 -2.362 1.00 0.00 C ATOM 1145 O GLU A 75 10.723 -4.625 -2.110 1.00 0.00 O ATOM 1146 CB GLU A 75 10.237 -7.122 -4.206 1.00 0.00 C ATOM 1147 CG GLU A 75 10.756 -8.526 -4.525 1.00 0.00 C ATOM 1148 CD GLU A 75 12.057 -8.421 -5.324 1.00 0.00 C ATOM 1149 OE1 GLU A 75 12.122 -7.578 -6.202 1.00 0.00 O ATOM 1150 OE2 GLU A 75 12.965 -9.186 -5.042 1.00 0.00 O ATOM 0 H GLU A 75 8.218 -6.306 -2.935 1.00 0.00 H new ATOM 0 HA GLU A 75 10.629 -7.797 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.224 -7.001 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.856 -6.373 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.927 -9.080 -3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.010 -9.080 -5.095 1.00 0.00 H new ATOM 1157 N ASP A 76 12.459 -5.948 -2.365 1.00 0.00 N ATOM 1158 CA ASP A 76 13.410 -4.843 -2.056 1.00 0.00 C ATOM 1159 C ASP A 76 14.314 -4.596 -3.265 1.00 0.00 C ATOM 1160 O ASP A 76 15.389 -5.173 -3.305 1.00 0.00 O ATOM 1161 CB ASP A 76 14.269 -5.229 -0.850 1.00 0.00 C ATOM 1162 CG ASP A 76 13.767 -4.495 0.394 1.00 0.00 C ATOM 1163 OD1 ASP A 76 13.031 -3.534 0.235 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.127 -4.904 1.486 1.00 0.00 O ATOM 1165 OXT ASP A 76 13.917 -3.836 -4.132 1.00 0.00 O ATOM 0 H ASP A 76 12.892 -6.849 -2.568 1.00 0.00 H new ATOM 0 HA ASP A 76 12.850 -3.936 -1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.227 -6.306 -0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.312 -4.975 -1.038 1.00 0.00 H new TER 1170 ASP A 76