USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 694 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 NoAdj-H: A 23 ASNHD21 : A 23 ASN ND2 : A 196 CACA :(H bumps) USER MOD Set 1.1: A 35 MET CE :methyl 180:sc= -1.75 (180deg=-1.75) USER MOD Set 1.2: A 50 MET CE :methyl 175:sc= -0.972 (180deg=-1.1) USER MOD Set 2.1: A 29 SER OG : rot 180:sc= -0.0333 USER MOD Set 2.2: A 33 HIS :FLIP no HD1:sc= -2.59! C(o=-4.3!,f=-2.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0.00191 X(o=0.0019,f=-0.42) USER MOD Single : A 3 MET CE :methyl -110:sc=-0.00989 (180deg=-0.128) USER MOD Single : A 5 THR OG1 : rot 47:sc= 0.402 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0357) USER MOD Single : A 22 GLN : amide:sc= -1.93! X(o=-1.9!,f=-1.8) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.125 USER MOD Single : A 37 ASN :FLIP amide:sc= 0.55! F(o=-1.5,f=0.55!) USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= -0.025 (180deg=-0.363) USER MOD Single : A 43 THR OG1 : rot 167:sc= -0.272 USER MOD Single : A 49 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.25) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.524 F(o=-3.4,f=-0.52) USER MOD Single : A 63 ASN : amide:sc= -0.42 K(o=-0.42,f=-3!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -169:sc=-0.00255 (180deg=-0.192) USER MOD Single : A 70 MET CE :methyl 151:sc=-0.00321 (180deg=-0.726) USER MOD Single : A 71 MET CE :methyl 149:sc= -0.201 (180deg=-0.252) USER MOD Single : A 72 MET CE :methyl 148:sc= -0.293 (180deg=-1.74!) USER MOD Single : A 73 THR OG1 : rot 96:sc= 1.28 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 84 SER OG : rot -12:sc= -0.4 USER MOD Single : A 89 LYS NZ :NH3+ -163:sc= -0.0422 (180deg=-0.379) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 86:sc= 0.11 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.222 -10.291 1.063 1.00 0.00 N ATOM 2 CA GLY A 1 20.251 -9.642 -0.279 1.00 0.00 C ATOM 3 C GLY A 1 21.669 -9.172 -0.587 1.00 0.00 C ATOM 4 O GLY A 1 22.065 -8.071 -0.202 1.00 0.00 O ATOM 0 H1 GLY A 1 19.255 -10.611 1.273 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.866 -11.108 1.068 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.525 -9.607 1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.916 -10.345 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.564 -8.796 -0.301 1.00 0.00 H new ATOM 10 N HIS A 2 22.427 -10.012 -1.283 1.00 0.00 N ATOM 11 CA HIS A 2 23.801 -9.671 -1.633 1.00 0.00 C ATOM 12 C HIS A 2 23.829 -8.482 -2.587 1.00 0.00 C ATOM 13 O HIS A 2 24.663 -7.587 -2.455 1.00 0.00 O ATOM 14 CB HIS A 2 24.484 -10.871 -2.294 1.00 0.00 C ATOM 15 CG HIS A 2 24.655 -11.969 -1.282 1.00 0.00 C ATOM 16 ND1 HIS A 2 23.630 -12.845 -0.961 1.00 0.00 N ATOM 17 CD2 HIS A 2 25.725 -12.347 -0.509 1.00 0.00 C ATOM 18 CE1 HIS A 2 24.100 -13.698 -0.034 1.00 0.00 C ATOM 19 NE2 HIS A 2 25.373 -13.439 0.279 1.00 0.00 N ATOM 0 H HIS A 2 22.117 -10.926 -1.614 1.00 0.00 H new ATOM 0 HA HIS A 2 24.334 -9.405 -0.720 1.00 0.00 H new ATOM 0 HB2 HIS A 2 23.887 -11.226 -3.134 1.00 0.00 H new ATOM 0 HB3 HIS A 2 25.454 -10.576 -2.694 1.00 0.00 H new ATOM 0 HD2 HIS A 2 26.694 -11.869 -0.512 1.00 0.00 H new ATOM 0 HE1 HIS A 2 23.519 -14.496 0.405 1.00 0.00 H new ATOM 0 HE2 HIS A 2 25.960 -13.934 0.950 1.00 0.00 H new ATOM 27 N MET A 3 22.910 -8.476 -3.548 1.00 0.00 N ATOM 28 CA MET A 3 22.840 -7.392 -4.522 1.00 0.00 C ATOM 29 C MET A 3 22.069 -6.208 -3.946 1.00 0.00 C ATOM 30 O MET A 3 21.949 -6.066 -2.730 1.00 0.00 O ATOM 31 CB MET A 3 22.151 -7.880 -5.796 1.00 0.00 C ATOM 32 CG MET A 3 22.917 -9.079 -6.365 1.00 0.00 C ATOM 33 SD MET A 3 24.594 -8.576 -6.830 1.00 0.00 S ATOM 34 CE MET A 3 24.182 -7.833 -8.427 1.00 0.00 C ATOM 0 H MET A 3 22.207 -9.205 -3.673 1.00 0.00 H new ATOM 0 HA MET A 3 23.855 -7.072 -4.758 1.00 0.00 H new ATOM 0 HB2 MET A 3 21.121 -8.163 -5.579 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.113 -7.077 -6.532 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.960 -9.878 -5.625 1.00 0.00 H new ATOM 0 HG3 MET A 3 22.393 -9.477 -7.234 1.00 0.00 H new ATOM 0 HE1 MET A 3 24.574 -8.457 -9.230 1.00 0.00 H new ATOM 0 HE2 MET A 3 23.099 -7.755 -8.523 1.00 0.00 H new ATOM 0 HE3 MET A 3 24.625 -6.839 -8.491 1.00 0.00 H new ATOM 44 N ASP A 4 21.552 -5.360 -4.829 1.00 0.00 N ATOM 45 CA ASP A 4 20.797 -4.191 -4.397 1.00 0.00 C ATOM 46 C ASP A 4 19.486 -4.612 -3.747 1.00 0.00 C ATOM 47 O ASP A 4 18.618 -5.191 -4.399 1.00 0.00 O ATOM 48 CB ASP A 4 20.505 -3.286 -5.596 1.00 0.00 C ATOM 49 CG ASP A 4 19.699 -4.050 -6.642 1.00 0.00 C ATOM 50 OD1 ASP A 4 19.652 -5.265 -6.553 1.00 0.00 O ATOM 51 OD2 ASP A 4 19.139 -3.407 -7.515 1.00 0.00 O ATOM 0 H ASP A 4 21.641 -5.459 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 4 21.394 -3.646 -3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 4 19.952 -2.405 -5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 4 21.440 -2.933 -6.032 1.00 0.00 H new ATOM 56 N THR A 5 19.351 -4.321 -2.455 1.00 0.00 N ATOM 57 CA THR A 5 18.139 -4.675 -1.722 1.00 0.00 C ATOM 58 C THR A 5 16.901 -4.406 -2.575 1.00 0.00 C ATOM 59 O THR A 5 16.357 -3.303 -2.570 1.00 0.00 O ATOM 60 CB THR A 5 18.055 -3.862 -0.434 1.00 0.00 C ATOM 61 OG1 THR A 5 18.159 -2.479 -0.737 1.00 0.00 O ATOM 62 CG2 THR A 5 19.192 -4.267 0.507 1.00 0.00 C ATOM 0 H THR A 5 20.060 -3.845 -1.898 1.00 0.00 H new ATOM 0 HA THR A 5 18.179 -5.737 -1.481 1.00 0.00 H new ATOM 0 HB THR A 5 17.099 -4.056 0.052 1.00 0.00 H new ATOM 0 HG1 THR A 5 17.569 -2.264 -1.489 1.00 0.00 H new ATOM 0 HG21 THR A 5 19.129 -3.684 1.426 1.00 0.00 H new ATOM 0 HG22 THR A 5 19.108 -5.328 0.744 1.00 0.00 H new ATOM 0 HG23 THR A 5 20.150 -4.078 0.023 1.00 0.00 H new ATOM 70 N ASP A 6 16.471 -5.422 -3.312 1.00 0.00 N ATOM 71 CA ASP A 6 15.310 -5.282 -4.184 1.00 0.00 C ATOM 72 C ASP A 6 14.086 -4.867 -3.378 1.00 0.00 C ATOM 73 O ASP A 6 13.385 -3.925 -3.744 1.00 0.00 O ATOM 74 CB ASP A 6 15.023 -6.612 -4.888 1.00 0.00 C ATOM 75 CG ASP A 6 16.101 -6.898 -5.927 1.00 0.00 C ATOM 76 OD1 ASP A 6 16.827 -5.979 -6.266 1.00 0.00 O ATOM 77 OD2 ASP A 6 16.184 -8.033 -6.367 1.00 0.00 O ATOM 0 H ASP A 6 16.904 -6.345 -3.325 1.00 0.00 H new ATOM 0 HA ASP A 6 15.527 -4.513 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 6 14.989 -7.419 -4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 6 14.045 -6.575 -5.368 1.00 0.00 H new ATOM 82 N ALA A 7 13.834 -5.572 -2.283 1.00 0.00 N ATOM 83 CA ALA A 7 12.686 -5.267 -1.440 1.00 0.00 C ATOM 84 C ALA A 7 12.634 -3.778 -1.112 1.00 0.00 C ATOM 85 O ALA A 7 11.659 -3.102 -1.425 1.00 0.00 O ATOM 86 CB ALA A 7 12.767 -6.068 -0.137 1.00 0.00 C ATOM 0 H ALA A 7 14.404 -6.353 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 7 11.782 -5.540 -1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.905 -5.834 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.772 -7.134 -0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.682 -5.807 0.395 1.00 0.00 H new ATOM 92 N GLU A 8 13.689 -3.273 -0.485 1.00 0.00 N ATOM 93 CA GLU A 8 13.739 -1.863 -0.117 1.00 0.00 C ATOM 94 C GLU A 8 13.479 -0.981 -1.331 1.00 0.00 C ATOM 95 O GLU A 8 12.671 -0.054 -1.272 1.00 0.00 O ATOM 96 CB GLU A 8 15.120 -1.536 0.474 1.00 0.00 C ATOM 97 CG GLU A 8 15.165 -1.963 1.940 1.00 0.00 C ATOM 98 CD GLU A 8 14.750 -3.424 2.078 1.00 0.00 C ATOM 99 OE1 GLU A 8 15.115 -4.208 1.221 1.00 0.00 O ATOM 100 OE2 GLU A 8 14.068 -3.735 3.039 1.00 0.00 O ATOM 0 H GLU A 8 14.514 -3.812 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 8 12.965 -1.667 0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.899 -2.051 -0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.319 -0.468 0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.171 -1.825 2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.501 -1.332 2.530 1.00 0.00 H new ATOM 107 N GLU A 9 14.164 -1.272 -2.429 1.00 0.00 N ATOM 108 CA GLU A 9 13.998 -0.488 -3.646 1.00 0.00 C ATOM 109 C GLU A 9 12.556 -0.557 -4.132 1.00 0.00 C ATOM 110 O GLU A 9 11.971 0.454 -4.513 1.00 0.00 O ATOM 111 CB GLU A 9 14.932 -1.018 -4.737 1.00 0.00 C ATOM 112 CG GLU A 9 14.810 -0.139 -5.986 1.00 0.00 C ATOM 113 CD GLU A 9 15.800 -0.605 -7.047 1.00 0.00 C ATOM 114 OE1 GLU A 9 16.372 -1.668 -6.873 1.00 0.00 O ATOM 115 OE2 GLU A 9 15.969 0.109 -8.023 1.00 0.00 O ATOM 0 H GLU A 9 14.834 -2.038 -2.503 1.00 0.00 H new ATOM 0 HA GLU A 9 14.247 0.550 -3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.962 -1.020 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.677 -2.050 -4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.794 -0.188 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.003 0.902 -5.729 1.00 0.00 H new ATOM 122 N GLU A 10 11.987 -1.756 -4.118 1.00 0.00 N ATOM 123 CA GLU A 10 10.613 -1.942 -4.568 1.00 0.00 C ATOM 124 C GLU A 10 9.656 -1.077 -3.755 1.00 0.00 C ATOM 125 O GLU A 10 8.802 -0.389 -4.312 1.00 0.00 O ATOM 126 CB GLU A 10 10.212 -3.413 -4.424 1.00 0.00 C ATOM 127 CG GLU A 10 8.801 -3.620 -4.981 1.00 0.00 C ATOM 128 CD GLU A 10 8.413 -5.093 -4.892 1.00 0.00 C ATOM 129 OE1 GLU A 10 9.165 -5.912 -5.394 1.00 0.00 O ATOM 130 OE2 GLU A 10 7.369 -5.382 -4.323 1.00 0.00 O ATOM 0 H GLU A 10 12.451 -2.608 -3.803 1.00 0.00 H new ATOM 0 HA GLU A 10 10.554 -1.645 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.920 -4.047 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.246 -3.708 -3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.088 -3.014 -4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.758 -3.287 -6.018 1.00 0.00 H new ATOM 137 N LEU A 11 9.801 -1.123 -2.439 1.00 0.00 N ATOM 138 CA LEU A 11 8.926 -0.351 -1.560 1.00 0.00 C ATOM 139 C LEU A 11 9.058 1.137 -1.849 1.00 0.00 C ATOM 140 O LEU A 11 8.058 1.853 -1.906 1.00 0.00 O ATOM 141 CB LEU A 11 9.302 -0.616 -0.098 1.00 0.00 C ATOM 142 CG LEU A 11 9.073 -2.093 0.232 1.00 0.00 C ATOM 143 CD1 LEU A 11 9.628 -2.399 1.627 1.00 0.00 C ATOM 144 CD2 LEU A 11 7.575 -2.420 0.192 1.00 0.00 C ATOM 0 H LEU A 11 10.507 -1.679 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 11 7.895 -0.657 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.346 -0.352 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.703 0.012 0.562 1.00 0.00 H new ATOM 0 HG LEU A 11 9.588 -2.705 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.464 -3.451 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.696 -2.184 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.119 -1.780 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.426 -3.474 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.049 -1.806 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.184 -2.213 -0.804 1.00 0.00 H new ATOM 156 N LYS A 12 10.290 1.596 -2.031 1.00 0.00 N ATOM 157 CA LYS A 12 10.521 3.005 -2.311 1.00 0.00 C ATOM 158 C LYS A 12 9.902 3.408 -3.643 1.00 0.00 C ATOM 159 O LYS A 12 9.188 4.406 -3.728 1.00 0.00 O ATOM 160 CB LYS A 12 12.024 3.284 -2.345 1.00 0.00 C ATOM 161 CG LYS A 12 12.596 3.201 -0.927 1.00 0.00 C ATOM 162 CD LYS A 12 14.027 3.763 -0.911 1.00 0.00 C ATOM 163 CE LYS A 12 13.978 5.286 -0.732 1.00 0.00 C ATOM 164 NZ LYS A 12 15.361 5.814 -0.614 1.00 0.00 N ATOM 0 H LYS A 12 11.132 1.022 -1.990 1.00 0.00 H new ATOM 0 HA LYS A 12 10.052 3.590 -1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.523 2.562 -2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.211 4.272 -2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.967 3.763 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.598 2.166 -0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.598 3.309 -0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.538 3.512 -1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.472 5.747 -1.581 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.403 5.540 0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.329 6.846 -0.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.828 5.383 0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.895 5.583 -1.476 1.00 0.00 H new ATOM 178 N GLU A 13 10.174 2.626 -4.682 1.00 0.00 N ATOM 179 CA GLU A 13 9.632 2.916 -6.002 1.00 0.00 C ATOM 180 C GLU A 13 8.109 3.012 -5.943 1.00 0.00 C ATOM 181 O GLU A 13 7.522 4.012 -6.364 1.00 0.00 O ATOM 182 CB GLU A 13 10.039 1.809 -6.982 1.00 0.00 C ATOM 183 CG GLU A 13 11.536 1.912 -7.280 1.00 0.00 C ATOM 184 CD GLU A 13 11.973 0.748 -8.163 1.00 0.00 C ATOM 185 OE1 GLU A 13 11.131 -0.075 -8.486 1.00 0.00 O ATOM 186 OE2 GLU A 13 13.142 0.696 -8.506 1.00 0.00 O ATOM 0 H GLU A 13 10.762 1.794 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 13 10.032 3.871 -6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.809 0.832 -6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.467 1.899 -7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.752 2.858 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.102 1.905 -6.348 1.00 0.00 H new ATOM 193 N ALA A 14 7.478 1.972 -5.408 1.00 0.00 N ATOM 194 CA ALA A 14 6.026 1.955 -5.293 1.00 0.00 C ATOM 195 C ALA A 14 5.549 3.129 -4.445 1.00 0.00 C ATOM 196 O ALA A 14 4.609 3.833 -4.813 1.00 0.00 O ATOM 197 CB ALA A 14 5.567 0.640 -4.657 1.00 0.00 C ATOM 0 H ALA A 14 7.944 1.138 -5.051 1.00 0.00 H new ATOM 0 HA ALA A 14 5.596 2.041 -6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.480 0.636 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.887 -0.196 -5.279 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.006 0.543 -3.664 1.00 0.00 H new ATOM 203 N PHE A 15 6.205 3.340 -3.307 1.00 0.00 N ATOM 204 CA PHE A 15 5.830 4.432 -2.416 1.00 0.00 C ATOM 205 C PHE A 15 5.819 5.755 -3.178 1.00 0.00 C ATOM 206 O PHE A 15 4.879 6.540 -3.057 1.00 0.00 O ATOM 207 CB PHE A 15 6.830 4.517 -1.257 1.00 0.00 C ATOM 208 CG PHE A 15 6.613 5.802 -0.489 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.410 6.013 0.197 1.00 0.00 C ATOM 210 CD2 PHE A 15 7.608 6.787 -0.471 1.00 0.00 C ATOM 211 CE1 PHE A 15 5.203 7.206 0.900 1.00 0.00 C ATOM 212 CE2 PHE A 15 7.402 7.978 0.231 1.00 0.00 C ATOM 213 CZ PHE A 15 6.201 8.188 0.917 1.00 0.00 C ATOM 0 H PHE A 15 6.990 2.776 -2.983 1.00 0.00 H new ATOM 0 HA PHE A 15 4.831 4.240 -2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.707 3.661 -0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.850 4.479 -1.640 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.641 5.255 0.184 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.536 6.626 -1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.275 7.369 1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.171 8.737 0.244 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.043 9.108 1.460 1.00 0.00 H new ATOM 223 N LYS A 16 6.865 5.994 -3.957 1.00 0.00 N ATOM 224 CA LYS A 16 6.962 7.226 -4.731 1.00 0.00 C ATOM 225 C LYS A 16 5.825 7.309 -5.743 1.00 0.00 C ATOM 226 O LYS A 16 5.327 8.395 -6.045 1.00 0.00 O ATOM 227 CB LYS A 16 8.307 7.283 -5.456 1.00 0.00 C ATOM 228 CG LYS A 16 8.450 8.633 -6.160 1.00 0.00 C ATOM 229 CD LYS A 16 9.824 8.719 -6.826 1.00 0.00 C ATOM 230 CE LYS A 16 9.974 10.075 -7.517 1.00 0.00 C ATOM 231 NZ LYS A 16 11.326 10.171 -8.137 1.00 0.00 N ATOM 0 H LYS A 16 7.654 5.357 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 16 6.886 8.073 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.122 7.143 -4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.375 6.473 -6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.664 8.751 -6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.331 9.444 -5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.609 8.590 -6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.938 7.914 -7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.204 10.194 -8.279 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.835 10.880 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.428 11.093 -8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.053 10.076 -7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.441 9.411 -8.837 1.00 0.00 H new ATOM 245 N VAL A 17 5.417 6.156 -6.262 1.00 0.00 N ATOM 246 CA VAL A 17 4.326 6.106 -7.229 1.00 0.00 C ATOM 247 C VAL A 17 2.984 6.357 -6.545 1.00 0.00 C ATOM 248 O VAL A 17 2.139 7.091 -7.058 1.00 0.00 O ATOM 249 CB VAL A 17 4.309 4.749 -7.930 1.00 0.00 C ATOM 250 CG1 VAL A 17 3.074 4.651 -8.831 1.00 0.00 C ATOM 251 CG2 VAL A 17 5.574 4.601 -8.781 1.00 0.00 C ATOM 0 H VAL A 17 5.822 5.249 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 17 4.487 6.889 -7.969 1.00 0.00 H new ATOM 0 HB VAL A 17 4.275 3.956 -7.183 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.064 3.682 -9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.173 4.757 -8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.105 5.444 -9.578 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.564 3.633 -9.282 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.606 5.396 -9.527 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.453 4.669 -8.141 1.00 0.00 H new ATOM 261 N PHE A 18 2.792 5.731 -5.390 1.00 0.00 N ATOM 262 CA PHE A 18 1.545 5.888 -4.649 1.00 0.00 C ATOM 263 C PHE A 18 1.340 7.340 -4.245 1.00 0.00 C ATOM 264 O PHE A 18 0.247 7.884 -4.393 1.00 0.00 O ATOM 265 CB PHE A 18 1.570 4.997 -3.390 1.00 0.00 C ATOM 266 CG PHE A 18 0.868 3.691 -3.668 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.517 3.598 -3.490 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.596 2.581 -4.106 1.00 0.00 C ATOM 269 CE1 PHE A 18 -1.175 2.394 -3.753 1.00 0.00 C ATOM 270 CE2 PHE A 18 0.939 1.376 -4.367 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.446 1.284 -4.189 1.00 0.00 C ATOM 0 H PHE A 18 3.476 5.116 -4.949 1.00 0.00 H new ATOM 0 HA PHE A 18 0.719 5.586 -5.293 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.600 4.808 -3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.084 5.511 -2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.077 4.457 -3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.665 2.655 -4.242 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.244 2.321 -3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.499 0.517 -4.706 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.953 0.352 -4.389 1.00 0.00 H new ATOM 281 N ASP A 19 2.393 7.962 -3.731 1.00 0.00 N ATOM 282 CA ASP A 19 2.306 9.350 -3.300 1.00 0.00 C ATOM 283 C ASP A 19 2.437 10.297 -4.487 1.00 0.00 C ATOM 284 O ASP A 19 3.456 10.967 -4.648 1.00 0.00 O ATOM 285 CB ASP A 19 3.410 9.647 -2.283 1.00 0.00 C ATOM 286 CG ASP A 19 3.165 11.000 -1.634 1.00 0.00 C ATOM 287 OD1 ASP A 19 2.076 11.527 -1.801 1.00 0.00 O ATOM 288 OD2 ASP A 19 4.068 11.491 -0.979 1.00 0.00 O ATOM 0 H ASP A 19 3.309 7.532 -3.603 1.00 0.00 H new ATOM 0 HA ASP A 19 1.331 9.505 -2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.434 8.868 -1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.382 9.641 -2.776 1.00 0.00 H new ATOM 293 N LYS A 20 1.401 10.344 -5.314 1.00 0.00 N ATOM 294 CA LYS A 20 1.412 11.210 -6.487 1.00 0.00 C ATOM 295 C LYS A 20 1.646 12.657 -6.062 1.00 0.00 C ATOM 296 O LYS A 20 2.399 13.385 -6.707 1.00 0.00 O ATOM 297 CB LYS A 20 0.076 11.105 -7.225 1.00 0.00 C ATOM 298 CG LYS A 20 -0.048 9.720 -7.863 1.00 0.00 C ATOM 299 CD LYS A 20 -1.380 9.617 -8.610 1.00 0.00 C ATOM 300 CE LYS A 20 -1.462 8.265 -9.324 1.00 0.00 C ATOM 301 NZ LYS A 20 -1.734 7.193 -8.327 1.00 0.00 N ATOM 0 H LYS A 20 0.548 9.797 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 20 2.217 10.894 -7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.748 11.273 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.010 11.877 -7.991 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.780 9.550 -8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.011 8.948 -7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.210 9.722 -7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.467 10.428 -9.333 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.251 8.286 -10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.528 8.061 -9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.924 6.298 -8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.907 7.077 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.562 7.454 -7.754 1.00 0.00 H new ATOM 315 N ASP A 21 1.003 13.062 -4.974 1.00 0.00 N ATOM 316 CA ASP A 21 1.154 14.423 -4.473 1.00 0.00 C ATOM 317 C ASP A 21 2.558 14.627 -3.911 1.00 0.00 C ATOM 318 O ASP A 21 2.988 15.758 -3.685 1.00 0.00 O ATOM 319 CB ASP A 21 0.124 14.692 -3.374 1.00 0.00 C ATOM 320 CG ASP A 21 -1.244 14.175 -3.804 1.00 0.00 C ATOM 321 OD1 ASP A 21 -1.677 14.531 -4.888 1.00 0.00 O ATOM 322 OD2 ASP A 21 -1.834 13.427 -3.041 1.00 0.00 O ATOM 0 H ASP A 21 0.377 12.473 -4.425 1.00 0.00 H new ATOM 0 HA ASP A 21 0.995 15.116 -5.299 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.432 14.205 -2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.070 15.761 -3.169 1.00 0.00 H new ATOM 327 N GLN A 22 3.263 13.521 -3.678 1.00 0.00 N ATOM 328 CA GLN A 22 4.616 13.590 -3.134 1.00 0.00 C ATOM 329 C GLN A 22 4.626 14.360 -1.818 1.00 0.00 C ATOM 330 O GLN A 22 5.608 15.021 -1.483 1.00 0.00 O ATOM 331 CB GLN A 22 5.549 14.277 -4.135 1.00 0.00 C ATOM 332 CG GLN A 22 5.613 13.456 -5.424 1.00 0.00 C ATOM 333 CD GLN A 22 6.263 12.105 -5.149 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.304 12.039 -4.492 1.00 0.00 O ATOM 335 NE2 GLN A 22 5.713 11.018 -5.615 1.00 0.00 N ATOM 0 H GLN A 22 2.923 12.576 -3.856 1.00 0.00 H new ATOM 0 HA GLN A 22 4.965 12.574 -2.951 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.190 15.283 -4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.546 14.379 -3.707 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.609 13.311 -5.823 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.182 13.996 -6.181 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.852 11.075 -6.158 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.144 10.111 -5.436 1.00 0.00 H new ATOM 344 N ASN A 23 3.525 14.268 -1.077 1.00 0.00 N ATOM 345 CA ASN A 23 3.417 14.963 0.204 1.00 0.00 C ATOM 346 C ASN A 23 4.000 14.109 1.325 1.00 0.00 C ATOM 347 O ASN A 23 3.989 14.507 2.489 1.00 0.00 O ATOM 348 CB ASN A 23 1.949 15.276 0.505 1.00 0.00 C ATOM 349 CG ASN A 23 1.094 14.041 0.253 1.00 0.00 C ATOM 350 OD1 ASN A 23 -0.132 14.132 0.176 1.00 0.00 O ATOM 351 ND2 ASN A 23 1.669 12.884 0.114 1.00 0.00 N ATOM 0 H ASN A 23 2.702 13.725 -1.337 1.00 0.00 H new ATOM 0 HA ASN A 23 3.980 15.894 0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.842 15.598 1.541 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.608 16.100 -0.122 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.684 12.808 0.178 1.00 0.00 H new ATOM 358 N GLY A 24 4.514 12.939 0.965 1.00 0.00 N ATOM 359 CA GLY A 24 5.112 12.038 1.946 1.00 0.00 C ATOM 360 C GLY A 24 4.085 11.056 2.488 1.00 0.00 C ATOM 361 O GLY A 24 4.439 9.980 2.964 1.00 0.00 O ATOM 0 H GLY A 24 4.530 12.592 0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.935 11.491 1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.533 12.618 2.767 1.00 0.00 H new ATOM 365 N TYR A 25 2.813 11.435 2.417 1.00 0.00 N ATOM 366 CA TYR A 25 1.731 10.585 2.921 1.00 0.00 C ATOM 367 C TYR A 25 0.813 10.154 1.783 1.00 0.00 C ATOM 368 O TYR A 25 0.686 10.839 0.769 1.00 0.00 O ATOM 369 CB TYR A 25 0.924 11.346 3.971 1.00 0.00 C ATOM 370 CG TYR A 25 1.861 12.020 4.942 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.364 13.294 4.659 1.00 0.00 C ATOM 372 CD2 TYR A 25 2.229 11.369 6.127 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.233 13.920 5.561 1.00 0.00 C ATOM 374 CE2 TYR A 25 3.099 11.995 7.029 1.00 0.00 C ATOM 375 CZ TYR A 25 3.600 13.272 6.745 1.00 0.00 C ATOM 376 OH TYR A 25 4.459 13.888 7.632 1.00 0.00 O ATOM 0 H TYR A 25 2.503 12.321 2.018 1.00 0.00 H new ATOM 0 HA TYR A 25 2.170 9.695 3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.289 12.089 3.488 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.264 10.661 4.503 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.082 13.795 3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.842 10.385 6.345 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.620 14.904 5.342 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.383 11.494 7.942 1.00 0.00 H new ATOM 0 HH TYR A 25 4.609 13.302 8.403 1.00 0.00 H new ATOM 386 N ILE A 26 0.168 9.007 1.956 1.00 0.00 N ATOM 387 CA ILE A 26 -0.743 8.484 0.936 1.00 0.00 C ATOM 388 C ILE A 26 -2.184 8.582 1.414 1.00 0.00 C ATOM 389 O ILE A 26 -2.493 8.242 2.554 1.00 0.00 O ATOM 390 CB ILE A 26 -0.404 7.031 0.627 1.00 0.00 C ATOM 391 CG1 ILE A 26 1.014 6.951 0.056 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.400 6.486 -0.399 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.481 5.495 0.059 1.00 0.00 C ATOM 0 H ILE A 26 0.255 8.421 2.787 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.628 9.080 0.031 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.462 6.439 1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.032 7.348 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.692 7.563 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.160 5.446 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.410 6.546 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.340 7.077 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.491 5.436 -0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.478 5.114 1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.808 4.896 -0.554 1.00 0.00 H new ATOM 405 N SER A 27 -3.062 9.061 0.537 1.00 0.00 N ATOM 406 CA SER A 27 -4.479 9.207 0.875 1.00 0.00 C ATOM 407 C SER A 27 -5.308 8.135 0.176 1.00 0.00 C ATOM 408 O SER A 27 -4.767 7.168 -0.358 1.00 0.00 O ATOM 409 CB SER A 27 -4.974 10.593 0.460 1.00 0.00 C ATOM 410 OG SER A 27 -5.435 10.543 -0.882 1.00 0.00 O ATOM 0 H SER A 27 -2.821 9.354 -0.410 1.00 0.00 H new ATOM 0 HA SER A 27 -4.592 9.091 1.953 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.777 10.918 1.121 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.169 11.322 0.554 1.00 0.00 H new ATOM 0 HG SER A 27 -5.755 11.429 -1.151 1.00 0.00 H new ATOM 416 N ALA A 28 -6.624 8.315 0.182 1.00 0.00 N ATOM 417 CA ALA A 28 -7.525 7.357 -0.455 1.00 0.00 C ATOM 418 C ALA A 28 -7.607 7.617 -1.955 1.00 0.00 C ATOM 419 O ALA A 28 -7.674 6.685 -2.753 1.00 0.00 O ATOM 420 CB ALA A 28 -8.920 7.469 0.167 1.00 0.00 C ATOM 0 H ALA A 28 -7.090 9.110 0.618 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.136 6.351 -0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.590 6.753 -0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.861 7.255 1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.304 8.479 0.020 1.00 0.00 H new ATOM 426 N SER A 29 -7.605 8.892 -2.331 1.00 0.00 N ATOM 427 CA SER A 29 -7.690 9.260 -3.740 1.00 0.00 C ATOM 428 C SER A 29 -6.562 8.609 -4.531 1.00 0.00 C ATOM 429 O SER A 29 -6.781 8.067 -5.616 1.00 0.00 O ATOM 430 CB SER A 29 -7.607 10.780 -3.887 1.00 0.00 C ATOM 431 OG SER A 29 -7.309 11.104 -5.238 1.00 0.00 O ATOM 0 H SER A 29 -7.546 9.681 -1.687 1.00 0.00 H new ATOM 0 HA SER A 29 -8.644 8.908 -4.132 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.551 11.238 -3.591 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.837 11.180 -3.227 1.00 0.00 H new ATOM 0 HG SER A 29 -7.256 12.078 -5.337 1.00 0.00 H new ATOM 437 N GLU A 30 -5.357 8.656 -3.978 1.00 0.00 N ATOM 438 CA GLU A 30 -4.205 8.057 -4.637 1.00 0.00 C ATOM 439 C GLU A 30 -4.301 6.535 -4.624 1.00 0.00 C ATOM 440 O GLU A 30 -4.019 5.876 -5.625 1.00 0.00 O ATOM 441 CB GLU A 30 -2.916 8.497 -3.939 1.00 0.00 C ATOM 442 CG GLU A 30 -2.640 9.969 -4.250 1.00 0.00 C ATOM 443 CD GLU A 30 -1.418 10.448 -3.469 1.00 0.00 C ATOM 444 OE1 GLU A 30 -1.061 9.796 -2.504 1.00 0.00 O ATOM 445 OE2 GLU A 30 -0.856 11.460 -3.848 1.00 0.00 O ATOM 0 H GLU A 30 -5.153 9.099 -3.082 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.192 8.395 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.006 8.353 -2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.081 7.881 -4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.472 10.098 -5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.509 10.573 -3.989 1.00 0.00 H new ATOM 452 N LEU A 31 -4.694 5.982 -3.483 1.00 0.00 N ATOM 453 CA LEU A 31 -4.800 4.534 -3.356 1.00 0.00 C ATOM 454 C LEU A 31 -5.812 3.984 -4.364 1.00 0.00 C ATOM 455 O LEU A 31 -5.542 3.007 -5.085 1.00 0.00 O ATOM 456 CB LEU A 31 -5.238 4.182 -1.920 1.00 0.00 C ATOM 457 CG LEU A 31 -4.693 2.801 -1.538 1.00 0.00 C ATOM 458 CD1 LEU A 31 -5.024 2.505 -0.076 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.315 1.727 -2.442 1.00 0.00 C ATOM 0 H LEU A 31 -4.941 6.506 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.830 4.083 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.870 4.935 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.326 4.187 -1.850 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.611 2.793 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.636 1.523 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.568 3.263 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.105 2.518 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.924 0.748 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.398 1.732 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.065 1.937 -3.482 1.00 0.00 H new ATOM 471 N ARG A 32 -6.976 4.620 -4.425 1.00 0.00 N ATOM 472 CA ARG A 32 -8.005 4.194 -5.354 1.00 0.00 C ATOM 473 C ARG A 32 -7.501 4.324 -6.786 1.00 0.00 C ATOM 474 O ARG A 32 -7.709 3.430 -7.602 1.00 0.00 O ATOM 475 CB ARG A 32 -9.260 5.056 -5.176 1.00 0.00 C ATOM 476 CG ARG A 32 -10.357 4.575 -6.132 1.00 0.00 C ATOM 477 CD ARG A 32 -11.541 5.535 -6.079 1.00 0.00 C ATOM 478 NE ARG A 32 -12.683 4.974 -6.786 1.00 0.00 N ATOM 479 CZ ARG A 32 -13.817 5.657 -6.912 1.00 0.00 C ATOM 480 NH1 ARG A 32 -13.921 6.853 -6.400 1.00 0.00 N ATOM 481 NH2 ARG A 32 -14.826 5.131 -7.550 1.00 0.00 N ATOM 0 H ARG A 32 -7.225 5.423 -3.848 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.250 3.152 -5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.611 4.997 -4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.025 6.102 -5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.968 4.518 -7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.678 3.570 -5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.810 5.734 -5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.263 6.490 -6.525 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.612 4.041 -7.192 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.132 7.265 -5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.792 7.376 -6.498 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.745 4.197 -7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.696 5.654 -7.647 1.00 0.00 H new ATOM 495 N HIS A 33 -6.843 5.438 -7.083 1.00 0.00 N ATOM 496 CA HIS A 33 -6.328 5.668 -8.429 1.00 0.00 C ATOM 497 C HIS A 33 -5.454 4.503 -8.867 1.00 0.00 C ATOM 498 O HIS A 33 -5.527 4.052 -10.011 1.00 0.00 O ATOM 499 CB HIS A 33 -5.511 6.960 -8.456 1.00 0.00 C ATOM 500 CG HIS A 33 -6.426 8.136 -8.244 1.00 0.00 C ATOM 501 ND1 HIS A 33 -7.786 8.222 -8.069 1.00 0.00 N flip ATOM 502 CD2 HIS A 33 -5.954 9.438 -8.185 1.00 0.00 C flip ATOM 503 CE1 HIS A 33 -8.153 9.554 -7.906 1.00 0.00 C flip ATOM 504 NE2 HIS A 33 -7.013 10.245 -7.984 1.00 0.00 N flip ATOM 0 H HIS A 33 -6.654 6.189 -6.419 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.170 5.755 -9.116 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.746 6.936 -7.680 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.993 7.056 -9.410 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.924 9.749 -8.283 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -9.147 9.945 -7.750 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -6.952 11.260 -7.901 1.00 0.00 H new ATOM 512 N VAL A 34 -4.635 4.012 -7.947 1.00 0.00 N ATOM 513 CA VAL A 34 -3.752 2.887 -8.247 1.00 0.00 C ATOM 514 C VAL A 34 -4.574 1.651 -8.591 1.00 0.00 C ATOM 515 O VAL A 34 -4.235 0.907 -9.515 1.00 0.00 O ATOM 516 CB VAL A 34 -2.846 2.589 -7.050 1.00 0.00 C ATOM 517 CG1 VAL A 34 -2.104 1.267 -7.279 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.828 3.721 -6.886 1.00 0.00 C ATOM 0 H VAL A 34 -4.562 4.369 -6.994 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.132 3.152 -9.103 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.455 2.511 -6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.460 1.058 -6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.827 0.459 -7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.497 1.342 -8.181 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.183 3.509 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.223 3.800 -7.789 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.353 4.661 -6.719 1.00 0.00 H new ATOM 528 N MET A 35 -5.650 1.431 -7.840 1.00 0.00 N ATOM 529 CA MET A 35 -6.503 0.274 -8.093 1.00 0.00 C ATOM 530 C MET A 35 -7.092 0.329 -9.498 1.00 0.00 C ATOM 531 O MET A 35 -7.107 -0.669 -10.213 1.00 0.00 O ATOM 532 CB MET A 35 -7.641 0.234 -7.056 1.00 0.00 C ATOM 533 CG MET A 35 -7.203 -0.569 -5.834 1.00 0.00 C ATOM 534 SD MET A 35 -5.574 -0.015 -5.284 1.00 0.00 S ATOM 535 CE MET A 35 -5.442 -1.110 -3.848 1.00 0.00 C ATOM 0 H MET A 35 -5.948 2.025 -7.066 1.00 0.00 H new ATOM 0 HA MET A 35 -5.896 -0.627 -8.009 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.909 1.248 -6.759 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.531 -0.215 -7.497 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.928 -0.448 -5.030 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.172 -1.631 -6.078 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.491 -0.936 -3.344 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.261 -0.906 -3.158 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.494 -2.148 -4.176 1.00 0.00 H new ATOM 545 N ILE A 36 -7.571 1.494 -9.889 1.00 0.00 N ATOM 546 CA ILE A 36 -8.158 1.652 -11.217 1.00 0.00 C ATOM 547 C ILE A 36 -7.104 1.483 -12.298 1.00 0.00 C ATOM 548 O ILE A 36 -7.340 0.825 -13.312 1.00 0.00 O ATOM 549 CB ILE A 36 -8.814 3.032 -11.336 1.00 0.00 C ATOM 550 CG1 ILE A 36 -9.804 3.232 -10.182 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.559 3.144 -12.664 1.00 0.00 C ATOM 552 CD1 ILE A 36 -10.842 2.103 -10.171 1.00 0.00 C ATOM 0 H ILE A 36 -7.569 2.339 -9.318 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.915 0.880 -11.353 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.039 3.797 -11.292 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.268 3.252 -9.233 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.305 4.195 -10.286 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.022 4.128 -12.740 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.858 3.009 -13.487 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.330 2.375 -12.714 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.539 2.257 -9.347 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.389 2.103 -11.114 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.337 1.145 -10.045 1.00 0.00 H new ATOM 564 N ASN A 37 -5.945 2.083 -12.078 1.00 0.00 N ATOM 565 CA ASN A 37 -4.852 1.996 -13.041 1.00 0.00 C ATOM 566 C ASN A 37 -4.445 0.539 -13.241 1.00 0.00 C ATOM 567 O ASN A 37 -4.062 0.139 -14.339 1.00 0.00 O ATOM 568 CB ASN A 37 -3.651 2.806 -12.546 1.00 0.00 C ATOM 569 CG ASN A 37 -3.883 4.292 -12.799 1.00 0.00 C ATOM 570 OD1 ASN A 37 -3.360 4.852 -13.856 1.00 0.00 O flip ATOM 571 ND2 ASN A 37 -4.558 4.958 -12.016 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.734 2.634 -11.246 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.190 2.405 -13.993 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.497 2.630 -11.481 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.746 2.479 -13.057 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.965 4.517 -11.191 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.711 5.951 -12.191 1.00 0.00 H new ATOM 578 N LEU A 38 -4.530 -0.246 -12.173 1.00 0.00 N ATOM 579 CA LEU A 38 -4.169 -1.659 -12.242 1.00 0.00 C ATOM 580 C LEU A 38 -5.340 -2.487 -12.755 1.00 0.00 C ATOM 581 O LEU A 38 -5.241 -3.709 -12.871 1.00 0.00 O ATOM 582 CB LEU A 38 -3.755 -2.159 -10.857 1.00 0.00 C ATOM 583 CG LEU A 38 -2.465 -1.449 -10.420 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.216 -1.717 -8.934 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.271 -1.970 -11.242 1.00 0.00 C ATOM 0 H LEU A 38 -4.843 0.068 -11.255 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.333 -1.768 -12.933 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.550 -1.967 -10.137 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.599 -3.238 -10.880 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.573 -0.377 -10.588 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.301 -1.214 -8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.055 -1.339 -8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.114 -2.790 -8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.361 -1.461 -10.925 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.160 -3.043 -11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.445 -1.776 -12.300 1.00 0.00 H new ATOM 597 N GLY A 39 -6.443 -1.816 -13.059 1.00 0.00 N ATOM 598 CA GLY A 39 -7.629 -2.504 -13.559 1.00 0.00 C ATOM 599 C GLY A 39 -8.401 -3.153 -12.420 1.00 0.00 C ATOM 600 O GLY A 39 -9.123 -4.126 -12.624 1.00 0.00 O ATOM 0 H GLY A 39 -6.543 -0.805 -12.970 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.272 -1.796 -14.082 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.335 -3.263 -14.284 1.00 0.00 H new ATOM 604 N GLU A 40 -8.241 -2.613 -11.216 1.00 0.00 N ATOM 605 CA GLU A 40 -8.925 -3.149 -10.039 1.00 0.00 C ATOM 606 C GLU A 40 -10.059 -2.227 -9.611 1.00 0.00 C ATOM 607 O GLU A 40 -9.847 -1.041 -9.360 1.00 0.00 O ATOM 608 CB GLU A 40 -7.933 -3.299 -8.889 1.00 0.00 C ATOM 609 CG GLU A 40 -6.878 -4.345 -9.254 1.00 0.00 C ATOM 610 CD GLU A 40 -5.855 -4.470 -8.130 1.00 0.00 C ATOM 611 OE1 GLU A 40 -5.474 -3.448 -7.586 1.00 0.00 O ATOM 612 OE2 GLU A 40 -5.468 -5.588 -7.831 1.00 0.00 O ATOM 0 H GLU A 40 -7.646 -1.807 -11.027 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.341 -4.123 -10.296 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.454 -2.342 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.456 -3.597 -7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.356 -5.309 -9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.379 -4.062 -10.181 1.00 0.00 H new ATOM 619 N LYS A 41 -11.268 -2.778 -9.536 1.00 0.00 N ATOM 620 CA LYS A 41 -12.438 -1.993 -9.142 1.00 0.00 C ATOM 621 C LYS A 41 -12.808 -2.286 -7.700 1.00 0.00 C ATOM 622 O LYS A 41 -13.541 -3.231 -7.420 1.00 0.00 O ATOM 623 CB LYS A 41 -13.622 -2.333 -10.047 1.00 0.00 C ATOM 624 CG LYS A 41 -13.231 -2.100 -11.522 1.00 0.00 C ATOM 625 CD LYS A 41 -12.772 -3.419 -12.147 1.00 0.00 C ATOM 626 CE LYS A 41 -12.269 -3.164 -13.564 1.00 0.00 C ATOM 627 NZ LYS A 41 -13.396 -2.684 -14.410 1.00 0.00 N ATOM 0 H LYS A 41 -11.464 -3.758 -9.741 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.195 -0.935 -9.241 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.919 -3.371 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.481 -1.715 -9.786 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.081 -1.700 -12.075 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.434 -1.360 -11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.981 -3.863 -11.543 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.597 -4.131 -12.165 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.469 -2.424 -13.550 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.849 -4.079 -13.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.143 -2.783 -15.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.246 -3.249 -14.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.587 -1.684 -14.198 1.00 0.00 H new ATOM 641 N LEU A 42 -12.296 -1.469 -6.784 1.00 0.00 N ATOM 642 CA LEU A 42 -12.576 -1.642 -5.359 1.00 0.00 C ATOM 643 C LEU A 42 -13.465 -0.516 -4.850 1.00 0.00 C ATOM 644 O LEU A 42 -13.365 0.623 -5.306 1.00 0.00 O ATOM 645 CB LEU A 42 -11.263 -1.662 -4.565 1.00 0.00 C ATOM 646 CG LEU A 42 -10.657 -3.069 -4.601 1.00 0.00 C ATOM 647 CD1 LEU A 42 -10.305 -3.453 -6.043 1.00 0.00 C ATOM 648 CD2 LEU A 42 -9.397 -3.101 -3.735 1.00 0.00 C ATOM 0 H LEU A 42 -11.686 -0.681 -7.001 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.096 -2.590 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.561 -0.943 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.446 -1.361 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.384 -3.783 -4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.875 -4.454 -6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.207 -3.436 -6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.582 -2.742 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.964 -4.101 -3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.673 -2.383 -4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.655 -2.842 -2.708 1.00 0.00 H new ATOM 660 N THR A 43 -14.337 -0.846 -3.905 1.00 0.00 N ATOM 661 CA THR A 43 -15.241 0.146 -3.341 1.00 0.00 C ATOM 662 C THR A 43 -14.493 1.075 -2.389 1.00 0.00 C ATOM 663 O THR A 43 -13.464 0.707 -1.826 1.00 0.00 O ATOM 664 CB THR A 43 -16.379 -0.560 -2.589 1.00 0.00 C ATOM 665 OG1 THR A 43 -15.863 -1.706 -1.923 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.466 -0.984 -3.569 1.00 0.00 C ATOM 0 H THR A 43 -14.436 -1.784 -3.517 1.00 0.00 H new ATOM 0 HA THR A 43 -15.656 0.742 -4.154 1.00 0.00 H new ATOM 0 HB THR A 43 -16.808 0.126 -1.859 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.528 -2.041 -1.286 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.269 -1.484 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.863 -0.104 -4.075 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.045 -1.668 -4.306 1.00 0.00 H new ATOM 674 N ASP A 44 -15.022 2.280 -2.217 1.00 0.00 N ATOM 675 CA ASP A 44 -14.397 3.254 -1.333 1.00 0.00 C ATOM 676 C ASP A 44 -14.163 2.649 0.047 1.00 0.00 C ATOM 677 O ASP A 44 -13.151 2.930 0.697 1.00 0.00 O ATOM 678 CB ASP A 44 -15.293 4.489 -1.202 1.00 0.00 C ATOM 679 CG ASP A 44 -16.678 4.081 -0.711 1.00 0.00 C ATOM 680 OD1 ASP A 44 -16.938 2.891 -0.659 1.00 0.00 O ATOM 681 OD2 ASP A 44 -17.457 4.964 -0.399 1.00 0.00 O ATOM 0 H ASP A 44 -15.875 2.604 -2.674 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.437 3.543 -1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -14.847 5.200 -0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.374 4.993 -2.165 1.00 0.00 H new ATOM 686 N GLU A 45 -15.103 1.818 0.490 1.00 0.00 N ATOM 687 CA GLU A 45 -14.986 1.187 1.802 1.00 0.00 C ATOM 688 C GLU A 45 -13.691 0.385 1.896 1.00 0.00 C ATOM 689 O GLU A 45 -13.007 0.409 2.919 1.00 0.00 O ATOM 690 CB GLU A 45 -16.183 0.266 2.042 1.00 0.00 C ATOM 691 CG GLU A 45 -16.091 -0.944 1.114 1.00 0.00 C ATOM 692 CD GLU A 45 -17.423 -1.685 1.085 1.00 0.00 C ATOM 693 OE1 GLU A 45 -17.867 -2.106 2.139 1.00 0.00 O ATOM 694 OE2 GLU A 45 -17.981 -1.819 0.008 1.00 0.00 O ATOM 0 H GLU A 45 -15.943 1.568 -0.032 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.970 1.967 2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.201 -0.061 3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.112 0.806 1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.824 -0.621 0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.301 -1.614 1.454 1.00 0.00 H new ATOM 701 N GLU A 46 -13.365 -0.325 0.823 1.00 0.00 N ATOM 702 CA GLU A 46 -12.151 -1.132 0.794 1.00 0.00 C ATOM 703 C GLU A 46 -10.922 -0.250 0.996 1.00 0.00 C ATOM 704 O GLU A 46 -9.974 -0.632 1.684 1.00 0.00 O ATOM 705 CB GLU A 46 -12.042 -1.869 -0.541 1.00 0.00 C ATOM 706 CG GLU A 46 -13.127 -2.944 -0.623 1.00 0.00 C ATOM 707 CD GLU A 46 -13.034 -3.678 -1.956 1.00 0.00 C ATOM 708 OE1 GLU A 46 -13.660 -3.230 -2.902 1.00 0.00 O ATOM 709 OE2 GLU A 46 -12.339 -4.679 -2.010 1.00 0.00 O ATOM 0 H GLU A 46 -13.919 -0.359 -0.033 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.200 -1.861 1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.150 -1.165 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.056 -2.324 -0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.013 -3.650 0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.111 -2.488 -0.518 1.00 0.00 H new ATOM 716 N VAL A 47 -10.947 0.936 0.400 1.00 0.00 N ATOM 717 CA VAL A 47 -9.834 1.866 0.528 1.00 0.00 C ATOM 718 C VAL A 47 -9.682 2.326 1.977 1.00 0.00 C ATOM 719 O VAL A 47 -8.574 2.354 2.521 1.00 0.00 O ATOM 720 CB VAL A 47 -10.059 3.080 -0.379 1.00 0.00 C ATOM 721 CG1 VAL A 47 -9.005 4.151 -0.078 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.937 2.652 -1.841 1.00 0.00 C ATOM 0 H VAL A 47 -11.720 1.274 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.920 1.354 0.226 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.054 3.486 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.168 5.013 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.086 4.459 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.010 3.744 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.097 3.515 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.942 2.245 -2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.685 1.890 -2.061 1.00 0.00 H new ATOM 732 N GLU A 48 -10.802 2.687 2.597 1.00 0.00 N ATOM 733 CA GLU A 48 -10.777 3.147 3.979 1.00 0.00 C ATOM 734 C GLU A 48 -10.293 2.034 4.899 1.00 0.00 C ATOM 735 O GLU A 48 -9.403 2.242 5.722 1.00 0.00 O ATOM 736 CB GLU A 48 -12.179 3.592 4.402 1.00 0.00 C ATOM 737 CG GLU A 48 -12.610 4.795 3.560 1.00 0.00 C ATOM 738 CD GLU A 48 -11.739 6.003 3.888 1.00 0.00 C ATOM 739 OE1 GLU A 48 -11.138 6.004 4.949 1.00 0.00 O ATOM 740 OE2 GLU A 48 -11.686 6.910 3.073 1.00 0.00 O ATOM 0 H GLU A 48 -11.728 2.670 2.169 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.090 3.990 4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.886 2.773 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.185 3.855 5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.528 4.555 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.657 5.028 3.754 1.00 0.00 H new ATOM 747 N GLN A 49 -10.879 0.851 4.752 1.00 0.00 N ATOM 748 CA GLN A 49 -10.495 -0.285 5.579 1.00 0.00 C ATOM 749 C GLN A 49 -8.991 -0.522 5.492 1.00 0.00 C ATOM 750 O GLN A 49 -8.344 -0.816 6.497 1.00 0.00 O ATOM 751 CB GLN A 49 -11.243 -1.540 5.116 1.00 0.00 C ATOM 752 CG GLN A 49 -12.726 -1.419 5.471 1.00 0.00 C ATOM 753 CD GLN A 49 -12.907 -1.477 6.984 1.00 0.00 C ATOM 754 OE1 GLN A 49 -12.460 -2.426 7.626 1.00 0.00 O ATOM 755 NE2 GLN A 49 -13.534 -0.510 7.596 1.00 0.00 N ATOM 0 H GLN A 49 -11.615 0.655 4.074 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.757 -0.068 6.615 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.126 -1.668 4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.817 -2.424 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.125 -0.481 5.084 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.288 -2.224 4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.904 0.276 7.062 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.654 -0.540 8.608 1.00 0.00 H new ATOM 764 N MET A 50 -8.443 -0.386 4.292 1.00 0.00 N ATOM 765 CA MET A 50 -7.008 -0.579 4.095 1.00 0.00 C ATOM 766 C MET A 50 -6.214 0.481 4.855 1.00 0.00 C ATOM 767 O MET A 50 -5.172 0.186 5.454 1.00 0.00 O ATOM 768 CB MET A 50 -6.678 -0.491 2.604 1.00 0.00 C ATOM 769 CG MET A 50 -7.121 -1.777 1.908 1.00 0.00 C ATOM 770 SD MET A 50 -6.964 -1.572 0.114 1.00 0.00 S ATOM 771 CE MET A 50 -5.159 -1.563 0.037 1.00 0.00 C ATOM 0 H MET A 50 -8.961 -0.145 3.447 1.00 0.00 H new ATOM 0 HA MET A 50 -6.734 -1.563 4.476 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.181 0.368 2.159 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.607 -0.340 2.466 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.511 -2.615 2.245 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.153 -2.009 2.170 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.839 -1.534 -1.005 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.777 -0.685 0.558 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.770 -2.464 0.511 1.00 0.00 H new ATOM 781 N ILE A 51 -6.716 1.712 4.835 1.00 0.00 N ATOM 782 CA ILE A 51 -6.047 2.803 5.533 1.00 0.00 C ATOM 783 C ILE A 51 -6.061 2.572 7.038 1.00 0.00 C ATOM 784 O ILE A 51 -5.063 2.798 7.714 1.00 0.00 O ATOM 785 CB ILE A 51 -6.729 4.135 5.208 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.474 4.490 3.743 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.165 5.241 6.107 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.350 5.678 3.344 1.00 0.00 C ATOM 0 H ILE A 51 -7.573 1.977 4.349 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.011 2.837 5.196 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.801 4.043 5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.422 4.735 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.694 3.633 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.654 6.186 5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.347 4.989 7.152 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.092 5.335 5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.167 5.930 2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.400 5.416 3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.108 6.536 3.972 1.00 0.00 H new ATOM 800 N LYS A 52 -7.206 2.141 7.560 1.00 0.00 N ATOM 801 CA LYS A 52 -7.338 1.910 8.994 1.00 0.00 C ATOM 802 C LYS A 52 -6.365 0.832 9.453 1.00 0.00 C ATOM 803 O LYS A 52 -5.680 0.991 10.463 1.00 0.00 O ATOM 804 CB LYS A 52 -8.769 1.471 9.318 1.00 0.00 C ATOM 805 CG LYS A 52 -9.733 2.609 9.003 1.00 0.00 C ATOM 806 CD LYS A 52 -11.154 2.211 9.411 1.00 0.00 C ATOM 807 CE LYS A 52 -12.113 3.374 9.141 1.00 0.00 C ATOM 808 NZ LYS A 52 -13.494 2.982 9.545 1.00 0.00 N ATOM 0 H LYS A 52 -8.048 1.946 7.017 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.110 2.839 9.517 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.030 0.587 8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.847 1.195 10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.431 3.511 9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.702 2.841 7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.470 1.330 8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.178 1.945 10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.797 4.257 9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.093 3.638 8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.146 3.771 9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.793 2.151 8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.507 2.750 10.559 1.00 0.00 H new ATOM 822 N GLU A 53 -6.310 -0.265 8.705 1.00 0.00 N ATOM 823 CA GLU A 53 -5.419 -1.364 9.057 1.00 0.00 C ATOM 824 C GLU A 53 -3.971 -0.886 9.093 1.00 0.00 C ATOM 825 O GLU A 53 -3.241 -1.155 10.050 1.00 0.00 O ATOM 826 CB GLU A 53 -5.559 -2.493 8.036 1.00 0.00 C ATOM 827 CG GLU A 53 -6.949 -3.117 8.150 1.00 0.00 C ATOM 828 CD GLU A 53 -7.084 -3.859 9.474 1.00 0.00 C ATOM 829 OE1 GLU A 53 -6.231 -4.681 9.759 1.00 0.00 O ATOM 830 OE2 GLU A 53 -8.039 -3.591 10.186 1.00 0.00 O ATOM 0 H GLU A 53 -6.864 -0.416 7.862 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.694 -1.731 10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.404 -2.107 7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.794 -3.250 8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.711 -2.341 8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.117 -3.804 7.321 1.00 0.00 H new ATOM 837 N ALA A 54 -3.562 -0.173 8.050 1.00 0.00 N ATOM 838 CA ALA A 54 -2.198 0.344 7.983 1.00 0.00 C ATOM 839 C ALA A 54 -2.012 1.504 8.958 1.00 0.00 C ATOM 840 O ALA A 54 -0.985 1.606 9.621 1.00 0.00 O ATOM 841 CB ALA A 54 -1.888 0.813 6.553 1.00 0.00 C ATOM 0 H ALA A 54 -4.147 0.059 7.247 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.511 -0.456 8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.869 1.198 6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.989 -0.026 5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.586 1.601 6.269 1.00 0.00 H new ATOM 847 N ASP A 55 -3.008 2.379 9.019 1.00 0.00 N ATOM 848 CA ASP A 55 -2.945 3.538 9.901 1.00 0.00 C ATOM 849 C ASP A 55 -3.261 3.134 11.330 1.00 0.00 C ATOM 850 O ASP A 55 -4.303 2.536 11.596 1.00 0.00 O ATOM 851 CB ASP A 55 -3.947 4.604 9.445 1.00 0.00 C ATOM 852 CG ASP A 55 -3.799 5.857 10.300 1.00 0.00 C ATOM 853 OD1 ASP A 55 -3.016 5.822 11.232 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.466 6.833 10.008 1.00 0.00 O ATOM 0 H ASP A 55 -3.865 2.309 8.471 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.935 3.946 9.858 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.779 4.848 8.396 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.963 4.218 9.524 1.00 0.00 H new ATOM 859 N LEU A 56 -2.360 3.467 12.249 1.00 0.00 N ATOM 860 CA LEU A 56 -2.555 3.143 13.663 1.00 0.00 C ATOM 861 C LEU A 56 -2.883 4.387 14.461 1.00 0.00 C ATOM 862 O LEU A 56 -3.138 4.306 15.660 1.00 0.00 O ATOM 863 CB LEU A 56 -1.286 2.481 14.228 1.00 0.00 C ATOM 864 CG LEU A 56 -1.327 0.970 13.951 1.00 0.00 C ATOM 865 CD1 LEU A 56 -2.455 0.313 14.778 1.00 0.00 C ATOM 866 CD2 LEU A 56 -1.572 0.732 12.452 1.00 0.00 C ATOM 0 H LEU A 56 -1.490 3.959 12.044 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.393 2.450 13.744 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.400 2.921 13.771 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.215 2.663 15.300 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.374 0.525 14.238 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.478 -0.758 14.576 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.271 0.478 15.840 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.413 0.754 14.502 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.601 -0.339 12.254 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.522 1.181 12.163 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.766 1.186 11.875 1.00 0.00 H new ATOM 878 N ASP A 57 -2.878 5.533 13.795 1.00 0.00 N ATOM 879 CA ASP A 57 -3.182 6.801 14.454 1.00 0.00 C ATOM 880 C ASP A 57 -4.442 7.423 13.868 1.00 0.00 C ATOM 881 O ASP A 57 -4.871 8.493 14.296 1.00 0.00 O ATOM 882 CB ASP A 57 -2.005 7.761 14.289 1.00 0.00 C ATOM 883 CG ASP A 57 -1.545 7.784 12.833 1.00 0.00 C ATOM 884 OD1 ASP A 57 -1.165 6.738 12.333 1.00 0.00 O ATOM 885 OD2 ASP A 57 -1.575 8.848 12.243 1.00 0.00 O ATOM 0 H ASP A 57 -2.667 5.614 12.800 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.351 6.611 15.514 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.297 8.763 14.602 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.182 7.453 14.934 1.00 0.00 H new ATOM 890 N GLY A 58 -5.033 6.745 12.888 1.00 0.00 N ATOM 891 CA GLY A 58 -6.247 7.244 12.254 1.00 0.00 C ATOM 892 C GLY A 58 -6.127 8.732 11.941 1.00 0.00 C ATOM 893 O GLY A 58 -6.975 9.529 12.340 1.00 0.00 O ATOM 0 H GLY A 58 -4.694 5.857 12.519 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.436 6.689 11.335 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.101 7.074 12.910 1.00 0.00 H new ATOM 897 N ASP A 59 -5.069 9.099 11.226 1.00 0.00 N ATOM 898 CA ASP A 59 -4.847 10.497 10.863 1.00 0.00 C ATOM 899 C ASP A 59 -5.484 10.805 9.514 1.00 0.00 C ATOM 900 O ASP A 59 -5.428 11.938 9.038 1.00 0.00 O ATOM 901 CB ASP A 59 -3.348 10.790 10.798 1.00 0.00 C ATOM 902 CG ASP A 59 -2.663 9.792 9.874 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.332 8.873 9.434 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.481 9.958 9.624 1.00 0.00 O ATOM 0 H ASP A 59 -4.355 8.454 10.887 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.307 11.127 11.624 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.183 11.805 10.437 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.914 10.732 11.796 1.00 0.00 H new ATOM 909 N GLY A 60 -6.099 9.794 8.908 1.00 0.00 N ATOM 910 CA GLY A 60 -6.752 9.972 7.615 1.00 0.00 C ATOM 911 C GLY A 60 -5.772 9.740 6.475 1.00 0.00 C ATOM 912 O GLY A 60 -6.159 9.704 5.308 1.00 0.00 O ATOM 0 H GLY A 60 -6.159 8.849 9.288 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.589 9.279 7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.164 10.979 7.547 1.00 0.00 H new ATOM 916 N GLN A 61 -4.496 9.590 6.816 1.00 0.00 N ATOM 917 CA GLN A 61 -3.458 9.366 5.811 1.00 0.00 C ATOM 918 C GLN A 61 -2.477 8.299 6.281 1.00 0.00 C ATOM 919 O GLN A 61 -2.316 8.066 7.482 1.00 0.00 O ATOM 920 CB GLN A 61 -2.712 10.672 5.541 1.00 0.00 C ATOM 921 CG GLN A 61 -2.007 11.133 6.818 1.00 0.00 C ATOM 922 CD GLN A 61 -1.399 12.515 6.609 1.00 0.00 C ATOM 923 OE1 GLN A 61 -1.063 12.895 5.408 1.00 0.00 O flip ATOM 924 NE2 GLN A 61 -1.224 13.268 7.567 1.00 0.00 N flip ATOM 0 H GLN A 61 -4.155 9.619 7.777 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.932 9.021 4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.984 10.528 4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.410 11.438 5.202 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.716 11.160 7.645 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.228 10.421 7.090 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.488 12.969 8.506 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.815 14.191 7.422 1.00 0.00 H new ATOM 933 N VAL A 62 -1.824 7.645 5.326 1.00 0.00 N ATOM 934 CA VAL A 62 -0.859 6.596 5.651 1.00 0.00 C ATOM 935 C VAL A 62 0.561 7.145 5.592 1.00 0.00 C ATOM 936 O VAL A 62 0.945 7.804 4.623 1.00 0.00 O ATOM 937 CB VAL A 62 -0.998 5.438 4.666 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.231 4.225 5.193 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.475 5.081 4.505 1.00 0.00 C ATOM 0 H VAL A 62 -1.942 7.819 4.328 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.061 6.240 6.661 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.589 5.731 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.330 3.398 4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.822 4.481 5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.638 3.929 6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.575 4.254 3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.886 4.787 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.019 5.946 4.127 1.00 0.00 H new ATOM 949 N ASN A 63 1.337 6.872 6.638 1.00 0.00 N ATOM 950 CA ASN A 63 2.720 7.340 6.702 1.00 0.00 C ATOM 951 C ASN A 63 3.660 6.314 6.079 1.00 0.00 C ATOM 952 O ASN A 63 3.335 5.129 5.994 1.00 0.00 O ATOM 953 CB ASN A 63 3.122 7.586 8.157 1.00 0.00 C ATOM 954 CG ASN A 63 2.330 8.758 8.726 1.00 0.00 C ATOM 955 OD1 ASN A 63 1.137 8.894 8.454 1.00 0.00 O ATOM 956 ND2 ASN A 63 2.926 9.619 9.503 1.00 0.00 N ATOM 0 H ASN A 63 1.034 6.332 7.449 1.00 0.00 H new ATOM 0 HA ASN A 63 2.795 8.273 6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.938 6.690 8.750 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.190 7.795 8.217 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.404 10.407 9.887 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.914 9.505 9.727 1.00 0.00 H new ATOM 963 N TYR A 64 4.826 6.777 5.641 1.00 0.00 N ATOM 964 CA TYR A 64 5.802 5.888 5.022 1.00 0.00 C ATOM 965 C TYR A 64 6.062 4.677 5.913 1.00 0.00 C ATOM 966 O TYR A 64 6.046 3.538 5.447 1.00 0.00 O ATOM 967 CB TYR A 64 7.117 6.641 4.794 1.00 0.00 C ATOM 968 CG TYR A 64 8.156 5.694 4.244 1.00 0.00 C ATOM 969 CD1 TYR A 64 8.281 5.514 2.861 1.00 0.00 C ATOM 970 CD2 TYR A 64 8.993 4.991 5.119 1.00 0.00 C ATOM 971 CE1 TYR A 64 9.240 4.633 2.354 1.00 0.00 C ATOM 972 CE2 TYR A 64 9.954 4.109 4.611 1.00 0.00 C ATOM 973 CZ TYR A 64 10.078 3.930 3.229 1.00 0.00 C ATOM 974 OH TYR A 64 11.025 3.061 2.727 1.00 0.00 O ATOM 0 H TYR A 64 5.116 7.753 5.702 1.00 0.00 H new ATOM 0 HA TYR A 64 5.403 5.546 4.067 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.959 7.466 4.100 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.466 7.075 5.731 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.636 6.056 2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.897 5.129 6.186 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.335 4.494 1.287 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.600 3.567 5.286 1.00 0.00 H new ATOM 0 HH TYR A 64 11.523 2.656 3.468 1.00 0.00 H new ATOM 984 N GLU A 65 6.294 4.928 7.195 1.00 0.00 N ATOM 985 CA GLU A 65 6.553 3.847 8.140 1.00 0.00 C ATOM 986 C GLU A 65 5.379 2.868 8.165 1.00 0.00 C ATOM 987 O GLU A 65 5.572 1.654 8.224 1.00 0.00 O ATOM 988 CB GLU A 65 6.780 4.424 9.541 1.00 0.00 C ATOM 989 CG GLU A 65 5.463 4.978 10.088 1.00 0.00 C ATOM 990 CD GLU A 65 5.721 5.794 11.347 1.00 0.00 C ATOM 991 OE1 GLU A 65 6.727 6.481 11.390 1.00 0.00 O ATOM 992 OE2 GLU A 65 4.907 5.719 12.253 1.00 0.00 O ATOM 0 H GLU A 65 6.308 5.863 7.603 1.00 0.00 H new ATOM 0 HA GLU A 65 7.448 3.312 7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.165 3.651 10.206 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.530 5.214 9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.981 5.600 9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.779 4.159 10.310 1.00 0.00 H new ATOM 999 N GLU A 66 4.165 3.406 8.123 1.00 0.00 N ATOM 1000 CA GLU A 66 2.971 2.581 8.140 1.00 0.00 C ATOM 1001 C GLU A 66 2.880 1.747 6.869 1.00 0.00 C ATOM 1002 O GLU A 66 2.464 0.589 6.903 1.00 0.00 O ATOM 1003 CB GLU A 66 1.725 3.460 8.272 1.00 0.00 C ATOM 1004 CG GLU A 66 1.690 4.100 9.662 1.00 0.00 C ATOM 1005 CD GLU A 66 0.495 5.037 9.777 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.236 5.153 8.807 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.331 5.628 10.831 1.00 0.00 O ATOM 0 H GLU A 66 3.986 4.409 8.077 1.00 0.00 H new ATOM 0 HA GLU A 66 3.029 1.910 8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.731 4.234 7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.828 2.862 8.114 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.629 3.325 10.426 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.613 4.652 9.840 1.00 0.00 H new ATOM 1014 N PHE A 67 3.276 2.343 5.750 1.00 0.00 N ATOM 1015 CA PHE A 67 3.247 1.643 4.470 1.00 0.00 C ATOM 1016 C PHE A 67 4.234 0.480 4.473 1.00 0.00 C ATOM 1017 O PHE A 67 3.901 -0.634 4.069 1.00 0.00 O ATOM 1018 CB PHE A 67 3.589 2.609 3.338 1.00 0.00 C ATOM 1019 CG PHE A 67 3.530 1.878 2.017 1.00 0.00 C ATOM 1020 CD1 PHE A 67 2.292 1.515 1.473 1.00 0.00 C ATOM 1021 CD2 PHE A 67 4.712 1.562 1.337 1.00 0.00 C ATOM 1022 CE1 PHE A 67 2.237 0.836 0.249 1.00 0.00 C ATOM 1023 CE2 PHE A 67 4.657 0.885 0.114 1.00 0.00 C ATOM 1024 CZ PHE A 67 3.420 0.521 -0.429 1.00 0.00 C ATOM 0 H PHE A 67 3.619 3.302 5.702 1.00 0.00 H new ATOM 0 HA PHE A 67 2.243 1.249 4.315 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.889 3.445 3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.584 3.027 3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.380 1.758 1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.667 1.841 1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.282 0.556 -0.171 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.569 0.643 -0.411 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.378 -0.004 -1.372 1.00 0.00 H new ATOM 1034 N VAL A 68 5.453 0.749 4.932 1.00 0.00 N ATOM 1035 CA VAL A 68 6.484 -0.281 4.984 1.00 0.00 C ATOM 1036 C VAL A 68 6.048 -1.423 5.893 1.00 0.00 C ATOM 1037 O VAL A 68 6.204 -2.593 5.552 1.00 0.00 O ATOM 1038 CB VAL A 68 7.795 0.315 5.505 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.819 -0.806 5.725 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.343 1.312 4.480 1.00 0.00 C ATOM 0 H VAL A 68 5.749 1.664 5.271 1.00 0.00 H new ATOM 0 HA VAL A 68 6.637 -0.668 3.976 1.00 0.00 H new ATOM 0 HB VAL A 68 7.610 0.826 6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.751 -0.380 6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.430 -1.517 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.005 -1.319 4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.276 1.737 4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.526 0.799 3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.617 2.110 4.325 1.00 0.00 H new ATOM 1050 N LYS A 69 5.504 -1.075 7.048 1.00 0.00 N ATOM 1051 CA LYS A 69 5.052 -2.088 7.986 1.00 0.00 C ATOM 1052 C LYS A 69 3.953 -2.940 7.366 1.00 0.00 C ATOM 1053 O LYS A 69 3.933 -4.163 7.522 1.00 0.00 O ATOM 1054 CB LYS A 69 4.529 -1.405 9.273 1.00 0.00 C ATOM 1055 CG LYS A 69 3.049 -1.776 9.525 1.00 0.00 C ATOM 1056 CD LYS A 69 2.635 -1.347 10.924 1.00 0.00 C ATOM 1057 CE LYS A 69 2.427 0.156 10.965 1.00 0.00 C ATOM 1058 NZ LYS A 69 1.828 0.538 12.265 1.00 0.00 N ATOM 0 H LYS A 69 5.366 -0.112 7.355 1.00 0.00 H new ATOM 0 HA LYS A 69 5.892 -2.737 8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.136 -1.710 10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.628 -0.323 9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.413 -1.291 8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.910 -2.851 9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.716 -1.858 11.213 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.401 -1.636 11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.379 0.669 10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.776 0.466 10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.515 1.529 12.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.012 -0.075 12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.536 0.429 13.019 1.00 0.00 H new ATOM 1072 N MET A 70 3.004 -2.282 6.703 1.00 0.00 N ATOM 1073 CA MET A 70 1.884 -2.984 6.116 1.00 0.00 C ATOM 1074 C MET A 70 2.345 -3.885 4.991 1.00 0.00 C ATOM 1075 O MET A 70 1.870 -5.006 4.850 1.00 0.00 O ATOM 1076 CB MET A 70 0.856 -1.974 5.589 1.00 0.00 C ATOM 1077 CG MET A 70 -0.340 -2.729 4.984 1.00 0.00 C ATOM 1078 SD MET A 70 -1.872 -2.207 5.788 1.00 0.00 S ATOM 1079 CE MET A 70 -1.963 -3.547 6.992 1.00 0.00 C ATOM 0 H MET A 70 2.995 -1.272 6.564 1.00 0.00 H new ATOM 0 HA MET A 70 1.422 -3.603 6.885 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.519 -1.326 6.398 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.314 -1.332 4.836 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.398 -2.536 3.913 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.203 -3.803 5.108 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.481 -3.199 7.886 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.508 -4.387 6.561 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.955 -3.866 7.258 1.00 0.00 H new ATOM 1089 N MET A 71 3.278 -3.386 4.194 1.00 0.00 N ATOM 1090 CA MET A 71 3.809 -4.155 3.078 1.00 0.00 C ATOM 1091 C MET A 71 4.638 -5.331 3.584 1.00 0.00 C ATOM 1092 O MET A 71 4.654 -6.395 2.973 1.00 0.00 O ATOM 1093 CB MET A 71 4.672 -3.256 2.189 1.00 0.00 C ATOM 1094 CG MET A 71 3.782 -2.458 1.234 1.00 0.00 C ATOM 1095 SD MET A 71 3.313 -3.512 -0.163 1.00 0.00 S ATOM 1096 CE MET A 71 1.555 -3.092 -0.198 1.00 0.00 C ATOM 0 H MET A 71 3.682 -2.455 4.298 1.00 0.00 H new ATOM 0 HA MET A 71 2.973 -4.543 2.495 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.259 -2.576 2.806 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.378 -3.862 1.621 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.891 -2.107 1.755 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.311 -1.575 0.877 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.186 -3.154 -1.222 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.002 -3.790 0.430 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.416 -2.078 0.177 1.00 0.00 H new ATOM 1106 N MET A 72 5.331 -5.128 4.699 1.00 0.00 N ATOM 1107 CA MET A 72 6.162 -6.180 5.266 1.00 0.00 C ATOM 1108 C MET A 72 5.302 -7.214 5.984 1.00 0.00 C ATOM 1109 O MET A 72 5.442 -8.416 5.758 1.00 0.00 O ATOM 1110 CB MET A 72 7.160 -5.571 6.255 1.00 0.00 C ATOM 1111 CG MET A 72 8.308 -6.554 6.492 1.00 0.00 C ATOM 1112 SD MET A 72 9.344 -6.635 5.008 1.00 0.00 S ATOM 1113 CE MET A 72 9.969 -4.933 5.061 1.00 0.00 C ATOM 0 H MET A 72 5.334 -4.253 5.223 1.00 0.00 H new ATOM 0 HA MET A 72 6.700 -6.672 4.456 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.548 -4.630 5.864 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.662 -5.343 7.197 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.903 -6.236 7.348 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.913 -7.542 6.728 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.979 -4.903 4.651 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.319 -4.288 4.470 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.986 -4.584 6.093 1.00 0.00 H new ATOM 1123 N THR A 73 4.417 -6.739 6.854 1.00 0.00 N ATOM 1124 CA THR A 73 3.544 -7.630 7.609 1.00 0.00 C ATOM 1125 C THR A 73 2.628 -8.406 6.669 1.00 0.00 C ATOM 1126 O THR A 73 2.151 -9.489 7.005 1.00 0.00 O ATOM 1127 CB THR A 73 2.696 -6.825 8.595 1.00 0.00 C ATOM 1128 OG1 THR A 73 3.540 -5.978 9.361 1.00 0.00 O ATOM 1129 CG2 THR A 73 1.947 -7.780 9.524 1.00 0.00 C ATOM 0 H THR A 73 4.286 -5.747 7.053 1.00 0.00 H new ATOM 0 HA THR A 73 4.168 -8.335 8.158 1.00 0.00 H new ATOM 0 HB THR A 73 1.976 -6.219 8.046 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.563 -5.086 8.956 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.343 -7.205 10.226 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.299 -8.428 8.934 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.664 -8.388 10.075 1.00 0.00 H new ATOM 1137 N VAL A 74 2.387 -7.845 5.490 1.00 0.00 N ATOM 1138 CA VAL A 74 1.525 -8.495 4.510 1.00 0.00 C ATOM 1139 C VAL A 74 1.899 -9.967 4.349 1.00 0.00 C ATOM 1140 O VAL A 74 1.171 -10.738 3.727 1.00 0.00 O ATOM 1141 CB VAL A 74 1.641 -7.782 3.153 1.00 0.00 C ATOM 1142 CG1 VAL A 74 2.858 -8.316 2.381 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.369 -8.026 2.338 1.00 0.00 C ATOM 0 H VAL A 74 2.772 -6.949 5.191 1.00 0.00 H new ATOM 0 HA VAL A 74 0.497 -8.434 4.866 1.00 0.00 H new ATOM 0 HB VAL A 74 1.768 -6.712 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.933 -7.805 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.764 -8.135 2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.742 -9.387 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.451 -7.521 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.240 -9.096 2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.492 -7.635 2.881 1.00 0.00 H new ATOM 1153 N ARG A 75 3.047 -10.345 4.902 1.00 0.00 N ATOM 1154 CA ARG A 75 3.521 -11.723 4.817 1.00 0.00 C ATOM 1155 C ARG A 75 3.382 -12.418 6.159 1.00 0.00 C ATOM 1156 O ARG A 75 3.448 -11.781 7.207 1.00 0.00 O ATOM 1157 CB ARG A 75 4.986 -11.746 4.372 1.00 0.00 C ATOM 1158 CG ARG A 75 5.083 -11.396 2.876 1.00 0.00 C ATOM 1159 CD ARG A 75 4.853 -12.654 2.035 1.00 0.00 C ATOM 1160 NE ARG A 75 5.045 -12.359 0.622 1.00 0.00 N ATOM 1161 CZ ARG A 75 4.406 -13.049 -0.317 1.00 0.00 C ATOM 1162 NH1 ARG A 75 3.591 -14.011 0.021 1.00 0.00 N ATOM 1163 NH2 ARG A 75 4.596 -12.766 -1.574 1.00 0.00 N ATOM 0 H ARG A 75 3.667 -9.717 5.414 1.00 0.00 H new ATOM 0 HA ARG A 75 2.913 -12.253 4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.565 -11.034 4.960 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.415 -12.732 4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.343 -10.637 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.063 -10.973 2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.542 -13.439 2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.844 -13.031 2.201 1.00 0.00 H new ATOM 0 HE ARG A 75 5.681 -11.610 0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.445 -14.233 1.006 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.100 -14.541 -0.700 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.235 -12.015 -1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.106 -13.295 -2.296 1.00 0.00 H new ATOM 1177 N GLY A 76 3.190 -13.732 6.118 1.00 0.00 N ATOM 1178 CA GLY A 76 3.042 -14.513 7.341 1.00 0.00 C ATOM 1179 C GLY A 76 1.575 -14.680 7.703 1.00 0.00 C ATOM 1180 O GLY A 76 1.217 -15.560 8.486 1.00 0.00 O ATOM 0 H GLY A 76 3.133 -14.276 5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.502 -15.492 7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.569 -14.020 8.158 1.00 0.00 H new ATOM 1184 N GLY A 77 0.724 -13.836 7.128 1.00 0.00 N ATOM 1185 CA GLY A 77 -0.711 -13.899 7.399 1.00 0.00 C ATOM 1186 C GLY A 77 -1.134 -12.787 8.348 1.00 0.00 C ATOM 1187 O GLY A 77 -1.726 -13.047 9.393 1.00 0.00 O ATOM 0 H GLY A 77 1.000 -13.103 6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.266 -13.815 6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.961 -14.867 7.833 1.00 0.00 H new ATOM 1191 N GLY A 78 -0.829 -11.548 7.980 1.00 0.00 N ATOM 1192 CA GLY A 78 -1.187 -10.397 8.810 1.00 0.00 C ATOM 1193 C GLY A 78 -1.745 -9.265 7.957 1.00 0.00 C ATOM 1194 O GLY A 78 -1.881 -8.136 8.425 1.00 0.00 O ATOM 0 H GLY A 78 -0.337 -11.312 7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.926 -10.696 9.554 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.309 -10.049 9.354 1.00 0.00 H new ATOM 1198 N GLY A 79 -2.071 -9.572 6.705 1.00 0.00 N ATOM 1199 CA GLY A 79 -2.621 -8.571 5.794 1.00 0.00 C ATOM 1200 C GLY A 79 -4.142 -8.661 5.744 1.00 0.00 C ATOM 1201 O GLY A 79 -4.718 -9.726 5.974 1.00 0.00 O ATOM 0 H GLY A 79 -1.965 -10.501 6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.322 -7.574 6.118 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.211 -8.718 4.795 1.00 0.00 H new ATOM 1205 N GLY A 80 -4.785 -7.539 5.448 1.00 0.00 N ATOM 1206 CA GLY A 80 -6.240 -7.500 5.372 1.00 0.00 C ATOM 1207 C GLY A 80 -6.731 -8.059 4.042 1.00 0.00 C ATOM 1208 O GLY A 80 -6.033 -8.830 3.388 1.00 0.00 O ATOM 0 H GLY A 80 -4.326 -6.648 5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.666 -8.077 6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.587 -6.473 5.490 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.935 -7.663 3.648 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.512 -8.127 2.389 1.00 0.00 C ATOM 1214 C ASN A 81 -8.075 -7.234 1.230 1.00 0.00 C ATOM 1215 O ASN A 81 -7.785 -7.714 0.129 1.00 0.00 O ATOM 1216 CB ASN A 81 -10.039 -8.132 2.487 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.641 -8.674 1.195 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -10.208 -9.712 0.695 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -11.620 -8.030 0.621 1.00 0.00 N ATOM 0 H ASN A 81 -8.529 -7.025 4.177 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.155 -9.140 2.201 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.356 -8.745 3.331 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.403 -7.122 2.672 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.028 -8.387 -0.243 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.978 -7.170 1.037 1.00 0.00 H new ATOM 1226 N GLY A 82 -8.021 -5.929 1.484 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.619 -4.984 0.453 1.00 0.00 C ATOM 1228 C GLY A 82 -6.125 -5.083 0.157 1.00 0.00 C ATOM 1229 O GLY A 82 -5.718 -5.241 -0.995 1.00 0.00 O ATOM 0 H GLY A 82 -8.248 -5.508 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.185 -5.175 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.862 -3.970 0.772 1.00 0.00 H new ATOM 1233 N TRP A 83 -5.313 -4.999 1.208 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.867 -5.087 1.049 1.00 0.00 C ATOM 1235 C TRP A 83 -3.492 -6.413 0.393 1.00 0.00 C ATOM 1236 O TRP A 83 -2.640 -6.457 -0.494 1.00 0.00 O ATOM 1237 CB TRP A 83 -3.185 -4.975 2.412 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.366 -3.590 2.949 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -4.112 -3.268 4.030 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.810 -2.341 2.448 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -4.053 -1.902 4.223 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.260 -1.287 3.276 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.967 -2.025 1.367 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.886 0.035 3.043 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.589 -0.695 1.128 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -2.047 0.334 1.963 1.00 0.00 C ATOM 0 H TRP A 83 -5.629 -4.871 2.169 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.532 -4.268 0.413 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.609 -5.703 3.104 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.123 -5.205 2.319 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.664 -3.966 4.643 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.536 -1.408 4.973 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.609 -2.810 0.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.241 0.823 3.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.941 -0.462 0.296 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.753 1.356 1.773 1.00 0.00 H new ATOM 1257 N SER A 84 -4.134 -7.491 0.838 1.00 0.00 N ATOM 1258 CA SER A 84 -3.860 -8.810 0.283 1.00 0.00 C ATOM 1259 C SER A 84 -4.196 -8.841 -1.202 1.00 0.00 C ATOM 1260 O SER A 84 -3.490 -9.472 -1.989 1.00 0.00 O ATOM 1261 CB SER A 84 -4.688 -9.866 1.017 1.00 0.00 C ATOM 1262 OG SER A 84 -6.069 -9.555 0.883 1.00 0.00 O ATOM 0 H SER A 84 -4.840 -7.476 1.574 1.00 0.00 H new ATOM 0 HA SER A 84 -2.799 -9.027 0.411 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.484 -10.855 0.606 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.410 -9.895 2.071 1.00 0.00 H new ATOM 0 HG SER A 84 -6.167 -8.651 0.518 1.00 0.00 H new ATOM 1268 N ARG A 85 -5.263 -8.144 -1.583 1.00 0.00 N ATOM 1269 CA ARG A 85 -5.664 -8.090 -2.987 1.00 0.00 C ATOM 1270 C ARG A 85 -4.631 -7.356 -3.824 1.00 0.00 C ATOM 1271 O ARG A 85 -4.307 -7.776 -4.937 1.00 0.00 O ATOM 1272 CB ARG A 85 -7.025 -7.399 -3.106 1.00 0.00 C ATOM 1273 CG ARG A 85 -8.131 -8.334 -2.585 1.00 0.00 C ATOM 1274 CD ARG A 85 -8.652 -9.203 -3.731 1.00 0.00 C ATOM 1275 NE ARG A 85 -9.358 -8.376 -4.701 1.00 0.00 N ATOM 1276 CZ ARG A 85 -9.944 -8.917 -5.764 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -9.892 -10.207 -5.951 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -10.571 -8.158 -6.621 1.00 0.00 N ATOM 0 H ARG A 85 -5.860 -7.614 -0.948 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.739 -9.110 -3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.023 -6.470 -2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.219 -7.134 -4.145 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.741 -8.964 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.946 -7.748 -2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.822 -9.717 -4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.320 -9.972 -3.341 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.403 -7.367 -4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.402 -10.800 -5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.342 -10.623 -6.767 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.611 -7.149 -6.475 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.021 -8.574 -7.437 1.00 0.00 H new ATOM 1292 N LEU A 86 -4.115 -6.262 -3.284 1.00 0.00 N ATOM 1293 CA LEU A 86 -3.106 -5.487 -3.985 1.00 0.00 C ATOM 1294 C LEU A 86 -1.795 -6.260 -4.048 1.00 0.00 C ATOM 1295 O LEU A 86 -1.095 -6.239 -5.060 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.892 -4.143 -3.282 1.00 0.00 C ATOM 1297 CG LEU A 86 -1.722 -3.391 -3.929 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -2.031 -3.133 -5.413 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -1.507 -2.063 -3.207 1.00 0.00 C ATOM 0 H LEU A 86 -4.377 -5.894 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.452 -5.302 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.800 -3.542 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.689 -4.306 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.817 -3.993 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.198 -2.599 -5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.177 -4.084 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.937 -2.533 -5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.676 -1.529 -3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.411 -1.459 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.281 -2.252 -2.158 1.00 0.00 H new ATOM 1311 N ARG A 87 -1.446 -6.908 -2.943 1.00 0.00 N ATOM 1312 CA ARG A 87 -0.199 -7.656 -2.874 1.00 0.00 C ATOM 1313 C ARG A 87 -0.334 -8.993 -3.581 1.00 0.00 C ATOM 1314 O ARG A 87 0.664 -9.671 -3.832 1.00 0.00 O ATOM 1315 CB ARG A 87 0.202 -7.867 -1.400 1.00 0.00 C ATOM 1316 CG ARG A 87 1.729 -7.995 -1.287 1.00 0.00 C ATOM 1317 CD ARG A 87 2.368 -6.595 -1.314 1.00 0.00 C ATOM 1318 NE ARG A 87 3.614 -6.629 -2.074 1.00 0.00 N ATOM 1319 CZ ARG A 87 4.039 -5.564 -2.749 1.00 0.00 C ATOM 1320 NH1 ARG A 87 3.335 -4.462 -2.740 1.00 0.00 N ATOM 1321 NH2 ARG A 87 5.156 -5.614 -3.419 1.00 0.00 N ATOM 0 H ARG A 87 -2.004 -6.930 -2.090 1.00 0.00 H new ATOM 0 HA ARG A 87 0.580 -7.084 -3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.147 -7.030 -0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.277 -8.765 -1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.994 -8.509 -0.363 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.115 -8.598 -2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.678 -5.880 -1.763 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.562 -6.255 -0.297 1.00 0.00 H new ATOM 0 HE ARG A 87 4.169 -7.485 -2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.461 -4.419 -2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.660 -3.645 -3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.708 -6.472 -3.427 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.478 -4.795 -3.935 1.00 0.00 H new ATOM 1335 N ARG A 88 -1.567 -9.363 -3.897 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.811 -10.613 -4.601 1.00 0.00 C ATOM 1337 C ARG A 88 -1.169 -10.566 -5.983 1.00 0.00 C ATOM 1338 O ARG A 88 -0.386 -11.445 -6.346 1.00 0.00 O ATOM 1339 CB ARG A 88 -3.317 -10.845 -4.739 1.00 0.00 C ATOM 1340 CG ARG A 88 -3.571 -12.171 -5.454 1.00 0.00 C ATOM 1341 CD ARG A 88 -5.072 -12.439 -5.512 1.00 0.00 C ATOM 1342 NE ARG A 88 -5.323 -13.763 -6.066 1.00 0.00 N ATOM 1343 CZ ARG A 88 -6.533 -14.111 -6.491 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -7.521 -13.262 -6.414 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -6.734 -15.302 -6.986 1.00 0.00 N ATOM 0 H ARG A 88 -2.405 -8.823 -3.680 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.372 -11.432 -4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.785 -10.856 -3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.771 -10.027 -5.298 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.158 -12.138 -6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.066 -12.982 -4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.501 -12.367 -4.513 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.561 -11.681 -6.124 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.557 -14.434 -6.129 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.365 -12.331 -6.028 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.450 -13.529 -6.740 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.962 -15.966 -7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.663 -15.569 -7.312 1.00 0.00 H new ATOM 1359 N LYS A 89 -1.493 -9.520 -6.735 1.00 0.00 N ATOM 1360 CA LYS A 89 -0.919 -9.352 -8.065 1.00 0.00 C ATOM 1361 C LYS A 89 0.568 -9.074 -7.957 1.00 0.00 C ATOM 1362 O LYS A 89 1.350 -9.995 -7.734 1.00 0.00 O ATOM 1363 CB LYS A 89 -1.601 -8.202 -8.804 1.00 0.00 C ATOM 1364 CG LYS A 89 -3.043 -8.596 -9.128 1.00 0.00 C ATOM 1365 CD LYS A 89 -3.735 -7.444 -9.858 1.00 0.00 C ATOM 1366 CE LYS A 89 -5.190 -7.819 -10.139 1.00 0.00 C ATOM 1367 NZ LYS A 89 -5.233 -8.950 -11.108 1.00 0.00 N ATOM 0 H LYS A 89 -2.141 -8.785 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.077 -10.273 -8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -1.587 -7.301 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -1.060 -7.972 -9.722 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.056 -9.493 -9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -3.581 -8.835 -8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.692 -6.538 -9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.217 -7.228 -10.792 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.690 -8.101 -9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.727 -6.960 -10.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.186 -9.019 -11.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.541 -8.784 -11.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.002 -9.837 -10.617 1.00 0.00 H new ATOM 1381 N PHE A 90 0.950 -7.802 -8.104 1.00 0.00 N ATOM 1382 CA PHE A 90 2.360 -7.402 -8.034 1.00 0.00 C ATOM 1383 C PHE A 90 3.273 -8.546 -8.485 1.00 0.00 C ATOM 1384 O PHE A 90 4.350 -8.760 -7.929 1.00 0.00 O ATOM 1385 CB PHE A 90 2.702 -6.977 -6.588 1.00 0.00 C ATOM 1386 CG PHE A 90 2.658 -5.471 -6.466 1.00 0.00 C ATOM 1387 CD1 PHE A 90 3.519 -4.687 -7.246 1.00 0.00 C ATOM 1388 CD2 PHE A 90 1.763 -4.863 -5.585 1.00 0.00 C ATOM 1389 CE1 PHE A 90 3.483 -3.297 -7.141 1.00 0.00 C ATOM 1390 CE2 PHE A 90 1.727 -3.472 -5.481 1.00 0.00 C ATOM 1391 CZ PHE A 90 2.586 -2.688 -6.258 1.00 0.00 C ATOM 0 H PHE A 90 0.303 -7.031 -8.272 1.00 0.00 H new ATOM 0 HA PHE A 90 2.522 -6.559 -8.706 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.995 -7.427 -5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.692 -7.343 -6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.210 -5.159 -7.928 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.099 -5.468 -4.985 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.147 -2.692 -7.741 1.00 0.00 H new ATOM 0 HE2 PHE A 90 1.035 -3.000 -4.799 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.556 -1.612 -6.176 1.00 0.00 H new ATOM 1401 N SER A 91 2.826 -9.285 -9.491 1.00 0.00 N ATOM 1402 CA SER A 91 3.601 -10.414 -9.980 1.00 0.00 C ATOM 1403 C SER A 91 5.034 -9.988 -10.260 1.00 0.00 C ATOM 1404 O SER A 91 5.979 -10.625 -9.796 1.00 0.00 O ATOM 1405 CB SER A 91 2.968 -10.951 -11.262 1.00 0.00 C ATOM 1406 OG SER A 91 3.903 -11.791 -11.926 1.00 0.00 O ATOM 0 H SER A 91 1.944 -9.126 -9.978 1.00 0.00 H new ATOM 0 HA SER A 91 3.607 -11.194 -9.219 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.061 -11.509 -11.029 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.676 -10.126 -11.912 1.00 0.00 H new ATOM 0 HG SER A 91 3.502 -12.140 -12.749 1.00 0.00 H new ATOM 1412 N SER A 92 5.190 -8.903 -11.008 1.00 0.00 N ATOM 1413 CA SER A 92 6.520 -8.398 -11.334 1.00 0.00 C ATOM 1414 C SER A 92 7.449 -9.543 -11.725 1.00 0.00 C ATOM 1415 O SER A 92 7.195 -10.166 -12.741 1.00 0.00 O ATOM 1416 CB SER A 92 7.103 -7.651 -10.135 1.00 0.00 C ATOM 1417 OG SER A 92 6.128 -6.749 -9.624 1.00 0.00 O ATOM 1418 OXT SER A 92 8.402 -9.779 -10.999 1.00 0.00 O ATOM 0 H SER A 92 4.420 -8.359 -11.398 1.00 0.00 H new ATOM 0 HA SER A 92 6.431 -7.715 -12.179 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.402 -8.358 -9.361 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.999 -7.106 -10.432 1.00 0.00 H new ATOM 0 HG SER A 92 5.547 -7.220 -8.991 1.00 0.00 H new TER 1424 SER A 92 HETATM 1425 CA CA A 196 -0.015 11.724 -1.469 1.00 0.00 CA HETATM 1426 CA CA A 209 -1.301 7.300 9.767 1.00 0.00 CA