USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1084 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 135 GLN : amide:sc= -14.7! C(o=-20!,f=-22!) USER MOD Set 1.2: A 137 ASN : amide:sc= -5.33! C(o=-20!,f=-26!) USER MOD Single : A 3 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.32) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0744 F(o=-1.6,f=-0.074) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0599 USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= -2.24 (180deg=-2.28) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 30 LYS NZ :NH3+ -120:sc= -0.161 (180deg=-0.692) USER MOD Single : A 34 THR OG1 : rot -103:sc= -1.11 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 10:sc= 0.564! USER MOD Single : A 41 GLN : amide:sc=-0.00972 K(o=-0.0097,f=-1.2) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.0139 F(o=-0.8,f=-0.014) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 49 GLN : amide:sc= -0.0288 K(o=-0.029,f=-2.2!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 86:sc= 0.369! USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -120:sc= -0.0301 (180deg=-0.406) USER MOD Single : A 75 LYS NZ :NH3+ -152:sc= -0.0855 (180deg=-0.604) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 81 SER OG : rot -41:sc= 0.685! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -7.28! C(o=-7.3!,f=-7.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HE2:sc= -0.776 K(o=-0.78,f=-2.7!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 93:sc= 0.343 USER MOD Single : A 111 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.9!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00411 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot -31:sc= -1.3 USER MOD Single : A 143 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.24) USER MOD Single : A 144 MET CE :methyl -135:sc=-0.00248 (180deg=-0.137) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot 68:sc= -0.374 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 3 49.672 -15.532 15.189 1.00 20.16 N ATOM 2 CA GLN A 3 50.746 -16.111 14.391 1.00 19.97 C ATOM 3 C GLN A 3 50.759 -15.505 12.991 1.00 17.59 C ATOM 4 O GLN A 3 50.052 -15.969 12.096 1.00 19.14 O ATOM 5 CB GLN A 3 50.564 -17.627 14.292 1.00 20.20 C ATOM 6 CG GLN A 3 51.778 -18.243 13.594 1.00 23.46 C ATOM 7 CD GLN A 3 53.048 -17.909 14.368 1.00 22.58 C ATOM 8 OE1 GLN A 3 53.369 -18.575 15.353 1.00 23.20 O ATOM 9 NE2 GLN A 3 53.795 -16.912 13.980 1.00 23.18 N ATOM 0 HA GLN A 3 51.696 -15.891 14.879 1.00 19.97 H new ATOM 0 HB2 GLN A 3 50.447 -18.056 15.287 1.00 20.20 H new ATOM 0 HB3 GLN A 3 49.655 -17.859 13.737 1.00 20.20 H new ATOM 0 HG2 GLN A 3 51.658 -19.324 13.524 1.00 23.46 H new ATOM 0 HG3 GLN A 3 51.853 -17.864 12.575 1.00 23.46 H new ATOM 0 HE21 GLN A 3 53.527 -16.362 13.164 1.00 23.18 H new ATOM 0 HE22 GLN A 3 54.647 -16.683 14.493 1.00 23.18 H new ATOM 18 N LEU A 4 51.568 -14.466 12.809 1.00 13.49 N ATOM 19 CA LEU A 4 51.665 -13.803 11.513 1.00 12.54 C ATOM 20 C LEU A 4 52.499 -14.636 10.545 1.00 9.75 C ATOM 21 O LEU A 4 53.628 -15.019 10.854 1.00 11.53 O ATOM 22 CB LEU A 4 52.302 -12.422 11.681 1.00 12.03 C ATOM 23 CG LEU A 4 51.694 -11.452 10.667 1.00 14.38 C ATOM 24 CD1 LEU A 4 50.444 -10.804 11.266 1.00 12.06 C ATOM 25 CD2 LEU A 4 52.716 -10.366 10.324 1.00 13.89 C ATOM 0 H LEU A 4 52.162 -14.067 13.536 1.00 13.49 H new ATOM 0 HA LEU A 4 50.660 -13.693 11.106 1.00 12.54 H new ATOM 0 HB2 LEU A 4 52.138 -12.055 12.694 1.00 12.03 H new ATOM 0 HB3 LEU A 4 53.380 -12.487 11.536 1.00 12.03 H new ATOM 0 HG LEU A 4 51.423 -11.996 9.762 1.00 14.38 H new ATOM 0 HD11 LEU A 4 50.011 -10.113 10.543 1.00 12.06 H new ATOM 0 HD12 LEU A 4 49.715 -11.577 11.511 1.00 12.06 H new ATOM 0 HD13 LEU A 4 50.714 -10.260 12.171 1.00 12.06 H new ATOM 0 HD21 LEU A 4 52.283 -9.674 9.601 1.00 13.89 H new ATOM 0 HD22 LEU A 4 52.987 -9.823 11.229 1.00 13.89 H new ATOM 0 HD23 LEU A 4 53.607 -10.827 9.897 1.00 13.89 H new ATOM 37 N THR A 5 51.936 -14.912 9.373 1.00 7.34 N ATOM 38 CA THR A 5 52.638 -15.700 8.367 1.00 2.31 C ATOM 39 C THR A 5 53.731 -14.869 7.703 1.00 2.00 C ATOM 40 O THR A 5 53.603 -13.652 7.566 1.00 2.00 O ATOM 41 CB THR A 5 51.651 -16.191 7.305 1.00 2.00 C ATOM 42 OG1 THR A 5 50.354 -16.288 7.875 1.00 2.35 O ATOM 43 CG2 THR A 5 52.090 -17.563 6.792 1.00 2.65 C ATOM 0 H THR A 5 51.003 -14.604 9.098 1.00 7.34 H new ATOM 0 HA THR A 5 53.097 -16.557 8.859 1.00 2.31 H new ATOM 0 HB THR A 5 51.631 -15.486 6.474 1.00 2.00 H new ATOM 0 HG1 THR A 5 49.721 -16.601 7.196 1.00 2.35 H new ATOM 0 HG21 THR A 5 51.386 -17.911 6.036 1.00 2.65 H new ATOM 0 HG22 THR A 5 53.085 -17.486 6.354 1.00 2.65 H new ATOM 0 HG23 THR A 5 52.112 -18.271 7.620 1.00 2.65 H new ATOM 51 N GLU A 6 54.807 -15.534 7.294 1.00 2.00 N ATOM 52 CA GLU A 6 55.917 -14.846 6.646 1.00 2.00 C ATOM 53 C GLU A 6 55.419 -14.010 5.471 1.00 2.00 C ATOM 54 O GLU A 6 55.837 -12.866 5.290 1.00 2.00 O ATOM 55 CB GLU A 6 56.945 -15.865 6.150 1.00 2.00 C ATOM 56 CG GLU A 6 57.364 -16.772 7.308 1.00 2.39 C ATOM 57 CD GLU A 6 57.991 -18.053 6.766 1.00 7.12 C ATOM 58 OE1 GLU A 6 58.966 -17.951 6.040 1.00 4.58 O ATOM 59 OE2 GLU A 6 57.485 -19.117 7.084 1.00 2.00 O ATOM 0 H GLU A 6 54.933 -16.541 7.399 1.00 2.00 H new ATOM 0 HA GLU A 6 56.384 -14.184 7.375 1.00 2.00 H new ATOM 0 HB2 GLU A 6 56.521 -16.461 5.342 1.00 2.00 H new ATOM 0 HB3 GLU A 6 57.816 -15.351 5.743 1.00 2.00 H new ATOM 0 HG2 GLU A 6 58.076 -16.252 7.949 1.00 2.39 H new ATOM 0 HG3 GLU A 6 56.498 -17.013 7.924 1.00 2.39 H new ATOM 66 N GLU A 7 54.523 -14.588 4.677 1.00 2.00 N ATOM 67 CA GLU A 7 53.975 -13.885 3.523 1.00 2.00 C ATOM 68 C GLU A 7 53.449 -12.513 3.932 1.00 2.00 C ATOM 69 O GLU A 7 53.415 -11.584 3.124 1.00 2.00 O ATOM 70 CB GLU A 7 52.841 -14.704 2.903 1.00 2.00 C ATOM 71 CG GLU A 7 52.271 -13.955 1.697 1.00 2.00 C ATOM 72 CD GLU A 7 51.028 -13.173 2.108 1.00 6.50 C ATOM 73 OE1 GLU A 7 50.207 -12.907 1.246 1.00 4.99 O ATOM 74 OE2 GLU A 7 50.914 -12.853 3.280 1.00 6.85 O ATOM 0 H GLU A 7 54.164 -15.533 4.810 1.00 2.00 H new ATOM 0 HA GLU A 7 54.771 -13.753 2.790 1.00 2.00 H new ATOM 0 HB2 GLU A 7 53.211 -15.682 2.595 1.00 2.00 H new ATOM 0 HB3 GLU A 7 52.057 -14.877 3.641 1.00 2.00 H new ATOM 0 HG2 GLU A 7 53.021 -13.275 1.293 1.00 2.00 H new ATOM 0 HG3 GLU A 7 52.021 -14.661 0.905 1.00 2.00 H new ATOM 81 N GLN A 8 53.040 -12.392 5.190 1.00 2.00 N ATOM 82 CA GLN A 8 52.517 -11.129 5.696 1.00 2.00 C ATOM 83 C GLN A 8 53.649 -10.254 6.227 1.00 2.00 C ATOM 84 O GLN A 8 53.692 -9.052 5.966 1.00 2.26 O ATOM 85 CB GLN A 8 51.507 -11.391 6.814 1.00 2.98 C ATOM 86 CG GLN A 8 50.129 -11.662 6.206 1.00 3.96 C ATOM 87 CD GLN A 8 49.118 -11.944 7.312 1.00 6.08 C ATOM 88 OE1 GLN A 8 49.483 -12.638 8.355 1.00 7.35 O flip ATOM 89 NE2 GLN A 8 47.965 -11.521 7.223 1.00 15.10 N flip ATOM 0 H GLN A 8 53.060 -13.148 5.874 1.00 2.00 H new ATOM 0 HA GLN A 8 52.024 -10.608 4.875 1.00 2.00 H new ATOM 0 HB2 GLN A 8 51.826 -12.244 7.413 1.00 2.98 H new ATOM 0 HB3 GLN A 8 51.458 -10.532 7.483 1.00 2.98 H new ATOM 0 HG2 GLN A 8 49.807 -10.803 5.618 1.00 3.96 H new ATOM 0 HG3 GLN A 8 50.183 -12.512 5.526 1.00 3.96 H new ATOM 0 HE21 GLN A 8 47.682 -10.979 6.407 1.00 15.10 H new ATOM 0 HE22 GLN A 8 47.293 -11.713 7.966 1.00 15.10 H new ATOM 98 N ILE A 9 54.562 -10.867 6.973 1.00 2.00 N ATOM 99 CA ILE A 9 55.691 -10.134 7.535 1.00 2.00 C ATOM 100 C ILE A 9 56.517 -9.488 6.428 1.00 3.62 C ATOM 101 O ILE A 9 57.121 -8.434 6.626 1.00 2.00 O ATOM 102 CB ILE A 9 56.575 -11.081 8.348 1.00 2.16 C ATOM 103 CG1 ILE A 9 55.780 -11.622 9.539 1.00 2.00 C ATOM 104 CG2 ILE A 9 57.801 -10.321 8.858 1.00 4.72 C ATOM 105 CD1 ILE A 9 56.578 -12.735 10.222 1.00 2.00 C ATOM 0 H ILE A 9 54.543 -11.861 7.201 1.00 2.00 H new ATOM 0 HA ILE A 9 55.303 -9.350 8.186 1.00 2.00 H new ATOM 0 HB ILE A 9 56.897 -11.910 7.718 1.00 2.16 H new ATOM 0 HG12 ILE A 9 55.575 -10.820 10.248 1.00 2.00 H new ATOM 0 HG13 ILE A 9 54.816 -12.005 9.203 1.00 2.00 H new ATOM 0 HG21 ILE A 9 58.432 -10.995 9.438 1.00 4.72 H new ATOM 0 HG22 ILE A 9 58.367 -9.933 8.011 1.00 4.72 H new ATOM 0 HG23 ILE A 9 57.479 -9.493 9.489 1.00 4.72 H new ATOM 0 HD11 ILE A 9 56.012 -13.120 11.070 1.00 2.00 H new ATOM 0 HD12 ILE A 9 56.760 -13.541 9.511 1.00 2.00 H new ATOM 0 HD13 ILE A 9 57.531 -12.337 10.572 1.00 2.00 H new ATOM 117 N ALA A 10 56.539 -10.127 5.263 1.00 5.09 N ATOM 118 CA ALA A 10 57.296 -9.603 4.132 1.00 5.63 C ATOM 119 C ALA A 10 56.631 -8.345 3.580 1.00 4.82 C ATOM 120 O ALA A 10 57.238 -7.274 3.548 1.00 4.15 O ATOM 121 CB ALA A 10 57.387 -10.659 3.030 1.00 6.68 C ATOM 0 H ALA A 10 56.046 -11.001 5.078 1.00 5.09 H new ATOM 0 HA ALA A 10 58.299 -9.350 4.476 1.00 5.63 H new ATOM 0 HB1 ALA A 10 57.954 -10.259 2.189 1.00 6.68 H new ATOM 0 HB2 ALA A 10 57.888 -11.546 3.417 1.00 6.68 H new ATOM 0 HB3 ALA A 10 56.384 -10.925 2.697 1.00 6.68 H new ATOM 127 N GLU A 11 55.383 -8.483 3.147 1.00 2.54 N ATOM 128 CA GLU A 11 54.645 -7.351 2.598 1.00 3.13 C ATOM 129 C GLU A 11 54.847 -6.109 3.461 1.00 5.12 C ATOM 130 O GLU A 11 55.009 -5.003 2.945 1.00 4.53 O ATOM 131 CB GLU A 11 53.154 -7.686 2.523 1.00 2.38 C ATOM 132 CG GLU A 11 52.505 -6.879 1.397 1.00 4.44 C ATOM 133 CD GLU A 11 50.986 -6.958 1.508 1.00 7.86 C ATOM 134 OE1 GLU A 11 50.507 -7.284 2.581 1.00 9.34 O ATOM 135 OE2 GLU A 11 50.325 -6.692 0.518 1.00 18.49 O ATOM 0 H GLU A 11 54.864 -9.361 3.165 1.00 2.54 H new ATOM 0 HA GLU A 11 55.022 -7.148 1.596 1.00 3.13 H new ATOM 0 HB2 GLU A 11 53.019 -8.753 2.345 1.00 2.38 H new ATOM 0 HB3 GLU A 11 52.671 -7.458 3.473 1.00 2.38 H new ATOM 0 HG2 GLU A 11 52.828 -5.839 1.450 1.00 4.44 H new ATOM 0 HG3 GLU A 11 52.828 -7.264 0.430 1.00 4.44 H new ATOM 142 N PHE A 12 54.836 -6.300 4.776 1.00 3.94 N ATOM 143 CA PHE A 12 55.019 -5.186 5.700 1.00 5.41 C ATOM 144 C PHE A 12 56.345 -4.481 5.433 1.00 3.84 C ATOM 145 O PHE A 12 56.417 -3.252 5.438 1.00 4.14 O ATOM 146 CB PHE A 12 54.991 -5.695 7.143 1.00 4.97 C ATOM 147 CG PHE A 12 53.573 -5.664 7.661 1.00 7.97 C ATOM 148 CD1 PHE A 12 52.873 -4.453 7.714 1.00 13.16 C ATOM 149 CD2 PHE A 12 52.958 -6.847 8.090 1.00 11.29 C ATOM 150 CE1 PHE A 12 51.558 -4.425 8.194 1.00 14.89 C ATOM 151 CE2 PHE A 12 51.644 -6.819 8.570 1.00 13.52 C ATOM 152 CZ PHE A 12 50.944 -5.608 8.623 1.00 12.41 C ATOM 0 H PHE A 12 54.704 -7.207 5.223 1.00 3.94 H new ATOM 0 HA PHE A 12 54.206 -4.476 5.549 1.00 5.41 H new ATOM 0 HB2 PHE A 12 55.384 -6.711 7.189 1.00 4.97 H new ATOM 0 HB3 PHE A 12 55.632 -5.076 7.771 1.00 4.97 H new ATOM 0 HD1 PHE A 12 53.347 -3.540 7.385 1.00 13.16 H new ATOM 0 HD2 PHE A 12 53.498 -7.781 8.050 1.00 11.29 H new ATOM 0 HE1 PHE A 12 51.017 -3.491 8.233 1.00 14.89 H new ATOM 0 HE2 PHE A 12 51.170 -7.732 8.900 1.00 13.52 H new ATOM 0 HZ PHE A 12 49.930 -5.586 8.995 1.00 12.41 H new ATOM 162 N LYS A 13 57.391 -5.267 5.202 1.00 4.24 N ATOM 163 CA LYS A 13 58.711 -4.707 4.934 1.00 5.23 C ATOM 164 C LYS A 13 58.638 -3.673 3.815 1.00 4.55 C ATOM 165 O LYS A 13 59.287 -2.630 3.878 1.00 2.18 O ATOM 166 CB LYS A 13 59.682 -5.822 4.540 1.00 7.96 C ATOM 167 CG LYS A 13 61.115 -5.289 4.583 1.00 10.74 C ATOM 168 CD LYS A 13 62.098 -6.456 4.469 1.00 12.48 C ATOM 169 CE LYS A 13 62.524 -6.904 5.868 1.00 16.63 C ATOM 170 NZ LYS A 13 63.634 -6.034 6.352 1.00 18.39 N ATOM 0 H LYS A 13 57.352 -6.286 5.195 1.00 4.24 H new ATOM 0 HA LYS A 13 59.068 -4.219 5.841 1.00 5.23 H new ATOM 0 HB2 LYS A 13 59.577 -6.668 5.220 1.00 7.96 H new ATOM 0 HB3 LYS A 13 59.448 -6.186 3.540 1.00 7.96 H new ATOM 0 HG2 LYS A 13 61.276 -4.583 3.768 1.00 10.74 H new ATOM 0 HG3 LYS A 13 61.285 -4.746 5.513 1.00 10.74 H new ATOM 0 HD2 LYS A 13 61.634 -7.286 3.936 1.00 12.48 H new ATOM 0 HD3 LYS A 13 62.971 -6.154 3.891 1.00 12.48 H new ATOM 0 HE2 LYS A 13 61.678 -6.847 6.553 1.00 16.63 H new ATOM 0 HE3 LYS A 13 62.847 -7.945 5.846 1.00 16.63 H new ATOM 0 HZ1 LYS A 13 63.924 -6.338 7.303 1.00 18.39 H new ATOM 0 HZ2 LYS A 13 64.443 -6.110 5.703 1.00 18.39 H new ATOM 0 HZ3 LYS A 13 63.310 -5.046 6.388 1.00 18.39 H new ATOM 184 N GLU A 14 57.842 -3.970 2.793 1.00 5.40 N ATOM 185 CA GLU A 14 57.692 -3.058 1.666 1.00 5.67 C ATOM 186 C GLU A 14 57.160 -1.708 2.136 1.00 6.21 C ATOM 187 O GLU A 14 57.589 -0.659 1.656 1.00 5.40 O ATOM 188 CB GLU A 14 56.733 -3.655 0.634 1.00 7.02 C ATOM 189 CG GLU A 14 57.124 -3.175 -0.765 1.00 9.36 C ATOM 190 CD GLU A 14 58.297 -3.995 -1.289 1.00 16.81 C ATOM 191 OE1 GLU A 14 58.113 -4.696 -2.271 1.00 18.47 O ATOM 192 OE2 GLU A 14 59.363 -3.910 -0.702 1.00 22.76 O ATOM 0 H GLU A 14 57.295 -4.828 2.722 1.00 5.40 H new ATOM 0 HA GLU A 14 58.671 -2.911 1.210 1.00 5.67 H new ATOM 0 HB2 GLU A 14 56.766 -4.744 0.679 1.00 7.02 H new ATOM 0 HB3 GLU A 14 55.709 -3.357 0.859 1.00 7.02 H new ATOM 0 HG2 GLU A 14 56.274 -3.268 -1.441 1.00 9.36 H new ATOM 0 HG3 GLU A 14 57.393 -2.119 -0.734 1.00 9.36 H new ATOM 199 N ALA A 15 56.223 -1.743 3.078 1.00 5.16 N ATOM 200 CA ALA A 15 55.639 -0.516 3.607 1.00 5.07 C ATOM 201 C ALA A 15 56.708 0.340 4.279 1.00 5.10 C ATOM 202 O ALA A 15 56.769 1.552 4.068 1.00 5.67 O ATOM 203 CB ALA A 15 54.542 -0.852 4.618 1.00 5.43 C ATOM 0 H ALA A 15 55.854 -2.601 3.488 1.00 5.16 H new ATOM 0 HA ALA A 15 55.208 0.045 2.778 1.00 5.07 H new ATOM 0 HB1 ALA A 15 54.112 0.070 5.008 1.00 5.43 H new ATOM 0 HB2 ALA A 15 53.763 -1.437 4.129 1.00 5.43 H new ATOM 0 HB3 ALA A 15 54.968 -1.429 5.439 1.00 5.43 H new ATOM 209 N PHE A 16 57.548 -0.296 5.088 1.00 4.72 N ATOM 210 CA PHE A 16 58.610 0.419 5.785 1.00 6.21 C ATOM 211 C PHE A 16 59.469 1.200 4.795 1.00 7.11 C ATOM 212 O PHE A 16 59.569 2.424 4.877 1.00 4.60 O ATOM 213 CB PHE A 16 59.488 -0.570 6.555 1.00 6.80 C ATOM 214 CG PHE A 16 60.052 0.106 7.782 1.00 5.05 C ATOM 215 CD1 PHE A 16 59.403 -0.028 9.015 1.00 6.58 C ATOM 216 CD2 PHE A 16 61.223 0.867 7.686 1.00 10.31 C ATOM 217 CE1 PHE A 16 59.926 0.599 10.153 1.00 4.50 C ATOM 218 CE2 PHE A 16 61.746 1.493 8.824 1.00 10.06 C ATOM 219 CZ PHE A 16 61.097 1.359 10.057 1.00 13.28 C ATOM 0 H PHE A 16 57.515 -1.298 5.276 1.00 4.72 H new ATOM 0 HA PHE A 16 58.153 1.119 6.484 1.00 6.21 H new ATOM 0 HB2 PHE A 16 58.903 -1.443 6.844 1.00 6.80 H new ATOM 0 HB3 PHE A 16 60.298 -0.926 5.918 1.00 6.80 H new ATOM 0 HD1 PHE A 16 58.499 -0.615 9.089 1.00 6.58 H new ATOM 0 HD2 PHE A 16 61.723 0.971 6.734 1.00 10.31 H new ATOM 0 HE1 PHE A 16 59.426 0.496 11.104 1.00 4.50 H new ATOM 0 HE2 PHE A 16 62.650 2.079 8.750 1.00 10.06 H new ATOM 0 HZ PHE A 16 61.500 1.842 10.935 1.00 13.28 H new ATOM 229 N SER A 17 60.085 0.484 3.860 1.00 6.98 N ATOM 230 CA SER A 17 60.933 1.122 2.859 1.00 7.97 C ATOM 231 C SER A 17 60.228 2.331 2.253 1.00 7.13 C ATOM 232 O SER A 17 60.871 3.228 1.707 1.00 8.83 O ATOM 233 CB SER A 17 61.277 0.123 1.754 1.00 10.21 C ATOM 234 OG SER A 17 61.449 -1.167 2.325 1.00 12.16 O ATOM 0 H SER A 17 60.014 -0.530 3.774 1.00 6.98 H new ATOM 0 HA SER A 17 61.850 1.456 3.345 1.00 7.97 H new ATOM 0 HB2 SER A 17 60.483 0.100 1.008 1.00 10.21 H new ATOM 0 HB3 SER A 17 62.188 0.431 1.240 1.00 10.21 H new ATOM 0 HG SER A 17 61.668 -1.811 1.619 1.00 12.16 H new ATOM 240 N LEU A 18 58.903 2.349 2.354 1.00 7.48 N ATOM 241 CA LEU A 18 58.120 3.453 1.812 1.00 9.00 C ATOM 242 C LEU A 18 58.005 4.580 2.834 1.00 7.93 C ATOM 243 O LEU A 18 57.884 5.750 2.471 1.00 6.26 O ATOM 244 CB LEU A 18 56.723 2.966 1.426 1.00 10.08 C ATOM 245 CG LEU A 18 56.011 4.047 0.611 1.00 14.78 C ATOM 246 CD1 LEU A 18 56.473 3.978 -0.846 1.00 17.89 C ATOM 247 CD2 LEU A 18 54.499 3.821 0.676 1.00 15.78 C ATOM 0 H LEU A 18 58.352 1.617 2.803 1.00 7.48 H new ATOM 0 HA LEU A 18 58.628 3.832 0.925 1.00 9.00 H new ATOM 0 HB2 LEU A 18 56.795 2.046 0.845 1.00 10.08 H new ATOM 0 HB3 LEU A 18 56.147 2.733 2.322 1.00 10.08 H new ATOM 0 HG LEU A 18 56.252 5.028 1.022 1.00 14.78 H new ATOM 0 HD11 LEU A 18 55.965 4.749 -1.426 1.00 17.89 H new ATOM 0 HD12 LEU A 18 57.550 4.139 -0.894 1.00 17.89 H new ATOM 0 HD13 LEU A 18 56.234 2.998 -1.258 1.00 17.89 H new ATOM 0 HD21 LEU A 18 53.991 4.591 0.095 1.00 15.78 H new ATOM 0 HD22 LEU A 18 54.260 2.840 0.266 1.00 15.78 H new ATOM 0 HD23 LEU A 18 54.168 3.871 1.713 1.00 15.78 H new ATOM 259 N PHE A 19 58.044 4.220 4.113 1.00 6.61 N ATOM 260 CA PHE A 19 57.943 5.212 5.177 1.00 3.44 C ATOM 261 C PHE A 19 59.327 5.722 5.567 1.00 5.51 C ATOM 262 O PHE A 19 59.559 6.929 5.630 1.00 6.11 O ATOM 263 CB PHE A 19 57.261 4.598 6.401 1.00 4.01 C ATOM 264 CG PHE A 19 55.763 4.678 6.236 1.00 2.30 C ATOM 265 CD1 PHE A 19 55.092 5.877 6.506 1.00 6.71 C ATOM 266 CD2 PHE A 19 55.044 3.554 5.814 1.00 9.14 C ATOM 267 CE1 PHE A 19 53.702 5.951 6.353 1.00 6.83 C ATOM 268 CE2 PHE A 19 53.654 3.628 5.662 1.00 7.38 C ATOM 269 CZ PHE A 19 52.983 4.826 5.931 1.00 6.43 C ATOM 0 H PHE A 19 58.144 3.258 4.436 1.00 6.61 H new ATOM 0 HA PHE A 19 57.348 6.049 4.812 1.00 3.44 H new ATOM 0 HB2 PHE A 19 57.569 3.559 6.519 1.00 4.01 H new ATOM 0 HB3 PHE A 19 57.567 5.126 7.304 1.00 4.01 H new ATOM 0 HD1 PHE A 19 55.646 6.745 6.832 1.00 6.71 H new ATOM 0 HD2 PHE A 19 55.561 2.629 5.605 1.00 9.14 H new ATOM 0 HE1 PHE A 19 53.184 6.876 6.561 1.00 6.83 H new ATOM 0 HE2 PHE A 19 53.100 2.760 5.337 1.00 7.38 H new ATOM 0 HZ PHE A 19 51.911 4.883 5.813 1.00 6.43 H new ATOM 279 N ASP A 20 60.244 4.795 5.826 1.00 4.53 N ATOM 280 CA ASP A 20 61.602 5.163 6.208 1.00 5.06 C ATOM 281 C ASP A 20 62.499 5.251 4.978 1.00 5.41 C ATOM 282 O ASP A 20 63.159 4.280 4.608 1.00 7.47 O ATOM 283 CB ASP A 20 62.169 4.129 7.183 1.00 3.50 C ATOM 284 CG ASP A 20 63.096 4.809 8.184 1.00 5.29 C ATOM 285 OD1 ASP A 20 63.542 4.138 9.100 1.00 4.70 O ATOM 286 OD2 ASP A 20 63.347 5.992 8.021 1.00 4.96 O ATOM 0 H ASP A 20 60.073 3.791 5.779 1.00 4.53 H new ATOM 0 HA ASP A 20 61.571 6.139 6.692 1.00 5.06 H new ATOM 0 HB2 ASP A 20 61.356 3.629 7.709 1.00 3.50 H new ATOM 0 HB3 ASP A 20 62.714 3.360 6.635 1.00 3.50 H new ATOM 291 N LYS A 21 62.516 6.421 4.348 1.00 8.35 N ATOM 292 CA LYS A 21 63.334 6.625 3.158 1.00 9.30 C ATOM 293 C LYS A 21 64.807 6.762 3.533 1.00 10.49 C ATOM 294 O LYS A 21 65.689 6.586 2.694 1.00 12.20 O ATOM 295 CB LYS A 21 62.876 7.883 2.419 1.00 10.83 C ATOM 296 CG LYS A 21 61.670 7.548 1.539 1.00 18.65 C ATOM 297 CD LYS A 21 62.133 7.343 0.095 1.00 23.74 C ATOM 298 CE LYS A 21 62.081 8.676 -0.653 1.00 21.90 C ATOM 299 NZ LYS A 21 62.652 9.751 0.207 1.00 27.75 N ATOM 0 H LYS A 21 61.977 7.237 4.639 1.00 8.35 H new ATOM 0 HA LYS A 21 63.216 5.758 2.509 1.00 9.30 H new ATOM 0 HB2 LYS A 21 62.612 8.662 3.134 1.00 10.83 H new ATOM 0 HB3 LYS A 21 63.689 8.274 1.807 1.00 10.83 H new ATOM 0 HG2 LYS A 21 61.178 6.647 1.906 1.00 18.65 H new ATOM 0 HG3 LYS A 21 60.937 8.353 1.586 1.00 18.65 H new ATOM 0 HD2 LYS A 21 63.148 6.945 0.081 1.00 23.74 H new ATOM 0 HD3 LYS A 21 61.497 6.610 -0.401 1.00 23.74 H new ATOM 0 HE2 LYS A 21 62.642 8.604 -1.585 1.00 21.90 H new ATOM 0 HE3 LYS A 21 61.052 8.916 -0.919 1.00 21.90 H new ATOM 0 HZ1 LYS A 21 62.632 10.654 -0.308 1.00 27.75 H new ATOM 0 HZ2 LYS A 21 62.088 9.836 1.077 1.00 27.75 H new ATOM 0 HZ3 LYS A 21 63.634 9.514 0.453 1.00 27.75 H new ATOM 313 N ASP A 22 65.065 7.081 4.798 1.00 10.35 N ATOM 314 CA ASP A 22 66.437 7.241 5.267 1.00 9.98 C ATOM 315 C ASP A 22 67.055 5.887 5.599 1.00 10.21 C ATOM 316 O ASP A 22 68.273 5.768 5.736 1.00 10.63 O ATOM 317 CB ASP A 22 66.462 8.134 6.509 1.00 11.16 C ATOM 318 CG ASP A 22 66.101 9.566 6.129 1.00 11.39 C ATOM 319 OD1 ASP A 22 64.919 9.846 6.010 1.00 8.03 O ATOM 320 OD2 ASP A 22 67.011 10.361 5.962 1.00 14.13 O ATOM 0 H ASP A 22 64.350 7.232 5.510 1.00 10.35 H new ATOM 0 HA ASP A 22 67.020 7.706 4.472 1.00 9.98 H new ATOM 0 HB2 ASP A 22 65.759 7.758 7.252 1.00 11.16 H new ATOM 0 HB3 ASP A 22 67.451 8.109 6.965 1.00 11.16 H new ATOM 325 N GLY A 23 66.210 4.868 5.726 1.00 8.93 N ATOM 326 CA GLY A 23 66.690 3.527 6.042 1.00 9.95 C ATOM 327 C GLY A 23 67.435 3.513 7.373 1.00 11.51 C ATOM 328 O GLY A 23 68.433 2.810 7.528 1.00 10.61 O ATOM 0 H GLY A 23 65.199 4.944 5.616 1.00 8.93 H new ATOM 0 HA2 GLY A 23 65.848 2.836 6.085 1.00 9.95 H new ATOM 0 HA3 GLY A 23 67.350 3.176 5.248 1.00 9.95 H new ATOM 332 N ASP A 24 66.944 4.295 8.329 1.00 11.42 N ATOM 333 CA ASP A 24 67.573 4.364 9.644 1.00 12.12 C ATOM 334 C ASP A 24 67.128 3.193 10.514 1.00 11.09 C ATOM 335 O ASP A 24 67.854 2.763 11.411 1.00 11.16 O ATOM 336 CB ASP A 24 67.205 5.681 10.330 1.00 12.48 C ATOM 337 CG ASP A 24 67.859 6.850 9.601 1.00 11.83 C ATOM 338 OD1 ASP A 24 67.187 7.847 9.398 1.00 10.91 O ATOM 339 OD2 ASP A 24 69.024 6.730 9.257 1.00 14.28 O ATOM 0 H ASP A 24 66.119 4.885 8.220 1.00 11.42 H new ATOM 0 HA ASP A 24 68.654 4.313 9.512 1.00 12.12 H new ATOM 0 HB2 ASP A 24 66.122 5.806 10.337 1.00 12.48 H new ATOM 0 HB3 ASP A 24 67.531 5.662 11.370 1.00 12.48 H new ATOM 344 N GLY A 25 65.932 2.682 10.245 1.00 9.38 N ATOM 345 CA GLY A 25 65.401 1.560 11.011 1.00 9.47 C ATOM 346 C GLY A 25 64.317 2.024 11.977 1.00 7.97 C ATOM 347 O GLY A 25 63.802 1.237 12.771 1.00 6.95 O ATOM 0 H GLY A 25 65.315 3.023 9.508 1.00 9.38 H new ATOM 0 HA2 GLY A 25 64.992 0.812 10.332 1.00 9.47 H new ATOM 0 HA3 GLY A 25 66.207 1.080 11.566 1.00 9.47 H new ATOM 351 N THR A 26 63.975 3.306 11.905 1.00 7.17 N ATOM 352 CA THR A 26 62.950 3.863 12.779 1.00 8.21 C ATOM 353 C THR A 26 62.205 4.995 12.078 1.00 8.10 C ATOM 354 O THR A 26 62.811 5.824 11.401 1.00 7.63 O ATOM 355 CB THR A 26 63.591 4.390 14.065 1.00 11.49 C ATOM 356 OG1 THR A 26 64.655 5.272 13.735 1.00 16.41 O ATOM 357 CG2 THR A 26 64.132 3.218 14.885 1.00 11.35 C ATOM 0 H THR A 26 64.389 3.974 11.255 1.00 7.17 H new ATOM 0 HA THR A 26 62.240 3.074 13.024 1.00 8.21 H new ATOM 0 HB THR A 26 62.844 4.925 14.651 1.00 11.49 H new ATOM 0 HG1 THR A 26 65.065 5.612 14.558 1.00 16.41 H new ATOM 0 HG21 THR A 26 64.588 3.594 15.801 1.00 11.35 H new ATOM 0 HG22 THR A 26 63.314 2.543 15.138 1.00 11.35 H new ATOM 0 HG23 THR A 26 64.879 2.680 14.302 1.00 11.35 H new ATOM 365 N ILE A 27 60.886 5.021 12.246 1.00 6.76 N ATOM 366 CA ILE A 27 60.067 6.055 11.625 1.00 3.01 C ATOM 367 C ILE A 27 59.901 7.245 12.565 1.00 4.61 C ATOM 368 O ILE A 27 59.414 7.098 13.686 1.00 4.59 O ATOM 369 CB ILE A 27 58.692 5.488 11.269 1.00 4.15 C ATOM 370 CG1 ILE A 27 58.850 4.055 10.756 1.00 8.03 C ATOM 371 CG2 ILE A 27 58.049 6.350 10.181 1.00 6.87 C ATOM 372 CD1 ILE A 27 59.755 4.050 9.523 1.00 5.23 C ATOM 0 H ILE A 27 60.365 4.343 12.803 1.00 6.76 H new ATOM 0 HA ILE A 27 60.568 6.391 10.717 1.00 3.01 H new ATOM 0 HB ILE A 27 58.058 5.490 12.156 1.00 4.15 H new ATOM 0 HG12 ILE A 27 59.276 3.424 11.535 1.00 8.03 H new ATOM 0 HG13 ILE A 27 57.875 3.638 10.506 1.00 8.03 H new ATOM 0 HG21 ILE A 27 57.069 5.945 9.928 1.00 6.87 H new ATOM 0 HG22 ILE A 27 57.937 7.371 10.545 1.00 6.87 H new ATOM 0 HG23 ILE A 27 58.682 6.349 9.294 1.00 6.87 H new ATOM 0 HD11 ILE A 27 59.867 3.029 9.158 1.00 5.23 H new ATOM 0 HD12 ILE A 27 59.310 4.667 8.743 1.00 5.23 H new ATOM 0 HD13 ILE A 27 60.734 4.450 9.788 1.00 5.23 H new ATOM 384 N THR A 28 60.309 8.421 12.101 1.00 5.54 N ATOM 385 CA THR A 28 60.201 9.629 12.911 1.00 5.59 C ATOM 386 C THR A 28 59.062 10.511 12.409 1.00 4.18 C ATOM 387 O THR A 28 58.466 10.239 11.366 1.00 3.04 O ATOM 388 CB THR A 28 61.515 10.412 12.861 1.00 7.09 C ATOM 389 OG1 THR A 28 61.834 10.710 11.509 1.00 7.62 O ATOM 390 CG2 THR A 28 62.634 9.572 13.479 1.00 7.80 C ATOM 0 H THR A 28 60.714 8.564 11.176 1.00 5.54 H new ATOM 0 HA THR A 28 59.992 9.336 13.940 1.00 5.59 H new ATOM 0 HB THR A 28 61.409 11.340 13.423 1.00 7.09 H new ATOM 0 HG1 THR A 28 62.674 11.213 11.474 1.00 7.62 H new ATOM 0 HG21 THR A 28 63.570 10.130 13.443 1.00 7.80 H new ATOM 0 HG22 THR A 28 62.387 9.343 14.516 1.00 7.80 H new ATOM 0 HG23 THR A 28 62.744 8.643 12.919 1.00 7.80 H new ATOM 398 N THR A 29 58.764 11.568 13.158 1.00 6.48 N ATOM 399 CA THR A 29 57.694 12.484 12.779 1.00 6.08 C ATOM 400 C THR A 29 58.124 13.355 11.603 1.00 6.97 C ATOM 401 O THR A 29 57.325 13.658 10.717 1.00 10.04 O ATOM 402 CB THR A 29 57.323 13.375 13.967 1.00 8.08 C ATOM 403 OG1 THR A 29 58.505 13.932 14.526 1.00 8.72 O ATOM 404 CG2 THR A 29 56.600 12.542 15.027 1.00 6.60 C ATOM 0 H THR A 29 59.244 11.810 14.025 1.00 6.48 H new ATOM 0 HA THR A 29 56.827 11.895 12.482 1.00 6.08 H new ATOM 0 HB THR A 29 56.667 14.177 13.629 1.00 8.08 H new ATOM 0 HG1 THR A 29 58.269 14.504 15.286 1.00 8.72 H new ATOM 0 HG21 THR A 29 56.337 13.178 15.872 1.00 6.60 H new ATOM 0 HG22 THR A 29 55.694 12.115 14.598 1.00 6.60 H new ATOM 0 HG23 THR A 29 57.254 11.739 15.367 1.00 6.60 H new ATOM 412 N LYS A 30 59.392 13.756 11.602 1.00 6.44 N ATOM 413 CA LYS A 30 59.916 14.593 10.529 1.00 5.32 C ATOM 414 C LYS A 30 59.749 13.901 9.180 1.00 5.11 C ATOM 415 O LYS A 30 59.508 14.552 8.163 1.00 2.00 O ATOM 416 CB LYS A 30 61.397 14.890 10.773 1.00 6.94 C ATOM 417 CG LYS A 30 61.851 16.016 9.842 1.00 11.76 C ATOM 418 CD LYS A 30 63.358 16.230 9.996 1.00 16.32 C ATOM 419 CE LYS A 30 64.098 15.462 8.899 1.00 16.38 C ATOM 420 NZ LYS A 30 63.799 16.076 7.575 1.00 12.63 N ATOM 0 H LYS A 30 60.070 13.517 12.326 1.00 6.44 H new ATOM 0 HA LYS A 30 59.356 15.528 10.517 1.00 5.32 H new ATOM 0 HB2 LYS A 30 61.555 15.177 11.813 1.00 6.94 H new ATOM 0 HB3 LYS A 30 61.993 13.995 10.596 1.00 6.94 H new ATOM 0 HG2 LYS A 30 61.612 15.766 8.808 1.00 11.76 H new ATOM 0 HG3 LYS A 30 61.316 16.936 10.079 1.00 11.76 H new ATOM 0 HD2 LYS A 30 63.593 17.292 9.933 1.00 16.32 H new ATOM 0 HD3 LYS A 30 63.686 15.889 10.978 1.00 16.32 H new ATOM 0 HE2 LYS A 30 65.171 15.482 9.087 1.00 16.38 H new ATOM 0 HE3 LYS A 30 63.793 14.416 8.904 1.00 16.38 H new ATOM 0 HZ1 LYS A 30 63.348 15.370 6.959 1.00 12.63 H new ATOM 0 HZ2 LYS A 30 63.157 16.884 7.704 1.00 12.63 H new ATOM 0 HZ3 LYS A 30 64.683 16.403 7.136 1.00 12.63 H new ATOM 434 N GLU A 31 59.879 12.578 9.178 1.00 2.00 N ATOM 435 CA GLU A 31 59.740 11.808 7.948 1.00 2.98 C ATOM 436 C GLU A 31 58.274 11.484 7.682 1.00 4.00 C ATOM 437 O GLU A 31 57.836 11.438 6.532 1.00 4.67 O ATOM 438 CB GLU A 31 60.542 10.509 8.051 1.00 2.67 C ATOM 439 CG GLU A 31 61.957 10.819 8.544 1.00 3.70 C ATOM 440 CD GLU A 31 62.959 10.618 7.412 1.00 3.21 C ATOM 441 OE1 GLU A 31 63.895 11.396 7.332 1.00 5.59 O ATOM 442 OE2 GLU A 31 62.775 9.689 6.643 1.00 4.09 O ATOM 0 H GLU A 31 60.079 12.020 10.008 1.00 2.00 H new ATOM 0 HA GLU A 31 60.124 12.406 7.122 1.00 2.98 H new ATOM 0 HB2 GLU A 31 60.050 9.819 8.736 1.00 2.67 H new ATOM 0 HB3 GLU A 31 60.584 10.017 7.079 1.00 2.67 H new ATOM 0 HG2 GLU A 31 62.008 11.845 8.908 1.00 3.70 H new ATOM 0 HG3 GLU A 31 62.209 10.171 9.383 1.00 3.70 H new ATOM 449 N LEU A 32 57.521 11.259 8.753 1.00 5.61 N ATOM 450 CA LEU A 32 56.104 10.939 8.626 1.00 5.49 C ATOM 451 C LEU A 32 55.347 12.097 7.982 1.00 6.12 C ATOM 452 O LEU A 32 54.679 11.924 6.963 1.00 5.57 O ATOM 453 CB LEU A 32 55.512 10.643 10.005 1.00 5.85 C ATOM 454 CG LEU A 32 54.201 9.872 9.846 1.00 7.72 C ATOM 455 CD1 LEU A 32 54.476 8.530 9.164 1.00 6.45 C ATOM 456 CD2 LEU A 32 53.586 9.625 11.225 1.00 7.63 C ATOM 0 H LEU A 32 57.865 11.292 9.713 1.00 5.61 H new ATOM 0 HA LEU A 32 56.005 10.059 7.991 1.00 5.49 H new ATOM 0 HB2 LEU A 32 56.218 10.061 10.598 1.00 5.85 H new ATOM 0 HB3 LEU A 32 55.335 11.574 10.543 1.00 5.85 H new ATOM 0 HG LEU A 32 53.509 10.454 9.237 1.00 7.72 H new ATOM 0 HD11 LEU A 32 53.541 7.981 9.051 1.00 6.45 H new ATOM 0 HD12 LEU A 32 54.915 8.704 8.182 1.00 6.45 H new ATOM 0 HD13 LEU A 32 55.168 7.947 9.773 1.00 6.45 H new ATOM 0 HD21 LEU A 32 52.651 9.075 11.113 1.00 7.63 H new ATOM 0 HD22 LEU A 32 54.279 9.043 11.833 1.00 7.63 H new ATOM 0 HD23 LEU A 32 53.389 10.580 11.712 1.00 7.63 H new ATOM 468 N GLY A 33 55.458 13.277 8.583 1.00 6.93 N ATOM 469 CA GLY A 33 54.780 14.457 8.059 1.00 4.91 C ATOM 470 C GLY A 33 55.195 14.728 6.617 1.00 6.07 C ATOM 471 O GLY A 33 54.351 14.944 5.748 1.00 6.12 O ATOM 0 H GLY A 33 56.007 13.441 9.427 1.00 6.93 H new ATOM 0 HA2 GLY A 33 53.701 14.314 8.110 1.00 4.91 H new ATOM 0 HA3 GLY A 33 55.016 15.322 8.678 1.00 4.91 H new ATOM 475 N THR A 34 56.501 14.716 6.371 1.00 6.25 N ATOM 476 CA THR A 34 57.017 14.962 5.029 1.00 6.89 C ATOM 477 C THR A 34 56.346 14.038 4.019 1.00 5.87 C ATOM 478 O THR A 34 56.044 14.444 2.896 1.00 4.67 O ATOM 479 CB THR A 34 58.531 14.737 5.003 1.00 7.13 C ATOM 480 OG1 THR A 34 58.907 13.935 6.114 1.00 8.73 O ATOM 481 CG2 THR A 34 59.251 16.084 5.075 1.00 9.63 C ATOM 0 H THR A 34 57.216 14.540 7.077 1.00 6.25 H new ATOM 0 HA THR A 34 56.798 15.995 4.759 1.00 6.89 H new ATOM 0 HB THR A 34 58.808 14.230 4.078 1.00 7.13 H new ATOM 0 HG1 THR A 34 59.312 14.501 6.804 1.00 8.73 H new ATOM 0 HG21 THR A 34 60.329 15.922 5.056 1.00 9.63 H new ATOM 0 HG22 THR A 34 58.961 16.697 4.222 1.00 9.63 H new ATOM 0 HG23 THR A 34 58.977 16.594 5.998 1.00 9.63 H new ATOM 489 N VAL A 35 56.114 12.794 4.425 1.00 4.87 N ATOM 490 CA VAL A 35 55.478 11.820 3.546 1.00 5.50 C ATOM 491 C VAL A 35 54.001 12.152 3.356 1.00 6.36 C ATOM 492 O VAL A 35 53.474 12.069 2.246 1.00 6.78 O ATOM 493 CB VAL A 35 55.614 10.416 4.137 1.00 7.07 C ATOM 494 CG1 VAL A 35 54.778 9.432 3.317 1.00 6.42 C ATOM 495 CG2 VAL A 35 57.083 9.988 4.101 1.00 4.61 C ATOM 0 H VAL A 35 56.355 12.438 5.350 1.00 4.87 H new ATOM 0 HA VAL A 35 55.975 11.856 2.576 1.00 5.50 H new ATOM 0 HB VAL A 35 55.261 10.421 5.168 1.00 7.07 H new ATOM 0 HG11 VAL A 35 54.876 8.432 3.739 1.00 6.42 H new ATOM 0 HG12 VAL A 35 53.731 9.735 3.341 1.00 6.42 H new ATOM 0 HG13 VAL A 35 55.130 9.427 2.286 1.00 6.42 H new ATOM 0 HG21 VAL A 35 57.181 8.987 4.522 1.00 4.61 H new ATOM 0 HG22 VAL A 35 57.436 9.984 3.070 1.00 4.61 H new ATOM 0 HG23 VAL A 35 57.680 10.688 4.686 1.00 4.61 H new ATOM 505 N MET A 36 53.339 12.529 4.445 0.50 5.82 N ATOM 506 CA MET A 36 51.923 12.872 4.385 0.50 6.35 C ATOM 507 C MET A 36 51.733 14.271 3.808 0.50 5.77 C ATOM 508 O MET A 36 50.675 14.591 3.266 0.50 6.52 O ATOM 509 CB MET A 36 51.310 12.808 5.785 0.50 6.47 C ATOM 510 CG MET A 36 51.179 11.347 6.219 0.50 7.91 C ATOM 511 SD MET A 36 49.623 10.668 5.591 0.50 9.11 S ATOM 512 CE MET A 36 50.008 8.922 5.870 0.50 10.12 C ATOM 0 H MET A 36 53.756 12.604 5.373 0.50 5.82 H new ATOM 0 HA MET A 36 51.423 12.153 3.736 0.50 6.35 H new ATOM 0 HB2 MET A 36 51.935 13.354 6.492 0.50 6.47 H new ATOM 0 HB3 MET A 36 50.331 13.288 5.787 0.50 6.47 H new ATOM 0 HG2 MET A 36 52.020 10.767 5.840 0.50 7.91 H new ATOM 0 HG3 MET A 36 51.207 11.276 7.306 0.50 7.91 H new ATOM 0 HE1 MET A 36 49.167 8.308 5.547 0.50 10.12 H new ATOM 0 HE2 MET A 36 50.897 8.650 5.300 0.50 10.12 H new ATOM 0 HE3 MET A 36 50.192 8.755 6.931 0.50 10.12 H new ATOM 522 N ARG A 37 52.765 15.100 3.927 1.00 5.54 N ATOM 523 CA ARG A 37 52.699 16.463 3.413 1.00 5.23 C ATOM 524 C ARG A 37 52.611 16.458 1.890 1.00 5.57 C ATOM 525 O ARG A 37 51.969 17.322 1.293 1.00 5.64 O ATOM 526 CB ARG A 37 53.937 17.248 3.852 1.00 5.44 C ATOM 527 CG ARG A 37 53.747 18.729 3.518 1.00 9.87 C ATOM 528 CD ARG A 37 54.729 19.568 4.338 1.00 7.40 C ATOM 529 NE ARG A 37 54.446 19.428 5.762 1.00 5.71 N ATOM 530 CZ ARG A 37 53.568 20.219 6.369 1.00 5.49 C ATOM 531 NH1 ARG A 37 53.332 20.075 7.644 1.00 4.77 N ATOM 532 NH2 ARG A 37 52.941 21.140 5.690 1.00 5.93 N ATOM 0 H ARG A 37 53.650 14.855 4.371 1.00 5.54 H new ATOM 0 HA ARG A 37 51.805 16.940 3.816 1.00 5.23 H new ATOM 0 HB2 ARG A 37 54.099 17.124 4.923 1.00 5.44 H new ATOM 0 HB3 ARG A 37 54.823 16.861 3.349 1.00 5.44 H new ATOM 0 HG2 ARG A 37 53.910 18.896 2.453 1.00 9.87 H new ATOM 0 HG3 ARG A 37 52.723 19.033 3.735 1.00 9.87 H new ATOM 0 HD2 ARG A 37 55.751 19.251 4.130 1.00 7.40 H new ATOM 0 HD3 ARG A 37 54.655 20.616 4.047 1.00 7.40 H new ATOM 0 HE ARG A 37 54.931 18.710 6.301 1.00 5.71 H new ATOM 0 HH11 ARG A 37 53.822 19.355 8.175 1.00 4.77 H new ATOM 0 HH12 ARG A 37 52.658 20.683 8.110 1.00 4.77 H new ATOM 0 HH21 ARG A 37 53.125 21.253 4.693 1.00 5.93 H new ATOM 0 HH22 ARG A 37 52.267 21.747 6.156 1.00 5.93 H new ATOM 546 N SER A 38 53.261 15.480 1.269 1.00 5.82 N ATOM 547 CA SER A 38 53.250 15.372 -0.186 1.00 6.44 C ATOM 548 C SER A 38 52.006 14.625 -0.658 1.00 7.83 C ATOM 549 O SER A 38 51.682 14.628 -1.846 1.00 7.95 O ATOM 550 CB SER A 38 54.501 14.636 -0.664 1.00 5.05 C ATOM 551 OG SER A 38 54.282 14.143 -1.979 1.00 8.15 O ATOM 0 H SER A 38 53.798 14.756 1.745 1.00 5.82 H new ATOM 0 HA SER A 38 53.238 16.378 -0.606 1.00 6.44 H new ATOM 0 HB2 SER A 38 55.359 15.308 -0.653 1.00 5.05 H new ATOM 0 HB3 SER A 38 54.733 13.813 0.012 1.00 5.05 H new ATOM 0 HG SER A 38 53.447 14.515 -2.333 1.00 8.15 H new ATOM 557 N LEU A 39 51.314 13.987 0.280 1.00 7.89 N ATOM 558 CA LEU A 39 50.107 13.239 -0.053 1.00 8.71 C ATOM 559 C LEU A 39 48.917 14.181 -0.205 1.00 8.85 C ATOM 560 O LEU A 39 47.784 13.738 -0.397 1.00 8.85 O ATOM 561 CB LEU A 39 49.811 12.212 1.042 1.00 9.15 C ATOM 562 CG LEU A 39 50.600 10.931 0.767 1.00 8.10 C ATOM 563 CD1 LEU A 39 50.389 9.944 1.917 1.00 10.10 C ATOM 564 CD2 LEU A 39 50.111 10.302 -0.539 1.00 12.78 C ATOM 0 H LEU A 39 51.565 13.972 1.268 1.00 7.89 H new ATOM 0 HA LEU A 39 50.271 12.724 -1.000 1.00 8.71 H new ATOM 0 HB2 LEU A 39 50.082 12.616 2.017 1.00 9.15 H new ATOM 0 HB3 LEU A 39 48.743 11.995 1.072 1.00 9.15 H new ATOM 0 HG LEU A 39 51.660 11.169 0.682 1.00 8.10 H new ATOM 0 HD11 LEU A 39 50.951 9.031 1.721 1.00 10.10 H new ATOM 0 HD12 LEU A 39 50.736 10.391 2.848 1.00 10.10 H new ATOM 0 HD13 LEU A 39 49.329 9.706 2.002 1.00 10.10 H new ATOM 0 HD21 LEU A 39 50.673 9.389 -0.736 1.00 12.78 H new ATOM 0 HD22 LEU A 39 49.051 10.064 -0.454 1.00 12.78 H new ATOM 0 HD23 LEU A 39 50.261 11.004 -1.359 1.00 12.78 H new ATOM 576 N GLY A 40 49.181 15.480 -0.119 1.00 9.60 N ATOM 577 CA GLY A 40 48.123 16.475 -0.249 1.00 8.71 C ATOM 578 C GLY A 40 47.453 16.736 1.096 1.00 8.84 C ATOM 579 O GLY A 40 46.426 17.411 1.168 1.00 8.80 O ATOM 0 H GLY A 40 50.112 15.867 0.039 1.00 9.60 H new ATOM 0 HA2 GLY A 40 48.538 17.404 -0.639 1.00 8.71 H new ATOM 0 HA3 GLY A 40 47.381 16.130 -0.969 1.00 8.71 H new ATOM 583 N GLN A 41 48.040 16.196 2.158 1.00 9.43 N ATOM 584 CA GLN A 41 47.491 16.377 3.497 1.00 9.39 C ATOM 585 C GLN A 41 48.273 17.441 4.260 1.00 9.13 C ATOM 586 O GLN A 41 49.481 17.588 4.077 1.00 9.37 O ATOM 587 CB GLN A 41 47.543 15.055 4.265 1.00 9.54 C ATOM 588 CG GLN A 41 46.409 15.014 5.291 1.00 14.07 C ATOM 589 CD GLN A 41 46.397 13.666 6.002 1.00 18.80 C ATOM 590 OE1 GLN A 41 46.825 12.660 5.435 1.00 20.35 O ATOM 591 NE2 GLN A 41 45.929 13.584 7.217 1.00 17.18 N ATOM 0 H GLN A 41 48.890 15.633 2.119 1.00 9.43 H new ATOM 0 HA GLN A 41 46.455 16.703 3.402 1.00 9.39 H new ATOM 0 HB2 GLN A 41 47.452 14.217 3.574 1.00 9.54 H new ATOM 0 HB3 GLN A 41 48.505 14.952 4.767 1.00 9.54 H new ATOM 0 HG2 GLN A 41 46.536 15.816 6.018 1.00 14.07 H new ATOM 0 HG3 GLN A 41 45.453 15.181 4.795 1.00 14.07 H new ATOM 0 HE21 GLN A 41 45.575 14.419 7.685 1.00 17.18 H new ATOM 0 HE22 GLN A 41 45.917 12.685 7.699 1.00 17.18 H new ATOM 600 N ASN A 42 47.574 18.181 5.115 0.50 9.56 N ATOM 601 CA ASN A 42 48.213 19.230 5.901 0.50 9.39 C ATOM 602 C ASN A 42 47.912 19.044 7.386 0.50 9.08 C ATOM 603 O ASN A 42 47.035 19.705 7.940 0.50 10.22 O ATOM 604 CB ASN A 42 47.710 20.602 5.446 0.50 9.34 C ATOM 605 CG ASN A 42 48.601 21.699 6.019 0.50 8.10 C ATOM 606 OD1 ASN A 42 49.898 21.577 5.951 0.50 6.34 O flip ATOM 607 ND2 ASN A 42 48.101 22.695 6.543 0.50 6.21 N flip ATOM 0 H ASN A 42 46.573 18.075 5.280 0.50 9.56 H new ATOM 0 HA ASN A 42 49.291 19.168 5.748 0.50 9.39 H new ATOM 0 HB2 ASN A 42 47.708 20.655 4.357 0.50 9.34 H new ATOM 0 HB3 ASN A 42 46.681 20.749 5.774 0.50 9.34 H new ATOM 0 HD21 ASN A 42 47.087 22.789 6.595 0.50 6.21 H new ATOM 0 HD22 ASN A 42 48.701 23.426 6.925 0.50 6.21 H new ATOM 614 N PRO A 43 48.622 18.157 8.029 1.00 8.50 N ATOM 615 CA PRO A 43 48.435 17.870 9.478 1.00 6.21 C ATOM 616 C PRO A 43 49.086 18.927 10.367 1.00 4.45 C ATOM 617 O PRO A 43 50.120 19.495 10.017 1.00 7.13 O ATOM 618 CB PRO A 43 49.110 16.511 9.661 1.00 6.33 C ATOM 619 CG PRO A 43 50.159 16.442 8.599 1.00 8.63 C ATOM 620 CD PRO A 43 49.686 17.327 7.441 1.00 8.24 C ATOM 0 HA PRO A 43 47.383 17.874 9.765 1.00 6.21 H new ATOM 0 HB2 PRO A 43 49.550 16.422 10.654 1.00 6.33 H new ATOM 0 HB3 PRO A 43 48.391 15.698 9.557 1.00 6.33 H new ATOM 0 HG2 PRO A 43 51.119 16.789 8.982 1.00 8.63 H new ATOM 0 HG3 PRO A 43 50.302 15.414 8.265 1.00 8.63 H new ATOM 0 HD2 PRO A 43 50.499 17.940 7.051 1.00 8.24 H new ATOM 0 HD3 PRO A 43 49.311 16.729 6.611 1.00 8.24 H new ATOM 628 N THR A 44 48.471 19.183 11.517 1.00 4.83 N ATOM 629 CA THR A 44 48.999 20.172 12.451 1.00 3.51 C ATOM 630 C THR A 44 50.160 19.586 13.248 1.00 2.59 C ATOM 631 O THR A 44 50.400 18.379 13.216 1.00 2.00 O ATOM 632 CB THR A 44 47.896 20.626 13.409 1.00 3.90 C ATOM 633 OG1 THR A 44 47.248 19.486 13.957 1.00 3.35 O ATOM 634 CG2 THR A 44 46.878 21.479 12.651 1.00 3.21 C ATOM 0 H THR A 44 47.613 18.724 11.823 1.00 4.83 H new ATOM 0 HA THR A 44 49.359 21.029 11.881 1.00 3.51 H new ATOM 0 HB THR A 44 48.334 21.217 14.213 1.00 3.90 H new ATOM 0 HG1 THR A 44 46.542 19.775 14.572 1.00 3.35 H new ATOM 0 HG21 THR A 44 46.093 21.802 13.335 1.00 3.21 H new ATOM 0 HG22 THR A 44 47.376 22.353 12.232 1.00 3.21 H new ATOM 0 HG23 THR A 44 46.438 20.891 11.845 1.00 3.21 H new ATOM 642 N GLU A 45 50.877 20.448 13.962 1.00 2.00 N ATOM 643 CA GLU A 45 52.011 20.002 14.763 1.00 3.60 C ATOM 644 C GLU A 45 51.541 19.105 15.904 1.00 4.17 C ATOM 645 O GLU A 45 52.209 18.135 16.260 1.00 5.52 O ATOM 646 CB GLU A 45 52.755 21.211 15.335 1.00 4.15 C ATOM 647 CG GLU A 45 52.938 22.263 14.239 1.00 7.46 C ATOM 648 CD GLU A 45 53.513 21.615 12.984 1.00 7.32 C ATOM 649 OE1 GLU A 45 52.736 21.086 12.206 1.00 16.78 O ATOM 650 OE2 GLU A 45 54.721 21.656 12.820 1.00 13.96 O ATOM 0 H GLU A 45 50.695 21.451 14.002 1.00 2.00 H new ATOM 0 HA GLU A 45 52.683 19.433 14.121 1.00 3.60 H new ATOM 0 HB2 GLU A 45 52.196 21.634 16.170 1.00 4.15 H new ATOM 0 HB3 GLU A 45 53.726 20.903 15.724 1.00 4.15 H new ATOM 0 HG2 GLU A 45 51.981 22.732 14.010 1.00 7.46 H new ATOM 0 HG3 GLU A 45 53.604 23.052 14.588 1.00 7.46 H new ATOM 657 N ALA A 46 50.387 19.437 16.473 1.00 4.80 N ATOM 658 CA ALA A 46 49.836 18.655 17.573 1.00 3.98 C ATOM 659 C ALA A 46 49.356 17.294 17.077 1.00 2.82 C ATOM 660 O ALA A 46 49.287 16.333 17.842 1.00 4.64 O ATOM 661 CB ALA A 46 48.669 19.406 18.216 1.00 3.36 C ATOM 0 H ALA A 46 49.819 20.236 16.193 1.00 4.80 H new ATOM 0 HA ALA A 46 50.622 18.503 18.313 1.00 3.98 H new ATOM 0 HB1 ALA A 46 48.264 18.814 19.037 1.00 3.36 H new ATOM 0 HB2 ALA A 46 49.020 20.365 18.598 1.00 3.36 H new ATOM 0 HB3 ALA A 46 47.891 19.575 17.472 1.00 3.36 H new ATOM 667 N GLU A 47 49.027 17.222 15.791 0.50 3.25 N ATOM 668 CA GLU A 47 48.555 15.974 15.203 0.50 4.03 C ATOM 669 C GLU A 47 49.729 15.050 14.894 0.50 2.00 C ATOM 670 O GLU A 47 49.793 13.925 15.390 0.50 2.21 O ATOM 671 CB GLU A 47 47.779 16.263 13.916 0.50 3.18 C ATOM 672 CG GLU A 47 47.089 14.984 13.437 0.50 2.62 C ATOM 673 CD GLU A 47 45.690 15.307 12.924 0.50 5.31 C ATOM 674 OE1 GLU A 47 44.991 16.049 13.595 0.50 6.18 O ATOM 675 OE2 GLU A 47 45.338 14.808 11.868 0.50 2.00 O ATOM 0 H GLU A 47 49.078 18.006 15.141 0.50 3.25 H new ATOM 0 HA GLU A 47 47.898 15.482 15.920 0.50 4.03 H new ATOM 0 HB2 GLU A 47 47.039 17.044 14.093 0.50 3.18 H new ATOM 0 HB3 GLU A 47 48.456 16.634 13.146 0.50 3.18 H new ATOM 0 HG2 GLU A 47 47.677 14.518 12.646 0.50 2.62 H new ATOM 0 HG3 GLU A 47 47.029 14.266 14.254 0.50 2.62 H new ATOM 682 N LEU A 48 50.656 15.533 14.072 1.00 2.12 N ATOM 683 CA LEU A 48 51.824 14.741 13.705 1.00 2.61 C ATOM 684 C LEU A 48 52.502 14.179 14.950 1.00 3.92 C ATOM 685 O LEU A 48 52.708 12.971 15.065 1.00 2.59 O ATOM 686 CB LEU A 48 52.817 15.606 12.926 1.00 5.42 C ATOM 687 CG LEU A 48 53.305 14.843 11.694 1.00 4.58 C ATOM 688 CD1 LEU A 48 53.961 13.532 12.133 1.00 6.65 C ATOM 689 CD2 LEU A 48 52.116 14.537 10.780 1.00 5.37 C ATOM 0 H LEU A 48 50.622 16.461 13.651 1.00 2.12 H new ATOM 0 HA LEU A 48 51.496 13.912 13.078 1.00 2.61 H new ATOM 0 HB2 LEU A 48 52.343 16.540 12.624 1.00 5.42 H new ATOM 0 HB3 LEU A 48 53.662 15.869 13.562 1.00 5.42 H new ATOM 0 HG LEU A 48 54.032 15.450 11.154 1.00 4.58 H new ATOM 0 HD11 LEU A 48 54.309 12.988 11.255 1.00 6.65 H new ATOM 0 HD12 LEU A 48 54.807 13.749 12.785 1.00 6.65 H new ATOM 0 HD13 LEU A 48 53.234 12.924 12.672 1.00 6.65 H new ATOM 0 HD21 LEU A 48 52.463 13.993 9.901 1.00 5.37 H new ATOM 0 HD22 LEU A 48 51.389 13.929 11.319 1.00 5.37 H new ATOM 0 HD23 LEU A 48 51.648 15.470 10.467 1.00 5.37 H new ATOM 701 N GLN A 49 52.847 15.063 15.880 1.00 4.04 N ATOM 702 CA GLN A 49 53.502 14.644 17.114 1.00 6.32 C ATOM 703 C GLN A 49 52.628 13.650 17.872 1.00 4.43 C ATOM 704 O GLN A 49 53.088 12.579 18.266 1.00 6.21 O ATOM 705 CB GLN A 49 53.778 15.861 17.998 1.00 5.48 C ATOM 706 CG GLN A 49 54.983 16.629 17.449 1.00 4.72 C ATOM 707 CD GLN A 49 56.277 15.987 17.938 1.00 3.92 C ATOM 708 OE1 GLN A 49 56.252 14.902 18.520 1.00 7.05 O ATOM 709 NE2 GLN A 49 57.413 16.595 17.734 1.00 2.12 N ATOM 0 H GLN A 49 52.686 16.067 15.804 1.00 4.04 H new ATOM 0 HA GLN A 49 54.445 14.161 16.858 1.00 6.32 H new ATOM 0 HB2 GLN A 49 52.902 16.509 18.026 1.00 5.48 H new ATOM 0 HB3 GLN A 49 53.972 15.543 19.022 1.00 5.48 H new ATOM 0 HG2 GLN A 49 54.958 16.631 16.359 1.00 4.72 H new ATOM 0 HG3 GLN A 49 54.939 17.669 17.771 1.00 4.72 H new ATOM 0 HE21 GLN A 49 57.431 17.494 17.252 1.00 2.12 H new ATOM 0 HE22 GLN A 49 58.283 16.172 18.057 1.00 2.12 H new ATOM 718 N ASP A 50 51.365 14.012 18.072 1.00 3.85 N ATOM 719 CA ASP A 50 50.435 13.142 18.784 1.00 5.51 C ATOM 720 C ASP A 50 50.153 11.882 17.972 1.00 4.73 C ATOM 721 O ASP A 50 49.795 10.843 18.526 1.00 3.05 O ATOM 722 CB ASP A 50 49.125 13.885 19.050 1.00 6.72 C ATOM 723 CG ASP A 50 48.241 13.063 19.983 1.00 3.36 C ATOM 724 OD1 ASP A 50 48.277 11.848 19.883 1.00 2.00 O ATOM 725 OD2 ASP A 50 47.540 13.662 20.783 1.00 3.77 O ATOM 0 H ASP A 50 50.964 14.894 17.754 1.00 3.85 H new ATOM 0 HA ASP A 50 50.888 12.855 19.733 1.00 5.51 H new ATOM 0 HB2 ASP A 50 49.333 14.858 19.495 1.00 6.72 H new ATOM 0 HB3 ASP A 50 48.604 14.069 18.110 1.00 6.72 H new ATOM 730 N MET A 51 50.315 11.983 16.657 1.00 4.95 N ATOM 731 CA MET A 51 50.075 10.844 15.779 1.00 5.39 C ATOM 732 C MET A 51 51.059 9.719 16.080 1.00 5.93 C ATOM 733 O MET A 51 50.663 8.568 16.265 1.00 8.69 O ATOM 734 CB MET A 51 50.217 11.272 14.317 1.00 6.81 C ATOM 735 CG MET A 51 49.811 10.114 13.404 1.00 6.35 C ATOM 736 SD MET A 51 48.033 9.813 13.564 1.00 10.13 S ATOM 737 CE MET A 51 47.800 8.978 11.975 1.00 13.60 C ATOM 0 H MET A 51 50.609 12.835 16.179 1.00 4.95 H new ATOM 0 HA MET A 51 49.062 10.482 15.954 1.00 5.39 H new ATOM 0 HB2 MET A 51 49.590 12.142 14.119 1.00 6.81 H new ATOM 0 HB3 MET A 51 51.246 11.567 14.112 1.00 6.81 H new ATOM 0 HG2 MET A 51 50.059 10.349 12.369 1.00 6.35 H new ATOM 0 HG3 MET A 51 50.368 9.215 13.669 1.00 6.35 H new ATOM 0 HE1 MET A 51 46.753 8.698 11.861 1.00 13.60 H new ATOM 0 HE2 MET A 51 48.086 9.650 11.166 1.00 13.60 H new ATOM 0 HE3 MET A 51 48.421 8.083 11.940 1.00 13.60 H new ATOM 747 N ILE A 52 52.343 10.059 16.129 1.00 7.65 N ATOM 748 CA ILE A 52 53.374 9.067 16.410 1.00 4.46 C ATOM 749 C ILE A 52 53.043 8.300 17.686 1.00 4.03 C ATOM 750 O ILE A 52 53.291 7.098 17.782 1.00 3.57 O ATOM 751 CB ILE A 52 54.734 9.754 16.555 1.00 6.21 C ATOM 752 CG1 ILE A 52 55.838 8.792 16.112 1.00 8.71 C ATOM 753 CG2 ILE A 52 54.961 10.150 18.016 1.00 7.56 C ATOM 754 CD1 ILE A 52 57.180 9.527 16.093 1.00 8.27 C ATOM 0 H ILE A 52 52.692 11.006 15.979 1.00 7.65 H new ATOM 0 HA ILE A 52 53.414 8.363 15.579 1.00 4.46 H new ATOM 0 HB ILE A 52 54.754 10.648 15.932 1.00 6.21 H new ATOM 0 HG12 ILE A 52 55.887 7.941 16.791 1.00 8.71 H new ATOM 0 HG13 ILE A 52 55.614 8.397 15.121 1.00 8.71 H new ATOM 0 HG21 ILE A 52 55.930 10.639 18.114 1.00 7.56 H new ATOM 0 HG22 ILE A 52 54.175 10.836 18.333 1.00 7.56 H new ATOM 0 HG23 ILE A 52 54.939 9.258 18.642 1.00 7.56 H new ATOM 0 HD11 ILE A 52 57.966 8.841 15.777 1.00 8.27 H new ATOM 0 HD12 ILE A 52 57.127 10.363 15.396 1.00 8.27 H new ATOM 0 HD13 ILE A 52 57.404 9.901 17.092 1.00 8.27 H new ATOM 766 N ASN A 53 52.480 9.003 18.664 1.00 2.63 N ATOM 767 CA ASN A 53 52.117 8.377 19.930 1.00 2.00 C ATOM 768 C ASN A 53 51.273 7.131 19.686 1.00 6.04 C ATOM 769 O ASN A 53 51.502 6.085 20.295 1.00 3.59 O ATOM 770 CB ASN A 53 51.334 9.365 20.796 1.00 9.04 C ATOM 771 CG ASN A 53 51.185 8.815 22.211 1.00 3.69 C ATOM 772 OD1 ASN A 53 52.179 8.476 22.853 1.00 2.06 O ATOM 773 ND2 ASN A 53 49.996 8.706 22.737 1.00 3.59 N ATOM 0 H ASN A 53 52.267 9.999 18.605 1.00 2.63 H new ATOM 0 HA ASN A 53 53.032 8.088 20.448 1.00 2.00 H new ATOM 0 HB2 ASN A 53 51.849 10.325 20.823 1.00 9.04 H new ATOM 0 HB3 ASN A 53 50.351 9.543 20.361 1.00 9.04 H new ATOM 0 HD21 ASN A 53 49.888 8.339 23.683 1.00 3.59 H new ATOM 0 HD22 ASN A 53 49.174 8.988 22.203 1.00 3.59 H new ATOM 780 N GLU A 54 50.296 7.249 18.793 1.00 5.74 N ATOM 781 CA GLU A 54 49.423 6.125 18.477 1.00 2.00 C ATOM 782 C GLU A 54 50.247 4.886 18.142 1.00 2.75 C ATOM 783 O GLU A 54 49.960 3.789 18.622 1.00 4.80 O ATOM 784 CB GLU A 54 48.523 6.478 17.292 1.00 2.00 C ATOM 785 CG GLU A 54 47.444 7.463 17.746 1.00 5.28 C ATOM 786 CD GLU A 54 46.637 7.942 16.544 1.00 15.98 C ATOM 787 OE1 GLU A 54 46.751 9.108 16.205 1.00 23.58 O ATOM 788 OE2 GLU A 54 45.916 7.135 15.980 1.00 23.43 O ATOM 0 H GLU A 54 50.090 8.105 18.279 1.00 5.74 H new ATOM 0 HA GLU A 54 48.805 5.912 19.350 1.00 2.00 H new ATOM 0 HB2 GLU A 54 49.116 6.916 16.489 1.00 2.00 H new ATOM 0 HB3 GLU A 54 48.061 5.576 16.891 1.00 2.00 H new ATOM 0 HG2 GLU A 54 46.784 6.985 18.470 1.00 5.28 H new ATOM 0 HG3 GLU A 54 47.905 8.314 18.248 1.00 5.28 H new ATOM 795 N VAL A 55 51.272 5.068 17.316 1.00 2.00 N ATOM 796 CA VAL A 55 52.131 3.957 16.925 1.00 3.29 C ATOM 797 C VAL A 55 53.263 3.777 17.930 1.00 5.38 C ATOM 798 O VAL A 55 53.980 2.776 17.899 1.00 3.32 O ATOM 799 CB VAL A 55 52.716 4.212 15.534 1.00 4.63 C ATOM 800 CG1 VAL A 55 53.527 2.993 15.090 1.00 7.60 C ATOM 801 CG2 VAL A 55 51.578 4.458 14.539 1.00 6.66 C ATOM 0 H VAL A 55 51.527 5.967 16.907 1.00 2.00 H new ATOM 0 HA VAL A 55 51.530 3.048 16.904 1.00 3.29 H new ATOM 0 HB VAL A 55 53.365 5.087 15.568 1.00 4.63 H new ATOM 0 HG11 VAL A 55 53.944 3.174 14.099 1.00 7.60 H new ATOM 0 HG12 VAL A 55 54.337 2.817 15.798 1.00 7.60 H new ATOM 0 HG13 VAL A 55 52.879 2.117 15.056 1.00 7.60 H new ATOM 0 HG21 VAL A 55 51.994 4.640 13.548 1.00 6.66 H new ATOM 0 HG22 VAL A 55 50.929 3.583 14.505 1.00 6.66 H new ATOM 0 HG23 VAL A 55 51.000 5.327 14.855 1.00 6.66 H new ATOM 811 N ASP A 56 53.419 4.751 18.820 1.00 4.38 N ATOM 812 CA ASP A 56 54.468 4.690 19.831 1.00 5.59 C ATOM 813 C ASP A 56 53.871 4.411 21.207 1.00 9.10 C ATOM 814 O ASP A 56 53.508 5.334 21.935 1.00 10.26 O ATOM 815 CB ASP A 56 55.238 6.011 19.865 1.00 5.02 C ATOM 816 CG ASP A 56 56.667 5.770 20.341 1.00 8.99 C ATOM 817 OD1 ASP A 56 56.905 4.731 20.935 1.00 10.72 O ATOM 818 OD2 ASP A 56 57.502 6.628 20.105 1.00 12.55 O ATOM 0 H ASP A 56 52.836 5.587 18.862 1.00 4.38 H new ATOM 0 HA ASP A 56 55.149 3.879 19.572 1.00 5.59 H new ATOM 0 HB2 ASP A 56 55.248 6.461 18.872 1.00 5.02 H new ATOM 0 HB3 ASP A 56 54.738 6.716 20.530 1.00 5.02 H new ATOM 823 N ALA A 57 53.773 3.132 21.555 1.00 9.17 N ATOM 824 CA ALA A 57 53.218 2.743 22.847 1.00 12.52 C ATOM 825 C ALA A 57 54.268 2.882 23.945 1.00 14.37 C ATOM 826 O ALA A 57 53.943 3.188 25.092 1.00 15.13 O ATOM 827 CB ALA A 57 52.726 1.296 22.788 1.00 12.36 C ATOM 0 H ALA A 57 54.068 2.353 20.966 1.00 9.17 H new ATOM 0 HA ALA A 57 52.381 3.402 23.076 1.00 12.52 H new ATOM 0 HB1 ALA A 57 52.313 1.012 23.756 1.00 12.36 H new ATOM 0 HB2 ALA A 57 51.954 1.205 22.023 1.00 12.36 H new ATOM 0 HB3 ALA A 57 53.560 0.638 22.542 1.00 12.36 H new ATOM 833 N ASP A 58 55.527 2.654 23.586 1.00 14.32 N ATOM 834 CA ASP A 58 56.616 2.757 24.550 1.00 13.48 C ATOM 835 C ASP A 58 57.020 4.214 24.748 1.00 13.08 C ATOM 836 O ASP A 58 57.804 4.536 25.642 1.00 14.09 O ATOM 837 CB ASP A 58 57.823 1.952 24.063 1.00 11.69 C ATOM 838 CG ASP A 58 57.354 0.668 23.388 1.00 12.70 C ATOM 839 OD1 ASP A 58 56.913 -0.223 24.095 1.00 6.62 O ATOM 840 OD2 ASP A 58 57.442 0.594 22.173 1.00 9.36 O ATOM 0 H ASP A 58 55.817 2.399 22.642 1.00 14.32 H new ATOM 0 HA ASP A 58 56.272 2.355 25.503 1.00 13.48 H new ATOM 0 HB2 ASP A 58 58.409 2.547 23.363 1.00 11.69 H new ATOM 0 HB3 ASP A 58 58.475 1.714 24.903 1.00 11.69 H new ATOM 845 N GLY A 59 56.480 5.092 23.909 1.00 13.64 N ATOM 846 CA GLY A 59 56.792 6.514 24.001 1.00 12.80 C ATOM 847 C GLY A 59 58.296 6.748 23.925 1.00 12.45 C ATOM 848 O GLY A 59 58.836 7.610 24.620 1.00 11.32 O ATOM 0 H GLY A 59 55.829 4.847 23.163 1.00 13.64 H new ATOM 0 HA2 GLY A 59 56.295 7.052 23.194 1.00 12.80 H new ATOM 0 HA3 GLY A 59 56.405 6.915 24.937 1.00 12.80 H new ATOM 852 N ASP A 60 58.968 5.977 23.077 1.00 10.86 N ATOM 853 CA ASP A 60 60.412 6.110 22.919 1.00 11.08 C ATOM 854 C ASP A 60 60.744 7.292 22.014 1.00 11.89 C ATOM 855 O ASP A 60 61.843 7.843 22.075 1.00 13.26 O ATOM 856 CB ASP A 60 60.993 4.828 22.320 1.00 13.03 C ATOM 857 CG ASP A 60 59.911 4.073 21.555 1.00 13.27 C ATOM 858 OD1 ASP A 60 59.150 4.717 20.853 1.00 9.09 O ATOM 859 OD2 ASP A 60 59.860 2.860 21.683 1.00 7.54 O ATOM 0 H ASP A 60 58.540 5.259 22.493 1.00 10.86 H new ATOM 0 HA ASP A 60 60.852 6.283 23.901 1.00 11.08 H new ATOM 0 HB2 ASP A 60 61.820 5.071 21.652 1.00 13.03 H new ATOM 0 HB3 ASP A 60 61.397 4.197 23.112 1.00 13.03 H new ATOM 864 N GLY A 61 59.787 7.675 21.175 1.00 11.65 N ATOM 865 CA GLY A 61 59.989 8.793 20.261 1.00 9.60 C ATOM 866 C GLY A 61 60.194 8.299 18.833 1.00 9.33 C ATOM 867 O GLY A 61 60.333 9.095 17.904 1.00 7.68 O ATOM 0 H GLY A 61 58.871 7.232 21.109 1.00 11.65 H new ATOM 0 HA2 GLY A 61 59.127 9.459 20.299 1.00 9.60 H new ATOM 0 HA3 GLY A 61 60.855 9.374 20.577 1.00 9.60 H new ATOM 871 N THR A 62 60.211 6.981 18.665 1.00 6.58 N ATOM 872 CA THR A 62 60.399 6.392 17.344 1.00 6.33 C ATOM 873 C THR A 62 59.560 5.126 17.196 1.00 7.13 C ATOM 874 O THR A 62 58.920 4.680 18.148 1.00 6.30 O ATOM 875 CB THR A 62 61.877 6.055 17.128 1.00 7.99 C ATOM 876 OG1 THR A 62 62.553 6.078 18.378 1.00 9.62 O ATOM 877 CG2 THR A 62 62.505 7.084 16.187 1.00 11.55 C ATOM 0 H THR A 62 60.098 6.305 19.420 1.00 6.58 H new ATOM 0 HA THR A 62 60.078 7.116 16.595 1.00 6.33 H new ATOM 0 HB THR A 62 61.963 5.063 16.686 1.00 7.99 H new ATOM 0 HG1 THR A 62 63.499 5.861 18.242 1.00 9.62 H new ATOM 0 HG21 THR A 62 63.557 6.843 16.034 1.00 11.55 H new ATOM 0 HG22 THR A 62 61.986 7.066 15.229 1.00 11.55 H new ATOM 0 HG23 THR A 62 62.421 8.078 16.626 1.00 11.55 H new ATOM 885 N ILE A 63 59.569 4.553 15.997 1.00 7.32 N ATOM 886 CA ILE A 63 58.804 3.340 15.735 1.00 8.34 C ATOM 887 C ILE A 63 59.712 2.237 15.200 1.00 8.66 C ATOM 888 O ILE A 63 60.616 2.495 14.407 1.00 7.62 O ATOM 889 CB ILE A 63 57.698 3.630 14.719 1.00 8.46 C ATOM 890 CG1 ILE A 63 56.773 4.718 15.270 1.00 10.06 C ATOM 891 CG2 ILE A 63 56.890 2.356 14.465 1.00 7.97 C ATOM 892 CD1 ILE A 63 56.200 4.270 16.616 1.00 9.28 C ATOM 0 H ILE A 63 60.094 4.906 15.197 1.00 7.32 H new ATOM 0 HA ILE A 63 58.359 3.005 16.672 1.00 8.34 H new ATOM 0 HB ILE A 63 58.144 3.969 13.784 1.00 8.46 H new ATOM 0 HG12 ILE A 63 57.323 5.651 15.390 1.00 10.06 H new ATOM 0 HG13 ILE A 63 55.964 4.913 14.566 1.00 10.06 H new ATOM 0 HG21 ILE A 63 56.102 2.563 13.741 1.00 7.97 H new ATOM 0 HG22 ILE A 63 57.548 1.580 14.073 1.00 7.97 H new ATOM 0 HG23 ILE A 63 56.444 2.016 15.399 1.00 7.97 H new ATOM 0 HD11 ILE A 63 55.542 5.045 17.007 1.00 9.28 H new ATOM 0 HD12 ILE A 63 55.635 3.348 16.482 1.00 9.28 H new ATOM 0 HD13 ILE A 63 57.015 4.097 17.319 1.00 9.28 H new ATOM 904 N ASP A 64 59.463 1.007 15.640 1.00 8.67 N ATOM 905 CA ASP A 64 60.263 -0.129 15.197 1.00 8.18 C ATOM 906 C ASP A 64 59.392 -1.135 14.449 1.00 5.74 C ATOM 907 O ASP A 64 58.224 -0.868 14.169 1.00 3.75 O ATOM 908 CB ASP A 64 60.919 -0.805 16.403 1.00 8.75 C ATOM 909 CG ASP A 64 59.851 -1.245 17.399 1.00 7.61 C ATOM 910 OD1 ASP A 64 58.808 -0.615 17.435 1.00 11.33 O ATOM 911 OD2 ASP A 64 60.093 -2.206 18.111 1.00 9.97 O ATOM 0 H ASP A 64 58.719 0.773 16.298 1.00 8.67 H new ATOM 0 HA ASP A 64 61.038 0.232 14.521 1.00 8.18 H new ATOM 0 HB2 ASP A 64 61.500 -1.667 16.076 1.00 8.75 H new ATOM 0 HB3 ASP A 64 61.614 -0.116 16.883 1.00 8.75 H new ATOM 916 N PHE A 65 59.966 -2.290 14.121 1.00 6.48 N ATOM 917 CA PHE A 65 59.225 -3.318 13.397 1.00 6.44 C ATOM 918 C PHE A 65 58.112 -3.900 14.267 1.00 6.12 C ATOM 919 O PHE A 65 56.949 -3.923 13.864 1.00 4.44 O ATOM 920 CB PHE A 65 60.172 -4.437 12.948 1.00 5.02 C ATOM 921 CG PHE A 65 60.229 -4.483 11.439 1.00 5.00 C ATOM 922 CD1 PHE A 65 59.621 -5.538 10.748 1.00 7.40 C ATOM 923 CD2 PHE A 65 60.890 -3.471 10.732 1.00 5.31 C ATOM 924 CE1 PHE A 65 59.674 -5.581 9.350 1.00 6.56 C ATOM 925 CE2 PHE A 65 60.942 -3.514 9.334 1.00 7.32 C ATOM 926 CZ PHE A 65 60.334 -4.569 8.643 1.00 5.90 C ATOM 0 H PHE A 65 60.931 -2.536 14.342 1.00 6.48 H new ATOM 0 HA PHE A 65 58.774 -2.856 12.519 1.00 6.44 H new ATOM 0 HB2 PHE A 65 61.169 -4.267 13.354 1.00 5.02 H new ATOM 0 HB3 PHE A 65 59.828 -5.395 13.338 1.00 5.02 H new ATOM 0 HD1 PHE A 65 59.111 -6.318 11.294 1.00 7.40 H new ATOM 0 HD2 PHE A 65 61.359 -2.658 11.265 1.00 5.31 H new ATOM 0 HE1 PHE A 65 59.206 -6.395 8.817 1.00 6.56 H new ATOM 0 HE2 PHE A 65 61.451 -2.733 8.788 1.00 7.32 H new ATOM 0 HZ PHE A 65 60.374 -4.602 7.564 1.00 5.90 H new ATOM 936 N PRO A 66 58.442 -4.367 15.444 1.00 5.59 N ATOM 937 CA PRO A 66 57.443 -4.957 16.381 1.00 3.90 C ATOM 938 C PRO A 66 56.245 -4.036 16.596 1.00 4.48 C ATOM 939 O PRO A 66 55.102 -4.488 16.649 1.00 6.66 O ATOM 940 CB PRO A 66 58.222 -5.146 17.685 1.00 6.57 C ATOM 941 CG PRO A 66 59.661 -5.201 17.291 1.00 2.24 C ATOM 942 CD PRO A 66 59.801 -4.381 16.009 1.00 3.70 C ATOM 0 HA PRO A 66 57.025 -5.886 15.994 1.00 3.90 H new ATOM 0 HB2 PRO A 66 58.036 -4.323 18.375 1.00 6.57 H new ATOM 0 HB3 PRO A 66 57.920 -6.062 18.193 1.00 6.57 H new ATOM 0 HG2 PRO A 66 60.293 -4.795 18.080 1.00 2.24 H new ATOM 0 HG3 PRO A 66 59.978 -6.231 17.127 1.00 2.24 H new ATOM 0 HD2 PRO A 66 60.157 -3.372 16.218 1.00 3.70 H new ATOM 0 HD3 PRO A 66 60.514 -4.835 15.321 1.00 3.70 H new ATOM 950 N GLU A 67 56.519 -2.741 16.721 1.00 3.17 N ATOM 951 CA GLU A 67 55.460 -1.762 16.934 1.00 5.95 C ATOM 952 C GLU A 67 54.830 -1.350 15.607 1.00 6.62 C ATOM 953 O GLU A 67 53.649 -1.007 15.549 1.00 3.48 O ATOM 954 CB GLU A 67 56.029 -0.527 17.636 1.00 5.69 C ATOM 955 CG GLU A 67 54.913 0.191 18.397 1.00 5.12 C ATOM 956 CD GLU A 67 55.495 1.345 19.206 1.00 3.86 C ATOM 957 OE1 GLU A 67 55.268 1.377 20.405 1.00 7.44 O ATOM 958 OE2 GLU A 67 56.161 2.179 18.616 1.00 5.11 O ATOM 0 H GLU A 67 57.459 -2.348 16.679 1.00 3.17 H new ATOM 0 HA GLU A 67 54.691 -2.217 17.559 1.00 5.95 H new ATOM 0 HB2 GLU A 67 56.822 -0.820 18.324 1.00 5.69 H new ATOM 0 HB3 GLU A 67 56.475 0.146 16.904 1.00 5.69 H new ATOM 0 HG2 GLU A 67 54.167 0.566 17.697 1.00 5.12 H new ATOM 0 HG3 GLU A 67 54.404 -0.509 19.060 1.00 5.12 H new ATOM 965 N PHE A 68 55.625 -1.386 14.542 1.00 6.05 N ATOM 966 CA PHE A 68 55.132 -1.012 13.221 1.00 4.52 C ATOM 967 C PHE A 68 54.058 -1.987 12.752 1.00 3.96 C ATOM 968 O PHE A 68 53.088 -1.592 12.105 1.00 5.29 O ATOM 969 CB PHE A 68 56.285 -0.999 12.216 1.00 4.53 C ATOM 970 CG PHE A 68 55.740 -0.765 10.827 1.00 2.68 C ATOM 971 CD1 PHE A 68 54.960 0.366 10.563 1.00 8.58 C ATOM 972 CD2 PHE A 68 56.016 -1.680 9.804 1.00 2.58 C ATOM 973 CE1 PHE A 68 54.455 0.583 9.275 1.00 5.36 C ATOM 974 CE2 PHE A 68 55.511 -1.464 8.517 1.00 7.42 C ATOM 975 CZ PHE A 68 54.730 -0.332 8.252 1.00 2.84 C ATOM 0 H PHE A 68 56.605 -1.668 14.567 1.00 6.05 H new ATOM 0 HA PHE A 68 54.697 -0.015 13.287 1.00 4.52 H new ATOM 0 HB2 PHE A 68 56.998 -0.216 12.475 1.00 4.53 H new ATOM 0 HB3 PHE A 68 56.824 -1.946 12.252 1.00 4.53 H new ATOM 0 HD1 PHE A 68 54.747 1.072 11.352 1.00 8.58 H new ATOM 0 HD2 PHE A 68 56.619 -2.553 10.008 1.00 2.58 H new ATOM 0 HE1 PHE A 68 53.853 1.456 9.071 1.00 5.36 H new ATOM 0 HE2 PHE A 68 55.723 -2.170 7.728 1.00 7.42 H new ATOM 0 HZ PHE A 68 54.340 -0.165 7.259 1.00 2.84 H new ATOM 985 N LEU A 69 54.230 -3.262 13.089 1.00 3.21 N ATOM 986 CA LEU A 69 53.264 -4.281 12.703 1.00 2.17 C ATOM 987 C LEU A 69 52.106 -4.316 13.695 1.00 2.00 C ATOM 988 O LEU A 69 50.941 -4.389 13.303 1.00 4.25 O ATOM 989 CB LEU A 69 53.941 -5.652 12.657 1.00 4.14 C ATOM 990 CG LEU A 69 54.382 -5.957 11.224 1.00 4.19 C ATOM 991 CD1 LEU A 69 55.554 -5.051 10.846 1.00 3.81 C ATOM 992 CD2 LEU A 69 54.818 -7.421 11.127 1.00 9.43 C ATOM 0 H LEU A 69 55.025 -3.611 13.625 1.00 3.21 H new ATOM 0 HA LEU A 69 52.877 -4.036 11.714 1.00 2.17 H new ATOM 0 HB2 LEU A 69 54.803 -5.666 13.325 1.00 4.14 H new ATOM 0 HB3 LEU A 69 53.253 -6.421 13.008 1.00 4.14 H new ATOM 0 HG LEU A 69 53.551 -5.778 10.542 1.00 4.19 H new ATOM 0 HD11 LEU A 69 55.868 -5.269 9.825 1.00 3.81 H new ATOM 0 HD12 LEU A 69 55.245 -4.008 10.916 1.00 3.81 H new ATOM 0 HD13 LEU A 69 56.386 -5.229 11.527 1.00 3.81 H new ATOM 0 HD21 LEU A 69 55.133 -7.640 10.107 1.00 9.43 H new ATOM 0 HD22 LEU A 69 55.649 -7.599 11.809 1.00 9.43 H new ATOM 0 HD23 LEU A 69 53.983 -8.068 11.396 1.00 9.43 H new ATOM 1004 N THR A 70 52.436 -4.263 14.982 1.00 3.70 N ATOM 1005 CA THR A 70 51.417 -4.289 16.024 1.00 5.12 C ATOM 1006 C THR A 70 50.356 -3.228 15.759 1.00 5.47 C ATOM 1007 O THR A 70 49.158 -3.497 15.850 1.00 6.71 O ATOM 1008 CB THR A 70 52.060 -4.041 17.391 1.00 6.65 C ATOM 1009 OG1 THR A 70 53.121 -4.965 17.587 1.00 7.41 O ATOM 1010 CG2 THR A 70 51.012 -4.222 18.490 1.00 7.53 C ATOM 0 H THR A 70 53.394 -4.202 15.326 1.00 3.70 H new ATOM 0 HA THR A 70 50.943 -5.271 16.019 1.00 5.12 H new ATOM 0 HB THR A 70 52.451 -3.024 17.431 1.00 6.65 H new ATOM 0 HG1 THR A 70 53.941 -4.612 17.183 1.00 7.41 H new ATOM 0 HG21 THR A 70 51.471 -4.045 19.463 1.00 7.53 H new ATOM 0 HG22 THR A 70 50.199 -3.512 18.338 1.00 7.53 H new ATOM 0 HG23 THR A 70 50.618 -5.238 18.454 1.00 7.53 H new ATOM 1018 N MET A 71 50.804 -2.021 15.429 1.00 4.38 N ATOM 1019 CA MET A 71 49.883 -0.926 15.150 1.00 6.23 C ATOM 1020 C MET A 71 48.868 -1.336 14.088 1.00 7.97 C ATOM 1021 O MET A 71 47.668 -1.110 14.242 1.00 7.91 O ATOM 1022 CB MET A 71 50.660 0.301 14.669 1.00 7.76 C ATOM 1023 CG MET A 71 49.685 1.333 14.099 1.00 9.30 C ATOM 1024 SD MET A 71 49.214 0.854 12.419 1.00 11.86 S ATOM 1025 CE MET A 71 49.509 2.458 11.634 1.00 11.60 C ATOM 0 H MET A 71 51.791 -1.778 15.349 1.00 4.38 H new ATOM 0 HA MET A 71 49.351 -0.681 16.069 1.00 6.23 H new ATOM 0 HB2 MET A 71 51.223 0.735 15.495 1.00 7.76 H new ATOM 0 HB3 MET A 71 51.384 0.010 13.908 1.00 7.76 H new ATOM 0 HG2 MET A 71 48.800 1.401 14.731 1.00 9.30 H new ATOM 0 HG3 MET A 71 50.147 2.320 14.091 1.00 9.30 H new ATOM 0 HE1 MET A 71 49.277 2.391 10.571 1.00 11.60 H new ATOM 0 HE2 MET A 71 48.873 3.212 12.097 1.00 11.60 H new ATOM 0 HE3 MET A 71 50.555 2.738 11.761 1.00 11.60 H new ATOM 1035 N MET A 72 49.359 -1.941 13.011 1.00 9.49 N ATOM 1036 CA MET A 72 48.484 -2.379 11.928 1.00 9.20 C ATOM 1037 C MET A 72 47.716 -3.634 12.333 1.00 8.73 C ATOM 1038 O MET A 72 46.496 -3.702 12.183 1.00 8.56 O ATOM 1039 CB MET A 72 49.311 -2.667 10.674 1.00 11.85 C ATOM 1040 CG MET A 72 49.668 -1.350 9.983 1.00 12.33 C ATOM 1041 SD MET A 72 48.154 -0.538 9.414 1.00 22.32 S ATOM 1042 CE MET A 72 47.882 -1.565 7.949 1.00 15.46 C ATOM 0 H MET A 72 50.349 -2.138 12.865 1.00 9.49 H new ATOM 0 HA MET A 72 47.770 -1.583 11.718 1.00 9.20 H new ATOM 0 HB2 MET A 72 50.219 -3.207 10.941 1.00 11.85 H new ATOM 0 HB3 MET A 72 48.748 -3.306 9.993 1.00 11.85 H new ATOM 0 HG2 MET A 72 50.205 -0.699 10.673 1.00 12.33 H new ATOM 0 HG3 MET A 72 50.332 -1.538 9.139 1.00 12.33 H new ATOM 0 HE1 MET A 72 47.890 -0.937 7.058 1.00 15.46 H new ATOM 0 HE2 MET A 72 48.674 -2.310 7.875 1.00 15.46 H new ATOM 0 HE3 MET A 72 46.918 -2.067 8.031 1.00 15.46 H new ATOM 1052 N ALA A 73 48.439 -4.625 12.845 1.00 8.08 N ATOM 1053 CA ALA A 73 47.815 -5.874 13.266 1.00 7.41 C ATOM 1054 C ALA A 73 46.740 -5.610 14.315 1.00 8.06 C ATOM 1055 O ALA A 73 45.634 -6.146 14.233 1.00 5.90 O ATOM 1056 CB ALA A 73 48.873 -6.817 13.842 1.00 9.15 C ATOM 0 H ALA A 73 49.450 -4.588 12.978 1.00 8.08 H new ATOM 0 HA ALA A 73 47.350 -6.337 12.396 1.00 7.41 H new ATOM 0 HB1 ALA A 73 48.399 -7.748 14.154 1.00 9.15 H new ATOM 0 HB2 ALA A 73 49.624 -7.029 13.081 1.00 9.15 H new ATOM 0 HB3 ALA A 73 49.350 -6.347 14.702 1.00 9.15 H new ATOM 1062 N ARG A 74 47.071 -4.782 15.301 1.00 7.07 N ATOM 1063 CA ARG A 74 46.124 -4.456 16.361 1.00 10.51 C ATOM 1064 C ARG A 74 44.750 -4.145 15.776 1.00 13.70 C ATOM 1065 O ARG A 74 43.744 -4.724 16.188 1.00 13.80 O ATOM 1066 CB ARG A 74 46.626 -3.250 17.158 1.00 9.06 C ATOM 1067 CG ARG A 74 47.453 -3.734 18.350 1.00 8.61 C ATOM 1068 CD ARG A 74 47.747 -2.556 19.281 1.00 8.72 C ATOM 1069 NE ARG A 74 48.684 -1.635 18.649 1.00 7.70 N ATOM 1070 CZ ARG A 74 49.341 -0.726 19.361 1.00 10.03 C ATOM 1071 NH1 ARG A 74 50.174 0.088 18.773 1.00 9.17 N ATOM 1072 NH2 ARG A 74 49.152 -0.646 20.650 1.00 12.90 N ATOM 0 H ARG A 74 47.980 -4.328 15.388 1.00 7.07 H new ATOM 0 HA ARG A 74 46.038 -5.318 17.022 1.00 10.51 H new ATOM 0 HB2 ARG A 74 47.231 -2.605 16.520 1.00 9.06 H new ATOM 0 HB3 ARG A 74 45.782 -2.654 17.505 1.00 9.06 H new ATOM 0 HG2 ARG A 74 46.912 -4.511 18.890 1.00 8.61 H new ATOM 0 HG3 ARG A 74 48.386 -4.178 18.002 1.00 8.61 H new ATOM 0 HD2 ARG A 74 46.821 -2.035 19.523 1.00 8.72 H new ATOM 0 HD3 ARG A 74 48.162 -2.921 20.221 1.00 8.72 H new ATOM 0 HE ARG A 74 48.838 -1.690 17.642 1.00 7.70 H new ATOM 0 HH11 ARG A 74 50.321 0.027 17.766 1.00 9.17 H new ATOM 0 HH12 ARG A 74 50.678 0.786 19.321 1.00 9.17 H new ATOM 0 HH21 ARG A 74 48.500 -1.281 21.110 1.00 12.90 H new ATOM 0 HH22 ARG A 74 49.656 0.052 21.197 1.00 12.90 H new ATOM 1086 N LYS A 75 44.715 -3.229 14.814 1.00 16.35 N ATOM 1087 CA LYS A 75 43.458 -2.850 14.179 1.00 20.00 C ATOM 1088 C LYS A 75 42.638 -4.088 13.832 1.00 24.09 C ATOM 1089 O LYS A 75 41.418 -4.102 13.994 1.00 25.18 O ATOM 1090 CB LYS A 75 43.736 -2.046 12.908 1.00 19.04 C ATOM 1091 CG LYS A 75 44.531 -0.787 13.262 1.00 19.89 C ATOM 1092 CD LYS A 75 44.963 -0.077 11.977 1.00 18.07 C ATOM 1093 CE LYS A 75 45.288 1.385 12.286 1.00 18.98 C ATOM 1094 NZ LYS A 75 44.031 2.116 12.612 1.00 19.67 N ATOM 0 H LYS A 75 45.536 -2.739 14.459 1.00 16.35 H new ATOM 0 HA LYS A 75 42.890 -2.237 14.879 1.00 20.00 H new ATOM 0 HB2 LYS A 75 44.295 -2.653 12.196 1.00 19.04 H new ATOM 0 HB3 LYS A 75 42.798 -1.772 12.426 1.00 19.04 H new ATOM 0 HG2 LYS A 75 43.922 -0.119 13.872 1.00 19.89 H new ATOM 0 HG3 LYS A 75 45.406 -1.052 13.856 1.00 19.89 H new ATOM 0 HD2 LYS A 75 45.836 -0.572 11.551 1.00 18.07 H new ATOM 0 HD3 LYS A 75 44.169 -0.135 11.233 1.00 18.07 H new ATOM 0 HE2 LYS A 75 45.983 1.445 13.123 1.00 18.98 H new ATOM 0 HE3 LYS A 75 45.779 1.848 11.430 1.00 18.98 H new ATOM 0 HZ1 LYS A 75 44.138 3.120 12.362 1.00 19.67 H new ATOM 0 HZ2 LYS A 75 43.242 1.707 12.072 1.00 19.67 H new ATOM 0 HZ3 LYS A 75 43.835 2.032 13.630 1.00 19.67 H new ATOM 1108 N MET A 76 43.317 -5.126 13.352 1.00 27.98 N ATOM 1109 CA MET A 76 42.640 -6.364 12.985 1.00 31.28 C ATOM 1110 C MET A 76 42.182 -7.116 14.231 1.00 33.28 C ATOM 1111 O MET A 76 41.313 -7.985 14.159 1.00 34.71 O ATOM 1112 CB MET A 76 43.582 -7.252 12.169 1.00 31.71 C ATOM 1113 CG MET A 76 43.676 -6.719 10.738 1.00 33.18 C ATOM 1114 SD MET A 76 42.170 -7.152 9.833 1.00 34.79 S ATOM 1115 CE MET A 76 42.879 -8.485 8.836 1.00 33.37 C ATOM 0 H MET A 76 44.327 -5.135 13.209 1.00 27.98 H new ATOM 0 HA MET A 76 41.766 -6.113 12.385 1.00 31.28 H new ATOM 0 HB2 MET A 76 44.571 -7.269 12.627 1.00 31.71 H new ATOM 0 HB3 MET A 76 43.216 -8.279 12.162 1.00 31.71 H new ATOM 0 HG2 MET A 76 43.808 -5.637 10.749 1.00 33.18 H new ATOM 0 HG3 MET A 76 44.548 -7.141 10.238 1.00 33.18 H new ATOM 0 HE1 MET A 76 42.109 -8.905 8.189 1.00 33.37 H new ATOM 0 HE2 MET A 76 43.690 -8.090 8.225 1.00 33.37 H new ATOM 0 HE3 MET A 76 43.266 -9.264 9.493 1.00 33.37 H new ATOM 1125 N LYS A 77 42.773 -6.776 15.372 1.00 35.40 N ATOM 1126 CA LYS A 77 42.417 -7.426 16.628 1.00 36.50 C ATOM 1127 C LYS A 77 41.734 -6.439 17.569 1.00 37.55 C ATOM 1128 O LYS A 77 41.982 -6.443 18.774 1.00 37.57 O ATOM 1129 CB LYS A 77 43.671 -7.989 17.298 1.00 36.85 C ATOM 1130 CG LYS A 77 44.278 -9.080 16.413 1.00 37.43 C ATOM 1131 CD LYS A 77 43.616 -10.422 16.730 1.00 37.60 C ATOM 1132 CE LYS A 77 44.480 -11.195 17.728 1.00 37.65 C ATOM 1133 NZ LYS A 77 43.931 -12.569 17.901 1.00 35.44 N ATOM 0 H LYS A 77 43.495 -6.060 15.453 1.00 35.40 H new ATOM 0 HA LYS A 77 41.725 -8.240 16.410 1.00 36.50 H new ATOM 0 HB2 LYS A 77 44.397 -7.193 17.461 1.00 36.85 H new ATOM 0 HB3 LYS A 77 43.421 -8.398 18.277 1.00 36.85 H new ATOM 0 HG2 LYS A 77 44.135 -8.831 15.361 1.00 37.43 H new ATOM 0 HG3 LYS A 77 45.353 -9.144 16.582 1.00 37.43 H new ATOM 0 HD2 LYS A 77 42.621 -10.260 17.144 1.00 37.60 H new ATOM 0 HD3 LYS A 77 43.490 -11.002 15.816 1.00 37.60 H new ATOM 0 HE2 LYS A 77 45.509 -11.245 17.372 1.00 37.65 H new ATOM 0 HE3 LYS A 77 44.499 -10.676 18.686 1.00 37.65 H new ATOM 0 HZ1 LYS A 77 44.518 -13.095 18.579 1.00 35.44 H new ATOM 0 HZ2 LYS A 77 42.956 -12.511 18.259 1.00 35.44 H new ATOM 0 HZ3 LYS A 77 43.935 -13.062 16.985 1.00 35.44 H new ATOM 1147 N ASP A 78 40.874 -5.594 17.010 1.00 38.44 N ATOM 1148 CA ASP A 78 40.161 -4.605 17.811 1.00 38.90 C ATOM 1149 C ASP A 78 39.072 -3.929 16.984 1.00 38.64 C ATOM 1150 O ASP A 78 38.857 -4.274 15.822 1.00 38.62 O ATOM 1151 CB ASP A 78 41.140 -3.549 18.329 1.00 39.45 C ATOM 1152 CG ASP A 78 41.905 -4.093 19.530 1.00 40.62 C ATOM 1153 OD1 ASP A 78 43.055 -3.719 19.694 1.00 41.55 O ATOM 1154 OD2 ASP A 78 41.330 -4.876 20.269 1.00 42.58 O ATOM 0 H ASP A 78 40.655 -5.573 16.014 1.00 38.44 H new ATOM 0 HA ASP A 78 39.696 -5.115 18.655 1.00 38.90 H new ATOM 0 HB2 ASP A 78 41.837 -3.269 17.539 1.00 39.45 H new ATOM 0 HB3 ASP A 78 40.598 -2.646 18.611 1.00 39.45 H new ATOM 1159 N THR A 79 38.387 -2.965 17.591 1.00 38.19 N ATOM 1160 CA THR A 79 37.322 -2.247 16.901 1.00 37.86 C ATOM 1161 C THR A 79 37.902 -1.305 15.852 1.00 37.73 C ATOM 1162 O THR A 79 39.086 -0.969 15.892 1.00 37.97 O ATOM 1163 CB THR A 79 36.495 -1.446 17.909 1.00 37.85 C ATOM 1164 OG1 THR A 79 35.776 -0.428 17.226 1.00 37.57 O ATOM 1165 CG2 THR A 79 37.424 -0.809 18.944 1.00 38.40 C ATOM 0 H THR A 79 38.549 -2.665 18.552 1.00 38.19 H new ATOM 0 HA THR A 79 36.682 -2.975 16.403 1.00 37.86 H new ATOM 0 HB THR A 79 35.794 -2.111 18.414 1.00 37.85 H new ATOM 0 HG1 THR A 79 35.244 0.085 17.870 1.00 37.57 H new ATOM 0 HG21 THR A 79 36.833 -0.239 19.661 1.00 38.40 H new ATOM 0 HG22 THR A 79 37.975 -1.590 19.468 1.00 38.40 H new ATOM 0 HG23 THR A 79 38.126 -0.144 18.442 1.00 38.40 H new ATOM 1173 N ASP A 80 37.061 -0.881 14.914 1.00 36.93 N ATOM 1174 CA ASP A 80 37.502 0.024 13.859 1.00 35.96 C ATOM 1175 C ASP A 80 36.571 1.228 13.761 1.00 34.62 C ATOM 1176 O ASP A 80 35.390 1.140 14.096 1.00 34.15 O ATOM 1177 CB ASP A 80 37.531 -0.713 12.519 1.00 36.21 C ATOM 1178 CG ASP A 80 38.235 0.141 11.469 1.00 36.84 C ATOM 1179 OD1 ASP A 80 37.583 0.525 10.512 1.00 37.34 O ATOM 1180 OD2 ASP A 80 39.416 0.398 11.639 1.00 37.51 O ATOM 0 H ASP A 80 36.078 -1.147 14.863 1.00 36.93 H new ATOM 0 HA ASP A 80 38.505 0.375 14.102 1.00 35.96 H new ATOM 0 HB2 ASP A 80 38.047 -1.666 12.630 1.00 36.21 H new ATOM 0 HB3 ASP A 80 36.514 -0.937 12.196 1.00 36.21 H new ATOM 1185 N SER A 81 37.111 2.351 13.299 1.00 33.12 N ATOM 1186 CA SER A 81 36.318 3.568 13.161 1.00 32.50 C ATOM 1187 C SER A 81 36.190 3.961 11.693 1.00 31.96 C ATOM 1188 O SER A 81 37.187 4.239 11.026 1.00 32.51 O ATOM 1189 CB SER A 81 36.973 4.708 13.940 1.00 32.54 C ATOM 1190 OG SER A 81 37.641 5.574 13.033 1.00 31.58 O ATOM 0 H SER A 81 38.086 2.444 13.016 1.00 33.12 H new ATOM 0 HA SER A 81 35.323 3.378 13.563 1.00 32.50 H new ATOM 0 HB2 SER A 81 36.219 5.261 14.500 1.00 32.54 H new ATOM 0 HB3 SER A 81 37.680 4.308 14.666 1.00 32.54 H new ATOM 0 HG SER A 81 38.095 5.042 12.347 1.00 31.58 H new ATOM 1196 N GLU A 82 34.958 3.982 11.195 1.00 30.82 N ATOM 1197 CA GLU A 82 34.713 4.343 9.804 1.00 29.89 C ATOM 1198 C GLU A 82 35.292 5.720 9.498 1.00 28.70 C ATOM 1199 O GLU A 82 35.363 6.131 8.339 1.00 28.16 O ATOM 1200 CB GLU A 82 33.209 4.345 9.521 1.00 30.37 C ATOM 1201 CG GLU A 82 32.539 3.223 10.317 1.00 31.12 C ATOM 1202 CD GLU A 82 31.116 3.006 9.814 1.00 32.64 C ATOM 1203 OE1 GLU A 82 30.889 3.205 8.632 1.00 34.28 O ATOM 1204 OE2 GLU A 82 30.273 2.644 10.619 1.00 32.86 O ATOM 0 H GLU A 82 34.119 3.755 11.730 1.00 30.82 H new ATOM 0 HA GLU A 82 35.201 3.606 9.166 1.00 29.89 H new ATOM 0 HB2 GLU A 82 32.778 5.308 9.795 1.00 30.37 H new ATOM 0 HB3 GLU A 82 33.028 4.207 8.455 1.00 30.37 H new ATOM 0 HG2 GLU A 82 33.113 2.302 10.217 1.00 31.12 H new ATOM 0 HG3 GLU A 82 32.524 3.476 11.377 1.00 31.12 H new ATOM 1211 N GLU A 83 35.705 6.429 10.543 1.00 27.40 N ATOM 1212 CA GLU A 83 36.277 7.760 10.374 1.00 26.44 C ATOM 1213 C GLU A 83 37.605 7.681 9.627 1.00 24.80 C ATOM 1214 O GLU A 83 37.881 8.494 8.745 1.00 24.59 O ATOM 1215 CB GLU A 83 36.497 8.412 11.741 1.00 26.68 C ATOM 1216 CG GLU A 83 36.426 9.933 11.598 1.00 28.12 C ATOM 1217 CD GLU A 83 36.701 10.596 12.943 1.00 29.86 C ATOM 1218 OE1 GLU A 83 35.745 10.922 13.628 1.00 30.91 O ATOM 1219 OE2 GLU A 83 37.864 10.768 13.269 1.00 30.49 O ATOM 0 H GLU A 83 35.655 6.107 11.510 1.00 27.40 H new ATOM 0 HA GLU A 83 35.580 8.363 9.792 1.00 26.44 H new ATOM 0 HB2 GLU A 83 35.741 8.067 12.446 1.00 26.68 H new ATOM 0 HB3 GLU A 83 37.466 8.119 12.144 1.00 26.68 H new ATOM 0 HG2 GLU A 83 37.154 10.272 10.861 1.00 28.12 H new ATOM 0 HG3 GLU A 83 35.442 10.227 11.233 1.00 28.12 H new ATOM 1226 N GLU A 84 38.422 6.696 9.985 1.00 22.86 N ATOM 1227 CA GLU A 84 39.719 6.520 9.341 1.00 21.10 C ATOM 1228 C GLU A 84 39.542 6.101 7.885 1.00 19.58 C ATOM 1229 O GLU A 84 40.330 6.482 7.020 1.00 18.69 O ATOM 1230 CB GLU A 84 40.530 5.457 10.085 1.00 21.32 C ATOM 1231 CG GLU A 84 41.889 5.283 9.404 1.00 21.26 C ATOM 1232 CD GLU A 84 42.652 6.604 9.416 1.00 20.61 C ATOM 1233 OE1 GLU A 84 42.747 7.219 8.367 1.00 18.73 O ATOM 1234 OE2 GLU A 84 43.129 6.980 10.474 1.00 19.88 O ATOM 0 H GLU A 84 38.212 6.012 10.712 1.00 22.86 H new ATOM 0 HA GLU A 84 40.251 7.471 9.371 1.00 21.10 H new ATOM 0 HB2 GLU A 84 40.668 5.751 11.125 1.00 21.32 H new ATOM 0 HB3 GLU A 84 39.990 4.510 10.090 1.00 21.32 H new ATOM 0 HG2 GLU A 84 42.467 4.515 9.918 1.00 21.26 H new ATOM 0 HG3 GLU A 84 41.750 4.943 8.378 1.00 21.26 H new ATOM 1241 N ILE A 85 38.503 5.315 7.622 1.00 18.05 N ATOM 1242 CA ILE A 85 38.233 4.851 6.267 1.00 17.24 C ATOM 1243 C ILE A 85 37.713 5.994 5.401 1.00 15.64 C ATOM 1244 O ILE A 85 37.794 5.943 4.174 1.00 14.56 O ATOM 1245 CB ILE A 85 37.200 3.723 6.297 1.00 17.25 C ATOM 1246 CG1 ILE A 85 37.887 2.414 6.696 1.00 18.63 C ATOM 1247 CG2 ILE A 85 36.574 3.566 4.910 1.00 19.17 C ATOM 1248 CD1 ILE A 85 36.883 1.507 7.408 1.00 18.98 C ATOM 0 H ILE A 85 37.839 4.988 8.324 1.00 18.05 H new ATOM 0 HA ILE A 85 39.165 4.481 5.839 1.00 17.24 H new ATOM 0 HB ILE A 85 36.422 3.963 7.022 1.00 17.25 H new ATOM 0 HG12 ILE A 85 38.281 1.914 5.812 1.00 18.63 H new ATOM 0 HG13 ILE A 85 38.734 2.620 7.350 1.00 18.63 H new ATOM 0 HG21 ILE A 85 35.838 2.762 4.932 1.00 19.17 H new ATOM 0 HG22 ILE A 85 36.086 4.497 4.624 1.00 19.17 H new ATOM 0 HG23 ILE A 85 37.352 3.326 4.185 1.00 19.17 H new ATOM 0 HD11 ILE A 85 37.372 0.575 7.692 1.00 18.98 H new ATOM 0 HD12 ILE A 85 36.510 2.008 8.301 1.00 18.98 H new ATOM 0 HD13 ILE A 85 36.050 1.290 6.739 1.00 18.98 H new ATOM 1260 N ARG A 86 37.181 7.025 6.049 1.00 14.41 N ATOM 1261 CA ARG A 86 36.651 8.177 5.327 1.00 13.90 C ATOM 1262 C ARG A 86 37.782 9.102 4.890 1.00 12.70 C ATOM 1263 O ARG A 86 37.920 9.414 3.707 1.00 11.99 O ATOM 1264 CB ARG A 86 35.674 8.948 6.217 1.00 14.24 C ATOM 1265 CG ARG A 86 34.326 8.225 6.243 1.00 17.61 C ATOM 1266 CD ARG A 86 33.435 8.844 7.321 1.00 20.77 C ATOM 1267 NE ARG A 86 32.323 7.953 7.630 1.00 24.52 N ATOM 1268 CZ ARG A 86 31.145 8.432 8.015 1.00 25.58 C ATOM 1269 NH1 ARG A 86 30.165 7.614 8.287 1.00 26.77 N ATOM 1270 NH2 ARG A 86 30.968 9.721 8.121 1.00 26.85 N ATOM 0 H ARG A 86 37.105 7.087 7.064 1.00 14.41 H new ATOM 0 HA ARG A 86 36.128 7.817 4.441 1.00 13.90 H new ATOM 0 HB2 ARG A 86 36.074 9.030 7.228 1.00 14.24 H new ATOM 0 HB3 ARG A 86 35.547 9.963 5.841 1.00 14.24 H new ATOM 0 HG2 ARG A 86 33.842 8.300 5.269 1.00 17.61 H new ATOM 0 HG3 ARG A 86 34.474 7.164 6.444 1.00 17.61 H new ATOM 0 HD2 ARG A 86 34.020 9.033 8.221 1.00 20.77 H new ATOM 0 HD3 ARG A 86 33.055 9.807 6.980 1.00 20.77 H new ATOM 0 HE ARG A 86 32.452 6.944 7.549 1.00 24.52 H new ATOM 0 HH11 ARG A 86 30.303 6.607 8.204 1.00 26.77 H new ATOM 0 HH12 ARG A 86 29.261 7.982 8.583 1.00 26.77 H new ATOM 0 HH21 ARG A 86 31.734 10.360 7.908 1.00 26.85 H new ATOM 0 HH22 ARG A 86 30.064 10.089 8.417 1.00 26.85 H new ATOM 1284 N GLU A 87 38.589 9.538 5.852 1.00 11.87 N ATOM 1285 CA GLU A 87 39.705 10.428 5.556 1.00 11.27 C ATOM 1286 C GLU A 87 40.628 9.802 4.515 1.00 10.38 C ATOM 1287 O GLU A 87 40.814 10.348 3.427 1.00 9.38 O ATOM 1288 CB GLU A 87 40.495 10.717 6.836 1.00 11.16 C ATOM 1289 CG GLU A 87 40.599 12.230 7.046 1.00 12.67 C ATOM 1290 CD GLU A 87 39.292 12.768 7.617 1.00 13.78 C ATOM 1291 OE1 GLU A 87 38.278 12.634 6.951 1.00 15.83 O ATOM 1292 OE2 GLU A 87 39.323 13.306 8.711 1.00 16.48 O ATOM 0 H GLU A 87 38.492 9.291 6.837 1.00 11.87 H new ATOM 0 HA GLU A 87 39.307 11.361 5.157 1.00 11.27 H new ATOM 0 HB2 GLU A 87 40.003 10.254 7.691 1.00 11.16 H new ATOM 0 HB3 GLU A 87 41.491 10.280 6.767 1.00 11.16 H new ATOM 0 HG2 GLU A 87 41.422 12.456 7.724 1.00 12.67 H new ATOM 0 HG3 GLU A 87 40.822 12.722 6.099 1.00 12.67 H new ATOM 1299 N ALA A 88 41.205 8.654 4.856 1.00 9.34 N ATOM 1300 CA ALA A 88 42.108 7.964 3.942 1.00 9.01 C ATOM 1301 C ALA A 88 41.512 7.908 2.539 1.00 8.92 C ATOM 1302 O ALA A 88 42.176 8.244 1.559 1.00 8.79 O ATOM 1303 CB ALA A 88 42.373 6.543 4.444 1.00 9.91 C ATOM 0 H ALA A 88 41.065 8.185 5.751 1.00 9.34 H new ATOM 0 HA ALA A 88 43.047 8.516 3.903 1.00 9.01 H new ATOM 0 HB1 ALA A 88 43.048 6.034 3.756 1.00 9.91 H new ATOM 0 HB2 ALA A 88 42.828 6.586 5.434 1.00 9.91 H new ATOM 0 HB3 ALA A 88 41.432 5.996 4.500 1.00 9.91 H new ATOM 1309 N PHE A 89 40.256 7.482 2.452 1.00 7.54 N ATOM 1310 CA PHE A 89 39.580 7.387 1.163 1.00 7.23 C ATOM 1311 C PHE A 89 39.438 8.768 0.530 1.00 8.19 C ATOM 1312 O PHE A 89 39.932 9.011 -0.571 1.00 8.53 O ATOM 1313 CB PHE A 89 38.196 6.763 1.348 1.00 7.14 C ATOM 1314 CG PHE A 89 37.568 6.521 -0.004 1.00 5.05 C ATOM 1315 CD1 PHE A 89 37.530 5.227 -0.537 1.00 4.80 C ATOM 1316 CD2 PHE A 89 37.025 7.591 -0.723 1.00 5.56 C ATOM 1317 CE1 PHE A 89 36.948 5.003 -1.790 1.00 7.76 C ATOM 1318 CE2 PHE A 89 36.443 7.367 -1.976 1.00 2.16 C ATOM 1319 CZ PHE A 89 36.404 6.073 -2.510 1.00 6.19 C ATOM 0 H PHE A 89 39.689 7.199 3.252 1.00 7.54 H new ATOM 0 HA PHE A 89 40.178 6.758 0.503 1.00 7.23 H new ATOM 0 HB2 PHE A 89 38.279 5.824 1.896 1.00 7.14 H new ATOM 0 HB3 PHE A 89 37.564 7.424 1.942 1.00 7.14 H new ATOM 0 HD1 PHE A 89 37.950 4.402 0.019 1.00 4.80 H new ATOM 0 HD2 PHE A 89 37.055 8.589 -0.312 1.00 5.56 H new ATOM 0 HE1 PHE A 89 36.919 4.005 -2.201 1.00 7.76 H new ATOM 0 HE2 PHE A 89 36.024 8.193 -2.532 1.00 2.16 H new ATOM 0 HZ PHE A 89 35.954 5.901 -3.477 1.00 6.19 H new ATOM 1329 N ARG A 90 38.761 9.669 1.235 1.00 8.03 N ATOM 1330 CA ARG A 90 38.557 11.025 0.737 1.00 8.76 C ATOM 1331 C ARG A 90 39.891 11.751 0.594 1.00 7.43 C ATOM 1332 O ARG A 90 39.990 12.757 -0.109 1.00 6.92 O ATOM 1333 CB ARG A 90 37.652 11.801 1.696 1.00 8.74 C ATOM 1334 CG ARG A 90 37.423 13.213 1.155 1.00 13.55 C ATOM 1335 CD ARG A 90 36.174 13.811 1.803 1.00 14.45 C ATOM 1336 NE ARG A 90 35.902 15.134 1.252 1.00 17.08 N ATOM 1337 CZ ARG A 90 36.531 16.212 1.710 1.00 17.02 C ATOM 1338 NH1 ARG A 90 36.268 17.385 1.203 1.00 17.58 N ATOM 1339 NH2 ARG A 90 37.410 16.096 2.668 1.00 17.03 N ATOM 0 H ARG A 90 38.346 9.486 2.149 1.00 8.03 H new ATOM 0 HA ARG A 90 38.083 10.965 -0.243 1.00 8.76 H new ATOM 0 HB2 ARG A 90 36.699 11.285 1.810 1.00 8.74 H new ATOM 0 HB3 ARG A 90 38.109 11.849 2.685 1.00 8.74 H new ATOM 0 HG2 ARG A 90 38.290 13.839 1.365 1.00 13.55 H new ATOM 0 HG3 ARG A 90 37.305 13.184 0.072 1.00 13.55 H new ATOM 0 HD2 ARG A 90 35.319 13.156 1.634 1.00 14.45 H new ATOM 0 HD3 ARG A 90 36.313 13.880 2.882 1.00 14.45 H new ATOM 0 HE ARG A 90 35.217 15.234 0.502 1.00 17.08 H new ATOM 0 HH11 ARG A 90 35.580 17.475 0.455 1.00 17.58 H new ATOM 0 HH12 ARG A 90 36.750 18.212 1.554 1.00 17.58 H new ATOM 0 HH21 ARG A 90 37.614 15.179 3.065 1.00 17.03 H new ATOM 0 HH22 ARG A 90 37.893 16.923 3.020 1.00 17.03 H new ATOM 1353 N VAL A 91 40.914 11.235 1.267 1.00 7.00 N ATOM 1354 CA VAL A 91 42.239 11.842 1.209 1.00 6.43 C ATOM 1355 C VAL A 91 42.863 11.644 -0.169 1.00 6.80 C ATOM 1356 O VAL A 91 43.776 12.374 -0.558 1.00 5.87 O ATOM 1357 CB VAL A 91 43.145 11.223 2.274 1.00 6.46 C ATOM 1358 CG1 VAL A 91 44.609 11.459 1.900 1.00 7.40 C ATOM 1359 CG2 VAL A 91 42.855 11.874 3.629 1.00 7.82 C ATOM 0 H VAL A 91 40.852 10.404 1.855 1.00 7.00 H new ATOM 0 HA VAL A 91 42.134 12.911 1.397 1.00 6.43 H new ATOM 0 HB VAL A 91 42.954 10.152 2.335 1.00 6.46 H new ATOM 0 HG11 VAL A 91 45.254 11.018 2.660 1.00 7.40 H new ATOM 0 HG12 VAL A 91 44.817 10.998 0.935 1.00 7.40 H new ATOM 0 HG13 VAL A 91 44.801 12.530 1.839 1.00 7.40 H new ATOM 0 HG21 VAL A 91 43.500 11.434 4.390 1.00 7.82 H new ATOM 0 HG22 VAL A 91 43.046 12.945 3.566 1.00 7.82 H new ATOM 0 HG23 VAL A 91 41.812 11.707 3.897 1.00 7.82 H new ATOM 1369 N PHE A 92 42.367 10.653 -0.903 0.50 6.77 N ATOM 1370 CA PHE A 92 42.887 10.368 -2.236 0.50 7.12 C ATOM 1371 C PHE A 92 42.039 11.054 -3.303 0.50 7.91 C ATOM 1372 O PHE A 92 42.545 11.443 -4.356 0.50 9.11 O ATOM 1373 CB PHE A 92 42.894 8.858 -2.481 0.50 7.14 C ATOM 1374 CG PHE A 92 44.207 8.278 -2.015 0.50 4.87 C ATOM 1375 CD1 PHE A 92 45.343 8.374 -2.827 0.50 6.96 C ATOM 1376 CD2 PHE A 92 44.289 7.643 -0.769 0.50 4.32 C ATOM 1377 CE1 PHE A 92 46.561 7.836 -2.395 0.50 5.48 C ATOM 1378 CE2 PHE A 92 45.507 7.105 -0.337 0.50 6.74 C ATOM 1379 CZ PHE A 92 46.643 7.201 -1.149 0.50 6.55 C ATOM 0 H PHE A 92 41.612 10.038 -0.601 0.50 6.77 H new ATOM 0 HA PHE A 92 43.905 10.752 -2.297 0.50 7.12 H new ATOM 0 HB2 PHE A 92 42.067 8.389 -1.948 0.50 7.14 H new ATOM 0 HB3 PHE A 92 42.748 8.650 -3.541 0.50 7.14 H new ATOM 0 HD1 PHE A 92 45.280 8.864 -3.788 0.50 6.96 H new ATOM 0 HD2 PHE A 92 43.413 7.569 -0.142 0.50 4.32 H new ATOM 0 HE1 PHE A 92 47.437 7.910 -3.022 0.50 5.48 H new ATOM 0 HE2 PHE A 92 45.570 6.615 0.624 0.50 6.74 H new ATOM 0 HZ PHE A 92 47.582 6.786 -0.815 0.50 6.55 H new ATOM 1389 N ASP A 93 40.747 11.196 -3.026 1.00 8.87 N ATOM 1390 CA ASP A 93 39.839 11.834 -3.974 1.00 8.42 C ATOM 1391 C ASP A 93 39.905 13.353 -3.846 1.00 8.51 C ATOM 1392 O ASP A 93 38.954 13.988 -3.394 1.00 8.68 O ATOM 1393 CB ASP A 93 38.406 11.362 -3.721 1.00 9.10 C ATOM 1394 CG ASP A 93 37.432 12.177 -4.565 1.00 10.79 C ATOM 1395 OD1 ASP A 93 37.286 11.864 -5.735 1.00 11.11 O ATOM 1396 OD2 ASP A 93 36.846 13.103 -4.029 1.00 7.32 O ATOM 0 H ASP A 93 40.307 10.881 -2.161 1.00 8.87 H new ATOM 0 HA ASP A 93 40.143 11.554 -4.982 1.00 8.42 H new ATOM 0 HB2 ASP A 93 38.314 10.304 -3.965 1.00 9.10 H new ATOM 0 HB3 ASP A 93 38.161 11.468 -2.664 1.00 9.10 H new ATOM 1401 N LYS A 94 41.037 13.925 -4.241 1.00 9.41 N ATOM 1402 CA LYS A 94 41.227 15.371 -4.164 1.00 9.18 C ATOM 1403 C LYS A 94 40.007 16.118 -4.699 1.00 9.05 C ATOM 1404 O LYS A 94 39.829 17.305 -4.424 1.00 7.14 O ATOM 1405 CB LYS A 94 42.464 15.776 -4.966 1.00 9.58 C ATOM 1406 CG LYS A 94 43.254 16.831 -4.189 1.00 10.67 C ATOM 1407 CD LYS A 94 44.308 17.457 -5.104 1.00 11.93 C ATOM 1408 CE LYS A 94 44.799 18.771 -4.494 1.00 14.25 C ATOM 1409 NZ LYS A 94 45.703 19.459 -5.459 1.00 14.57 N ATOM 0 H LYS A 94 41.835 13.413 -4.617 1.00 9.41 H new ATOM 0 HA LYS A 94 41.362 15.638 -3.116 1.00 9.18 H new ATOM 0 HB2 LYS A 94 43.090 14.904 -5.154 1.00 9.58 H new ATOM 0 HB3 LYS A 94 42.167 16.171 -5.937 1.00 9.58 H new ATOM 0 HG2 LYS A 94 42.580 17.601 -3.813 1.00 10.67 H new ATOM 0 HG3 LYS A 94 43.734 16.376 -3.322 1.00 10.67 H new ATOM 0 HD2 LYS A 94 45.144 16.770 -5.236 1.00 11.93 H new ATOM 0 HD3 LYS A 94 43.885 17.638 -6.092 1.00 11.93 H new ATOM 0 HE2 LYS A 94 43.951 19.412 -4.253 1.00 14.25 H new ATOM 0 HE3 LYS A 94 45.327 18.576 -3.560 1.00 14.25 H new ATOM 0 HZ1 LYS A 94 46.037 20.353 -5.045 1.00 14.57 H new ATOM 0 HZ2 LYS A 94 46.518 18.848 -5.667 1.00 14.57 H new ATOM 0 HZ3 LYS A 94 45.185 19.657 -6.339 1.00 14.57 H new ATOM 1423 N ASP A 95 39.172 15.424 -5.467 1.00 7.02 N ATOM 1424 CA ASP A 95 37.978 16.047 -6.033 1.00 7.13 C ATOM 1425 C ASP A 95 36.906 16.226 -4.963 1.00 6.43 C ATOM 1426 O ASP A 95 35.884 16.872 -5.194 1.00 4.43 O ATOM 1427 CB ASP A 95 37.428 15.184 -7.170 1.00 6.49 C ATOM 1428 CG ASP A 95 38.519 14.257 -7.696 1.00 8.86 C ATOM 1429 OD1 ASP A 95 38.943 13.391 -6.949 1.00 6.70 O ATOM 1430 OD2 ASP A 95 38.913 14.427 -8.838 1.00 10.20 O ATOM 0 H ASP A 95 39.297 14.441 -5.710 1.00 7.02 H new ATOM 0 HA ASP A 95 38.253 17.028 -6.421 1.00 7.13 H new ATOM 0 HB2 ASP A 95 36.581 14.597 -6.815 1.00 6.49 H new ATOM 0 HB3 ASP A 95 37.060 15.820 -7.975 1.00 6.49 H new ATOM 1435 N GLY A 96 37.147 15.646 -3.793 1.00 5.66 N ATOM 1436 CA GLY A 96 36.197 15.743 -2.691 1.00 5.97 C ATOM 1437 C GLY A 96 34.851 15.141 -3.080 1.00 6.08 C ATOM 1438 O GLY A 96 33.866 15.278 -2.354 1.00 6.24 O ATOM 0 H GLY A 96 37.987 15.107 -3.583 1.00 5.66 H new ATOM 0 HA2 GLY A 96 36.593 15.225 -1.817 1.00 5.97 H new ATOM 0 HA3 GLY A 96 36.065 16.788 -2.410 1.00 5.97 H new ATOM 1442 N ASN A 97 34.817 14.473 -4.228 1.00 6.39 N ATOM 1443 CA ASN A 97 33.587 13.851 -4.703 1.00 5.87 C ATOM 1444 C ASN A 97 33.404 12.479 -4.062 1.00 5.88 C ATOM 1445 O ASN A 97 32.296 11.944 -4.021 1.00 5.75 O ATOM 1446 CB ASN A 97 33.628 13.705 -6.225 1.00 5.90 C ATOM 1447 CG ASN A 97 32.626 12.648 -6.675 1.00 4.39 C ATOM 1448 OD1 ASN A 97 32.941 11.815 -7.526 1.00 7.56 O ATOM 1449 ND2 ASN A 97 31.430 12.631 -6.153 1.00 7.07 N ATOM 0 H ASN A 97 35.621 14.349 -4.843 1.00 6.39 H new ATOM 0 HA ASN A 97 32.747 14.487 -4.424 1.00 5.87 H new ATOM 0 HB2 ASN A 97 33.398 14.660 -6.696 1.00 5.90 H new ATOM 0 HB3 ASN A 97 34.632 13.426 -6.545 1.00 5.90 H new ATOM 0 HD21 ASN A 97 30.754 11.927 -6.450 1.00 7.07 H new ATOM 0 HD22 ASN A 97 31.171 13.322 -5.448 1.00 7.07 H new ATOM 1456 N GLY A 98 34.500 11.919 -3.561 1.00 6.14 N ATOM 1457 CA GLY A 98 34.453 10.611 -2.920 1.00 6.32 C ATOM 1458 C GLY A 98 34.517 9.491 -3.953 1.00 7.08 C ATOM 1459 O GLY A 98 33.969 8.408 -3.742 1.00 6.67 O ATOM 0 H GLY A 98 35.425 12.347 -3.586 1.00 6.14 H new ATOM 0 HA2 GLY A 98 35.285 10.514 -2.222 1.00 6.32 H new ATOM 0 HA3 GLY A 98 33.536 10.521 -2.337 1.00 6.32 H new ATOM 1463 N TYR A 99 35.189 9.755 -5.069 0.50 7.47 N ATOM 1464 CA TYR A 99 35.316 8.756 -6.123 0.50 7.60 C ATOM 1465 C TYR A 99 36.771 8.619 -6.561 0.50 7.45 C ATOM 1466 O TYR A 99 37.465 9.615 -6.764 0.50 7.71 O ATOM 1467 CB TYR A 99 34.455 9.154 -7.323 0.50 7.79 C ATOM 1468 CG TYR A 99 33.004 8.870 -7.018 0.50 7.27 C ATOM 1469 CD1 TYR A 99 32.318 9.656 -6.084 0.50 9.00 C ATOM 1470 CD2 TYR A 99 32.345 7.820 -7.668 0.50 6.58 C ATOM 1471 CE1 TYR A 99 30.973 9.392 -5.801 0.50 5.79 C ATOM 1472 CE2 TYR A 99 30.999 7.556 -7.385 0.50 6.90 C ATOM 1473 CZ TYR A 99 30.313 8.342 -6.451 0.50 6.97 C ATOM 1474 OH TYR A 99 28.987 8.082 -6.172 0.50 5.02 O ATOM 0 H TYR A 99 35.650 10.643 -5.266 0.50 7.47 H new ATOM 0 HA TYR A 99 34.976 7.797 -5.732 0.50 7.60 H new ATOM 0 HB2 TYR A 99 34.590 10.212 -7.546 0.50 7.79 H new ATOM 0 HB3 TYR A 99 34.767 8.599 -8.208 0.50 7.79 H new ATOM 0 HD1 TYR A 99 32.827 10.466 -5.582 0.50 9.00 H new ATOM 0 HD2 TYR A 99 32.874 7.213 -8.388 0.50 6.58 H new ATOM 0 HE1 TYR A 99 30.444 9.998 -5.081 0.50 5.79 H new ATOM 0 HE2 TYR A 99 30.490 6.746 -7.887 0.50 6.90 H new ATOM 0 HH TYR A 99 28.683 7.322 -6.710 0.50 5.02 H new ATOM 1484 N ILE A 100 37.225 7.377 -6.704 1.00 6.94 N ATOM 1485 CA ILE A 100 38.599 7.119 -7.118 1.00 6.30 C ATOM 1486 C ILE A 100 38.629 6.281 -8.392 1.00 6.51 C ATOM 1487 O ILE A 100 38.479 5.060 -8.346 1.00 6.57 O ATOM 1488 CB ILE A 100 39.350 6.386 -6.005 1.00 5.54 C ATOM 1489 CG1 ILE A 100 39.412 7.275 -4.761 1.00 9.03 C ATOM 1490 CG2 ILE A 100 40.771 6.065 -6.472 1.00 4.76 C ATOM 1491 CD1 ILE A 100 40.112 6.522 -3.628 1.00 9.29 C ATOM 0 H ILE A 100 36.666 6.540 -6.541 1.00 6.94 H new ATOM 0 HA ILE A 100 39.084 8.075 -7.316 1.00 6.30 H new ATOM 0 HB ILE A 100 38.829 5.459 -5.765 1.00 5.54 H new ATOM 0 HG12 ILE A 100 39.950 8.196 -4.986 1.00 9.03 H new ATOM 0 HG13 ILE A 100 38.406 7.560 -4.455 1.00 9.03 H new ATOM 0 HG21 ILE A 100 41.306 5.543 -5.678 1.00 4.76 H new ATOM 0 HG22 ILE A 100 40.728 5.432 -7.358 1.00 4.76 H new ATOM 0 HG23 ILE A 100 41.293 6.991 -6.712 1.00 4.76 H new ATOM 0 HD11 ILE A 100 40.156 7.156 -2.742 1.00 9.29 H new ATOM 0 HD12 ILE A 100 39.556 5.614 -3.397 1.00 9.29 H new ATOM 0 HD13 ILE A 100 41.124 6.259 -3.936 1.00 9.29 H new ATOM 1503 N SER A 101 38.823 6.944 -9.527 1.00 6.74 N ATOM 1504 CA SER A 101 38.869 6.246 -10.807 1.00 4.65 C ATOM 1505 C SER A 101 40.290 5.787 -11.117 1.00 3.97 C ATOM 1506 O SER A 101 41.263 6.400 -10.677 1.00 7.02 O ATOM 1507 CB SER A 101 38.375 7.168 -11.922 1.00 3.29 C ATOM 1508 OG SER A 101 36.971 7.350 -11.793 1.00 2.08 O ATOM 0 H SER A 101 38.950 7.954 -9.588 1.00 6.74 H new ATOM 0 HA SER A 101 38.222 5.371 -10.745 1.00 4.65 H new ATOM 0 HB2 SER A 101 38.885 8.130 -11.867 1.00 3.29 H new ATOM 0 HB3 SER A 101 38.610 6.738 -12.896 1.00 3.29 H new ATOM 0 HG SER A 101 36.651 7.942 -12.505 1.00 2.08 H new ATOM 1514 N ALA A 102 40.402 4.702 -11.877 1.00 4.02 N ATOM 1515 CA ALA A 102 41.708 4.165 -12.240 1.00 4.82 C ATOM 1516 C ALA A 102 42.664 5.290 -12.625 1.00 5.07 C ATOM 1517 O ALA A 102 43.883 5.119 -12.595 1.00 6.41 O ATOM 1518 CB ALA A 102 41.565 3.192 -13.412 1.00 4.55 C ATOM 0 H ALA A 102 39.609 4.180 -12.251 1.00 4.02 H new ATOM 0 HA ALA A 102 42.115 3.638 -11.377 1.00 4.82 H new ATOM 0 HB1 ALA A 102 42.545 2.795 -13.677 1.00 4.55 H new ATOM 0 HB2 ALA A 102 40.907 2.372 -13.126 1.00 4.55 H new ATOM 0 HB3 ALA A 102 41.141 3.715 -14.269 1.00 4.55 H new ATOM 1524 N ALA A 103 42.104 6.440 -12.985 1.00 4.46 N ATOM 1525 CA ALA A 103 42.918 7.586 -13.373 1.00 3.90 C ATOM 1526 C ALA A 103 43.384 8.356 -12.142 1.00 3.42 C ATOM 1527 O ALA A 103 44.583 8.495 -11.902 1.00 5.01 O ATOM 1528 CB ALA A 103 42.113 8.515 -14.283 1.00 4.16 C ATOM 0 H ALA A 103 41.098 6.603 -13.016 1.00 4.46 H new ATOM 0 HA ALA A 103 43.793 7.219 -13.910 1.00 3.90 H new ATOM 0 HB1 ALA A 103 42.729 9.368 -14.568 1.00 4.16 H new ATOM 0 HB2 ALA A 103 41.808 7.973 -15.178 1.00 4.16 H new ATOM 0 HB3 ALA A 103 41.228 8.867 -13.753 1.00 4.16 H new ATOM 1534 N GLU A 104 42.428 8.853 -11.364 1.00 2.38 N ATOM 1535 CA GLU A 104 42.753 9.607 -10.159 1.00 2.94 C ATOM 1536 C GLU A 104 43.748 8.837 -9.297 1.00 3.92 C ATOM 1537 O GLU A 104 44.752 9.390 -8.846 1.00 4.76 O ATOM 1538 CB GLU A 104 41.481 9.878 -9.353 1.00 4.89 C ATOM 1539 CG GLU A 104 40.521 10.732 -10.185 1.00 2.54 C ATOM 1540 CD GLU A 104 39.277 11.063 -9.368 1.00 5.28 C ATOM 1541 OE1 GLU A 104 38.384 10.233 -9.322 1.00 6.84 O ATOM 1542 OE2 GLU A 104 39.235 12.142 -8.799 1.00 5.84 O ATOM 0 H GLU A 104 41.430 8.748 -11.544 1.00 2.38 H new ATOM 0 HA GLU A 104 43.203 10.554 -10.457 1.00 2.94 H new ATOM 0 HB2 GLU A 104 41.004 8.937 -9.080 1.00 4.89 H new ATOM 0 HB3 GLU A 104 41.729 10.391 -8.424 1.00 4.89 H new ATOM 0 HG2 GLU A 104 41.016 11.651 -10.497 1.00 2.54 H new ATOM 0 HG3 GLU A 104 40.239 10.198 -11.092 1.00 2.54 H new ATOM 1549 N LEU A 105 43.463 7.559 -9.071 1.00 4.80 N ATOM 1550 CA LEU A 105 44.340 6.722 -8.260 1.00 3.86 C ATOM 1551 C LEU A 105 45.769 6.772 -8.791 1.00 4.38 C ATOM 1552 O LEU A 105 46.725 6.854 -8.020 1.00 3.99 O ATOM 1553 CB LEU A 105 43.840 5.276 -8.271 1.00 3.53 C ATOM 1554 CG LEU A 105 44.655 4.446 -7.280 1.00 4.12 C ATOM 1555 CD1 LEU A 105 44.049 4.579 -5.882 1.00 4.73 C ATOM 1556 CD2 LEU A 105 44.632 2.976 -7.706 1.00 4.99 C ATOM 0 H LEU A 105 42.638 7.083 -9.435 1.00 4.80 H new ATOM 0 HA LEU A 105 44.330 7.101 -7.238 1.00 3.86 H new ATOM 0 HB2 LEU A 105 42.783 5.244 -8.006 1.00 3.53 H new ATOM 0 HB3 LEU A 105 43.930 4.857 -9.273 1.00 3.53 H new ATOM 0 HG LEU A 105 45.684 4.806 -7.266 1.00 4.12 H new ATOM 0 HD11 LEU A 105 44.631 3.987 -5.175 1.00 4.73 H new ATOM 0 HD12 LEU A 105 44.064 5.625 -5.577 1.00 4.73 H new ATOM 0 HD13 LEU A 105 43.020 4.220 -5.896 1.00 4.73 H new ATOM 0 HD21 LEU A 105 45.213 2.383 -7.000 1.00 4.99 H new ATOM 0 HD22 LEU A 105 43.603 2.617 -7.720 1.00 4.99 H new ATOM 0 HD23 LEU A 105 45.064 2.879 -8.702 1.00 4.99 H new ATOM 1568 N ARG A 106 45.907 6.721 -10.112 1.00 3.11 N ATOM 1569 CA ARG A 106 47.225 6.761 -10.735 1.00 5.25 C ATOM 1570 C ARG A 106 47.836 8.153 -10.609 1.00 4.62 C ATOM 1571 O ARG A 106 49.048 8.323 -10.739 1.00 4.29 O ATOM 1572 CB ARG A 106 47.115 6.383 -12.213 1.00 5.02 C ATOM 1573 CG ARG A 106 46.744 4.904 -12.336 1.00 5.93 C ATOM 1574 CD ARG A 106 46.430 4.576 -13.797 1.00 8.89 C ATOM 1575 NE ARG A 106 47.643 4.650 -14.603 1.00 11.71 N ATOM 1576 CZ ARG A 106 48.008 5.784 -15.193 1.00 13.93 C ATOM 1577 NH1 ARG A 106 49.097 5.826 -15.910 1.00 15.02 N ATOM 1578 NH2 ARG A 106 47.276 6.856 -15.055 1.00 15.24 N ATOM 0 H ARG A 106 45.129 6.652 -10.768 1.00 3.11 H new ATOM 0 HA ARG A 106 47.869 6.046 -10.223 1.00 5.25 H new ATOM 0 HB2 ARG A 106 46.361 7.000 -12.702 1.00 5.02 H new ATOM 0 HB3 ARG A 106 48.061 6.575 -12.720 1.00 5.02 H new ATOM 0 HG2 ARG A 106 47.565 4.281 -11.981 1.00 5.93 H new ATOM 0 HG3 ARG A 106 45.881 4.681 -11.709 1.00 5.93 H new ATOM 0 HD2 ARG A 106 45.998 3.578 -13.868 1.00 8.89 H new ATOM 0 HD3 ARG A 106 45.686 5.274 -14.182 1.00 8.89 H new ATOM 0 HE ARG A 106 48.221 3.817 -14.716 1.00 11.71 H new ATOM 0 HH11 ARG A 106 49.669 4.988 -16.018 1.00 15.02 H new ATOM 0 HH12 ARG A 106 49.376 6.696 -16.362 1.00 15.02 H new ATOM 0 HH21 ARG A 106 46.424 6.823 -14.495 1.00 15.24 H new ATOM 0 HH22 ARG A 106 47.556 7.726 -15.508 1.00 15.24 H new ATOM 1592 N HIS A 107 46.989 9.145 -10.355 1.00 5.92 N ATOM 1593 CA HIS A 107 47.457 10.519 -10.215 1.00 8.12 C ATOM 1594 C HIS A 107 48.180 10.709 -8.885 1.00 8.85 C ATOM 1595 O HIS A 107 49.260 11.297 -8.833 1.00 9.30 O ATOM 1596 CB HIS A 107 46.273 11.484 -10.296 1.00 10.37 C ATOM 1597 CG HIS A 107 46.779 12.901 -10.295 1.00 10.94 C ATOM 1598 ND1 HIS A 107 48.130 13.203 -10.367 1.00 14.82 N ATOM 1599 CD2 HIS A 107 46.128 14.107 -10.230 1.00 14.65 C ATOM 1600 CE1 HIS A 107 48.247 14.544 -10.344 1.00 15.69 C ATOM 1601 NE2 HIS A 107 47.056 15.143 -10.262 1.00 15.65 N ATOM 0 H HIS A 107 45.982 9.025 -10.243 1.00 5.92 H new ATOM 0 HA HIS A 107 48.154 10.729 -11.026 1.00 8.12 H new ATOM 0 HB2 HIS A 107 45.696 11.293 -11.201 1.00 10.37 H new ATOM 0 HB3 HIS A 107 45.603 11.325 -9.451 1.00 10.37 H new ATOM 0 HD1 HIS A 107 48.896 12.532 -10.427 1.00 14.82 H new ATOM 0 HD2 HIS A 107 45.057 14.233 -10.164 1.00 14.65 H new ATOM 0 HE1 HIS A 107 49.189 15.071 -10.387 1.00 15.69 H new ATOM 1610 N VAL A 108 47.577 10.208 -7.812 1.00 9.44 N ATOM 1611 CA VAL A 108 48.172 10.331 -6.485 1.00 9.72 C ATOM 1612 C VAL A 108 49.231 9.255 -6.268 1.00 9.70 C ATOM 1613 O VAL A 108 50.403 9.560 -6.047 1.00 10.80 O ATOM 1614 CB VAL A 108 47.089 10.204 -5.413 1.00 9.77 C ATOM 1615 CG1 VAL A 108 47.722 10.344 -4.028 1.00 8.84 C ATOM 1616 CG2 VAL A 108 46.045 11.305 -5.609 1.00 12.28 C ATOM 0 H VAL A 108 46.684 9.716 -7.834 1.00 9.44 H new ATOM 0 HA VAL A 108 48.645 11.310 -6.411 1.00 9.72 H new ATOM 0 HB VAL A 108 46.609 9.229 -5.496 1.00 9.77 H new ATOM 0 HG11 VAL A 108 46.950 10.253 -3.264 1.00 8.84 H new ATOM 0 HG12 VAL A 108 48.466 9.560 -3.887 1.00 8.84 H new ATOM 0 HG13 VAL A 108 48.202 11.319 -3.944 1.00 8.84 H new ATOM 0 HG21 VAL A 108 45.273 11.215 -4.845 1.00 12.28 H new ATOM 0 HG22 VAL A 108 46.525 12.280 -5.526 1.00 12.28 H new ATOM 0 HG23 VAL A 108 45.592 11.206 -6.596 1.00 12.28 H new ATOM 1626 N MET A 109 48.810 7.996 -6.328 0.50 9.38 N ATOM 1627 CA MET A 109 49.730 6.881 -6.132 0.50 9.31 C ATOM 1628 C MET A 109 50.994 7.073 -6.965 0.50 9.50 C ATOM 1629 O MET A 109 52.017 6.436 -6.712 0.50 9.53 O ATOM 1630 CB MET A 109 49.051 5.569 -6.528 0.50 8.72 C ATOM 1631 CG MET A 109 48.042 5.169 -5.450 0.50 8.81 C ATOM 1632 SD MET A 109 48.920 4.461 -4.035 0.50 6.87 S ATOM 1633 CE MET A 109 48.494 2.730 -4.345 0.50 6.63 C ATOM 0 H MET A 109 47.844 7.723 -6.510 0.50 9.38 H new ATOM 0 HA MET A 109 50.006 6.845 -5.078 0.50 9.31 H new ATOM 0 HB2 MET A 109 48.547 5.684 -7.488 0.50 8.72 H new ATOM 0 HB3 MET A 109 49.797 4.784 -6.651 0.50 8.72 H new ATOM 0 HG2 MET A 109 47.465 6.039 -5.136 0.50 8.81 H new ATOM 0 HG3 MET A 109 47.333 4.445 -5.851 0.50 8.81 H new ATOM 0 HE1 MET A 109 48.942 2.102 -3.575 0.50 6.63 H new ATOM 0 HE2 MET A 109 47.411 2.613 -4.325 0.50 6.63 H new ATOM 0 HE3 MET A 109 48.873 2.431 -5.322 0.50 6.63 H new ATOM 1643 N THR A 110 50.917 7.951 -7.959 1.00 10.17 N ATOM 1644 CA THR A 110 52.063 8.214 -8.822 1.00 11.15 C ATOM 1645 C THR A 110 53.042 9.168 -8.144 1.00 11.87 C ATOM 1646 O THR A 110 54.254 8.956 -8.183 1.00 11.30 O ATOM 1647 CB THR A 110 51.591 8.820 -10.146 1.00 11.33 C ATOM 1648 OG1 THR A 110 51.182 7.779 -11.021 1.00 9.45 O ATOM 1649 CG2 THR A 110 52.735 9.607 -10.787 1.00 11.67 C ATOM 0 H THR A 110 50.081 8.489 -8.186 1.00 10.17 H new ATOM 0 HA THR A 110 52.571 7.269 -9.014 1.00 11.15 H new ATOM 0 HB THR A 110 50.752 9.491 -9.960 1.00 11.33 H new ATOM 0 HG1 THR A 110 50.218 7.630 -10.924 1.00 9.45 H new ATOM 0 HG21 THR A 110 52.397 10.038 -11.730 1.00 11.67 H new ATOM 0 HG22 THR A 110 53.049 10.406 -10.115 1.00 11.67 H new ATOM 0 HG23 THR A 110 53.576 8.939 -10.974 1.00 11.67 H new ATOM 1657 N ASN A 111 52.512 10.218 -7.527 1.00 13.42 N ATOM 1658 CA ASN A 111 53.353 11.198 -6.848 1.00 14.75 C ATOM 1659 C ASN A 111 54.135 10.544 -5.714 1.00 15.38 C ATOM 1660 O ASN A 111 55.108 11.107 -5.213 1.00 14.61 O ATOM 1661 CB ASN A 111 52.488 12.328 -6.287 1.00 15.43 C ATOM 1662 CG ASN A 111 52.367 13.450 -7.312 1.00 16.39 C ATOM 1663 OD1 ASN A 111 52.742 13.275 -8.472 1.00 19.90 O ATOM 1664 ND2 ASN A 111 51.861 14.598 -6.953 1.00 21.65 N ATOM 0 H ASN A 111 51.512 10.412 -7.483 1.00 13.42 H new ATOM 0 HA ASN A 111 54.059 11.604 -7.572 1.00 14.75 H new ATOM 0 HB2 ASN A 111 51.498 11.948 -6.033 1.00 15.43 H new ATOM 0 HB3 ASN A 111 52.928 12.711 -5.366 1.00 15.43 H new ATOM 0 HD21 ASN A 111 51.775 15.353 -7.634 1.00 21.65 H new ATOM 0 HD22 ASN A 111 51.551 14.741 -5.992 1.00 21.65 H new ATOM 1671 N LEU A 112 53.705 9.353 -5.312 1.00 15.51 N ATOM 1672 CA LEU A 112 54.375 8.634 -4.235 1.00 17.09 C ATOM 1673 C LEU A 112 55.879 8.576 -4.484 1.00 17.64 C ATOM 1674 O LEU A 112 56.675 8.611 -3.546 1.00 19.20 O ATOM 1675 CB LEU A 112 53.818 7.214 -4.127 1.00 17.55 C ATOM 1676 CG LEU A 112 52.664 7.192 -3.124 1.00 18.70 C ATOM 1677 CD1 LEU A 112 53.213 7.380 -1.709 1.00 19.41 C ATOM 1678 CD2 LEU A 112 51.688 8.326 -3.446 1.00 19.55 C ATOM 0 H LEU A 112 52.902 8.868 -5.712 1.00 15.51 H new ATOM 0 HA LEU A 112 54.193 9.166 -3.301 1.00 17.09 H new ATOM 0 HB2 LEU A 112 53.472 6.873 -5.103 1.00 17.55 H new ATOM 0 HB3 LEU A 112 54.603 6.528 -3.809 1.00 17.55 H new ATOM 0 HG LEU A 112 52.146 6.235 -3.188 1.00 18.70 H new ATOM 0 HD11 LEU A 112 52.390 7.364 -0.994 1.00 19.41 H new ATOM 0 HD12 LEU A 112 53.909 6.573 -1.479 1.00 19.41 H new ATOM 0 HD13 LEU A 112 53.732 8.336 -1.644 1.00 19.41 H new ATOM 0 HD21 LEU A 112 50.865 8.311 -2.732 1.00 19.55 H new ATOM 0 HD22 LEU A 112 52.207 9.282 -3.382 1.00 19.55 H new ATOM 0 HD23 LEU A 112 51.296 8.193 -4.454 1.00 19.55 H new ATOM 1690 N GLY A 113 56.260 8.482 -5.754 1.00 18.31 N ATOM 1691 CA GLY A 113 57.671 8.413 -6.116 1.00 18.73 C ATOM 1692 C GLY A 113 57.997 7.072 -6.764 1.00 19.38 C ATOM 1693 O GLY A 113 59.162 6.743 -6.984 1.00 19.66 O ATOM 0 H GLY A 113 55.616 8.452 -6.545 1.00 18.31 H new ATOM 0 HA2 GLY A 113 57.915 9.223 -6.803 1.00 18.73 H new ATOM 0 HA3 GLY A 113 58.287 8.552 -5.227 1.00 18.73 H new ATOM 1697 N GLU A 114 56.955 6.307 -7.074 1.00 20.03 N ATOM 1698 CA GLU A 114 57.133 5.005 -7.706 1.00 20.93 C ATOM 1699 C GLU A 114 56.339 4.938 -9.006 1.00 21.67 C ATOM 1700 O GLU A 114 55.149 5.252 -9.032 1.00 21.82 O ATOM 1701 CB GLU A 114 56.665 3.897 -6.761 1.00 21.58 C ATOM 1702 CG GLU A 114 55.136 3.866 -6.729 1.00 22.38 C ATOM 1703 CD GLU A 114 54.654 3.333 -5.384 1.00 22.95 C ATOM 1704 OE1 GLU A 114 53.516 3.600 -5.036 1.00 21.15 O ATOM 1705 OE2 GLU A 114 55.430 2.664 -4.721 1.00 25.55 O ATOM 0 H GLU A 114 55.984 6.564 -6.899 1.00 20.03 H new ATOM 0 HA GLU A 114 58.191 4.866 -7.928 1.00 20.93 H new ATOM 0 HB2 GLU A 114 57.052 2.934 -7.093 1.00 21.58 H new ATOM 0 HB3 GLU A 114 57.057 4.070 -5.759 1.00 21.58 H new ATOM 0 HG2 GLU A 114 54.740 4.868 -6.896 1.00 22.38 H new ATOM 0 HG3 GLU A 114 54.760 3.236 -7.535 1.00 22.38 H new ATOM 1712 N LYS A 115 57.001 4.532 -10.085 1.00 21.94 N ATOM 1713 CA LYS A 115 56.338 4.434 -11.380 1.00 21.97 C ATOM 1714 C LYS A 115 55.505 3.160 -11.465 1.00 21.51 C ATOM 1715 O LYS A 115 56.039 2.052 -11.404 1.00 21.04 O ATOM 1716 CB LYS A 115 57.380 4.440 -12.501 1.00 22.09 C ATOM 1717 CG LYS A 115 57.588 5.872 -12.998 1.00 22.07 C ATOM 1718 CD LYS A 115 58.622 5.876 -14.126 1.00 22.17 C ATOM 1719 CE LYS A 115 60.022 6.053 -13.535 1.00 22.19 C ATOM 1720 NZ LYS A 115 61.042 5.801 -14.591 1.00 23.26 N ATOM 0 H LYS A 115 57.986 4.268 -10.089 1.00 21.94 H new ATOM 0 HA LYS A 115 55.676 5.293 -11.492 1.00 21.97 H new ATOM 0 HB2 LYS A 115 58.322 4.029 -12.138 1.00 22.09 H new ATOM 0 HB3 LYS A 115 57.050 3.803 -13.322 1.00 22.09 H new ATOM 0 HG2 LYS A 115 56.644 6.285 -13.354 1.00 22.07 H new ATOM 0 HG3 LYS A 115 57.925 6.507 -12.179 1.00 22.07 H new ATOM 0 HD2 LYS A 115 58.568 4.943 -14.687 1.00 22.17 H new ATOM 0 HD3 LYS A 115 58.407 6.682 -14.828 1.00 22.17 H new ATOM 0 HE2 LYS A 115 60.136 7.062 -13.138 1.00 22.19 H new ATOM 0 HE3 LYS A 115 60.167 5.364 -12.703 1.00 22.19 H new ATOM 0 HZ1 LYS A 115 61.994 5.921 -14.190 1.00 23.26 H new ATOM 0 HZ2 LYS A 115 60.938 4.831 -14.950 1.00 23.26 H new ATOM 0 HZ3 LYS A 115 60.908 6.475 -15.371 1.00 23.26 H new ATOM 1734 N LEU A 116 54.194 3.325 -11.607 1.00 20.82 N ATOM 1735 CA LEU A 116 53.295 2.180 -11.701 1.00 20.59 C ATOM 1736 C LEU A 116 52.771 2.029 -13.125 1.00 20.06 C ATOM 1737 O LEU A 116 52.783 2.981 -13.906 1.00 20.89 O ATOM 1738 CB LEU A 116 52.119 2.356 -10.739 1.00 21.31 C ATOM 1739 CG LEU A 116 51.791 3.843 -10.599 1.00 21.00 C ATOM 1740 CD1 LEU A 116 50.344 4.005 -10.128 1.00 23.07 C ATOM 1741 CD2 LEU A 116 52.734 4.479 -9.575 1.00 20.55 C ATOM 0 H LEU A 116 53.733 4.233 -11.659 1.00 20.82 H new ATOM 0 HA LEU A 116 53.851 1.282 -11.431 1.00 20.59 H new ATOM 0 HB2 LEU A 116 51.249 1.814 -11.109 1.00 21.31 H new ATOM 0 HB3 LEU A 116 52.366 1.934 -9.765 1.00 21.31 H new ATOM 0 HG LEU A 116 51.916 4.335 -11.564 1.00 21.00 H new ATOM 0 HD11 LEU A 116 50.110 5.065 -10.028 1.00 23.07 H new ATOM 0 HD12 LEU A 116 49.671 3.552 -10.856 1.00 23.07 H new ATOM 0 HD13 LEU A 116 50.218 3.513 -9.163 1.00 23.07 H new ATOM 0 HD21 LEU A 116 52.501 5.539 -9.475 1.00 20.55 H new ATOM 0 HD22 LEU A 116 52.609 3.987 -8.610 1.00 20.55 H new ATOM 0 HD23 LEU A 116 53.765 4.364 -9.910 1.00 20.55 H new ATOM 1753 N THR A 117 52.311 0.827 -13.456 1.00 19.20 N ATOM 1754 CA THR A 117 51.785 0.563 -14.790 1.00 18.69 C ATOM 1755 C THR A 117 50.262 0.658 -14.794 1.00 18.35 C ATOM 1756 O THR A 117 49.610 0.357 -13.794 1.00 17.96 O ATOM 1757 CB THR A 117 52.212 -0.831 -15.254 1.00 18.94 C ATOM 1758 OG1 THR A 117 51.097 -1.501 -15.825 1.00 18.27 O ATOM 1759 CG2 THR A 117 52.733 -1.631 -14.059 1.00 19.41 C ATOM 0 H THR A 117 52.292 0.026 -12.825 1.00 19.20 H new ATOM 0 HA THR A 117 52.187 1.312 -15.473 1.00 18.69 H new ATOM 0 HB THR A 117 53.002 -0.740 -15.999 1.00 18.94 H new ATOM 0 HG1 THR A 117 51.370 -2.394 -16.124 1.00 18.27 H new ATOM 0 HG21 THR A 117 53.037 -2.624 -14.391 1.00 19.41 H new ATOM 0 HG22 THR A 117 53.589 -1.117 -13.622 1.00 19.41 H new ATOM 0 HG23 THR A 117 51.945 -1.723 -13.312 1.00 19.41 H new ATOM 1767 N ASP A 118 49.703 1.078 -15.924 1.00 17.78 N ATOM 1768 CA ASP A 118 48.256 1.208 -16.045 1.00 17.28 C ATOM 1769 C ASP A 118 47.595 -0.166 -16.074 1.00 16.94 C ATOM 1770 O ASP A 118 46.526 -0.363 -15.496 1.00 16.90 O ATOM 1771 CB ASP A 118 47.906 1.972 -17.324 1.00 17.45 C ATOM 1772 CG ASP A 118 49.098 2.810 -17.773 1.00 17.24 C ATOM 1773 OD1 ASP A 118 49.619 2.537 -18.842 1.00 16.95 O ATOM 1774 OD2 ASP A 118 49.472 3.713 -17.043 1.00 18.08 O ATOM 0 H ASP A 118 50.225 1.332 -16.763 1.00 17.78 H new ATOM 0 HA ASP A 118 47.886 1.758 -15.180 1.00 17.28 H new ATOM 0 HB2 ASP A 118 47.626 1.272 -18.111 1.00 17.45 H new ATOM 0 HB3 ASP A 118 47.044 2.615 -17.149 1.00 17.45 H new ATOM 1779 N GLU A 119 48.237 -1.112 -16.751 1.00 16.47 N ATOM 1780 CA GLU A 119 47.701 -2.465 -16.848 1.00 16.08 C ATOM 1781 C GLU A 119 47.491 -3.059 -15.459 1.00 15.00 C ATOM 1782 O GLU A 119 46.584 -3.864 -15.249 1.00 14.51 O ATOM 1783 CB GLU A 119 48.662 -3.351 -17.645 1.00 16.34 C ATOM 1784 CG GLU A 119 49.015 -2.664 -18.965 1.00 17.65 C ATOM 1785 CD GLU A 119 49.652 -3.667 -19.921 1.00 18.58 C ATOM 1786 OE1 GLU A 119 49.474 -4.855 -19.706 1.00 18.43 O ATOM 1787 OE2 GLU A 119 50.309 -3.233 -20.853 1.00 20.16 O ATOM 0 H GLU A 119 49.122 -0.969 -17.237 1.00 16.47 H new ATOM 0 HA GLU A 119 46.740 -2.420 -17.360 1.00 16.08 H new ATOM 0 HB2 GLU A 119 49.567 -3.537 -17.066 1.00 16.34 H new ATOM 0 HB3 GLU A 119 48.203 -4.321 -17.839 1.00 16.34 H new ATOM 0 HG2 GLU A 119 48.117 -2.240 -19.415 1.00 17.65 H new ATOM 0 HG3 GLU A 119 49.701 -1.837 -18.782 1.00 17.65 H new ATOM 1794 N GLU A 120 48.336 -2.657 -14.515 1.00 14.19 N ATOM 1795 CA GLU A 120 48.233 -3.156 -13.149 1.00 13.46 C ATOM 1796 C GLU A 120 47.136 -2.416 -12.389 1.00 13.34 C ATOM 1797 O GLU A 120 46.174 -3.024 -11.921 1.00 13.03 O ATOM 1798 CB GLU A 120 49.568 -2.977 -12.425 1.00 13.02 C ATOM 1799 CG GLU A 120 50.543 -4.068 -12.872 1.00 11.76 C ATOM 1800 CD GLU A 120 51.720 -4.143 -11.906 1.00 11.68 C ATOM 1801 OE1 GLU A 120 51.704 -3.417 -10.926 1.00 7.04 O ATOM 1802 OE2 GLU A 120 52.621 -4.926 -12.160 1.00 10.77 O ATOM 0 H GLU A 120 49.094 -1.992 -14.669 1.00 14.19 H new ATOM 0 HA GLU A 120 47.981 -4.216 -13.188 1.00 13.46 H new ATOM 0 HB2 GLU A 120 49.983 -1.993 -12.643 1.00 13.02 H new ATOM 0 HB3 GLU A 120 49.418 -3.028 -11.347 1.00 13.02 H new ATOM 0 HG2 GLU A 120 50.032 -5.030 -12.911 1.00 11.76 H new ATOM 0 HG3 GLU A 120 50.902 -3.856 -13.879 1.00 11.76 H new ATOM 1809 N VAL A 121 47.289 -1.101 -12.272 1.00 13.10 N ATOM 1810 CA VAL A 121 46.305 -0.288 -11.566 1.00 12.97 C ATOM 1811 C VAL A 121 44.901 -0.572 -12.090 1.00 12.84 C ATOM 1812 O VAL A 121 43.986 -0.858 -11.319 1.00 13.10 O ATOM 1813 CB VAL A 121 46.628 1.196 -11.746 1.00 13.08 C ATOM 1814 CG1 VAL A 121 45.480 2.040 -11.190 1.00 12.21 C ATOM 1815 CG2 VAL A 121 47.917 1.531 -10.992 1.00 14.97 C ATOM 0 H VAL A 121 48.078 -0.579 -12.653 1.00 13.10 H new ATOM 0 HA VAL A 121 46.344 -0.542 -10.507 1.00 12.97 H new ATOM 0 HB VAL A 121 46.758 1.413 -12.806 1.00 13.08 H new ATOM 0 HG11 VAL A 121 45.711 3.098 -11.318 1.00 12.21 H new ATOM 0 HG12 VAL A 121 44.561 1.801 -11.725 1.00 12.21 H new ATOM 0 HG13 VAL A 121 45.349 1.823 -10.130 1.00 12.21 H new ATOM 0 HG21 VAL A 121 48.149 2.588 -11.119 1.00 14.97 H new ATOM 0 HG22 VAL A 121 47.786 1.313 -9.932 1.00 14.97 H new ATOM 0 HG23 VAL A 121 48.736 0.930 -11.387 1.00 14.97 H new ATOM 1825 N ASP A 122 44.739 -0.490 -13.407 1.00 13.33 N ATOM 1826 CA ASP A 122 43.441 -0.740 -14.023 1.00 13.39 C ATOM 1827 C ASP A 122 42.908 -2.108 -13.611 1.00 12.24 C ATOM 1828 O ASP A 122 41.710 -2.275 -13.382 1.00 11.31 O ATOM 1829 CB ASP A 122 43.565 -0.677 -15.547 1.00 14.42 C ATOM 1830 CG ASP A 122 43.865 0.752 -15.986 1.00 16.19 C ATOM 1831 OD1 ASP A 122 43.896 0.989 -17.183 1.00 20.12 O ATOM 1832 OD2 ASP A 122 44.058 1.589 -15.120 1.00 19.51 O ATOM 0 H ASP A 122 45.484 -0.254 -14.063 1.00 13.33 H new ATOM 0 HA ASP A 122 42.745 0.027 -13.683 1.00 13.39 H new ATOM 0 HB2 ASP A 122 44.359 -1.344 -15.884 1.00 14.42 H new ATOM 0 HB3 ASP A 122 42.641 -1.022 -16.010 1.00 14.42 H new ATOM 1837 N GLU A 123 43.805 -3.084 -13.518 1.00 11.13 N ATOM 1838 CA GLU A 123 43.414 -4.435 -13.132 1.00 10.29 C ATOM 1839 C GLU A 123 43.027 -4.480 -11.657 1.00 8.90 C ATOM 1840 O GLU A 123 41.968 -4.993 -11.299 1.00 7.96 O ATOM 1841 CB GLU A 123 44.566 -5.407 -13.390 1.00 10.26 C ATOM 1842 CG GLU A 123 44.594 -5.784 -14.872 1.00 12.28 C ATOM 1843 CD GLU A 123 45.980 -6.293 -15.255 1.00 13.69 C ATOM 1844 OE1 GLU A 123 46.592 -6.959 -14.436 1.00 14.38 O ATOM 1845 OE2 GLU A 123 46.409 -6.008 -16.361 1.00 15.72 O ATOM 0 H GLU A 123 44.801 -2.966 -13.703 1.00 11.13 H new ATOM 0 HA GLU A 123 42.552 -4.728 -13.731 1.00 10.29 H new ATOM 0 HB2 GLU A 123 45.513 -4.950 -13.102 1.00 10.26 H new ATOM 0 HB3 GLU A 123 44.445 -6.301 -12.779 1.00 10.26 H new ATOM 0 HG2 GLU A 123 43.847 -6.551 -15.075 1.00 12.28 H new ATOM 0 HG3 GLU A 123 44.335 -4.918 -15.481 1.00 12.28 H new ATOM 1852 N MET A 124 43.894 -3.939 -10.807 0.50 8.41 N ATOM 1853 CA MET A 124 43.633 -3.924 -9.372 0.50 7.66 C ATOM 1854 C MET A 124 42.262 -3.320 -9.083 0.50 7.37 C ATOM 1855 O MET A 124 41.386 -3.983 -8.527 0.50 7.04 O ATOM 1856 CB MET A 124 44.712 -3.112 -8.653 0.50 7.67 C ATOM 1857 CG MET A 124 45.166 -3.862 -7.400 0.50 7.34 C ATOM 1858 SD MET A 124 45.835 -2.684 -6.200 0.50 9.25 S ATOM 1859 CE MET A 124 45.675 -3.735 -4.736 0.50 9.75 C ATOM 0 H MET A 124 44.776 -3.509 -11.084 0.50 8.41 H new ATOM 0 HA MET A 124 43.649 -4.951 -9.008 0.50 7.66 H new ATOM 0 HB2 MET A 124 45.560 -2.946 -9.317 0.50 7.67 H new ATOM 0 HB3 MET A 124 44.323 -2.131 -8.381 0.50 7.67 H new ATOM 0 HG2 MET A 124 44.327 -4.404 -6.964 0.50 7.34 H new ATOM 0 HG3 MET A 124 45.923 -4.602 -7.660 0.50 7.34 H new ATOM 0 HE1 MET A 124 46.037 -3.197 -3.860 0.50 9.75 H new ATOM 0 HE2 MET A 124 44.628 -4.000 -4.591 0.50 9.75 H new ATOM 0 HE3 MET A 124 46.264 -4.642 -4.873 0.50 9.75 H new ATOM 1869 N ILE A 125 42.084 -2.060 -9.466 1.00 7.50 N ATOM 1870 CA ILE A 125 40.815 -1.376 -9.243 1.00 8.03 C ATOM 1871 C ILE A 125 39.665 -2.164 -9.862 1.00 8.46 C ATOM 1872 O ILE A 125 38.591 -2.281 -9.271 1.00 9.97 O ATOM 1873 CB ILE A 125 40.863 0.024 -9.855 1.00 9.03 C ATOM 1874 CG1 ILE A 125 39.863 0.930 -9.132 1.00 8.72 C ATOM 1875 CG2 ILE A 125 40.499 -0.053 -11.338 1.00 8.18 C ATOM 1876 CD1 ILE A 125 40.106 2.385 -9.539 1.00 11.99 C ATOM 0 H ILE A 125 42.796 -1.495 -9.929 1.00 7.50 H new ATOM 0 HA ILE A 125 40.650 -1.298 -8.168 1.00 8.03 H new ATOM 0 HB ILE A 125 41.868 0.432 -9.749 1.00 9.03 H new ATOM 0 HG12 ILE A 125 38.843 0.637 -9.382 1.00 8.72 H new ATOM 0 HG13 ILE A 125 39.971 0.820 -8.053 1.00 8.72 H new ATOM 0 HG21 ILE A 125 40.533 0.946 -11.773 1.00 8.18 H new ATOM 0 HG22 ILE A 125 41.210 -0.699 -11.854 1.00 8.18 H new ATOM 0 HG23 ILE A 125 39.494 -0.461 -11.445 1.00 8.18 H new ATOM 0 HD11 ILE A 125 39.394 3.030 -9.024 1.00 11.99 H new ATOM 0 HD12 ILE A 125 41.121 2.674 -9.267 1.00 11.99 H new ATOM 0 HD13 ILE A 125 39.976 2.488 -10.616 1.00 11.99 H new ATOM 1888 N ARG A 126 39.897 -2.701 -11.055 1.00 10.35 N ATOM 1889 CA ARG A 126 38.872 -3.476 -11.745 1.00 12.29 C ATOM 1890 C ARG A 126 38.799 -4.891 -11.181 1.00 12.05 C ATOM 1891 O ARG A 126 37.800 -5.589 -11.357 1.00 12.18 O ATOM 1892 CB ARG A 126 39.184 -3.537 -13.242 1.00 13.33 C ATOM 1893 CG ARG A 126 38.113 -4.366 -13.953 1.00 16.87 C ATOM 1894 CD ARG A 126 38.633 -5.787 -14.179 1.00 19.79 C ATOM 1895 NE ARG A 126 39.870 -5.755 -14.949 1.00 23.64 N ATOM 1896 CZ ARG A 126 40.547 -6.869 -15.208 1.00 25.37 C ATOM 1897 NH1 ARG A 126 41.652 -6.815 -15.900 1.00 25.82 N ATOM 1898 NH2 ARG A 126 40.107 -8.017 -14.770 1.00 27.23 N ATOM 0 H ARG A 126 40.778 -2.615 -11.561 1.00 10.35 H new ATOM 0 HA ARG A 126 37.910 -2.987 -11.593 1.00 12.29 H new ATOM 0 HB2 ARG A 126 39.216 -2.530 -13.659 1.00 13.33 H new ATOM 0 HB3 ARG A 126 40.167 -3.980 -13.402 1.00 13.33 H new ATOM 0 HG2 ARG A 126 37.202 -4.392 -13.355 1.00 16.87 H new ATOM 0 HG3 ARG A 126 37.856 -3.906 -14.907 1.00 16.87 H new ATOM 0 HD2 ARG A 126 38.806 -6.275 -13.220 1.00 19.79 H new ATOM 0 HD3 ARG A 126 37.883 -6.377 -14.706 1.00 19.79 H new ATOM 0 HE ARG A 126 40.222 -4.862 -15.295 1.00 23.64 H new ATOM 0 HH11 ARG A 126 41.996 -5.918 -16.242 1.00 25.82 H new ATOM 0 HH12 ARG A 126 42.172 -7.670 -16.099 1.00 25.82 H new ATOM 0 HH21 ARG A 126 39.243 -8.059 -14.229 1.00 27.23 H new ATOM 0 HH22 ARG A 126 40.627 -8.872 -14.969 1.00 27.23 H new ATOM 1912 N GLU A 127 39.862 -5.309 -10.503 1.00 11.23 N ATOM 1913 CA GLU A 127 39.907 -6.644 -9.918 1.00 11.00 C ATOM 1914 C GLU A 127 39.246 -6.649 -8.543 1.00 10.05 C ATOM 1915 O GLU A 127 38.858 -7.701 -8.035 1.00 10.87 O ATOM 1916 CB GLU A 127 41.358 -7.110 -9.790 1.00 10.54 C ATOM 1917 CG GLU A 127 41.839 -7.659 -11.135 1.00 12.15 C ATOM 1918 CD GLU A 127 41.383 -9.104 -11.301 1.00 14.58 C ATOM 1919 OE1 GLU A 127 40.321 -9.431 -10.798 1.00 15.50 O ATOM 1920 OE2 GLU A 127 42.102 -9.863 -11.930 1.00 12.21 O ATOM 0 H GLU A 127 40.699 -4.747 -10.345 1.00 11.23 H new ATOM 0 HA GLU A 127 39.364 -7.325 -10.573 1.00 11.00 H new ATOM 0 HB2 GLU A 127 41.991 -6.280 -9.477 1.00 10.54 H new ATOM 0 HB3 GLU A 127 41.438 -7.879 -9.022 1.00 10.54 H new ATOM 0 HG2 GLU A 127 41.445 -7.049 -11.948 1.00 12.15 H new ATOM 0 HG3 GLU A 127 42.926 -7.603 -11.192 1.00 12.15 H new ATOM 1927 N ALA A 128 39.121 -5.468 -7.947 1.00 9.88 N ATOM 1928 CA ALA A 128 38.504 -5.349 -6.631 1.00 9.79 C ATOM 1929 C ALA A 128 37.057 -4.881 -6.757 1.00 9.77 C ATOM 1930 O ALA A 128 36.207 -5.232 -5.938 1.00 9.01 O ATOM 1931 CB ALA A 128 39.290 -4.357 -5.772 1.00 10.50 C ATOM 0 H ALA A 128 39.436 -4.586 -8.351 1.00 9.88 H new ATOM 0 HA ALA A 128 38.517 -6.330 -6.156 1.00 9.79 H new ATOM 0 HB1 ALA A 128 38.822 -4.275 -4.791 1.00 10.50 H new ATOM 0 HB2 ALA A 128 40.315 -4.708 -5.656 1.00 10.50 H new ATOM 0 HB3 ALA A 128 39.294 -3.380 -6.256 1.00 10.50 H new ATOM 1937 N ASP A 129 36.786 -4.086 -7.787 1.00 9.64 N ATOM 1938 CA ASP A 129 35.439 -3.573 -8.011 1.00 9.00 C ATOM 1939 C ASP A 129 34.457 -4.720 -8.228 1.00 8.76 C ATOM 1940 O ASP A 129 34.307 -5.220 -9.343 1.00 10.86 O ATOM 1941 CB ASP A 129 35.429 -2.651 -9.231 1.00 7.85 C ATOM 1942 CG ASP A 129 34.016 -2.134 -9.482 1.00 9.69 C ATOM 1943 OD1 ASP A 129 33.892 -1.039 -10.006 1.00 9.05 O ATOM 1944 OD2 ASP A 129 33.080 -2.840 -9.145 1.00 6.85 O ATOM 0 H ASP A 129 37.476 -3.785 -8.475 1.00 9.64 H new ATOM 0 HA ASP A 129 35.133 -3.011 -7.129 1.00 9.00 H new ATOM 0 HB2 ASP A 129 36.108 -1.814 -9.070 1.00 7.85 H new ATOM 0 HB3 ASP A 129 35.789 -3.190 -10.107 1.00 7.85 H new ATOM 1949 N ILE A 130 33.796 -5.135 -7.153 1.00 7.88 N ATOM 1950 CA ILE A 130 32.834 -6.229 -7.234 1.00 5.73 C ATOM 1951 C ILE A 130 31.872 -6.017 -8.399 1.00 5.05 C ATOM 1952 O ILE A 130 31.289 -6.971 -8.914 1.00 5.02 O ATOM 1953 CB ILE A 130 32.042 -6.324 -5.929 1.00 6.80 C ATOM 1954 CG1 ILE A 130 32.120 -4.987 -5.187 1.00 8.06 C ATOM 1955 CG2 ILE A 130 32.633 -7.430 -5.052 1.00 4.19 C ATOM 1956 CD1 ILE A 130 33.396 -4.941 -4.344 1.00 12.26 C ATOM 0 H ILE A 130 33.907 -4.734 -6.222 1.00 7.88 H new ATOM 0 HA ILE A 130 33.383 -7.157 -7.397 1.00 5.73 H new ATOM 0 HB ILE A 130 31.001 -6.556 -6.152 1.00 6.80 H new ATOM 0 HG12 ILE A 130 32.114 -4.163 -5.900 1.00 8.06 H new ATOM 0 HG13 ILE A 130 31.246 -4.863 -4.548 1.00 8.06 H new ATOM 0 HG21 ILE A 130 32.069 -7.498 -4.122 1.00 4.19 H new ATOM 0 HG22 ILE A 130 32.578 -8.382 -5.580 1.00 4.19 H new ATOM 0 HG23 ILE A 130 33.675 -7.199 -4.828 1.00 4.19 H new ATOM 0 HD11 ILE A 130 33.450 -3.989 -3.817 1.00 12.26 H new ATOM 0 HD12 ILE A 130 33.384 -5.756 -3.620 1.00 12.26 H new ATOM 0 HD13 ILE A 130 34.265 -5.046 -4.993 1.00 12.26 H new ATOM 1968 N ASP A 131 31.709 -4.764 -8.810 1.00 3.37 N ATOM 1969 CA ASP A 131 30.813 -4.447 -9.917 1.00 3.41 C ATOM 1970 C ASP A 131 31.597 -4.304 -11.218 1.00 3.42 C ATOM 1971 O ASP A 131 31.028 -4.368 -12.307 1.00 5.27 O ATOM 1972 CB ASP A 131 30.063 -3.145 -9.625 1.00 3.12 C ATOM 1973 CG ASP A 131 30.224 -2.768 -8.157 1.00 5.63 C ATOM 1974 OD1 ASP A 131 29.729 -3.504 -7.319 1.00 7.79 O ATOM 1975 OD2 ASP A 131 30.840 -1.749 -7.891 1.00 5.83 O ATOM 0 H ASP A 131 32.180 -3.958 -8.398 1.00 3.37 H new ATOM 0 HA ASP A 131 30.098 -5.262 -10.025 1.00 3.41 H new ATOM 0 HB2 ASP A 131 30.446 -2.345 -10.258 1.00 3.12 H new ATOM 0 HB3 ASP A 131 29.006 -3.263 -9.865 1.00 3.12 H new ATOM 1980 N GLY A 132 32.906 -4.110 -11.096 1.00 3.22 N ATOM 1981 CA GLY A 132 33.758 -3.958 -12.270 1.00 3.08 C ATOM 1982 C GLY A 132 33.354 -2.729 -13.078 1.00 3.63 C ATOM 1983 O GLY A 132 33.066 -2.826 -14.271 1.00 3.93 O ATOM 0 H GLY A 132 33.397 -4.055 -10.204 1.00 3.22 H new ATOM 0 HA2 GLY A 132 34.799 -3.869 -11.960 1.00 3.08 H new ATOM 0 HA3 GLY A 132 33.687 -4.849 -12.894 1.00 3.08 H new ATOM 1987 N ASP A 133 33.334 -1.575 -12.419 1.00 3.43 N ATOM 1988 CA ASP A 133 32.962 -0.332 -13.086 1.00 4.62 C ATOM 1989 C ASP A 133 34.204 0.480 -13.442 1.00 4.97 C ATOM 1990 O ASP A 133 34.105 1.642 -13.834 1.00 5.60 O ATOM 1991 CB ASP A 133 32.055 0.496 -12.174 1.00 4.81 C ATOM 1992 CG ASP A 133 31.184 1.427 -13.011 1.00 6.31 C ATOM 1993 OD1 ASP A 133 30.497 2.248 -12.425 1.00 9.56 O ATOM 1994 OD2 ASP A 133 31.216 1.306 -14.224 1.00 5.38 O ATOM 0 H ASP A 133 33.569 -1.474 -11.432 1.00 3.43 H new ATOM 0 HA ASP A 133 32.429 -0.580 -14.004 1.00 4.62 H new ATOM 0 HB2 ASP A 133 31.426 -0.164 -11.576 1.00 4.81 H new ATOM 0 HB3 ASP A 133 32.659 1.078 -11.478 1.00 4.81 H new ATOM 1999 N GLY A 134 35.371 -0.139 -13.301 1.00 5.35 N ATOM 2000 CA GLY A 134 36.625 0.538 -13.610 1.00 5.78 C ATOM 2001 C GLY A 134 36.949 1.589 -12.554 1.00 6.89 C ATOM 2002 O GLY A 134 38.004 2.222 -12.596 1.00 7.32 O ATOM 0 H GLY A 134 35.475 -1.101 -12.977 1.00 5.35 H new ATOM 0 HA2 GLY A 134 37.433 -0.191 -13.663 1.00 5.78 H new ATOM 0 HA3 GLY A 134 36.556 1.010 -14.590 1.00 5.78 H new ATOM 2006 N GLN A 135 36.034 1.769 -11.608 1.00 8.76 N ATOM 2007 CA GLN A 135 36.230 2.745 -10.542 1.00 10.22 C ATOM 2008 C GLN A 135 35.785 2.166 -9.203 1.00 10.54 C ATOM 2009 O GLN A 135 34.997 1.222 -9.156 1.00 9.45 O ATOM 2010 CB GLN A 135 35.432 4.015 -10.843 1.00 11.41 C ATOM 2011 CG GLN A 135 35.439 4.926 -9.614 1.00 15.22 C ATOM 2012 CD GLN A 135 34.310 4.534 -8.667 1.00 14.99 C ATOM 2013 OE1 GLN A 135 33.730 3.457 -8.803 1.00 22.05 O ATOM 2014 NE2 GLN A 135 33.961 5.349 -7.710 1.00 21.85 N ATOM 0 H GLN A 135 35.154 1.255 -11.557 1.00 8.76 H new ATOM 0 HA GLN A 135 37.291 2.990 -10.486 1.00 10.22 H new ATOM 0 HB2 GLN A 135 35.865 4.536 -11.697 1.00 11.41 H new ATOM 0 HB3 GLN A 135 34.408 3.758 -11.113 1.00 11.41 H new ATOM 0 HG2 GLN A 135 36.398 4.851 -9.101 1.00 15.22 H new ATOM 0 HG3 GLN A 135 35.323 5.965 -9.921 1.00 15.22 H new ATOM 0 HE21 GLN A 135 34.443 6.241 -7.599 1.00 21.85 H new ATOM 0 HE22 GLN A 135 33.206 5.094 -7.073 1.00 21.85 H new ATOM 2023 N VAL A 136 36.295 2.737 -8.116 1.00 10.23 N ATOM 2024 CA VAL A 136 35.940 2.265 -6.783 1.00 8.85 C ATOM 2025 C VAL A 136 35.031 3.269 -6.082 1.00 7.34 C ATOM 2026 O VAL A 136 35.293 4.471 -6.091 1.00 7.03 O ATOM 2027 CB VAL A 136 37.205 2.052 -5.951 1.00 7.54 C ATOM 2028 CG1 VAL A 136 36.839 2.017 -4.466 1.00 8.16 C ATOM 2029 CG2 VAL A 136 37.856 0.725 -6.346 1.00 10.34 C ATOM 0 H VAL A 136 36.949 3.520 -8.131 1.00 10.23 H new ATOM 0 HA VAL A 136 35.407 1.319 -6.883 1.00 8.85 H new ATOM 0 HB VAL A 136 37.903 2.869 -6.134 1.00 7.54 H new ATOM 0 HG11 VAL A 136 37.741 1.865 -3.873 1.00 8.16 H new ATOM 0 HG12 VAL A 136 36.373 2.961 -4.184 1.00 8.16 H new ATOM 0 HG13 VAL A 136 36.142 1.200 -4.282 1.00 8.16 H new ATOM 0 HG21 VAL A 136 38.758 0.572 -5.754 1.00 10.34 H new ATOM 0 HG22 VAL A 136 37.158 -0.092 -6.162 1.00 10.34 H new ATOM 0 HG23 VAL A 136 38.116 0.748 -7.404 1.00 10.34 H new ATOM 2039 N ASN A 137 33.967 2.764 -5.466 1.00 6.53 N ATOM 2040 CA ASN A 137 33.030 3.623 -4.751 1.00 7.00 C ATOM 2041 C ASN A 137 33.145 3.392 -3.249 1.00 7.22 C ATOM 2042 O ASN A 137 33.636 2.352 -2.810 1.00 10.52 O ATOM 2043 CB ASN A 137 31.599 3.332 -5.208 1.00 6.31 C ATOM 2044 CG ASN A 137 31.247 4.205 -6.408 1.00 7.74 C ATOM 2045 OD1 ASN A 137 31.702 5.345 -6.503 1.00 12.02 O ATOM 2046 ND2 ASN A 137 30.458 3.735 -7.336 1.00 9.78 N ATOM 0 H ASN A 137 33.733 1.771 -5.447 1.00 6.53 H new ATOM 0 HA ASN A 137 33.273 4.663 -4.971 1.00 7.00 H new ATOM 0 HB2 ASN A 137 31.500 2.279 -5.472 1.00 6.31 H new ATOM 0 HB3 ASN A 137 30.902 3.523 -4.392 1.00 6.31 H new ATOM 0 HD21 ASN A 137 30.218 4.313 -8.142 1.00 9.78 H new ATOM 0 HD22 ASN A 137 30.082 2.790 -7.255 1.00 9.78 H new ATOM 2053 N TYR A 138 32.690 4.361 -2.462 0.50 8.14 N ATOM 2054 CA TYR A 138 32.750 4.239 -1.011 0.50 7.95 C ATOM 2055 C TYR A 138 32.067 2.953 -0.557 0.50 8.75 C ATOM 2056 O TYR A 138 32.458 2.350 0.443 0.50 8.62 O ATOM 2057 CB TYR A 138 32.068 5.442 -0.354 0.50 7.85 C ATOM 2058 CG TYR A 138 33.115 6.383 0.192 0.50 6.95 C ATOM 2059 CD1 TYR A 138 33.992 5.950 1.194 0.50 6.52 C ATOM 2060 CD2 TYR A 138 33.208 7.690 -0.302 0.50 5.59 C ATOM 2061 CE1 TYR A 138 34.962 6.823 1.701 0.50 7.79 C ATOM 2062 CE2 TYR A 138 34.178 8.563 0.205 0.50 5.99 C ATOM 2063 CZ TYR A 138 35.055 8.129 1.206 0.50 6.26 C ATOM 2064 OH TYR A 138 36.011 8.990 1.706 0.50 6.33 O ATOM 0 H TYR A 138 32.280 5.231 -2.800 0.50 8.14 H new ATOM 0 HA TYR A 138 33.797 4.209 -0.710 0.50 7.95 H new ATOM 0 HB2 TYR A 138 31.443 5.960 -1.081 0.50 7.85 H new ATOM 0 HB3 TYR A 138 31.412 5.107 0.449 0.50 7.85 H new ATOM 0 HD1 TYR A 138 33.920 4.942 1.576 0.50 6.52 H new ATOM 0 HD2 TYR A 138 32.531 8.025 -1.074 0.50 5.59 H new ATOM 0 HE1 TYR A 138 35.638 6.489 2.474 0.50 7.79 H new ATOM 0 HE2 TYR A 138 34.250 9.571 -0.176 0.50 5.99 H new ATOM 0 HH TYR A 138 36.186 8.775 2.646 0.50 6.33 H new ATOM 2074 N GLU A 139 31.046 2.538 -1.300 1.00 9.07 N ATOM 2075 CA GLU A 139 30.316 1.320 -0.967 1.00 10.59 C ATOM 2076 C GLU A 139 31.215 0.098 -1.126 1.00 9.77 C ATOM 2077 O GLU A 139 31.206 -0.804 -0.289 1.00 11.13 O ATOM 2078 CB GLU A 139 29.093 1.179 -1.875 1.00 10.86 C ATOM 2079 CG GLU A 139 28.011 2.166 -1.432 1.00 14.67 C ATOM 2080 CD GLU A 139 26.972 2.329 -2.536 1.00 16.27 C ATOM 2081 OE1 GLU A 139 26.093 3.160 -2.377 1.00 22.33 O ATOM 2082 OE2 GLU A 139 27.070 1.621 -3.525 1.00 20.01 O ATOM 0 H GLU A 139 30.707 3.023 -2.131 1.00 9.07 H new ATOM 0 HA GLU A 139 29.990 1.385 0.071 1.00 10.59 H new ATOM 0 HB2 GLU A 139 29.372 1.370 -2.911 1.00 10.86 H new ATOM 0 HB3 GLU A 139 28.710 0.159 -1.831 1.00 10.86 H new ATOM 0 HG2 GLU A 139 27.532 1.809 -0.520 1.00 14.67 H new ATOM 0 HG3 GLU A 139 28.461 3.131 -1.199 1.00 14.67 H new ATOM 2089 N GLU A 140 31.991 0.078 -2.205 1.00 10.22 N ATOM 2090 CA GLU A 140 32.893 -1.038 -2.463 1.00 8.98 C ATOM 2091 C GLU A 140 33.949 -1.132 -1.366 1.00 8.77 C ATOM 2092 O GLU A 140 34.318 -2.225 -0.938 1.00 8.82 O ATOM 2093 CB GLU A 140 33.576 -0.854 -3.820 1.00 9.71 C ATOM 2094 CG GLU A 140 32.623 -1.288 -4.936 1.00 8.70 C ATOM 2095 CD GLU A 140 32.512 -0.187 -5.985 1.00 9.57 C ATOM 2096 OE1 GLU A 140 33.541 0.226 -6.493 1.00 13.45 O ATOM 2097 OE2 GLU A 140 31.399 0.226 -6.266 1.00 10.05 O ATOM 0 H GLU A 140 32.014 0.815 -2.909 1.00 10.22 H new ATOM 0 HA GLU A 140 32.311 -1.960 -2.473 1.00 8.98 H new ATOM 0 HB2 GLU A 140 33.861 0.189 -3.957 1.00 9.71 H new ATOM 0 HB3 GLU A 140 34.492 -1.443 -3.860 1.00 9.71 H new ATOM 0 HG2 GLU A 140 32.985 -2.206 -5.398 1.00 8.70 H new ATOM 0 HG3 GLU A 140 31.639 -1.506 -4.521 1.00 8.70 H new ATOM 2104 N PHE A 141 34.429 0.022 -0.915 1.00 7.84 N ATOM 2105 CA PHE A 141 35.440 0.060 0.135 1.00 6.81 C ATOM 2106 C PHE A 141 35.015 -0.812 1.312 1.00 7.49 C ATOM 2107 O PHE A 141 35.839 -1.492 1.924 1.00 8.25 O ATOM 2108 CB PHE A 141 35.646 1.501 0.610 1.00 7.47 C ATOM 2109 CG PHE A 141 37.117 1.843 0.577 1.00 5.76 C ATOM 2110 CD1 PHE A 141 37.784 1.944 -0.650 1.00 6.47 C ATOM 2111 CD2 PHE A 141 37.812 2.061 1.772 1.00 4.85 C ATOM 2112 CE1 PHE A 141 39.147 2.262 -0.681 1.00 2.00 C ATOM 2113 CE2 PHE A 141 39.176 2.378 1.741 1.00 4.27 C ATOM 2114 CZ PHE A 141 39.843 2.479 0.514 1.00 2.00 C ATOM 0 H PHE A 141 34.137 0.937 -1.257 1.00 7.84 H new ATOM 0 HA PHE A 141 36.377 -0.324 -0.270 1.00 6.81 H new ATOM 0 HB2 PHE A 141 35.089 2.187 -0.028 1.00 7.47 H new ATOM 0 HB3 PHE A 141 35.258 1.620 1.622 1.00 7.47 H new ATOM 0 HD1 PHE A 141 37.247 1.777 -1.572 1.00 6.47 H new ATOM 0 HD2 PHE A 141 37.297 1.985 2.718 1.00 4.85 H new ATOM 0 HE1 PHE A 141 39.662 2.340 -1.627 1.00 2.00 H new ATOM 0 HE2 PHE A 141 39.713 2.544 2.663 1.00 4.27 H new ATOM 0 HZ PHE A 141 40.894 2.724 0.490 1.00 2.00 H new ATOM 2124 N VAL A 142 33.723 -0.787 1.623 1.00 5.97 N ATOM 2125 CA VAL A 142 33.197 -1.580 2.728 1.00 6.53 C ATOM 2126 C VAL A 142 33.150 -3.057 2.350 1.00 5.16 C ATOM 2127 O VAL A 142 33.405 -3.928 3.181 1.00 5.28 O ATOM 2128 CB VAL A 142 31.792 -1.099 3.093 1.00 7.17 C ATOM 2129 CG1 VAL A 142 31.229 -1.972 4.215 1.00 10.15 C ATOM 2130 CG2 VAL A 142 31.859 0.355 3.566 1.00 7.96 C ATOM 0 H VAL A 142 33.025 -0.230 1.129 1.00 5.97 H new ATOM 0 HA VAL A 142 33.857 -1.457 3.587 1.00 6.53 H new ATOM 0 HB VAL A 142 31.146 -1.169 2.218 1.00 7.17 H new ATOM 0 HG11 VAL A 142 30.228 -1.629 4.475 1.00 10.15 H new ATOM 0 HG12 VAL A 142 31.182 -3.008 3.881 1.00 10.15 H new ATOM 0 HG13 VAL A 142 31.875 -1.902 5.090 1.00 10.15 H new ATOM 0 HG21 VAL A 142 30.858 0.699 3.827 1.00 7.96 H new ATOM 0 HG22 VAL A 142 32.506 0.424 4.441 1.00 7.96 H new ATOM 0 HG23 VAL A 142 32.261 0.979 2.768 1.00 7.96 H new ATOM 2140 N GLN A 143 32.822 -3.330 1.091 0.50 5.93 N ATOM 2141 CA GLN A 143 32.745 -4.706 0.614 0.50 5.91 C ATOM 2142 C GLN A 143 33.992 -5.483 1.022 0.50 5.69 C ATOM 2143 O GLN A 143 33.900 -6.535 1.655 0.50 5.40 O ATOM 2144 CB GLN A 143 32.606 -4.725 -0.909 0.50 5.96 C ATOM 2145 CG GLN A 143 31.312 -4.016 -1.313 0.50 6.79 C ATOM 2146 CD GLN A 143 30.107 -4.823 -0.843 0.50 8.07 C ATOM 2147 OE1 GLN A 143 29.533 -4.530 0.206 0.50 7.89 O ATOM 2148 NE2 GLN A 143 29.686 -5.828 -1.561 0.50 8.24 N ATOM 0 H GLN A 143 32.607 -2.623 0.388 0.50 5.93 H new ATOM 0 HA GLN A 143 31.871 -5.178 1.063 0.50 5.91 H new ATOM 0 HB2 GLN A 143 33.462 -4.232 -1.369 0.50 5.96 H new ATOM 0 HB3 GLN A 143 32.598 -5.753 -1.271 0.50 5.96 H new ATOM 0 HG2 GLN A 143 31.284 -3.017 -0.877 0.50 6.79 H new ATOM 0 HG3 GLN A 143 31.278 -3.893 -2.395 0.50 6.79 H new ATOM 0 HE21 GLN A 143 30.163 -6.069 -2.430 0.50 8.24 H new ATOM 0 HE22 GLN A 143 28.880 -6.372 -1.253 0.50 8.24 H new ATOM 2157 N MET A 144 35.156 -4.958 0.656 0.50 6.59 N ATOM 2158 CA MET A 144 36.416 -5.611 0.990 0.50 5.84 C ATOM 2159 C MET A 144 36.448 -5.981 2.470 0.50 6.04 C ATOM 2160 O MET A 144 36.814 -7.098 2.833 0.50 6.68 O ATOM 2161 CB MET A 144 37.588 -4.683 0.667 0.50 5.76 C ATOM 2162 CG MET A 144 38.874 -5.503 0.553 0.50 5.91 C ATOM 2163 SD MET A 144 40.293 -4.386 0.434 0.50 4.59 S ATOM 2164 CE MET A 144 40.475 -4.059 2.205 0.50 2.00 C ATOM 0 H MET A 144 35.253 -4.088 0.132 0.50 6.59 H new ATOM 0 HA MET A 144 36.502 -6.521 0.396 0.50 5.84 H new ATOM 0 HB2 MET A 144 37.399 -4.153 -0.266 0.50 5.76 H new ATOM 0 HB3 MET A 144 37.693 -3.929 1.447 0.50 5.76 H new ATOM 0 HG2 MET A 144 38.981 -6.153 1.421 0.50 5.91 H new ATOM 0 HG3 MET A 144 38.830 -6.148 -0.325 0.50 5.91 H new ATOM 0 HE1 MET A 144 40.625 -2.991 2.364 0.50 2.00 H new ATOM 0 HE2 MET A 144 39.575 -4.381 2.729 0.50 2.00 H new ATOM 0 HE3 MET A 144 41.334 -4.608 2.590 0.50 2.00 H new ATOM 2174 N MET A 145 36.061 -5.034 3.319 0.50 6.29 N ATOM 2175 CA MET A 145 36.047 -5.271 4.757 0.50 7.25 C ATOM 2176 C MET A 145 34.830 -6.102 5.150 0.50 7.30 C ATOM 2177 O MET A 145 34.743 -6.605 6.270 0.50 6.60 O ATOM 2178 CB MET A 145 36.020 -3.938 5.507 0.50 7.65 C ATOM 2179 CG MET A 145 35.792 -4.194 6.997 0.50 9.43 C ATOM 2180 SD MET A 145 36.375 -2.771 7.951 0.50 13.37 S ATOM 2181 CE MET A 145 38.089 -3.317 8.148 0.50 13.25 C ATOM 0 H MET A 145 35.755 -4.102 3.038 0.50 6.29 H new ATOM 0 HA MET A 145 36.950 -5.819 5.025 0.50 7.25 H new ATOM 0 HB2 MET A 145 36.960 -3.406 5.358 0.50 7.65 H new ATOM 0 HB3 MET A 145 35.228 -3.302 5.111 0.50 7.65 H new ATOM 0 HG2 MET A 145 34.733 -4.365 7.189 0.50 9.43 H new ATOM 0 HG3 MET A 145 36.322 -5.095 7.307 0.50 9.43 H new ATOM 0 HE1 MET A 145 38.644 -2.573 8.719 0.50 13.25 H new ATOM 0 HE2 MET A 145 38.109 -4.270 8.677 0.50 13.25 H new ATOM 0 HE3 MET A 145 38.548 -3.437 7.167 0.50 13.25 H new ATOM 2191 N THR A 146 33.891 -6.242 4.219 1.00 7.72 N ATOM 2192 CA THR A 146 32.682 -7.015 4.476 1.00 9.13 C ATOM 2193 C THR A 146 32.655 -8.271 3.612 1.00 10.78 C ATOM 2194 O THR A 146 31.677 -9.019 3.615 1.00 9.16 O ATOM 2195 CB THR A 146 31.445 -6.163 4.181 1.00 10.24 C ATOM 2196 OG1 THR A 146 31.488 -4.981 4.967 1.00 8.27 O ATOM 2197 CG2 THR A 146 30.183 -6.958 4.518 1.00 10.65 C ATOM 0 H THR A 146 33.944 -5.833 3.286 1.00 7.72 H new ATOM 0 HA THR A 146 32.678 -7.310 5.525 1.00 9.13 H new ATOM 0 HB THR A 146 31.431 -5.896 3.124 1.00 10.24 H new ATOM 0 HG1 THR A 146 32.225 -4.412 4.662 1.00 8.27 H new ATOM 0 HG21 THR A 146 29.303 -6.350 4.308 1.00 10.65 H new ATOM 0 HG22 THR A 146 30.151 -7.864 3.913 1.00 10.65 H new ATOM 0 HG23 THR A 146 30.194 -7.227 5.574 1.00 10.65 H new ATOM 2205 N ALA A 147 33.738 -8.498 2.875 1.00 12.23 N ATOM 2206 CA ALA A 147 33.830 -9.668 2.010 1.00 14.56 C ATOM 2207 C ALA A 147 34.782 -10.701 2.605 1.00 16.77 C ATOM 2208 O ALA A 147 36.000 -10.534 2.560 1.00 18.52 O ATOM 2209 CB ALA A 147 34.325 -9.256 0.622 1.00 15.29 C ATOM 0 H ALA A 147 34.558 -7.892 2.859 1.00 12.23 H new ATOM 0 HA ALA A 147 32.838 -10.111 1.924 1.00 14.56 H new ATOM 0 HB1 ALA A 147 34.391 -10.137 -0.017 1.00 15.29 H new ATOM 0 HB2 ALA A 147 33.628 -8.541 0.185 1.00 15.29 H new ATOM 0 HB3 ALA A 147 35.310 -8.796 0.708 1.00 15.29 H new ATOM 2215 N LYS A 148 34.219 -11.768 3.164 1.00 18.29 N ATOM 2216 CA LYS A 148 35.031 -12.819 3.765 1.00 19.47 C ATOM 2217 C LYS A 148 35.884 -13.509 2.705 1.00 20.05 C ATOM 2218 O LYS A 148 37.061 -13.710 2.958 1.00 20.38 O ATOM 2219 CB LYS A 148 34.130 -13.850 4.447 1.00 19.94 C ATOM 2220 CG LYS A 148 33.449 -13.212 5.659 1.00 19.92 C ATOM 2221 CD LYS A 148 32.469 -14.210 6.280 1.00 21.49 C ATOM 2222 CE LYS A 148 31.899 -13.629 7.575 1.00 21.36 C ATOM 2223 NZ LYS A 148 32.472 -14.359 8.741 1.00 23.42 N ATOM 2224 OXT LYS A 148 35.349 -13.826 1.656 1.00 20.68 O ATOM 0 H LYS A 148 33.213 -11.927 3.213 1.00 18.29 H new ATOM 0 HA LYS A 148 35.689 -12.365 4.506 1.00 19.47 H new ATOM 0 HB2 LYS A 148 33.380 -14.214 3.745 1.00 19.94 H new ATOM 0 HB3 LYS A 148 34.719 -14.712 4.760 1.00 19.94 H new ATOM 0 HG2 LYS A 148 34.197 -12.915 6.395 1.00 19.92 H new ATOM 0 HG3 LYS A 148 32.921 -12.307 5.358 1.00 19.92 H new ATOM 0 HD2 LYS A 148 31.662 -14.426 5.580 1.00 21.49 H new ATOM 0 HD3 LYS A 148 32.975 -15.153 6.484 1.00 21.49 H new ATOM 0 HE2 LYS A 148 32.136 -12.567 7.645 1.00 21.36 H new ATOM 0 HE3 LYS A 148 30.812 -13.714 7.577 1.00 21.36 H new ATOM 0 HZ1 LYS A 148 32.085 -13.964 9.622 1.00 23.42 H new ATOM 0 HZ2 LYS A 148 32.225 -15.367 8.675 1.00 23.42 H new ATOM 0 HZ3 LYS A 148 33.507 -14.256 8.741 1.00 23.42 H new TER 2238 LYS A 148 HETATM 2239 CA CA A 401 64.017 8.342 9.056 1.00 3.06 CA HETATM 2240 CA CA A 402 36.059 12.170 -8.340 1.00 3.06 CA HETATM 2241 CA CA A 403 31.469 1.405 -9.237 1.00 3.06 CA HETATM 2242 TB TB A 404 58.403 2.700 19.729 1.00 4.04 TB