USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 60 ASN : amide:sc= 0.756 K(o=1.6,f=-0.45) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.89 K(o=1.6,f=-0.11) USER MOD Set 2.1: A 55 THR OG1 : rot 143:sc= 1.35 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 1.04 USER MOD Set 3.1: A 22 THR OG1 : rot -61:sc= 0.462 USER MOD Set 3.2: A 25 ASN : amide:sc= 0.972 K(o=1.4,f=-4.1!) USER MOD Set 4.1: A 7 THR OG1 : rot -83:sc= 1.33 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.189) USER MOD Single : A 1 MET N :NH3+ 163:sc= 1.22 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 1.14 K(o=1.1,f=-0.42) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= 1.08 (180deg=-0.156!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0266 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 0.0726 (180deg=-0.608!) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 1.71 (180deg=1.08) USER MOD Single : A 31 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0887) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 41 GLN : amide:sc= 1.33 K(o=1.3,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.321 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 94:sc= 1.31 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.00041) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.883 52.294 19.490 1.00 0.00 N ATOM 2 CA MET A 1 33.174 52.595 20.901 1.00 0.00 C ATOM 3 C MET A 1 34.678 52.788 21.105 1.00 0.00 C ATOM 4 O MET A 1 35.475 52.309 20.301 1.00 0.00 O ATOM 5 CB MET A 1 32.637 51.520 21.839 1.00 0.00 C ATOM 6 CG MET A 1 33.369 50.185 21.732 1.00 0.00 C ATOM 7 SD MET A 1 32.688 48.876 22.779 1.00 0.00 S ATOM 8 CE MET A 1 33.942 47.595 22.534 1.00 0.00 C ATOM 0 H1 MET A 1 31.929 51.888 19.411 1.00 0.00 H new ATOM 0 H2 MET A 1 32.934 53.169 18.931 1.00 0.00 H new ATOM 0 H3 MET A 1 33.580 51.612 19.130 1.00 0.00 H new ATOM 0 HA MET A 1 32.661 53.524 21.150 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.706 51.880 22.866 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.580 51.362 21.627 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.345 49.853 20.694 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.416 50.336 21.994 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.585 46.652 22.948 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.134 47.473 21.468 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.863 47.887 23.038 1.00 0.00 H new ATOM 20 N GLN A 2 35.071 53.433 22.199 1.00 0.00 N ATOM 21 CA GLN A 2 36.457 53.610 22.583 1.00 0.00 C ATOM 22 C GLN A 2 36.888 52.623 23.670 1.00 0.00 C ATOM 23 O GLN A 2 36.125 52.339 24.591 1.00 0.00 O ATOM 24 CB GLN A 2 36.697 55.058 23.000 1.00 0.00 C ATOM 25 CG GLN A 2 36.633 55.992 21.795 1.00 0.00 C ATOM 26 CD GLN A 2 36.769 57.475 22.143 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.510 57.914 23.262 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.144 58.301 21.171 1.00 0.00 N ATOM 0 H GLN A 2 34.414 53.855 22.855 1.00 0.00 H new ATOM 0 HA GLN A 2 37.081 53.391 21.717 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.951 55.357 23.736 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.671 55.145 23.481 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.424 55.720 21.096 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.685 55.837 21.279 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.358 57.934 20.244 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.218 59.302 21.352 1.00 0.00 H new ATOM 37 N ILE A 3 38.126 52.144 23.583 1.00 0.00 N ATOM 38 CA ILE A 3 38.810 51.412 24.630 1.00 0.00 C ATOM 39 C ILE A 3 40.215 51.977 24.852 1.00 0.00 C ATOM 40 O ILE A 3 40.784 52.593 23.955 1.00 0.00 O ATOM 41 CB ILE A 3 38.840 49.908 24.379 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.620 49.530 23.122 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.426 49.334 24.374 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.850 48.031 22.948 1.00 0.00 C ATOM 0 H ILE A 3 38.697 52.263 22.746 1.00 0.00 H new ATOM 0 HA ILE A 3 38.235 51.550 25.546 1.00 0.00 H new ATOM 0 HB ILE A 3 39.385 49.455 25.207 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.085 49.906 22.250 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.587 50.033 23.144 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.470 48.260 24.193 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.954 49.521 25.339 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.843 49.811 23.586 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.411 47.853 22.031 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.414 47.648 23.798 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.889 47.520 22.891 1.00 0.00 H new ATOM 56 N PHE A 4 40.786 51.744 26.031 1.00 0.00 N ATOM 57 CA PHE A 4 42.059 52.295 26.448 1.00 0.00 C ATOM 58 C PHE A 4 43.119 51.215 26.674 1.00 0.00 C ATOM 59 O PHE A 4 42.807 50.122 27.140 1.00 0.00 O ATOM 60 CB PHE A 4 41.854 53.129 27.710 1.00 0.00 C ATOM 61 CG PHE A 4 40.676 54.073 27.676 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.623 55.097 26.723 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.615 53.908 28.574 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.508 55.941 26.657 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.507 54.763 28.521 1.00 0.00 C ATOM 66 CZ PHE A 4 38.447 55.775 27.555 1.00 0.00 C ATOM 0 H PHE A 4 40.357 51.148 26.739 1.00 0.00 H new ATOM 0 HA PHE A 4 42.434 52.928 25.644 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.732 52.453 28.556 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.758 53.709 27.893 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.445 55.236 26.036 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.651 53.119 29.310 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.466 56.722 25.912 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.698 54.642 29.226 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.586 56.425 27.503 1.00 0.00 H new ATOM 76 N VAL A 5 44.381 51.520 26.387 1.00 0.00 N ATOM 77 CA VAL A 5 45.512 50.630 26.566 1.00 0.00 C ATOM 78 C VAL A 5 46.648 51.340 27.303 1.00 0.00 C ATOM 79 O VAL A 5 47.001 52.466 26.956 1.00 0.00 O ATOM 80 CB VAL A 5 45.990 50.055 25.236 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.030 48.958 25.445 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.865 49.448 24.403 1.00 0.00 C ATOM 0 H VAL A 5 44.649 52.429 26.010 1.00 0.00 H new ATOM 0 HA VAL A 5 45.182 49.792 27.179 1.00 0.00 H new ATOM 0 HB VAL A 5 46.415 50.906 24.704 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.349 48.570 24.478 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.891 49.368 25.973 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.594 48.151 26.034 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.273 49.057 23.471 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.395 48.638 24.961 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.122 50.214 24.181 1.00 0.00 H new ATOM 92 N LYS A 6 47.231 50.680 28.299 1.00 0.00 N ATOM 93 CA LYS A 6 48.327 51.154 29.122 1.00 0.00 C ATOM 94 C LYS A 6 49.643 50.422 28.848 1.00 0.00 C ATOM 95 O LYS A 6 49.648 49.227 28.562 1.00 0.00 O ATOM 96 CB LYS A 6 47.929 51.050 30.592 1.00 0.00 C ATOM 97 CG LYS A 6 46.934 52.140 30.977 1.00 0.00 C ATOM 98 CD LYS A 6 46.518 52.013 32.439 1.00 0.00 C ATOM 99 CE LYS A 6 45.630 53.197 32.814 1.00 0.00 C ATOM 100 NZ LYS A 6 45.096 53.060 34.177 1.00 0.00 N ATOM 0 H LYS A 6 46.929 49.743 28.565 1.00 0.00 H new ATOM 0 HA LYS A 6 48.514 52.196 28.864 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.490 50.071 30.783 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.818 51.129 31.218 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.380 53.120 30.806 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.053 52.075 30.338 1.00 0.00 H new ATOM 0 HD2 LYS A 6 45.982 51.077 32.597 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.400 51.987 33.079 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.203 54.121 32.738 1.00 0.00 H new ATOM 0 HE3 LYS A 6 44.806 53.274 32.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 44.497 53.881 34.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 44.529 52.190 34.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 45.883 53.012 34.855 1.00 0.00 H new ATOM 114 N THR A 7 50.766 51.124 28.964 1.00 0.00 N ATOM 115 CA THR A 7 52.077 50.701 28.515 1.00 0.00 C ATOM 116 C THR A 7 53.180 50.877 29.560 1.00 0.00 C ATOM 117 O THR A 7 53.053 51.661 30.498 1.00 0.00 O ATOM 118 CB THR A 7 52.483 51.472 27.262 1.00 0.00 C ATOM 119 OG1 THR A 7 52.602 52.846 27.553 1.00 0.00 O ATOM 120 CG2 THR A 7 51.509 51.314 26.098 1.00 0.00 C ATOM 0 H THR A 7 50.781 52.048 29.396 1.00 0.00 H new ATOM 0 HA THR A 7 51.981 49.634 28.314 1.00 0.00 H new ATOM 0 HB THR A 7 53.438 51.046 26.954 1.00 0.00 H new ATOM 0 HG1 THR A 7 51.717 53.265 27.521 1.00 0.00 H new ATOM 0 HG21 THR A 7 51.865 51.891 25.245 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.440 50.262 25.822 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.525 51.676 26.395 1.00 0.00 H new ATOM 128 N LEU A 8 54.308 50.199 29.366 1.00 0.00 N ATOM 129 CA LEU A 8 55.496 50.238 30.196 1.00 0.00 C ATOM 130 C LEU A 8 56.172 51.609 30.282 1.00 0.00 C ATOM 131 O LEU A 8 57.070 51.805 31.098 1.00 0.00 O ATOM 132 CB LEU A 8 56.434 49.177 29.631 1.00 0.00 C ATOM 133 CG LEU A 8 57.726 48.890 30.392 1.00 0.00 C ATOM 134 CD1 LEU A 8 57.479 48.411 31.820 1.00 0.00 C ATOM 135 CD2 LEU A 8 58.528 47.825 29.651 1.00 0.00 C ATOM 0 H LEU A 8 54.418 49.569 28.572 1.00 0.00 H new ATOM 0 HA LEU A 8 55.219 50.036 31.231 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.876 48.244 29.554 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.702 49.473 28.617 1.00 0.00 H new ATOM 0 HG LEU A 8 58.276 49.830 30.448 1.00 0.00 H new ATOM 0 HD11 LEU A 8 58.434 48.223 32.311 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.932 49.176 32.371 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.894 47.491 31.799 1.00 0.00 H new ATOM 0 HD21 LEU A 8 59.450 47.620 30.195 1.00 0.00 H new ATOM 0 HD22 LEU A 8 57.939 46.911 29.579 1.00 0.00 H new ATOM 0 HD23 LEU A 8 58.769 48.182 28.650 1.00 0.00 H new ATOM 147 N THR A 9 55.772 52.572 29.456 1.00 0.00 N ATOM 148 CA THR A 9 56.332 53.908 29.401 1.00 0.00 C ATOM 149 C THR A 9 55.397 54.986 29.955 1.00 0.00 C ATOM 150 O THR A 9 55.722 56.169 29.883 1.00 0.00 O ATOM 151 CB THR A 9 56.734 54.266 27.973 1.00 0.00 C ATOM 152 OG1 THR A 9 55.585 54.351 27.159 1.00 0.00 O ATOM 153 CG2 THR A 9 57.686 53.259 27.335 1.00 0.00 C ATOM 0 H THR A 9 55.019 52.432 28.782 1.00 0.00 H new ATOM 0 HA THR A 9 57.212 53.887 30.044 1.00 0.00 H new ATOM 0 HB THR A 9 57.254 55.222 28.041 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.849 54.583 26.244 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.928 53.579 26.321 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.601 53.199 27.925 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.210 52.279 27.302 1.00 0.00 H new ATOM 161 N GLY A 10 54.220 54.626 30.460 1.00 0.00 N ATOM 162 CA GLY A 10 53.216 55.579 30.887 1.00 0.00 C ATOM 163 C GLY A 10 52.571 56.356 29.738 1.00 0.00 C ATOM 164 O GLY A 10 52.171 57.505 29.912 1.00 0.00 O ATOM 0 H GLY A 10 53.940 53.653 30.583 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.438 55.050 31.437 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.672 56.286 31.580 1.00 0.00 H new ATOM 168 N LYS A 11 52.531 55.768 28.547 1.00 0.00 N ATOM 169 CA LYS A 11 51.760 56.253 27.420 1.00 0.00 C ATOM 170 C LYS A 11 50.397 55.556 27.410 1.00 0.00 C ATOM 171 O LYS A 11 50.338 54.345 27.209 1.00 0.00 O ATOM 172 CB LYS A 11 52.538 56.035 26.126 1.00 0.00 C ATOM 173 CG LYS A 11 51.870 56.691 24.921 1.00 0.00 C ATOM 174 CD LYS A 11 52.617 56.392 23.624 1.00 0.00 C ATOM 175 CE LYS A 11 52.042 57.234 22.489 1.00 0.00 C ATOM 176 NZ LYS A 11 52.760 57.016 21.224 1.00 0.00 N ATOM 0 H LYS A 11 53.051 54.916 28.339 1.00 0.00 H new ATOM 0 HA LYS A 11 51.586 57.325 27.509 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.545 56.435 26.241 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.639 54.965 25.943 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.842 56.337 24.838 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.824 57.769 25.073 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.678 56.608 23.747 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.533 55.333 23.381 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.988 56.990 22.355 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.093 58.289 22.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.949 57.932 20.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.661 56.532 21.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.179 56.429 20.592 1.00 0.00 H new ATOM 190 N THR A 12 49.324 56.320 27.595 1.00 0.00 N ATOM 191 CA THR A 12 47.968 55.847 27.398 1.00 0.00 C ATOM 192 C THR A 12 47.660 55.897 25.900 1.00 0.00 C ATOM 193 O THR A 12 47.984 56.877 25.232 1.00 0.00 O ATOM 194 CB THR A 12 46.959 56.691 28.171 1.00 0.00 C ATOM 195 OG1 THR A 12 47.390 56.946 29.489 1.00 0.00 O ATOM 196 CG2 THR A 12 45.599 56.006 28.275 1.00 0.00 C ATOM 0 H THR A 12 49.378 57.295 27.889 1.00 0.00 H new ATOM 0 HA THR A 12 47.887 54.827 27.774 1.00 0.00 H new ATOM 0 HB THR A 12 46.873 57.621 27.609 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.720 57.490 29.953 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.913 56.643 28.833 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.201 55.833 27.275 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.710 55.053 28.791 1.00 0.00 H new ATOM 204 N ILE A 13 47.030 54.859 25.357 1.00 0.00 N ATOM 205 CA ILE A 13 46.647 54.754 23.964 1.00 0.00 C ATOM 206 C ILE A 13 45.136 54.519 23.898 1.00 0.00 C ATOM 207 O ILE A 13 44.606 53.736 24.683 1.00 0.00 O ATOM 208 CB ILE A 13 47.458 53.671 23.259 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.943 54.023 23.255 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.953 53.431 21.839 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.860 52.904 22.771 1.00 0.00 C ATOM 0 H ILE A 13 46.765 54.039 25.902 1.00 0.00 H new ATOM 0 HA ILE A 13 46.870 55.678 23.431 1.00 0.00 H new ATOM 0 HB ILE A 13 47.327 52.744 23.817 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.094 54.898 22.622 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.239 54.306 24.265 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.553 52.654 21.366 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.910 53.115 21.872 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.034 54.353 21.263 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.895 53.243 22.802 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.744 52.033 23.417 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.597 52.635 21.748 1.00 0.00 H new ATOM 223 N THR A 14 44.445 55.175 22.971 1.00 0.00 N ATOM 224 CA THR A 14 43.013 55.065 22.782 1.00 0.00 C ATOM 225 C THR A 14 42.711 54.456 21.411 1.00 0.00 C ATOM 226 O THR A 14 43.313 54.875 20.426 1.00 0.00 O ATOM 227 CB THR A 14 42.318 56.417 22.913 1.00 0.00 C ATOM 228 OG1 THR A 14 42.727 57.053 24.104 1.00 0.00 O ATOM 229 CG2 THR A 14 40.797 56.315 22.959 1.00 0.00 C ATOM 0 H THR A 14 44.886 55.817 22.312 1.00 0.00 H new ATOM 0 HA THR A 14 42.626 54.414 23.566 1.00 0.00 H new ATOM 0 HB THR A 14 42.602 56.982 22.025 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.279 57.921 24.182 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.368 57.313 23.053 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.436 55.849 22.042 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.499 55.710 23.815 1.00 0.00 H new ATOM 237 N LEU A 15 41.800 53.489 21.341 1.00 0.00 N ATOM 238 CA LEU A 15 41.461 52.779 20.125 1.00 0.00 C ATOM 239 C LEU A 15 39.969 52.888 19.802 1.00 0.00 C ATOM 240 O LEU A 15 39.135 52.679 20.680 1.00 0.00 O ATOM 241 CB LEU A 15 41.883 51.317 20.240 1.00 0.00 C ATOM 242 CG LEU A 15 43.354 51.064 20.558 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.570 49.565 20.742 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.311 51.541 19.468 1.00 0.00 C ATOM 0 H LEU A 15 41.268 53.175 22.152 1.00 0.00 H new ATOM 0 HA LEU A 15 42.004 53.243 19.302 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.279 50.846 21.015 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.644 50.817 19.302 1.00 0.00 H new ATOM 0 HG LEU A 15 43.574 51.632 21.462 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.619 49.374 20.970 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.949 49.206 21.563 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.297 49.043 19.825 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.337 51.327 19.766 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.088 51.022 18.536 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.192 52.615 19.323 1.00 0.00 H new ATOM 256 N GLU A 16 39.648 53.149 18.538 1.00 0.00 N ATOM 257 CA GLU A 16 38.303 53.078 18.001 1.00 0.00 C ATOM 258 C GLU A 16 37.998 51.642 17.570 1.00 0.00 C ATOM 259 O GLU A 16 38.680 51.096 16.706 1.00 0.00 O ATOM 260 CB GLU A 16 38.144 54.018 16.810 1.00 0.00 C ATOM 261 CG GLU A 16 38.405 55.500 17.061 1.00 0.00 C ATOM 262 CD GLU A 16 37.372 56.185 17.958 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.165 55.879 17.850 1.00 0.00 O ATOM 264 OE2 GLU A 16 37.766 57.093 18.721 1.00 0.00 O ATOM 0 H GLU A 16 40.342 53.424 17.842 1.00 0.00 H new ATOM 0 HA GLU A 16 37.603 53.385 18.778 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.818 53.684 16.021 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.129 53.912 16.428 1.00 0.00 H new ATOM 0 HG2 GLU A 16 39.390 55.610 17.514 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.435 56.018 16.102 1.00 0.00 H new ATOM 271 N VAL A 17 37.003 51.005 18.181 1.00 0.00 N ATOM 272 CA VAL A 17 36.669 49.609 17.987 1.00 0.00 C ATOM 273 C VAL A 17 35.160 49.364 17.943 1.00 0.00 C ATOM 274 O VAL A 17 34.365 50.152 18.451 1.00 0.00 O ATOM 275 CB VAL A 17 37.298 48.723 19.059 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.823 48.741 19.011 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.848 49.079 20.474 1.00 0.00 C ATOM 0 H VAL A 17 36.388 51.470 18.849 1.00 0.00 H new ATOM 0 HA VAL A 17 37.083 49.340 17.015 1.00 0.00 H new ATOM 0 HB VAL A 17 36.942 47.720 18.824 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.219 48.095 19.794 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.161 48.382 18.039 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.180 49.759 19.166 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.331 48.412 21.188 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.125 50.110 20.695 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.766 48.970 20.550 1.00 0.00 H new ATOM 287 N GLU A 18 34.767 48.219 17.393 1.00 0.00 N ATOM 288 CA GLU A 18 33.477 47.610 17.645 1.00 0.00 C ATOM 289 C GLU A 18 33.625 46.452 18.634 1.00 0.00 C ATOM 290 O GLU A 18 34.668 45.803 18.628 1.00 0.00 O ATOM 291 CB GLU A 18 32.892 47.094 16.333 1.00 0.00 C ATOM 292 CG GLU A 18 32.382 48.181 15.390 1.00 0.00 C ATOM 293 CD GLU A 18 31.034 48.731 15.862 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.997 48.095 15.576 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.011 49.797 16.516 1.00 0.00 O ATOM 0 H GLU A 18 35.350 47.684 16.750 1.00 0.00 H new ATOM 0 HA GLU A 18 32.808 48.357 18.074 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.654 46.512 15.815 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.071 46.414 16.560 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.110 48.991 15.336 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.281 47.775 14.383 1.00 0.00 H new ATOM 302 N PRO A 19 32.615 46.093 19.421 1.00 0.00 N ATOM 303 CA PRO A 19 32.626 44.876 20.209 1.00 0.00 C ATOM 304 C PRO A 19 32.898 43.613 19.389 1.00 0.00 C ATOM 305 O PRO A 19 33.478 42.651 19.888 1.00 0.00 O ATOM 306 CB PRO A 19 31.251 44.783 20.863 1.00 0.00 C ATOM 307 CG PRO A 19 30.761 46.228 20.900 1.00 0.00 C ATOM 308 CD PRO A 19 31.393 46.836 19.651 1.00 0.00 C ATOM 0 HA PRO A 19 33.439 44.928 20.933 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.578 44.148 20.288 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.313 44.357 21.864 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.673 46.286 20.871 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.084 46.741 21.806 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.722 46.757 18.796 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.602 47.896 19.796 1.00 0.00 H new ATOM 316 N SER A 20 32.510 43.628 18.117 1.00 0.00 N ATOM 317 CA SER A 20 32.735 42.582 17.139 1.00 0.00 C ATOM 318 C SER A 20 34.150 42.530 16.560 1.00 0.00 C ATOM 319 O SER A 20 34.435 41.614 15.791 1.00 0.00 O ATOM 320 CB SER A 20 31.693 42.723 16.034 1.00 0.00 C ATOM 321 OG SER A 20 31.649 44.038 15.529 1.00 0.00 O ATOM 0 H SER A 20 32.001 44.420 17.724 1.00 0.00 H new ATOM 0 HA SER A 20 32.629 41.631 17.661 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.923 42.029 15.225 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.712 42.448 16.421 1.00 0.00 H new ATOM 0 HG SER A 20 30.973 44.094 14.822 1.00 0.00 H new ATOM 327 N ASP A 21 35.046 43.454 16.891 1.00 0.00 N ATOM 328 CA ASP A 21 36.438 43.365 16.496 1.00 0.00 C ATOM 329 C ASP A 21 37.187 42.314 17.317 1.00 0.00 C ATOM 330 O ASP A 21 36.867 42.064 18.478 1.00 0.00 O ATOM 331 CB ASP A 21 37.137 44.719 16.574 1.00 0.00 C ATOM 332 CG ASP A 21 36.755 45.683 15.449 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.891 46.911 15.640 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.412 45.230 14.336 1.00 0.00 O ATOM 0 H ASP A 21 34.823 44.284 17.441 1.00 0.00 H new ATOM 0 HA ASP A 21 36.453 43.048 15.453 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.902 45.183 17.532 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.215 44.561 16.553 1.00 0.00 H new ATOM 339 N THR A 22 38.205 41.695 16.729 1.00 0.00 N ATOM 340 CA THR A 22 39.036 40.695 17.371 1.00 0.00 C ATOM 341 C THR A 22 40.332 41.279 17.937 1.00 0.00 C ATOM 342 O THR A 22 40.775 42.350 17.529 1.00 0.00 O ATOM 343 CB THR A 22 39.366 39.522 16.451 1.00 0.00 C ATOM 344 OG1 THR A 22 40.154 39.955 15.364 1.00 0.00 O ATOM 345 CG2 THR A 22 38.120 38.825 15.917 1.00 0.00 C ATOM 0 H THR A 22 38.479 41.884 15.765 1.00 0.00 H new ATOM 0 HA THR A 22 38.434 40.323 18.200 1.00 0.00 H new ATOM 0 HB THR A 22 39.919 38.802 17.055 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.659 40.624 14.847 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.414 37.999 15.269 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.533 38.440 16.751 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.521 39.536 15.349 1.00 0.00 H new ATOM 353 N ILE A 23 40.984 40.534 18.826 1.00 0.00 N ATOM 354 CA ILE A 23 42.288 40.889 19.349 1.00 0.00 C ATOM 355 C ILE A 23 43.329 41.001 18.233 1.00 0.00 C ATOM 356 O ILE A 23 44.207 41.859 18.301 1.00 0.00 O ATOM 357 CB ILE A 23 42.697 39.907 20.443 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.661 39.743 21.551 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.055 40.270 21.038 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.214 41.026 22.244 1.00 0.00 C ATOM 0 H ILE A 23 40.614 39.661 19.203 1.00 0.00 H new ATOM 0 HA ILE A 23 42.229 41.879 19.802 1.00 0.00 H new ATOM 0 HB ILE A 23 42.769 38.940 19.945 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.782 39.256 21.130 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.068 39.069 22.305 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.316 39.551 21.814 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.813 40.250 20.255 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.007 41.269 21.471 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.478 40.787 23.012 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.075 41.510 22.705 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.769 41.699 21.511 1.00 0.00 H new ATOM 372 N GLU A 24 43.190 40.232 17.157 1.00 0.00 N ATOM 373 CA GLU A 24 44.003 40.333 15.961 1.00 0.00 C ATOM 374 C GLU A 24 43.888 41.719 15.324 1.00 0.00 C ATOM 375 O GLU A 24 44.898 42.361 15.041 1.00 0.00 O ATOM 376 CB GLU A 24 43.579 39.220 15.007 1.00 0.00 C ATOM 377 CG GLU A 24 44.608 38.796 13.962 1.00 0.00 C ATOM 378 CD GLU A 24 44.413 39.464 12.601 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.625 38.937 11.785 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.056 40.496 12.310 1.00 0.00 O ATOM 0 H GLU A 24 42.483 39.499 17.097 1.00 0.00 H new ATOM 0 HA GLU A 24 45.057 40.210 16.211 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.313 38.345 15.599 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.676 39.540 14.488 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.606 39.030 14.332 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.560 37.714 13.836 1.00 0.00 H new ATOM 387 N ASN A 25 42.667 42.229 15.203 1.00 0.00 N ATOM 388 CA ASN A 25 42.398 43.566 14.713 1.00 0.00 C ATOM 389 C ASN A 25 42.838 44.656 15.693 1.00 0.00 C ATOM 390 O ASN A 25 43.287 45.716 15.265 1.00 0.00 O ATOM 391 CB ASN A 25 40.923 43.729 14.359 1.00 0.00 C ATOM 392 CG ASN A 25 40.271 42.573 13.596 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.169 42.147 13.935 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.899 42.026 12.560 1.00 0.00 N ATOM 0 H ASN A 25 41.824 41.710 15.449 1.00 0.00 H new ATOM 0 HA ASN A 25 42.995 43.691 13.810 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.366 43.885 15.283 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.813 44.635 13.764 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.466 41.256 12.050 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.814 42.376 12.275 1.00 0.00 H new ATOM 401 N VAL A 26 42.775 44.414 17.000 1.00 0.00 N ATOM 402 CA VAL A 26 43.266 45.335 18.004 1.00 0.00 C ATOM 403 C VAL A 26 44.781 45.520 17.887 1.00 0.00 C ATOM 404 O VAL A 26 45.239 46.659 17.864 1.00 0.00 O ATOM 405 CB VAL A 26 42.844 44.909 19.407 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.514 45.713 20.517 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.337 45.075 19.590 1.00 0.00 C ATOM 0 H VAL A 26 42.375 43.560 17.389 1.00 0.00 H new ATOM 0 HA VAL A 26 42.808 46.307 17.821 1.00 0.00 H new ATOM 0 HB VAL A 26 43.153 43.867 19.489 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.166 45.355 21.486 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.595 45.592 20.452 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.260 46.767 20.407 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.057 44.766 20.597 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.066 46.120 19.443 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.812 44.457 18.861 1.00 0.00 H new ATOM 417 N LYS A 27 45.553 44.450 17.714 1.00 0.00 N ATOM 418 CA LYS A 27 46.978 44.546 17.471 1.00 0.00 C ATOM 419 C LYS A 27 47.301 45.335 16.200 1.00 0.00 C ATOM 420 O LYS A 27 48.253 46.111 16.190 1.00 0.00 O ATOM 421 CB LYS A 27 47.613 43.162 17.384 1.00 0.00 C ATOM 422 CG LYS A 27 47.638 42.393 18.702 1.00 0.00 C ATOM 423 CD LYS A 27 48.208 40.999 18.456 1.00 0.00 C ATOM 424 CE LYS A 27 48.184 40.149 19.723 1.00 0.00 C ATOM 425 NZ LYS A 27 48.491 38.744 19.416 1.00 0.00 N ATOM 0 H LYS A 27 45.201 43.493 17.740 1.00 0.00 H new ATOM 0 HA LYS A 27 47.398 45.086 18.320 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.070 42.573 16.645 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.635 43.267 17.020 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.245 42.924 19.435 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.632 42.320 19.114 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.633 40.503 17.674 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.232 41.083 18.093 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.909 40.536 20.439 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.203 40.217 20.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.005 38.126 20.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.168 38.521 18.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.518 38.591 19.481 1.00 0.00 H new ATOM 439 N ALA A 28 46.497 45.186 15.151 1.00 0.00 N ATOM 440 CA ALA A 28 46.641 45.942 13.923 1.00 0.00 C ATOM 441 C ALA A 28 46.379 47.437 14.117 1.00 0.00 C ATOM 442 O ALA A 28 47.142 48.267 13.628 1.00 0.00 O ATOM 443 CB ALA A 28 45.705 45.337 12.880 1.00 0.00 C ATOM 0 H ALA A 28 45.719 44.527 15.136 1.00 0.00 H new ATOM 0 HA ALA A 28 47.674 45.873 13.583 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.796 45.890 11.945 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.973 44.294 12.712 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.677 45.394 13.237 1.00 0.00 H new ATOM 449 N LYS A 29 45.357 47.794 14.891 1.00 0.00 N ATOM 450 CA LYS A 29 45.032 49.158 15.254 1.00 0.00 C ATOM 451 C LYS A 29 46.084 49.801 16.159 1.00 0.00 C ATOM 452 O LYS A 29 46.271 51.015 16.097 1.00 0.00 O ATOM 453 CB LYS A 29 43.636 49.196 15.869 1.00 0.00 C ATOM 454 CG LYS A 29 42.539 48.987 14.829 1.00 0.00 C ATOM 455 CD LYS A 29 41.153 48.887 15.460 1.00 0.00 C ATOM 456 CE LYS A 29 40.106 48.771 14.355 1.00 0.00 C ATOM 457 NZ LYS A 29 38.726 48.859 14.859 1.00 0.00 N ATOM 0 H LYS A 29 44.714 47.112 15.293 1.00 0.00 H new ATOM 0 HA LYS A 29 45.035 49.763 14.347 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.558 48.425 16.636 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.486 50.155 16.365 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.553 49.813 14.118 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.745 48.078 14.265 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.102 48.020 16.119 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.955 49.766 16.074 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.270 49.561 13.622 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.237 47.822 13.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.087 49.113 14.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.442 47.940 15.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.673 49.586 15.601 1.00 0.00 H new ATOM 471 N ILE A 30 46.809 49.013 16.948 1.00 0.00 N ATOM 472 CA ILE A 30 47.967 49.431 17.712 1.00 0.00 C ATOM 473 C ILE A 30 49.193 49.633 16.819 1.00 0.00 C ATOM 474 O ILE A 30 49.886 50.638 16.961 1.00 0.00 O ATOM 475 CB ILE A 30 48.229 48.454 18.853 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.115 48.567 19.890 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.586 48.673 19.516 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.092 47.421 20.898 1.00 0.00 C ATOM 0 H ILE A 30 46.591 48.024 17.074 1.00 0.00 H new ATOM 0 HA ILE A 30 47.755 50.404 18.155 1.00 0.00 H new ATOM 0 HB ILE A 30 48.244 47.451 18.426 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.226 49.509 20.427 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.155 48.605 19.375 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.719 47.950 20.321 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.377 48.543 18.777 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.633 49.683 19.924 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.273 47.572 21.602 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.949 46.477 20.372 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.037 47.395 21.441 1.00 0.00 H new ATOM 490 N GLN A 31 49.455 48.745 15.863 1.00 0.00 N ATOM 491 CA GLN A 31 50.526 48.892 14.898 1.00 0.00 C ATOM 492 C GLN A 31 50.392 50.179 14.083 1.00 0.00 C ATOM 493 O GLN A 31 51.380 50.868 13.836 1.00 0.00 O ATOM 494 CB GLN A 31 50.535 47.672 13.981 1.00 0.00 C ATOM 495 CG GLN A 31 51.669 47.672 12.960 1.00 0.00 C ATOM 496 CD GLN A 31 51.587 46.485 12.000 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.562 45.822 11.859 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.670 46.156 11.299 1.00 0.00 N ATOM 0 H GLN A 31 48.915 47.889 15.741 1.00 0.00 H new ATOM 0 HA GLN A 31 51.471 48.960 15.437 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.609 46.772 14.591 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.583 47.621 13.452 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.641 48.600 12.389 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.625 47.648 13.483 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.529 46.696 11.404 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.641 45.364 10.657 1.00 0.00 H new ATOM 507 N ASP A 32 49.162 50.546 13.734 1.00 0.00 N ATOM 508 CA ASP A 32 48.848 51.773 13.030 1.00 0.00 C ATOM 509 C ASP A 32 49.209 53.047 13.797 1.00 0.00 C ATOM 510 O ASP A 32 49.342 54.108 13.190 1.00 0.00 O ATOM 511 CB ASP A 32 47.374 51.742 12.642 1.00 0.00 C ATOM 512 CG ASP A 32 47.024 52.816 11.609 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.695 52.862 10.555 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.088 53.608 11.854 1.00 0.00 O ATOM 0 H ASP A 32 48.339 49.980 13.941 1.00 0.00 H new ATOM 0 HA ASP A 32 49.474 51.815 12.139 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.127 50.760 12.240 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.763 51.885 13.533 1.00 0.00 H new ATOM 519 N LYS A 33 49.411 52.954 15.108 1.00 0.00 N ATOM 520 CA LYS A 33 49.843 54.033 15.974 1.00 0.00 C ATOM 521 C LYS A 33 51.319 53.948 16.366 1.00 0.00 C ATOM 522 O LYS A 33 52.046 54.926 16.205 1.00 0.00 O ATOM 523 CB LYS A 33 48.939 54.105 17.201 1.00 0.00 C ATOM 524 CG LYS A 33 47.544 54.607 16.841 1.00 0.00 C ATOM 525 CD LYS A 33 46.676 54.813 18.080 1.00 0.00 C ATOM 526 CE LYS A 33 45.291 55.359 17.740 1.00 0.00 C ATOM 527 NZ LYS A 33 45.341 56.701 17.138 1.00 0.00 N ATOM 0 H LYS A 33 49.270 52.080 15.614 1.00 0.00 H new ATOM 0 HA LYS A 33 49.751 54.958 15.405 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.865 53.118 17.658 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.384 54.767 17.944 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.626 55.547 16.295 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.062 53.892 16.175 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.570 53.865 18.607 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.177 55.501 18.760 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.794 54.675 17.052 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.686 55.394 18.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.377 57.086 17.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.921 57.327 17.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.759 56.640 16.188 1.00 0.00 H new ATOM 541 N GLU A 34 51.774 52.804 16.867 1.00 0.00 N ATOM 542 CA GLU A 34 53.071 52.627 17.487 1.00 0.00 C ATOM 543 C GLU A 34 54.119 51.941 16.609 1.00 0.00 C ATOM 544 O GLU A 34 55.290 51.861 16.976 1.00 0.00 O ATOM 545 CB GLU A 34 52.906 51.897 18.818 1.00 0.00 C ATOM 546 CG GLU A 34 51.933 52.545 19.799 1.00 0.00 C ATOM 547 CD GLU A 34 52.287 53.988 20.164 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.426 54.257 20.602 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.437 54.894 20.026 1.00 0.00 O ATOM 0 H GLU A 34 51.224 51.945 16.849 1.00 0.00 H new ATOM 0 HA GLU A 34 53.468 53.629 17.649 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.570 50.880 18.617 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.883 51.822 19.296 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.932 52.525 19.369 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.900 51.948 20.710 1.00 0.00 H new ATOM 556 N GLY A 35 53.730 51.418 15.449 1.00 0.00 N ATOM 557 CA GLY A 35 54.628 50.818 14.483 1.00 0.00 C ATOM 558 C GLY A 35 55.183 49.439 14.842 1.00 0.00 C ATOM 559 O GLY A 35 56.025 48.919 14.115 1.00 0.00 O ATOM 0 H GLY A 35 52.754 51.403 15.153 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.103 50.739 13.531 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.468 51.496 14.329 1.00 0.00 H new ATOM 563 N ILE A 36 54.719 48.822 15.926 1.00 0.00 N ATOM 564 CA ILE A 36 55.148 47.507 16.357 1.00 0.00 C ATOM 565 C ILE A 36 54.278 46.433 15.699 1.00 0.00 C ATOM 566 O ILE A 36 53.062 46.494 15.864 1.00 0.00 O ATOM 567 CB ILE A 36 55.112 47.398 17.879 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.857 48.519 18.597 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.648 46.042 18.326 1.00 0.00 C ATOM 570 CD1 ILE A 36 57.313 48.723 18.187 1.00 0.00 C ATOM 0 H ILE A 36 54.018 49.238 16.539 1.00 0.00 H new ATOM 0 HA ILE A 36 56.180 47.351 16.043 1.00 0.00 H new ATOM 0 HB ILE A 36 54.064 47.499 18.162 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.319 49.452 18.429 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.826 48.321 19.668 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.616 45.979 19.414 1.00 0.00 H new ATOM 0 HG22 ILE A 36 55.034 45.249 17.898 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.677 45.927 17.986 1.00 0.00 H new ATOM 0 HD11 ILE A 36 57.741 49.545 18.761 1.00 0.00 H new ATOM 0 HD12 ILE A 36 57.877 47.811 18.382 1.00 0.00 H new ATOM 0 HD13 ILE A 36 57.362 48.959 17.124 1.00 0.00 H new ATOM 582 N PRO A 37 54.829 45.457 14.984 1.00 0.00 N ATOM 583 CA PRO A 37 54.045 44.438 14.313 1.00 0.00 C ATOM 584 C PRO A 37 53.369 43.488 15.303 1.00 0.00 C ATOM 585 O PRO A 37 53.905 43.276 16.388 1.00 0.00 O ATOM 586 CB PRO A 37 55.004 43.707 13.379 1.00 0.00 C ATOM 587 CG PRO A 37 56.345 43.848 14.095 1.00 0.00 C ATOM 588 CD PRO A 37 56.238 45.227 14.741 1.00 0.00 C ATOM 0 HA PRO A 37 53.225 44.886 13.752 1.00 0.00 H new ATOM 0 HB2 PRO A 37 54.723 42.662 13.248 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.025 44.158 12.387 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.492 43.064 14.837 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.183 43.790 13.400 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.804 45.265 15.672 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.650 45.995 14.087 1.00 0.00 H new ATOM 596 N PRO A 38 52.229 42.889 14.970 1.00 0.00 N ATOM 597 CA PRO A 38 51.423 42.136 15.908 1.00 0.00 C ATOM 598 C PRO A 38 52.134 41.022 16.681 1.00 0.00 C ATOM 599 O PRO A 38 51.858 40.865 17.869 1.00 0.00 O ATOM 600 CB PRO A 38 50.258 41.584 15.091 1.00 0.00 C ATOM 601 CG PRO A 38 50.048 42.681 14.050 1.00 0.00 C ATOM 602 CD PRO A 38 51.490 43.071 13.737 1.00 0.00 C ATOM 0 HA PRO A 38 51.118 42.809 16.710 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.501 40.626 14.630 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.370 41.427 15.703 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.520 42.317 13.169 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.471 43.518 14.444 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.899 42.448 12.941 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.549 44.104 13.395 1.00 0.00 H new ATOM 610 N ASP A 39 53.071 40.291 16.085 1.00 0.00 N ATOM 611 CA ASP A 39 53.771 39.228 16.778 1.00 0.00 C ATOM 612 C ASP A 39 54.761 39.711 17.840 1.00 0.00 C ATOM 613 O ASP A 39 55.139 38.942 18.721 1.00 0.00 O ATOM 614 CB ASP A 39 54.352 38.203 15.810 1.00 0.00 C ATOM 615 CG ASP A 39 55.629 38.640 15.089 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.611 38.793 13.848 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.693 38.740 15.738 1.00 0.00 O ATOM 0 H ASP A 39 53.361 40.421 15.116 1.00 0.00 H new ATOM 0 HA ASP A 39 53.013 38.704 17.360 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.560 37.285 16.359 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.596 37.963 15.063 1.00 0.00 H new ATOM 622 N GLN A 40 55.128 40.990 17.830 1.00 0.00 N ATOM 623 CA GLN A 40 55.936 41.636 18.844 1.00 0.00 C ATOM 624 C GLN A 40 55.105 42.279 19.957 1.00 0.00 C ATOM 625 O GLN A 40 55.677 42.883 20.861 1.00 0.00 O ATOM 626 CB GLN A 40 56.893 42.627 18.188 1.00 0.00 C ATOM 627 CG GLN A 40 57.889 41.956 17.248 1.00 0.00 C ATOM 628 CD GLN A 40 58.927 42.903 16.640 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.074 44.073 16.987 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.724 42.408 15.696 1.00 0.00 N ATOM 0 H GLN A 40 54.855 41.626 17.080 1.00 0.00 H new ATOM 0 HA GLN A 40 56.522 40.864 19.343 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.317 43.366 17.631 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.438 43.165 18.963 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.410 41.169 17.793 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.339 41.474 16.440 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.617 41.439 15.395 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.442 42.997 15.274 1.00 0.00 H new ATOM 639 N GLN A 41 53.782 42.144 19.933 1.00 0.00 N ATOM 640 CA GLN A 41 52.863 42.652 20.932 1.00 0.00 C ATOM 641 C GLN A 41 52.315 41.525 21.810 1.00 0.00 C ATOM 642 O GLN A 41 51.974 40.458 21.304 1.00 0.00 O ATOM 643 CB GLN A 41 51.697 43.372 20.263 1.00 0.00 C ATOM 644 CG GLN A 41 52.046 44.540 19.346 1.00 0.00 C ATOM 645 CD GLN A 41 50.790 45.152 18.721 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.699 45.133 19.289 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.856 45.718 17.519 1.00 0.00 N ATOM 0 H GLN A 41 53.304 41.653 19.177 1.00 0.00 H new ATOM 0 HA GLN A 41 53.417 43.349 21.560 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.134 42.641 19.683 1.00 0.00 H new ATOM 0 HB3 GLN A 41 51.032 43.740 21.044 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.581 45.302 19.912 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.717 44.198 18.558 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.745 45.752 17.019 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.018 46.119 17.097 1.00 0.00 H new ATOM 656 N ARG A 42 52.150 41.766 23.107 1.00 0.00 N ATOM 657 CA ARG A 42 51.425 40.922 24.035 1.00 0.00 C ATOM 658 C ARG A 42 50.424 41.776 24.815 1.00 0.00 C ATOM 659 O ARG A 42 50.820 42.706 25.516 1.00 0.00 O ATOM 660 CB ARG A 42 52.434 40.200 24.922 1.00 0.00 C ATOM 661 CG ARG A 42 51.825 39.386 26.061 1.00 0.00 C ATOM 662 CD ARG A 42 52.927 38.648 26.818 1.00 0.00 C ATOM 663 NE ARG A 42 52.432 37.927 27.991 1.00 0.00 N ATOM 664 CZ ARG A 42 51.836 36.728 28.033 1.00 0.00 C ATOM 665 NH1 ARG A 42 51.554 36.000 26.943 1.00 0.00 N ATOM 666 NH2 ARG A 42 51.482 36.175 29.201 1.00 0.00 N ATOM 0 H ARG A 42 52.539 42.596 23.555 1.00 0.00 H new ATOM 0 HA ARG A 42 50.844 40.158 23.519 1.00 0.00 H new ATOM 0 HB2 ARG A 42 53.032 39.535 24.299 1.00 0.00 H new ATOM 0 HB3 ARG A 42 53.115 40.937 25.346 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.283 40.044 26.740 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.103 38.672 25.664 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.414 37.943 26.144 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.686 39.364 27.132 1.00 0.00 H new ATOM 0 HE ARG A 42 52.556 38.396 28.888 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.795 36.354 26.017 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.098 35.093 27.040 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.666 36.668 30.075 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.029 35.261 29.216 1.00 0.00 H new ATOM 680 N LEU A 43 49.135 41.480 24.671 1.00 0.00 N ATOM 681 CA LEU A 43 48.044 42.191 25.304 1.00 0.00 C ATOM 682 C LEU A 43 47.541 41.439 26.538 1.00 0.00 C ATOM 683 O LEU A 43 47.348 40.226 26.487 1.00 0.00 O ATOM 684 CB LEU A 43 46.933 42.430 24.285 1.00 0.00 C ATOM 685 CG LEU A 43 47.276 43.438 23.192 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.246 43.370 22.069 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.282 44.861 23.741 1.00 0.00 C ATOM 0 H LEU A 43 48.817 40.707 24.086 1.00 0.00 H new ATOM 0 HA LEU A 43 48.400 43.160 25.654 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.678 41.479 23.817 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.043 42.775 24.812 1.00 0.00 H new ATOM 0 HG LEU A 43 48.267 43.186 22.816 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.502 44.094 21.296 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.241 42.368 21.640 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.258 43.599 22.467 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.529 45.559 22.941 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.297 45.101 24.140 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.024 44.942 24.535 1.00 0.00 H new ATOM 699 N ILE A 44 47.322 42.164 27.631 1.00 0.00 N ATOM 700 CA ILE A 44 46.966 41.654 28.939 1.00 0.00 C ATOM 701 C ILE A 44 45.646 42.252 29.430 1.00 0.00 C ATOM 702 O ILE A 44 45.438 43.462 29.388 1.00 0.00 O ATOM 703 CB ILE A 44 48.090 41.891 29.944 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.443 41.316 29.535 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.718 41.396 31.339 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.513 39.795 29.427 1.00 0.00 C ATOM 0 H ILE A 44 47.394 43.181 27.620 1.00 0.00 H new ATOM 0 HA ILE A 44 46.823 40.577 28.848 1.00 0.00 H new ATOM 0 HB ILE A 44 48.208 42.974 29.960 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.722 41.743 28.572 1.00 0.00 H new ATOM 0 HG13 ILE A 44 50.190 41.645 30.258 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.545 41.583 32.024 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.831 41.924 31.688 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.512 40.326 31.303 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.519 39.497 29.130 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.273 39.350 30.393 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.798 39.450 28.681 1.00 0.00 H new ATOM 718 N PHE A 45 44.781 41.390 29.959 1.00 0.00 N ATOM 719 CA PHE A 45 43.564 41.712 30.676 1.00 0.00 C ATOM 720 C PHE A 45 43.270 40.622 31.709 1.00 0.00 C ATOM 721 O PHE A 45 43.568 39.455 31.468 1.00 0.00 O ATOM 722 CB PHE A 45 42.412 41.842 29.684 1.00 0.00 C ATOM 723 CG PHE A 45 41.033 41.970 30.286 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.742 43.007 31.180 1.00 0.00 C ATOM 725 CD2 PHE A 45 40.051 41.018 29.986 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.492 43.065 31.807 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.787 41.095 30.583 1.00 0.00 C ATOM 728 CZ PHE A 45 38.513 42.111 31.506 1.00 0.00 C ATOM 0 H PHE A 45 44.928 40.383 29.890 1.00 0.00 H new ATOM 0 HA PHE A 45 43.684 42.660 31.201 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.595 42.714 29.056 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.422 40.970 29.029 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.484 43.764 31.386 1.00 0.00 H new ATOM 0 HD2 PHE A 45 40.270 40.221 29.291 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.283 43.846 32.523 1.00 0.00 H new ATOM 0 HE2 PHE A 45 38.025 40.372 30.332 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.547 42.159 31.986 1.00 0.00 H new ATOM 738 N ALA A 46 42.691 40.983 32.851 1.00 0.00 N ATOM 739 CA ALA A 46 42.378 40.082 33.942 1.00 0.00 C ATOM 740 C ALA A 46 43.555 39.201 34.366 1.00 0.00 C ATOM 741 O ALA A 46 43.411 38.005 34.611 1.00 0.00 O ATOM 742 CB ALA A 46 41.096 39.325 33.606 1.00 0.00 C ATOM 0 H ALA A 46 42.419 41.947 33.043 1.00 0.00 H new ATOM 0 HA ALA A 46 42.190 40.665 34.844 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.851 38.644 34.421 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.280 40.034 33.469 1.00 0.00 H new ATOM 0 HB3 ALA A 46 41.240 38.755 32.688 1.00 0.00 H new ATOM 748 N GLY A 47 44.754 39.776 34.393 1.00 0.00 N ATOM 749 CA GLY A 47 45.998 39.114 34.730 1.00 0.00 C ATOM 750 C GLY A 47 46.570 38.162 33.678 1.00 0.00 C ATOM 751 O GLY A 47 47.592 37.538 33.953 1.00 0.00 O ATOM 0 H GLY A 47 44.884 40.763 34.169 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.746 39.879 34.941 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.847 38.553 35.652 1.00 0.00 H new ATOM 755 N LYS A 48 45.952 38.021 32.508 1.00 0.00 N ATOM 756 CA LYS A 48 46.272 37.018 31.515 1.00 0.00 C ATOM 757 C LYS A 48 46.287 37.557 30.083 1.00 0.00 C ATOM 758 O LYS A 48 45.718 38.606 29.790 1.00 0.00 O ATOM 759 CB LYS A 48 45.284 35.862 31.638 1.00 0.00 C ATOM 760 CG LYS A 48 45.323 35.088 32.952 1.00 0.00 C ATOM 761 CD LYS A 48 46.621 34.310 33.146 1.00 0.00 C ATOM 762 CE LYS A 48 46.654 33.626 34.510 1.00 0.00 C ATOM 763 NZ LYS A 48 47.852 32.781 34.638 1.00 0.00 N ATOM 0 H LYS A 48 45.186 38.630 32.222 1.00 0.00 H new ATOM 0 HA LYS A 48 47.288 36.678 31.715 1.00 0.00 H new ATOM 0 HB2 LYS A 48 44.277 36.255 31.500 1.00 0.00 H new ATOM 0 HB3 LYS A 48 45.469 35.164 30.822 1.00 0.00 H new ATOM 0 HG2 LYS A 48 45.195 35.784 33.781 1.00 0.00 H new ATOM 0 HG3 LYS A 48 44.482 34.395 32.985 1.00 0.00 H new ATOM 0 HD2 LYS A 48 46.722 33.563 32.359 1.00 0.00 H new ATOM 0 HD3 LYS A 48 47.471 34.986 33.054 1.00 0.00 H new ATOM 0 HE2 LYS A 48 46.647 34.377 35.300 1.00 0.00 H new ATOM 0 HE3 LYS A 48 45.758 33.018 34.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 47.856 32.324 35.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 47.843 32.052 33.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 48.704 33.369 34.536 1.00 0.00 H new ATOM 777 N GLN A 49 46.929 36.826 29.175 1.00 0.00 N ATOM 778 CA GLN A 49 46.982 37.108 27.756 1.00 0.00 C ATOM 779 C GLN A 49 45.596 37.234 27.120 1.00 0.00 C ATOM 780 O GLN A 49 44.668 36.511 27.477 1.00 0.00 O ATOM 781 CB GLN A 49 47.798 36.007 27.084 1.00 0.00 C ATOM 782 CG GLN A 49 48.184 36.291 25.636 1.00 0.00 C ATOM 783 CD GLN A 49 48.772 35.075 24.917 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.151 34.066 25.507 1.00 0.00 O ATOM 785 NE2 GLN A 49 48.842 35.089 23.589 1.00 0.00 N ATOM 0 H GLN A 49 47.448 35.985 29.427 1.00 0.00 H new ATOM 0 HA GLN A 49 47.457 38.079 27.611 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.707 35.843 27.662 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.227 35.079 27.118 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.303 36.635 25.093 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.910 37.104 25.613 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.535 35.912 23.071 1.00 0.00 H new ATOM 0 HE22 GLN A 49 49.203 34.277 23.089 1.00 0.00 H new ATOM 794 N LEU A 50 45.463 38.116 26.133 1.00 0.00 N ATOM 795 CA LEU A 50 44.377 38.162 25.174 1.00 0.00 C ATOM 796 C LEU A 50 44.807 37.509 23.860 1.00 0.00 C ATOM 797 O LEU A 50 45.871 37.827 23.332 1.00 0.00 O ATOM 798 CB LEU A 50 43.967 39.618 24.966 1.00 0.00 C ATOM 799 CG LEU A 50 43.287 40.278 26.162 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.074 41.761 25.873 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.919 39.661 26.439 1.00 0.00 C ATOM 0 H LEU A 50 46.149 38.854 25.978 1.00 0.00 H new ATOM 0 HA LEU A 50 43.519 37.605 25.550 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.855 40.196 24.709 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.293 39.671 24.111 1.00 0.00 H new ATOM 0 HG LEU A 50 43.933 40.130 27.028 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.588 42.232 26.728 1.00 0.00 H new ATOM 0 HD12 LEU A 50 44.037 42.239 25.694 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.444 41.873 24.990 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.464 40.155 27.297 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.279 39.788 25.566 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.036 38.598 26.652 1.00 0.00 H new ATOM 813 N GLU A 51 43.999 36.593 23.333 1.00 0.00 N ATOM 814 CA GLU A 51 44.316 35.757 22.193 1.00 0.00 C ATOM 815 C GLU A 51 43.613 36.191 20.906 1.00 0.00 C ATOM 816 O GLU A 51 42.458 36.610 20.928 1.00 0.00 O ATOM 817 CB GLU A 51 44.025 34.294 22.516 1.00 0.00 C ATOM 818 CG GLU A 51 44.922 33.750 23.626 1.00 0.00 C ATOM 819 CD GLU A 51 44.757 32.247 23.855 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.775 31.631 23.388 1.00 0.00 O ATOM 821 OE2 GLU A 51 45.605 31.647 24.552 1.00 0.00 O ATOM 0 H GLU A 51 43.068 36.410 23.709 1.00 0.00 H new ATOM 0 HA GLU A 51 45.382 35.877 22.000 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.981 34.192 22.814 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.160 33.693 21.617 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.962 33.961 23.379 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.701 34.278 24.554 1.00 0.00 H new ATOM 828 N ASP A 52 44.290 36.062 19.768 1.00 0.00 N ATOM 829 CA ASP A 52 43.904 36.618 18.486 1.00 0.00 C ATOM 830 C ASP A 52 42.567 36.119 17.935 1.00 0.00 C ATOM 831 O ASP A 52 41.893 36.858 17.221 1.00 0.00 O ATOM 832 CB ASP A 52 45.004 36.334 17.466 1.00 0.00 C ATOM 833 CG ASP A 52 46.312 37.067 17.765 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.431 38.279 17.482 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.253 36.447 18.307 1.00 0.00 O ATOM 0 H ASP A 52 45.165 35.540 19.719 1.00 0.00 H new ATOM 0 HA ASP A 52 43.770 37.686 18.658 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.195 35.261 17.438 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.653 36.621 16.475 1.00 0.00 H new ATOM 840 N GLY A 53 42.156 34.893 18.242 1.00 0.00 N ATOM 841 CA GLY A 53 40.985 34.248 17.681 1.00 0.00 C ATOM 842 C GLY A 53 39.635 34.598 18.309 1.00 0.00 C ATOM 843 O GLY A 53 38.668 33.896 18.019 1.00 0.00 O ATOM 0 H GLY A 53 42.650 34.304 18.913 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.939 34.492 16.620 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.124 33.169 17.754 1.00 0.00 H new ATOM 847 N ARG A 54 39.543 35.600 19.178 1.00 0.00 N ATOM 848 CA ARG A 54 38.343 35.960 19.905 1.00 0.00 C ATOM 849 C ARG A 54 37.982 37.439 19.743 1.00 0.00 C ATOM 850 O ARG A 54 38.865 38.273 19.559 1.00 0.00 O ATOM 851 CB ARG A 54 38.463 35.599 21.383 1.00 0.00 C ATOM 852 CG ARG A 54 39.239 34.324 21.696 1.00 0.00 C ATOM 853 CD ARG A 54 39.142 33.942 23.171 1.00 0.00 C ATOM 854 NE ARG A 54 40.193 32.994 23.541 1.00 0.00 N ATOM 855 CZ ARG A 54 40.455 32.525 24.769 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.697 32.808 25.838 1.00 0.00 N ATOM 857 NH2 ARG A 54 41.511 31.736 25.004 1.00 0.00 N ATOM 0 H ARG A 54 40.336 36.203 19.399 1.00 0.00 H new ATOM 0 HA ARG A 54 37.531 35.378 19.469 1.00 0.00 H new ATOM 0 HB2 ARG A 54 38.942 36.429 21.902 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.459 35.501 21.796 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.856 33.507 21.084 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.286 34.461 21.425 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.222 34.837 23.788 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.165 33.503 23.372 1.00 0.00 H new ATOM 0 HE ARG A 54 40.789 32.655 22.786 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.877 33.406 25.738 1.00 0.00 H new ATOM 0 HH12 ARG A 54 39.940 32.425 26.752 1.00 0.00 H new ATOM 0 HH21 ARG A 54 42.136 31.480 24.240 1.00 0.00 H new ATOM 0 HH22 ARG A 54 41.690 31.391 25.947 1.00 0.00 H new ATOM 871 N THR A 55 36.699 37.774 19.854 1.00 0.00 N ATOM 872 CA THR A 55 36.201 39.135 19.844 1.00 0.00 C ATOM 873 C THR A 55 36.351 39.845 21.191 1.00 0.00 C ATOM 874 O THR A 55 36.419 39.209 22.240 1.00 0.00 O ATOM 875 CB THR A 55 34.748 39.228 19.385 1.00 0.00 C ATOM 876 OG1 THR A 55 33.914 38.416 20.180 1.00 0.00 O ATOM 877 CG2 THR A 55 34.545 38.794 17.937 1.00 0.00 C ATOM 0 H THR A 55 35.959 37.079 19.956 1.00 0.00 H new ATOM 0 HA THR A 55 36.832 39.647 19.118 1.00 0.00 H new ATOM 0 HB THR A 55 34.488 40.282 19.482 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.056 38.868 20.322 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.491 38.884 17.674 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.138 39.430 17.280 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.861 37.757 17.820 1.00 0.00 H new ATOM 885 N LEU A 56 36.326 41.174 21.183 1.00 0.00 N ATOM 886 CA LEU A 56 36.169 41.971 22.384 1.00 0.00 C ATOM 887 C LEU A 56 34.882 41.624 23.134 1.00 0.00 C ATOM 888 O LEU A 56 34.901 41.510 24.358 1.00 0.00 O ATOM 889 CB LEU A 56 36.204 43.453 22.021 1.00 0.00 C ATOM 890 CG LEU A 56 37.551 43.969 21.524 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.397 45.420 21.078 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.632 43.928 22.600 1.00 0.00 C ATOM 0 H LEU A 56 36.415 41.729 20.332 1.00 0.00 H new ATOM 0 HA LEU A 56 36.997 41.744 23.055 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.455 43.640 21.251 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.912 44.032 22.897 1.00 0.00 H new ATOM 0 HG LEU A 56 37.857 43.319 20.704 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.356 45.795 20.722 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.664 45.478 20.274 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.061 46.026 21.920 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.568 44.307 22.190 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.329 44.547 23.444 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.772 42.901 22.936 1.00 0.00 H new ATOM 904 N SER A 57 33.791 41.361 22.419 1.00 0.00 N ATOM 905 CA SER A 57 32.536 40.881 22.962 1.00 0.00 C ATOM 906 C SER A 57 32.622 39.505 23.628 1.00 0.00 C ATOM 907 O SER A 57 31.883 39.260 24.577 1.00 0.00 O ATOM 908 CB SER A 57 31.467 40.869 21.874 1.00 0.00 C ATOM 909 OG SER A 57 31.820 40.001 20.820 1.00 0.00 O ATOM 0 H SER A 57 33.762 41.483 21.407 1.00 0.00 H new ATOM 0 HA SER A 57 32.267 41.579 23.755 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.514 40.558 22.301 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.328 41.878 21.486 1.00 0.00 H new ATOM 0 HG SER A 57 31.117 40.012 20.138 1.00 0.00 H new ATOM 915 N ASP A 58 33.526 38.621 23.214 1.00 0.00 N ATOM 916 CA ASP A 58 33.765 37.354 23.873 1.00 0.00 C ATOM 917 C ASP A 58 34.336 37.579 25.275 1.00 0.00 C ATOM 918 O ASP A 58 33.777 37.097 26.257 1.00 0.00 O ATOM 919 CB ASP A 58 34.700 36.485 23.036 1.00 0.00 C ATOM 920 CG ASP A 58 34.791 35.057 23.577 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.153 34.166 22.975 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.492 34.811 24.582 1.00 0.00 O ATOM 0 H ASP A 58 34.119 38.774 22.398 1.00 0.00 H new ATOM 0 HA ASP A 58 32.815 36.830 23.974 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.347 36.461 22.005 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.694 36.931 23.022 1.00 0.00 H new ATOM 927 N TYR A 59 35.375 38.402 25.385 1.00 0.00 N ATOM 928 CA TYR A 59 35.977 38.801 26.640 1.00 0.00 C ATOM 929 C TYR A 59 35.143 39.802 27.442 1.00 0.00 C ATOM 930 O TYR A 59 35.575 40.212 28.517 1.00 0.00 O ATOM 931 CB TYR A 59 37.388 39.318 26.376 1.00 0.00 C ATOM 932 CG TYR A 59 38.430 38.291 26.002 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.999 37.483 26.994 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.923 38.229 24.692 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.061 36.623 26.691 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.998 37.387 24.383 1.00 0.00 C ATOM 937 CZ TYR A 59 40.576 36.578 25.380 1.00 0.00 C ATOM 938 OH TYR A 59 41.633 35.772 25.071 1.00 0.00 O ATOM 0 H TYR A 59 35.831 38.819 24.574 1.00 0.00 H new ATOM 0 HA TYR A 59 36.021 37.917 27.275 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.335 40.056 25.575 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.731 39.841 27.269 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.615 37.524 28.003 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.472 38.833 23.918 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.485 35.995 27.461 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.386 37.358 23.375 1.00 0.00 H new ATOM 0 HH TYR A 59 41.417 35.240 24.277 1.00 0.00 H new ATOM 948 N ASN A 60 33.963 40.199 26.976 1.00 0.00 N ATOM 949 CA ASN A 60 33.102 41.196 27.581 1.00 0.00 C ATOM 950 C ASN A 60 33.787 42.546 27.807 1.00 0.00 C ATOM 951 O ASN A 60 33.568 43.219 28.811 1.00 0.00 O ATOM 952 CB ASN A 60 32.402 40.601 28.799 1.00 0.00 C ATOM 953 CG ASN A 60 31.129 41.335 29.224 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.566 42.153 28.499 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.589 41.026 30.399 1.00 0.00 N ATOM 0 H ASN A 60 33.565 39.810 26.121 1.00 0.00 H new ATOM 0 HA ASN A 60 32.319 41.459 26.870 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.152 39.561 28.586 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.100 40.596 29.636 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.716 41.466 30.691 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.047 40.349 31.009 1.00 0.00 H new ATOM 962 N ILE A 61 34.640 42.954 26.873 1.00 0.00 N ATOM 963 CA ILE A 61 35.371 44.207 26.885 1.00 0.00 C ATOM 964 C ILE A 61 34.484 45.270 26.235 1.00 0.00 C ATOM 965 O ILE A 61 34.539 45.496 25.028 1.00 0.00 O ATOM 966 CB ILE A 61 36.739 44.051 26.228 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.591 42.985 26.910 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.501 45.374 26.236 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.823 42.554 26.120 1.00 0.00 C ATOM 0 H ILE A 61 34.847 42.389 26.049 1.00 0.00 H new ATOM 0 HA ILE A 61 35.592 44.526 27.904 1.00 0.00 H new ATOM 0 HB ILE A 61 36.552 43.737 25.201 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.912 43.362 27.881 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.971 42.108 27.097 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.473 45.237 25.762 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.932 46.125 25.687 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.642 45.706 27.264 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.368 41.794 26.681 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.514 42.143 25.159 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.469 43.416 25.955 1.00 0.00 H new ATOM 981 N GLN A 62 33.620 45.885 27.037 1.00 0.00 N ATOM 982 CA GLN A 62 32.673 46.907 26.636 1.00 0.00 C ATOM 983 C GLN A 62 33.310 48.291 26.494 1.00 0.00 C ATOM 984 O GLN A 62 34.488 48.484 26.787 1.00 0.00 O ATOM 985 CB GLN A 62 31.521 46.913 27.636 1.00 0.00 C ATOM 986 CG GLN A 62 30.728 45.609 27.629 1.00 0.00 C ATOM 987 CD GLN A 62 29.501 45.634 28.542 1.00 0.00 C ATOM 988 OE1 GLN A 62 28.737 46.593 28.619 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.229 44.548 29.259 1.00 0.00 N ATOM 0 H GLN A 62 33.563 45.670 28.032 1.00 0.00 H new ATOM 0 HA GLN A 62 32.300 46.666 25.641 1.00 0.00 H new ATOM 0 HB2 GLN A 62 31.915 47.088 28.637 1.00 0.00 H new ATOM 0 HB3 GLN A 62 30.851 47.742 27.407 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.408 45.394 26.610 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.383 44.794 27.936 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.848 43.738 29.213 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.402 44.525 29.855 1.00 0.00 H new ATOM 998 N LYS A 63 32.531 49.282 26.071 1.00 0.00 N ATOM 999 CA LYS A 63 32.898 50.682 26.006 1.00 0.00 C ATOM 1000 C LYS A 63 33.616 51.187 27.259 1.00 0.00 C ATOM 1001 O LYS A 63 33.227 50.861 28.379 1.00 0.00 O ATOM 1002 CB LYS A 63 31.656 51.509 25.685 1.00 0.00 C ATOM 1003 CG LYS A 63 30.599 51.498 26.786 1.00 0.00 C ATOM 1004 CD LYS A 63 29.274 52.094 26.319 1.00 0.00 C ATOM 1005 CE LYS A 63 28.223 52.037 27.424 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.378 53.115 28.414 1.00 0.00 N ATOM 0 H LYS A 63 31.578 49.115 25.749 1.00 0.00 H new ATOM 0 HA LYS A 63 33.629 50.798 25.206 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.957 52.539 25.496 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.210 51.133 24.764 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.437 50.474 27.121 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.966 52.060 27.645 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.426 53.129 26.011 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.916 51.551 25.445 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.230 52.099 26.978 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.286 51.073 27.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.639 53.028 29.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.314 53.043 28.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.291 54.037 27.940 1.00 0.00 H new ATOM 1020 N GLU A 64 34.663 51.986 27.076 1.00 0.00 N ATOM 1021 CA GLU A 64 35.504 52.546 28.114 1.00 0.00 C ATOM 1022 C GLU A 64 36.223 51.532 29.007 1.00 0.00 C ATOM 1023 O GLU A 64 36.532 51.823 30.160 1.00 0.00 O ATOM 1024 CB GLU A 64 34.784 53.631 28.909 1.00 0.00 C ATOM 1025 CG GLU A 64 34.312 54.812 28.066 1.00 0.00 C ATOM 1026 CD GLU A 64 33.763 55.921 28.965 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.615 55.803 29.446 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.460 56.932 29.201 1.00 0.00 O ATOM 0 H GLU A 64 34.959 52.273 26.143 1.00 0.00 H new ATOM 0 HA GLU A 64 36.321 53.020 27.570 1.00 0.00 H new ATOM 0 HB2 GLU A 64 33.923 53.188 29.409 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.451 53.999 29.688 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.140 55.195 27.469 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.541 54.485 27.369 1.00 0.00 H new ATOM 1035 N SER A 65 36.503 50.330 28.511 1.00 0.00 N ATOM 1036 CA SER A 65 37.352 49.362 29.175 1.00 0.00 C ATOM 1037 C SER A 65 38.841 49.679 29.014 1.00 0.00 C ATOM 1038 O SER A 65 39.236 50.275 28.014 1.00 0.00 O ATOM 1039 CB SER A 65 37.090 47.959 28.634 1.00 0.00 C ATOM 1040 OG SER A 65 35.758 47.564 28.871 1.00 0.00 O ATOM 0 H SER A 65 36.136 50.001 27.618 1.00 0.00 H new ATOM 0 HA SER A 65 37.104 49.413 30.235 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.295 47.935 27.564 1.00 0.00 H new ATOM 0 HB3 SER A 65 37.772 47.251 29.105 1.00 0.00 H new ATOM 0 HG SER A 65 35.208 47.784 28.090 1.00 0.00 H new ATOM 1046 N THR A 66 39.669 49.233 29.953 1.00 0.00 N ATOM 1047 CA THR A 66 41.108 49.401 29.945 1.00 0.00 C ATOM 1048 C THR A 66 41.846 48.064 29.861 1.00 0.00 C ATOM 1049 O THR A 66 41.515 47.118 30.571 1.00 0.00 O ATOM 1050 CB THR A 66 41.612 50.189 31.151 1.00 0.00 C ATOM 1051 OG1 THR A 66 40.897 51.395 31.292 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.083 50.572 31.021 1.00 0.00 C ATOM 0 H THR A 66 39.336 48.724 30.772 1.00 0.00 H new ATOM 0 HA THR A 66 41.327 49.976 29.046 1.00 0.00 H new ATOM 0 HB THR A 66 41.472 49.534 32.011 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.233 51.885 32.071 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.393 51.131 31.904 1.00 0.00 H new ATOM 0 HG22 THR A 66 43.688 49.669 30.932 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.221 51.190 30.134 1.00 0.00 H new ATOM 1060 N LEU A 67 42.881 48.000 29.027 1.00 0.00 N ATOM 1061 CA LEU A 67 43.754 46.870 28.787 1.00 0.00 C ATOM 1062 C LEU A 67 45.217 47.272 28.993 1.00 0.00 C ATOM 1063 O LEU A 67 45.527 48.456 29.095 1.00 0.00 O ATOM 1064 CB LEU A 67 43.524 46.343 27.374 1.00 0.00 C ATOM 1065 CG LEU A 67 42.080 46.144 26.923 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.056 45.706 25.461 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.326 45.095 27.735 1.00 0.00 C ATOM 0 H LEU A 67 43.146 48.805 28.460 1.00 0.00 H new ATOM 0 HA LEU A 67 43.525 46.077 29.499 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.003 47.030 26.677 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.040 45.387 27.283 1.00 0.00 H new ATOM 0 HG LEU A 67 41.584 47.103 27.071 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.024 45.564 25.141 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.526 46.472 24.844 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.601 44.768 25.353 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.307 45.007 27.359 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.831 44.133 27.645 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.301 45.395 28.783 1.00 0.00 H new ATOM 1079 N HIS A 68 46.143 46.317 29.007 1.00 0.00 N ATOM 1080 CA HIS A 68 47.569 46.567 29.053 1.00 0.00 C ATOM 1081 C HIS A 68 48.299 45.962 27.852 1.00 0.00 C ATOM 1082 O HIS A 68 47.865 44.950 27.307 1.00 0.00 O ATOM 1083 CB HIS A 68 48.150 46.071 30.375 1.00 0.00 C ATOM 1084 CG HIS A 68 47.763 46.908 31.562 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.589 47.837 32.194 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.556 46.880 32.211 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.866 48.370 33.182 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.646 47.814 33.225 1.00 0.00 N ATOM 0 H HIS A 68 45.910 45.324 28.986 1.00 0.00 H new ATOM 0 HA HIS A 68 47.722 47.645 28.994 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.821 45.045 30.543 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.237 46.049 30.297 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.707 46.255 31.977 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.215 49.141 33.853 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.910 48.042 33.893 1.00 0.00 H new ATOM 1096 N LEU A 69 49.417 46.564 27.455 1.00 0.00 N ATOM 1097 CA LEU A 69 50.279 46.146 26.368 1.00 0.00 C ATOM 1098 C LEU A 69 51.732 46.068 26.839 1.00 0.00 C ATOM 1099 O LEU A 69 52.265 47.042 27.367 1.00 0.00 O ATOM 1100 CB LEU A 69 50.126 47.141 25.221 1.00 0.00 C ATOM 1101 CG LEU A 69 51.119 47.009 24.070 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.973 45.699 23.302 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.926 48.162 23.090 1.00 0.00 C ATOM 0 H LEU A 69 49.760 47.407 27.915 1.00 0.00 H new ATOM 0 HA LEU A 69 49.994 45.151 26.025 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.119 47.043 24.816 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.209 48.148 25.629 1.00 0.00 H new ATOM 0 HG LEU A 69 52.113 47.028 24.516 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.707 45.666 22.497 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.138 44.860 23.978 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.970 45.634 22.881 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.637 48.065 22.269 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.910 48.138 22.695 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.093 49.108 23.604 1.00 0.00 H new ATOM 1115 N VAL A 70 52.393 44.947 26.566 1.00 0.00 N ATOM 1116 CA VAL A 70 53.824 44.770 26.712 1.00 0.00 C ATOM 1117 C VAL A 70 54.437 44.283 25.397 1.00 0.00 C ATOM 1118 O VAL A 70 53.796 43.578 24.620 1.00 0.00 O ATOM 1119 CB VAL A 70 54.199 43.884 27.896 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.657 44.446 29.207 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.728 42.438 27.767 1.00 0.00 C ATOM 0 H VAL A 70 51.924 44.108 26.224 1.00 0.00 H new ATOM 0 HA VAL A 70 54.252 45.745 26.943 1.00 0.00 H new ATOM 0 HB VAL A 70 55.289 43.882 27.898 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.942 43.790 30.030 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.071 45.440 29.375 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.570 44.509 29.154 1.00 0.00 H new ATOM 0 HG21 VAL A 70 54.034 41.875 28.649 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.642 42.415 27.682 1.00 0.00 H new ATOM 0 HG23 VAL A 70 54.171 41.989 26.878 1.00 0.00 H new ATOM 1131 N LEU A 71 55.675 44.685 25.128 1.00 0.00 N ATOM 1132 CA LEU A 71 56.372 44.423 23.885 1.00 0.00 C ATOM 1133 C LEU A 71 57.391 43.288 24.011 1.00 0.00 C ATOM 1134 O LEU A 71 57.913 43.027 25.093 1.00 0.00 O ATOM 1135 CB LEU A 71 57.034 45.700 23.374 1.00 0.00 C ATOM 1136 CG LEU A 71 56.138 46.925 23.229 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.914 48.025 22.511 1.00 0.00 C ATOM 1138 CD2 LEU A 71 54.856 46.644 22.450 1.00 0.00 C ATOM 0 H LEU A 71 56.234 45.219 25.794 1.00 0.00 H new ATOM 0 HA LEU A 71 55.630 44.092 23.158 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.851 45.954 24.050 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.479 45.487 22.402 1.00 0.00 H new ATOM 0 HG LEU A 71 55.847 47.228 24.235 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.281 48.906 22.403 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.799 48.284 23.092 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.217 47.672 21.525 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.264 47.556 22.383 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.108 46.300 21.447 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.280 45.874 22.963 1.00 0.00 H new ATOM 1150 N ARG A 72 57.686 42.627 22.896 1.00 0.00 N ATOM 1151 CA ARG A 72 58.675 41.577 22.750 1.00 0.00 C ATOM 1152 C ARG A 72 59.536 41.839 21.514 1.00 0.00 C ATOM 1153 O ARG A 72 59.401 41.173 20.490 1.00 0.00 O ATOM 1154 CB ARG A 72 57.983 40.218 22.704 1.00 0.00 C ATOM 1155 CG ARG A 72 57.219 39.832 23.968 1.00 0.00 C ATOM 1156 CD ARG A 72 58.127 39.653 25.180 1.00 0.00 C ATOM 1157 NE ARG A 72 57.362 39.294 26.374 1.00 0.00 N ATOM 1158 CZ ARG A 72 56.980 40.127 27.350 1.00 0.00 C ATOM 1159 NH1 ARG A 72 57.223 41.445 27.347 1.00 0.00 N ATOM 1160 NH2 ARG A 72 56.316 39.665 28.419 1.00 0.00 N ATOM 0 H ARG A 72 57.208 42.827 22.018 1.00 0.00 H new ATOM 0 HA ARG A 72 59.343 41.571 23.611 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.289 40.210 21.863 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.734 39.453 22.505 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.477 40.600 24.187 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.675 38.905 23.788 1.00 0.00 H new ATOM 0 HD2 ARG A 72 58.864 38.878 24.972 1.00 0.00 H new ATOM 0 HD3 ARG A 72 58.678 40.576 25.363 1.00 0.00 H new ATOM 0 HE ARG A 72 57.094 38.315 26.472 1.00 0.00 H new ATOM 0 HH11 ARG A 72 57.727 41.869 26.568 1.00 0.00 H new ATOM 0 HH12 ARG A 72 56.904 42.024 28.124 1.00 0.00 H new ATOM 0 HH21 ARG A 72 56.098 38.671 28.494 1.00 0.00 H new ATOM 0 HH22 ARG A 72 56.029 40.307 29.158 1.00 0.00 H new ATOM 1174 N LEU A 73 60.376 42.867 21.595 1.00 0.00 N ATOM 1175 CA LEU A 73 61.198 43.362 20.510 1.00 0.00 C ATOM 1176 C LEU A 73 62.381 42.441 20.204 1.00 0.00 C ATOM 1177 O LEU A 73 62.851 41.692 21.056 1.00 0.00 O ATOM 1178 CB LEU A 73 61.648 44.789 20.811 1.00 0.00 C ATOM 1179 CG LEU A 73 60.535 45.793 21.096 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.138 47.166 21.378 1.00 0.00 C ATOM 1181 CD2 LEU A 73 59.568 45.929 19.923 1.00 0.00 C ATOM 0 H LEU A 73 60.503 43.396 22.458 1.00 0.00 H new ATOM 0 HA LEU A 73 60.591 43.373 19.605 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.318 44.764 21.671 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.230 45.152 19.964 1.00 0.00 H new ATOM 0 HG LEU A 73 59.984 45.422 21.960 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.339 47.879 21.581 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.797 47.103 22.244 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.709 47.498 20.511 1.00 0.00 H new ATOM 0 HD21 LEU A 73 58.793 46.654 20.172 1.00 0.00 H new ATOM 0 HD22 LEU A 73 60.111 46.267 19.041 1.00 0.00 H new ATOM 0 HD23 LEU A 73 59.108 44.963 19.717 1.00 0.00 H new ATOM 1193 N ARG A 74 62.861 42.482 18.964 1.00 0.00 N ATOM 1194 CA ARG A 74 63.800 41.531 18.403 1.00 0.00 C ATOM 1195 C ARG A 74 65.246 41.818 18.811 1.00 0.00 C ATOM 1196 O ARG A 74 65.659 42.976 18.812 1.00 0.00 O ATOM 1197 CB ARG A 74 63.610 41.539 16.889 1.00 0.00 C ATOM 1198 CG ARG A 74 64.119 40.274 16.204 1.00 0.00 C ATOM 1199 CD ARG A 74 63.802 40.358 14.714 1.00 0.00 C ATOM 1200 NE ARG A 74 64.032 39.086 14.028 1.00 0.00 N ATOM 1201 CZ ARG A 74 64.973 38.834 13.107 1.00 0.00 C ATOM 1202 NH1 ARG A 74 66.048 39.618 12.945 1.00 0.00 N ATOM 1203 NH2 ARG A 74 64.813 37.779 12.297 1.00 0.00 N ATOM 0 H ARG A 74 62.592 43.209 18.301 1.00 0.00 H new ATOM 0 HA ARG A 74 63.597 40.536 18.800 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.551 41.663 16.665 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.127 42.402 16.471 1.00 0.00 H new ATOM 0 HG2 ARG A 74 65.193 40.169 16.356 1.00 0.00 H new ATOM 0 HG3 ARG A 74 63.648 39.393 16.641 1.00 0.00 H new ATOM 0 HD2 ARG A 74 62.762 40.658 14.582 1.00 0.00 H new ATOM 0 HD3 ARG A 74 64.418 41.132 14.256 1.00 0.00 H new ATOM 0 HE ARG A 74 63.414 38.313 14.276 1.00 0.00 H new ATOM 0 HH11 ARG A 74 66.172 40.441 13.534 1.00 0.00 H new ATOM 0 HH12 ARG A 74 66.742 39.392 12.232 1.00 0.00 H new ATOM 0 HH21 ARG A 74 63.988 37.186 12.388 1.00 0.00 H new ATOM 0 HH22 ARG A 74 65.516 37.568 11.589 1.00 0.00 H new ATOM 1217 N GLY A 75 66.018 40.775 19.101 1.00 0.00 N ATOM 1218 CA GLY A 75 67.426 40.840 19.440 1.00 0.00 C ATOM 1219 C GLY A 75 67.855 39.792 20.468 1.00 0.00 C ATOM 1220 O GLY A 75 67.167 39.579 21.465 1.00 0.00 O ATOM 0 H GLY A 75 65.658 39.821 19.105 1.00 0.00 H new ATOM 0 HA2 GLY A 75 68.016 40.711 18.533 1.00 0.00 H new ATOM 0 HA3 GLY A 75 67.653 41.833 19.829 1.00 0.00 H new ATOM 1224 N GLY A 76 68.988 39.137 20.232 1.00 0.00 N ATOM 1225 CA GLY A 76 69.521 38.053 21.032 1.00 0.00 C ATOM 1226 C GLY A 76 68.838 36.705 20.796 1.00 0.00 C ATOM 1227 O GLY A 76 68.644 36.331 19.619 1.00 0.00 O ATOM 1228 OXT GLY A 76 68.525 36.022 21.796 1.00 0.00 O ATOM 0 H GLY A 76 69.585 39.364 19.436 1.00 0.00 H new ATOM 0 HA2 GLY A 76 70.585 37.950 20.821 1.00 0.00 H new ATOM 0 HA3 GLY A 76 69.429 38.315 22.086 1.00 0.00 H new TER 1232 GLY A 76