USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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= 0.018 K(o=0.22,f=-0.74) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.202 K(o=0.22,f=-0.32) USER MOD Set 2.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 7 THR OG1 : rot 111:sc= 0.00185 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0284 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -177:sc= 0.751 (180deg=-0.0379) USER MOD Set 4.2: A 12 THR OG1 : rot 160:sc= 0.711 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 2.45 (180deg=2.34) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.0073) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 1.17 (180deg=0.388) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 25 ASN : amide:sc= -0.818 K(o=-0.82,f=-3.1!) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 1.3 (180deg=1.24) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 1.34 (180deg=1.04) USER MOD Single : A 31 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 41 GLN : amide:sc= 0.953 K(o=0.95,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00344 X(o=-0.0034,f=-0.014) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.442 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 84:sc= 1.28 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.913 52.143 19.836 1.00 0.00 N ATOM 2 CA MET A 1 33.160 52.463 21.250 1.00 0.00 C ATOM 3 C MET A 1 34.649 52.730 21.486 1.00 0.00 C ATOM 4 O MET A 1 35.493 52.192 20.773 1.00 0.00 O ATOM 5 CB MET A 1 32.617 51.384 22.181 1.00 0.00 C ATOM 6 CG MET A 1 33.322 50.034 22.077 1.00 0.00 C ATOM 7 SD MET A 1 32.635 48.769 23.174 1.00 0.00 S ATOM 8 CE MET A 1 33.782 47.406 22.857 1.00 0.00 C ATOM 0 H1 MET A 1 31.892 52.015 19.682 1.00 0.00 H new ATOM 0 H2 MET A 1 33.258 52.921 19.239 1.00 0.00 H new ATOM 0 H3 MET A 1 33.414 51.266 19.586 1.00 0.00 H new ATOM 0 HA MET A 1 32.615 53.376 21.489 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.693 51.739 23.209 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.557 51.242 21.970 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.262 49.681 21.047 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.379 50.167 22.307 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.497 46.543 23.459 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.747 47.139 21.801 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.794 47.714 23.120 1.00 0.00 H new ATOM 20 N GLN A 2 34.969 53.528 22.502 1.00 0.00 N ATOM 21 CA GLN A 2 36.321 53.866 22.897 1.00 0.00 C ATOM 22 C GLN A 2 36.890 52.869 23.907 1.00 0.00 C ATOM 23 O GLN A 2 36.215 52.517 24.872 1.00 0.00 O ATOM 24 CB GLN A 2 36.313 55.294 23.437 1.00 0.00 C ATOM 25 CG GLN A 2 37.692 55.800 23.851 1.00 0.00 C ATOM 26 CD GLN A 2 37.722 57.326 23.960 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.629 57.915 25.034 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.849 58.028 22.837 1.00 0.00 N ATOM 0 H GLN A 2 34.263 53.970 23.090 1.00 0.00 H new ATOM 0 HA GLN A 2 36.982 53.808 22.032 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.905 55.959 22.676 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.644 55.345 24.296 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.969 55.361 24.809 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.434 55.472 23.123 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.927 57.547 21.941 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.869 59.047 22.872 1.00 0.00 H new ATOM 37 N ILE A 3 38.145 52.472 23.719 1.00 0.00 N ATOM 38 CA ILE A 3 38.956 51.793 24.709 1.00 0.00 C ATOM 39 C ILE A 3 40.358 52.403 24.769 1.00 0.00 C ATOM 40 O ILE A 3 40.761 53.122 23.857 1.00 0.00 O ATOM 41 CB ILE A 3 39.023 50.284 24.500 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.741 49.889 23.212 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.640 49.649 24.615 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.100 48.408 23.138 1.00 0.00 C ATOM 0 H ILE A 3 38.638 52.623 22.839 1.00 0.00 H new ATOM 0 HA ILE A 3 38.464 51.943 25.670 1.00 0.00 H new ATOM 0 HB ILE A 3 39.636 49.882 25.307 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.108 50.143 22.362 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.652 50.480 23.119 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.720 48.573 24.461 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.231 49.845 25.606 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.980 50.075 23.860 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.607 48.203 22.195 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.759 48.151 23.968 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.191 47.810 23.198 1.00 0.00 H new ATOM 56 N PHE A 4 41.105 52.072 25.818 1.00 0.00 N ATOM 57 CA PHE A 4 42.445 52.563 26.068 1.00 0.00 C ATOM 58 C PHE A 4 43.458 51.424 26.190 1.00 0.00 C ATOM 59 O PHE A 4 43.103 50.317 26.590 1.00 0.00 O ATOM 60 CB PHE A 4 42.447 53.417 27.333 1.00 0.00 C ATOM 61 CG PHE A 4 41.302 54.399 27.419 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.257 55.486 26.538 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.262 54.200 28.335 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.169 56.368 26.575 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.186 55.094 28.384 1.00 0.00 C ATOM 66 CZ PHE A 4 39.134 56.176 27.498 1.00 0.00 C ATOM 0 H PHE A 4 40.777 51.431 26.540 1.00 0.00 H new ATOM 0 HA PHE A 4 42.748 53.170 25.215 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.413 52.760 28.202 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.387 53.966 27.386 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.059 55.644 25.832 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.290 53.354 29.006 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.129 57.200 25.888 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.396 54.949 29.106 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.299 56.860 27.526 1.00 0.00 H new ATOM 76 N VAL A 5 44.728 51.698 25.904 1.00 0.00 N ATOM 77 CA VAL A 5 45.837 50.786 26.092 1.00 0.00 C ATOM 78 C VAL A 5 46.974 51.483 26.841 1.00 0.00 C ATOM 79 O VAL A 5 47.384 52.567 26.431 1.00 0.00 O ATOM 80 CB VAL A 5 46.326 50.205 24.768 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.376 49.122 24.997 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.203 49.585 23.943 1.00 0.00 C ATOM 0 H VAL A 5 45.017 52.598 25.520 1.00 0.00 H new ATOM 0 HA VAL A 5 45.483 49.949 26.695 1.00 0.00 H new ATOM 0 HB VAL A 5 46.748 51.048 24.222 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.706 48.726 24.036 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.228 49.548 25.526 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.945 48.317 25.592 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.611 49.189 23.013 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.739 48.777 24.509 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.456 50.345 23.716 1.00 0.00 H new ATOM 92 N LYS A 6 47.484 50.888 27.915 1.00 0.00 N ATOM 93 CA LYS A 6 48.562 51.408 28.733 1.00 0.00 C ATOM 94 C LYS A 6 49.845 50.580 28.645 1.00 0.00 C ATOM 95 O LYS A 6 49.789 49.353 28.586 1.00 0.00 O ATOM 96 CB LYS A 6 48.115 51.541 30.187 1.00 0.00 C ATOM 97 CG LYS A 6 47.047 52.615 30.376 1.00 0.00 C ATOM 98 CD LYS A 6 46.687 52.835 31.842 1.00 0.00 C ATOM 99 CE LYS A 6 47.709 53.655 32.625 1.00 0.00 C ATOM 100 NZ LYS A 6 47.681 55.072 32.230 1.00 0.00 N ATOM 0 H LYS A 6 47.137 49.989 28.250 1.00 0.00 H new ATOM 0 HA LYS A 6 48.801 52.393 28.333 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.727 50.583 30.533 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.978 51.779 30.809 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.401 53.553 29.948 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.151 52.331 29.824 1.00 0.00 H new ATOM 0 HD2 LYS A 6 45.720 53.335 31.895 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.571 51.865 32.325 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.505 53.570 33.692 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.707 53.249 32.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.422 55.590 32.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.850 55.151 31.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.751 55.478 32.459 1.00 0.00 H new ATOM 114 N THR A 7 50.990 51.256 28.681 1.00 0.00 N ATOM 115 CA THR A 7 52.317 50.673 28.671 1.00 0.00 C ATOM 116 C THR A 7 53.171 51.081 29.874 1.00 0.00 C ATOM 117 O THR A 7 52.932 52.109 30.504 1.00 0.00 O ATOM 118 CB THR A 7 53.059 51.022 27.385 1.00 0.00 C ATOM 119 OG1 THR A 7 53.213 52.420 27.285 1.00 0.00 O ATOM 120 CG2 THR A 7 52.349 50.527 26.129 1.00 0.00 C ATOM 0 H THR A 7 51.012 52.275 28.720 1.00 0.00 H new ATOM 0 HA THR A 7 52.162 49.596 28.731 1.00 0.00 H new ATOM 0 HB THR A 7 54.025 50.520 27.444 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.159 52.653 27.389 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.928 50.807 25.249 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.253 49.442 26.169 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.358 50.977 26.070 1.00 0.00 H new ATOM 128 N LEU A 8 54.179 50.278 30.200 1.00 0.00 N ATOM 129 CA LEU A 8 55.033 50.437 31.360 1.00 0.00 C ATOM 130 C LEU A 8 55.959 51.655 31.330 1.00 0.00 C ATOM 131 O LEU A 8 56.374 52.117 32.390 1.00 0.00 O ATOM 132 CB LEU A 8 55.829 49.154 31.580 1.00 0.00 C ATOM 133 CG LEU A 8 54.996 47.933 31.961 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.868 46.680 31.951 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.373 48.054 33.349 1.00 0.00 C ATOM 0 H LEU A 8 54.429 49.466 29.636 1.00 0.00 H new ATOM 0 HA LEU A 8 54.365 50.629 32.200 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.382 48.927 30.669 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.565 49.331 32.364 1.00 0.00 H new ATOM 0 HG LEU A 8 54.196 47.867 31.224 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.264 45.814 32.224 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.283 46.533 30.954 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.681 46.796 32.668 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.792 47.158 33.567 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.162 48.165 34.093 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.720 48.926 33.380 1.00 0.00 H new ATOM 147 N THR A 9 56.249 52.229 30.166 1.00 0.00 N ATOM 148 CA THR A 9 56.903 53.513 30.010 1.00 0.00 C ATOM 149 C THR A 9 56.018 54.713 30.351 1.00 0.00 C ATOM 150 O THR A 9 56.508 55.840 30.393 1.00 0.00 O ATOM 151 CB THR A 9 57.395 53.712 28.580 1.00 0.00 C ATOM 152 OG1 THR A 9 56.322 53.450 27.705 1.00 0.00 O ATOM 153 CG2 THR A 9 58.560 52.796 28.216 1.00 0.00 C ATOM 0 H THR A 9 56.023 51.790 29.273 1.00 0.00 H new ATOM 0 HA THR A 9 57.730 53.479 30.719 1.00 0.00 H new ATOM 0 HB THR A 9 57.754 54.738 28.493 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.617 53.574 26.779 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.864 52.986 27.187 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.399 52.991 28.884 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.250 51.756 28.317 1.00 0.00 H new ATOM 161 N GLY A 10 54.734 54.500 30.625 1.00 0.00 N ATOM 162 CA GLY A 10 53.789 55.526 31.013 1.00 0.00 C ATOM 163 C GLY A 10 52.945 56.096 29.872 1.00 0.00 C ATOM 164 O GLY A 10 52.243 57.079 30.098 1.00 0.00 O ATOM 0 H GLY A 10 54.314 53.572 30.579 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.120 55.115 31.769 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.336 56.343 31.483 1.00 0.00 H new ATOM 168 N LYS A 11 52.971 55.519 28.674 1.00 0.00 N ATOM 169 CA LYS A 11 52.113 55.929 27.581 1.00 0.00 C ATOM 170 C LYS A 11 50.689 55.407 27.777 1.00 0.00 C ATOM 171 O LYS A 11 50.496 54.321 28.319 1.00 0.00 O ATOM 172 CB LYS A 11 52.706 55.509 26.239 1.00 0.00 C ATOM 173 CG LYS A 11 52.218 56.397 25.098 1.00 0.00 C ATOM 174 CD LYS A 11 52.891 56.047 23.774 1.00 0.00 C ATOM 175 CE LYS A 11 52.409 57.019 22.701 1.00 0.00 C ATOM 176 NZ LYS A 11 53.184 56.899 21.457 1.00 0.00 N ATOM 0 H LYS A 11 53.596 54.748 28.439 1.00 0.00 H new ATOM 0 HA LYS A 11 52.053 57.017 27.577 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.794 55.553 26.293 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.439 54.473 26.032 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.138 56.293 24.994 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.416 57.441 25.341 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.975 56.105 23.875 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.652 55.022 23.489 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.356 56.833 22.491 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.484 58.039 23.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.662 57.349 20.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.104 57.369 21.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.335 55.894 21.237 1.00 0.00 H new ATOM 190 N THR A 12 49.701 56.173 27.320 1.00 0.00 N ATOM 191 CA THR A 12 48.313 55.767 27.217 1.00 0.00 C ATOM 192 C THR A 12 47.794 56.104 25.817 1.00 0.00 C ATOM 193 O THR A 12 48.000 57.208 25.320 1.00 0.00 O ATOM 194 CB THR A 12 47.444 56.407 28.295 1.00 0.00 C ATOM 195 OG1 THR A 12 47.961 56.127 29.577 1.00 0.00 O ATOM 196 CG2 THR A 12 46.012 55.882 28.285 1.00 0.00 C ATOM 0 H THR A 12 49.858 57.129 27.001 1.00 0.00 H new ATOM 0 HA THR A 12 48.256 54.690 27.377 1.00 0.00 H new ATOM 0 HB THR A 12 47.447 57.475 28.078 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.611 56.778 30.220 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.439 56.372 29.073 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.554 56.093 27.319 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.018 54.806 28.457 1.00 0.00 H new ATOM 204 N ILE A 13 47.160 55.131 25.171 1.00 0.00 N ATOM 205 CA ILE A 13 46.792 55.138 23.769 1.00 0.00 C ATOM 206 C ILE A 13 45.276 54.966 23.651 1.00 0.00 C ATOM 207 O ILE A 13 44.731 54.047 24.258 1.00 0.00 O ATOM 208 CB ILE A 13 47.542 54.025 23.044 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.058 54.191 23.108 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.113 53.905 21.584 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.794 52.858 23.029 1.00 0.00 C ATOM 0 H ILE A 13 46.876 54.272 25.642 1.00 0.00 H new ATOM 0 HA ILE A 13 47.066 56.085 23.305 1.00 0.00 H new ATOM 0 HB ILE A 13 47.276 53.110 23.573 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.385 54.832 22.290 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.326 54.696 24.036 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.672 53.101 21.106 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.047 53.685 21.535 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.314 54.844 21.067 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.869 53.032 23.079 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.490 52.225 23.862 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.550 52.363 22.089 1.00 0.00 H new ATOM 223 N THR A 14 44.604 55.791 22.855 1.00 0.00 N ATOM 224 CA THR A 14 43.176 55.712 22.618 1.00 0.00 C ATOM 225 C THR A 14 42.863 55.032 21.284 1.00 0.00 C ATOM 226 O THR A 14 43.421 55.415 20.259 1.00 0.00 O ATOM 227 CB THR A 14 42.530 57.094 22.675 1.00 0.00 C ATOM 228 OG1 THR A 14 42.703 57.680 23.946 1.00 0.00 O ATOM 229 CG2 THR A 14 41.019 57.054 22.465 1.00 0.00 C ATOM 0 H THR A 14 45.054 56.552 22.346 1.00 0.00 H new ATOM 0 HA THR A 14 42.752 55.101 23.415 1.00 0.00 H new ATOM 0 HB THR A 14 43.016 57.659 21.880 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.282 58.565 23.958 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.618 58.066 22.517 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.799 56.626 21.487 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.560 56.442 23.241 1.00 0.00 H new ATOM 237 N LEU A 15 41.943 54.070 21.279 1.00 0.00 N ATOM 238 CA LEU A 15 41.493 53.345 20.108 1.00 0.00 C ATOM 239 C LEU A 15 39.985 53.470 19.882 1.00 0.00 C ATOM 240 O LEU A 15 39.236 53.838 20.783 1.00 0.00 O ATOM 241 CB LEU A 15 41.895 51.879 20.240 1.00 0.00 C ATOM 242 CG LEU A 15 43.387 51.586 20.368 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.590 50.086 20.555 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.185 52.012 19.139 1.00 0.00 C ATOM 0 H LEU A 15 41.474 53.766 22.132 1.00 0.00 H new ATOM 0 HA LEU A 15 41.974 53.787 19.235 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.391 51.465 21.113 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.516 51.343 19.370 1.00 0.00 H new ATOM 0 HG LEU A 15 43.746 52.158 21.224 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.655 49.872 20.647 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.075 49.759 21.458 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.186 49.554 19.694 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.239 51.778 19.290 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.817 51.478 18.263 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.070 53.085 18.985 1.00 0.00 H new ATOM 256 N GLU A 16 39.524 53.122 18.684 1.00 0.00 N ATOM 257 CA GLU A 16 38.125 52.982 18.332 1.00 0.00 C ATOM 258 C GLU A 16 37.844 51.547 17.884 1.00 0.00 C ATOM 259 O GLU A 16 38.447 51.028 16.948 1.00 0.00 O ATOM 260 CB GLU A 16 37.730 54.016 17.282 1.00 0.00 C ATOM 261 CG GLU A 16 36.385 54.694 17.530 1.00 0.00 C ATOM 262 CD GLU A 16 35.161 53.803 17.316 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.223 53.876 18.140 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.075 53.075 16.304 1.00 0.00 O ATOM 0 H GLU A 16 40.147 52.922 17.902 1.00 0.00 H new ATOM 0 HA GLU A 16 37.505 53.176 19.207 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.505 54.782 17.236 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.703 53.531 16.306 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.368 55.069 18.553 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.305 55.559 16.872 1.00 0.00 H new ATOM 271 N VAL A 17 36.944 50.873 18.595 1.00 0.00 N ATOM 272 CA VAL A 17 36.677 49.455 18.455 1.00 0.00 C ATOM 273 C VAL A 17 35.177 49.153 18.445 1.00 0.00 C ATOM 274 O VAL A 17 34.346 50.033 18.664 1.00 0.00 O ATOM 275 CB VAL A 17 37.392 48.640 19.527 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.906 48.820 19.482 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.888 48.941 20.936 1.00 0.00 C ATOM 0 H VAL A 17 36.365 51.319 19.306 1.00 0.00 H new ATOM 0 HA VAL A 17 37.077 49.154 17.486 1.00 0.00 H new ATOM 0 HB VAL A 17 37.156 47.602 19.294 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.367 48.219 20.265 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.282 48.500 18.510 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.152 49.870 19.638 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.434 48.331 21.656 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.045 49.996 21.161 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.824 48.711 20.999 1.00 0.00 H new ATOM 287 N GLU A 18 34.823 47.896 18.195 1.00 0.00 N ATOM 288 CA GLU A 18 33.464 47.401 18.102 1.00 0.00 C ATOM 289 C GLU A 18 33.384 46.030 18.776 1.00 0.00 C ATOM 290 O GLU A 18 34.375 45.307 18.722 1.00 0.00 O ATOM 291 CB GLU A 18 33.135 47.362 16.612 1.00 0.00 C ATOM 292 CG GLU A 18 31.711 46.965 16.233 1.00 0.00 C ATOM 293 CD GLU A 18 31.515 47.304 14.755 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.936 46.513 13.883 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.034 48.417 14.455 1.00 0.00 O ATOM 0 H GLU A 18 35.516 47.162 18.045 1.00 0.00 H new ATOM 0 HA GLU A 18 32.737 48.031 18.614 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.336 48.348 16.194 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.822 46.666 16.130 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.551 45.901 16.406 1.00 0.00 H new ATOM 0 HG3 GLU A 18 30.988 47.500 16.848 1.00 0.00 H new ATOM 302 N PRO A 19 32.288 45.629 19.416 1.00 0.00 N ATOM 303 CA PRO A 19 32.263 44.420 20.213 1.00 0.00 C ATOM 304 C PRO A 19 32.638 43.128 19.484 1.00 0.00 C ATOM 305 O PRO A 19 33.167 42.211 20.109 1.00 0.00 O ATOM 306 CB PRO A 19 30.854 44.333 20.794 1.00 0.00 C ATOM 307 CG PRO A 19 30.424 45.794 20.883 1.00 0.00 C ATOM 308 CD PRO A 19 31.082 46.398 19.646 1.00 0.00 C ATOM 0 HA PRO A 19 33.040 44.498 20.973 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.189 43.756 20.152 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.851 43.852 21.772 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.340 45.902 20.861 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.773 46.266 21.802 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.416 46.345 18.785 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.315 47.451 19.804 1.00 0.00 H new ATOM 316 N SER A 20 32.405 43.045 18.177 1.00 0.00 N ATOM 317 CA SER A 20 32.784 41.911 17.357 1.00 0.00 C ATOM 318 C SER A 20 34.203 41.974 16.787 1.00 0.00 C ATOM 319 O SER A 20 34.587 41.064 16.057 1.00 0.00 O ATOM 320 CB SER A 20 31.776 41.692 16.233 1.00 0.00 C ATOM 321 OG SER A 20 30.479 41.493 16.749 1.00 0.00 O ATOM 0 H SER A 20 31.937 43.784 17.652 1.00 0.00 H new ATOM 0 HA SER A 20 32.778 41.060 18.038 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.777 42.554 15.565 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.071 40.828 15.638 1.00 0.00 H new ATOM 0 HG SER A 20 29.850 41.357 16.010 1.00 0.00 H new ATOM 327 N ASP A 21 35.000 42.996 17.087 1.00 0.00 N ATOM 328 CA ASP A 21 36.382 43.067 16.659 1.00 0.00 C ATOM 329 C ASP A 21 37.227 41.965 17.301 1.00 0.00 C ATOM 330 O ASP A 21 37.082 41.640 18.477 1.00 0.00 O ATOM 331 CB ASP A 21 37.004 44.433 16.935 1.00 0.00 C ATOM 332 CG ASP A 21 36.527 45.580 16.042 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.865 45.334 15.010 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.858 46.743 16.358 1.00 0.00 O ATOM 0 H ASP A 21 34.697 43.800 17.637 1.00 0.00 H new ATOM 0 HA ASP A 21 36.375 42.915 15.580 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.802 44.699 17.973 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.086 44.345 16.833 1.00 0.00 H new ATOM 339 N THR A 22 38.131 41.391 16.513 1.00 0.00 N ATOM 340 CA THR A 22 39.089 40.381 16.914 1.00 0.00 C ATOM 341 C THR A 22 40.357 40.991 17.514 1.00 0.00 C ATOM 342 O THR A 22 40.737 42.114 17.194 1.00 0.00 O ATOM 343 CB THR A 22 39.478 39.477 15.748 1.00 0.00 C ATOM 344 OG1 THR A 22 39.941 40.245 14.660 1.00 0.00 O ATOM 345 CG2 THR A 22 38.309 38.626 15.263 1.00 0.00 C ATOM 0 H THR A 22 38.215 41.635 15.526 1.00 0.00 H new ATOM 0 HA THR A 22 38.590 39.787 17.680 1.00 0.00 H new ATOM 0 HB THR A 22 40.265 38.819 16.118 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.188 39.650 13.921 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.635 38.000 14.433 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.956 37.994 16.078 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.499 39.276 14.931 1.00 0.00 H new ATOM 353 N ILE A 23 41.080 40.219 18.322 1.00 0.00 N ATOM 354 CA ILE A 23 42.382 40.618 18.817 1.00 0.00 C ATOM 355 C ILE A 23 43.394 40.759 17.679 1.00 0.00 C ATOM 356 O ILE A 23 44.215 41.674 17.714 1.00 0.00 O ATOM 357 CB ILE A 23 42.816 39.674 19.934 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.865 39.664 21.127 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.247 39.927 20.398 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.584 41.016 21.778 1.00 0.00 C ATOM 0 H ILE A 23 40.775 39.302 18.648 1.00 0.00 H new ATOM 0 HA ILE A 23 42.323 41.614 19.256 1.00 0.00 H new ATOM 0 HB ILE A 23 42.777 38.682 19.483 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.916 39.235 20.805 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.275 38.997 21.886 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.501 39.226 21.193 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.931 39.789 19.561 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.333 40.947 20.772 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.896 40.882 22.613 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.517 41.445 22.142 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.138 41.687 21.044 1.00 0.00 H new ATOM 372 N GLU A 24 43.278 39.966 16.617 1.00 0.00 N ATOM 373 CA GLU A 24 44.002 40.112 15.369 1.00 0.00 C ATOM 374 C GLU A 24 43.864 41.513 14.770 1.00 0.00 C ATOM 375 O GLU A 24 44.856 42.130 14.388 1.00 0.00 O ATOM 376 CB GLU A 24 43.464 39.043 14.424 1.00 0.00 C ATOM 377 CG GLU A 24 44.048 38.972 13.016 1.00 0.00 C ATOM 378 CD GLU A 24 45.418 38.293 12.956 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.425 38.986 12.690 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.502 37.057 13.118 1.00 0.00 O ATOM 0 H GLU A 24 42.644 39.167 16.609 1.00 0.00 H new ATOM 0 HA GLU A 24 45.071 39.983 15.540 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.614 38.073 14.897 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.388 39.189 14.332 1.00 0.00 H new ATOM 0 HG2 GLU A 24 43.355 38.432 12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.134 39.982 12.616 1.00 0.00 H new ATOM 387 N ASN A 25 42.650 42.057 14.740 1.00 0.00 N ATOM 388 CA ASN A 25 42.343 43.387 14.257 1.00 0.00 C ATOM 389 C ASN A 25 42.825 44.481 15.212 1.00 0.00 C ATOM 390 O ASN A 25 43.456 45.440 14.774 1.00 0.00 O ATOM 391 CB ASN A 25 40.841 43.413 13.986 1.00 0.00 C ATOM 392 CG ASN A 25 40.223 44.739 13.541 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.870 45.735 13.222 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.894 44.777 13.512 1.00 0.00 N ATOM 0 H ASN A 25 41.824 41.556 15.067 1.00 0.00 H new ATOM 0 HA ASN A 25 42.882 43.607 13.336 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.625 42.668 13.220 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.331 43.093 14.894 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.414 45.630 13.226 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.354 43.953 13.776 1.00 0.00 H new ATOM 401 N VAL A 26 42.629 44.328 16.518 1.00 0.00 N ATOM 402 CA VAL A 26 43.112 45.273 17.504 1.00 0.00 C ATOM 403 C VAL A 26 44.633 45.431 17.446 1.00 0.00 C ATOM 404 O VAL A 26 45.125 46.558 17.453 1.00 0.00 O ATOM 405 CB VAL A 26 42.633 44.909 18.906 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.247 45.781 19.997 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.119 45.082 18.998 1.00 0.00 C ATOM 0 H VAL A 26 42.126 43.537 16.919 1.00 0.00 H new ATOM 0 HA VAL A 26 42.684 46.245 17.257 1.00 0.00 H new ATOM 0 HB VAL A 26 42.941 43.876 19.067 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.865 45.470 20.969 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.332 45.673 19.982 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.984 46.824 19.820 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.783 44.821 20.001 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.858 46.119 18.787 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.634 44.430 18.272 1.00 0.00 H new ATOM 417 N LYS A 27 45.383 44.347 17.275 1.00 0.00 N ATOM 418 CA LYS A 27 46.819 44.388 17.085 1.00 0.00 C ATOM 419 C LYS A 27 47.234 45.132 15.815 1.00 0.00 C ATOM 420 O LYS A 27 48.238 45.841 15.828 1.00 0.00 O ATOM 421 CB LYS A 27 47.371 42.965 17.091 1.00 0.00 C ATOM 422 CG LYS A 27 47.345 42.334 18.480 1.00 0.00 C ATOM 423 CD LYS A 27 47.629 40.835 18.458 1.00 0.00 C ATOM 424 CE LYS A 27 48.946 40.523 17.753 1.00 0.00 C ATOM 425 NZ LYS A 27 49.236 39.080 17.737 1.00 0.00 N ATOM 0 H LYS A 27 44.998 43.402 17.265 1.00 0.00 H new ATOM 0 HA LYS A 27 47.246 44.953 17.914 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.789 42.350 16.405 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.395 42.975 16.719 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.082 42.829 19.112 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.369 42.507 18.934 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.664 40.456 19.479 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.814 40.317 17.953 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.906 40.896 16.730 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.758 41.050 18.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.065 38.899 17.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.434 38.755 18.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.415 38.565 17.360 1.00 0.00 H new ATOM 439 N ALA A 28 46.452 45.045 14.743 1.00 0.00 N ATOM 440 CA ALA A 28 46.657 45.820 13.535 1.00 0.00 C ATOM 441 C ALA A 28 46.341 47.307 13.715 1.00 0.00 C ATOM 442 O ALA A 28 47.084 48.146 13.211 1.00 0.00 O ATOM 443 CB ALA A 28 45.850 45.210 12.393 1.00 0.00 C ATOM 0 H ALA A 28 45.646 44.422 14.694 1.00 0.00 H new ATOM 0 HA ALA A 28 47.718 45.775 13.290 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.005 45.794 11.486 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.176 44.184 12.225 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.791 45.216 12.652 1.00 0.00 H new ATOM 449 N LYS A 29 45.305 47.658 14.470 1.00 0.00 N ATOM 450 CA LYS A 29 44.990 49.022 14.841 1.00 0.00 C ATOM 451 C LYS A 29 46.108 49.670 15.660 1.00 0.00 C ATOM 452 O LYS A 29 46.369 50.859 15.485 1.00 0.00 O ATOM 453 CB LYS A 29 43.657 49.083 15.582 1.00 0.00 C ATOM 454 CG LYS A 29 42.447 48.833 14.686 1.00 0.00 C ATOM 455 CD LYS A 29 41.142 48.837 15.475 1.00 0.00 C ATOM 456 CE LYS A 29 39.956 48.649 14.532 1.00 0.00 C ATOM 457 NZ LYS A 29 38.659 48.718 15.222 1.00 0.00 N ATOM 0 H LYS A 29 44.646 46.978 14.849 1.00 0.00 H new ATOM 0 HA LYS A 29 44.900 49.598 13.920 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.663 48.345 16.384 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.556 50.062 16.050 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.405 49.599 13.912 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.562 47.874 14.180 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.155 48.040 16.218 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.039 49.777 16.018 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.990 49.414 13.756 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.045 47.684 14.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.905 48.890 14.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.479 47.819 15.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.675 49.494 15.915 1.00 0.00 H new ATOM 471 N ILE A 30 46.792 48.892 16.494 1.00 0.00 N ATOM 472 CA ILE A 30 47.979 49.288 17.224 1.00 0.00 C ATOM 473 C ILE A 30 49.195 49.427 16.306 1.00 0.00 C ATOM 474 O ILE A 30 49.926 50.405 16.445 1.00 0.00 O ATOM 475 CB ILE A 30 48.226 48.347 18.399 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.112 48.483 19.433 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.569 48.613 19.072 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.060 47.362 20.468 1.00 0.00 C ATOM 0 H ILE A 30 46.517 47.928 16.683 1.00 0.00 H new ATOM 0 HA ILE A 30 47.808 50.281 17.639 1.00 0.00 H new ATOM 0 HB ILE A 30 48.239 47.334 17.998 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.232 49.433 19.953 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.155 48.523 18.913 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.703 47.920 19.903 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.372 48.472 18.349 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.592 49.637 19.446 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.238 47.544 21.160 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.906 46.408 19.964 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.999 47.333 21.020 1.00 0.00 H new ATOM 490 N GLN A 31 49.407 48.539 15.338 1.00 0.00 N ATOM 491 CA GLN A 31 50.493 48.677 14.387 1.00 0.00 C ATOM 492 C GLN A 31 50.360 49.940 13.533 1.00 0.00 C ATOM 493 O GLN A 31 51.366 50.586 13.249 1.00 0.00 O ATOM 494 CB GLN A 31 50.641 47.440 13.507 1.00 0.00 C ATOM 495 CG GLN A 31 51.926 47.533 12.690 1.00 0.00 C ATOM 496 CD GLN A 31 52.240 46.315 11.820 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.387 45.527 11.417 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.511 46.110 11.483 1.00 0.00 N ATOM 0 H GLN A 31 48.831 47.709 15.196 1.00 0.00 H new ATOM 0 HA GLN A 31 51.404 48.777 14.978 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.658 46.543 14.126 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.782 47.352 12.841 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.865 48.411 12.047 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.760 47.695 13.373 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.234 46.752 11.807 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.762 45.311 10.901 1.00 0.00 H new ATOM 507 N ASP A 32 49.145 50.335 13.162 1.00 0.00 N ATOM 508 CA ASP A 32 48.923 51.611 12.514 1.00 0.00 C ATOM 509 C ASP A 32 49.327 52.770 13.427 1.00 0.00 C ATOM 510 O ASP A 32 50.190 53.565 13.061 1.00 0.00 O ATOM 511 CB ASP A 32 47.474 51.746 12.052 1.00 0.00 C ATOM 512 CG ASP A 32 47.238 53.125 11.432 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.827 53.405 10.366 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.537 53.953 12.054 1.00 0.00 O ATOM 0 H ASP A 32 48.300 49.782 13.303 1.00 0.00 H new ATOM 0 HA ASP A 32 49.558 51.653 11.629 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.244 50.969 11.323 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.801 51.600 12.897 1.00 0.00 H new ATOM 519 N LYS A 33 48.744 52.855 14.620 1.00 0.00 N ATOM 520 CA LYS A 33 48.900 54.007 15.484 1.00 0.00 C ATOM 521 C LYS A 33 50.306 54.153 16.069 1.00 0.00 C ATOM 522 O LYS A 33 50.780 55.283 16.159 1.00 0.00 O ATOM 523 CB LYS A 33 47.815 54.007 16.557 1.00 0.00 C ATOM 524 CG LYS A 33 47.728 55.282 17.391 1.00 0.00 C ATOM 525 CD LYS A 33 47.441 56.535 16.568 1.00 0.00 C ATOM 526 CE LYS A 33 47.092 57.743 17.434 1.00 0.00 C ATOM 527 NZ LYS A 33 48.260 58.342 18.098 1.00 0.00 N ATOM 0 H LYS A 33 48.151 52.122 15.009 1.00 0.00 H new ATOM 0 HA LYS A 33 48.773 54.894 14.864 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.851 53.839 16.077 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.988 53.165 17.227 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.945 55.163 18.140 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.666 55.418 17.929 1.00 0.00 H new ATOM 0 HD2 LYS A 33 48.313 56.771 15.957 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.617 56.334 15.883 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.609 58.498 16.814 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.368 57.441 18.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 47.955 59.156 18.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 48.709 57.635 18.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 48.943 58.659 17.380 1.00 0.00 H new ATOM 541 N GLU A 34 50.977 53.065 16.435 1.00 0.00 N ATOM 542 CA GLU A 34 52.226 53.075 17.171 1.00 0.00 C ATOM 543 C GLU A 34 53.420 52.458 16.441 1.00 0.00 C ATOM 544 O GLU A 34 54.544 52.581 16.923 1.00 0.00 O ATOM 545 CB GLU A 34 52.013 52.353 18.498 1.00 0.00 C ATOM 546 CG GLU A 34 51.107 53.085 19.483 1.00 0.00 C ATOM 547 CD GLU A 34 51.734 54.384 19.994 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.936 54.389 20.333 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.052 55.431 20.031 1.00 0.00 O ATOM 0 H GLU A 34 50.651 52.123 16.218 1.00 0.00 H new ATOM 0 HA GLU A 34 52.488 54.124 17.308 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.589 51.369 18.297 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.983 52.192 18.968 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.155 53.309 19.001 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.890 52.432 20.328 1.00 0.00 H new ATOM 556 N GLY A 35 53.217 51.771 15.320 1.00 0.00 N ATOM 557 CA GLY A 35 54.287 51.151 14.566 1.00 0.00 C ATOM 558 C GLY A 35 54.839 49.853 15.160 1.00 0.00 C ATOM 559 O GLY A 35 55.834 49.337 14.658 1.00 0.00 O ATOM 0 H GLY A 35 52.293 51.631 14.911 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.927 50.946 13.558 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.105 51.865 14.473 1.00 0.00 H new ATOM 563 N ILE A 36 54.220 49.317 16.209 1.00 0.00 N ATOM 564 CA ILE A 36 54.660 48.136 16.924 1.00 0.00 C ATOM 565 C ILE A 36 54.215 46.884 16.166 1.00 0.00 C ATOM 566 O ILE A 36 53.011 46.691 16.015 1.00 0.00 O ATOM 567 CB ILE A 36 54.130 48.132 18.355 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.515 49.380 19.143 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.646 46.903 19.097 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.626 49.623 20.359 1.00 0.00 C ATOM 0 H ILE A 36 53.364 49.715 16.595 1.00 0.00 H new ATOM 0 HA ILE A 36 55.748 48.143 16.983 1.00 0.00 H new ATOM 0 HB ILE A 36 53.043 48.114 18.279 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.551 49.289 19.471 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.464 50.247 18.485 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.264 46.907 20.118 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.308 46.001 18.586 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.736 46.921 19.118 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.954 50.526 20.875 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.592 49.745 20.035 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.696 48.772 21.037 1.00 0.00 H new ATOM 582 N PRO A 37 55.109 46.002 15.726 1.00 0.00 N ATOM 583 CA PRO A 37 54.739 44.815 14.983 1.00 0.00 C ATOM 584 C PRO A 37 53.850 43.865 15.788 1.00 0.00 C ATOM 585 O PRO A 37 54.189 43.577 16.934 1.00 0.00 O ATOM 586 CB PRO A 37 56.041 44.131 14.573 1.00 0.00 C ATOM 587 CG PRO A 37 57.040 45.284 14.564 1.00 0.00 C ATOM 588 CD PRO A 37 56.552 46.134 15.734 1.00 0.00 C ATOM 0 HA PRO A 37 54.144 45.096 14.114 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.329 43.352 15.279 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.959 43.659 13.594 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.064 44.938 14.709 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.020 45.834 13.623 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.974 45.785 16.677 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.853 47.175 15.616 1.00 0.00 H new ATOM 596 N PRO A 38 52.758 43.337 15.240 1.00 0.00 N ATOM 597 CA PRO A 38 51.826 42.472 15.934 1.00 0.00 C ATOM 598 C PRO A 38 52.446 41.271 16.650 1.00 0.00 C ATOM 599 O PRO A 38 52.062 40.982 17.781 1.00 0.00 O ATOM 600 CB PRO A 38 50.824 42.037 14.868 1.00 0.00 C ATOM 601 CG PRO A 38 50.731 43.274 13.978 1.00 0.00 C ATOM 602 CD PRO A 38 52.180 43.754 13.979 1.00 0.00 C ATOM 0 HA PRO A 38 51.370 43.021 16.758 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.173 41.165 14.315 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.859 41.775 15.301 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.379 43.033 12.975 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.050 44.022 14.384 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.730 43.325 13.141 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.228 44.838 13.871 1.00 0.00 H new ATOM 610 N ASP A 39 53.461 40.634 16.071 1.00 0.00 N ATOM 611 CA ASP A 39 54.182 39.533 16.677 1.00 0.00 C ATOM 612 C ASP A 39 54.910 39.905 17.970 1.00 0.00 C ATOM 613 O ASP A 39 55.151 39.048 18.817 1.00 0.00 O ATOM 614 CB ASP A 39 55.179 39.021 15.641 1.00 0.00 C ATOM 615 CG ASP A 39 56.016 37.846 16.151 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.455 36.755 16.390 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.249 38.002 16.279 1.00 0.00 O ATOM 0 H ASP A 39 53.808 40.880 15.144 1.00 0.00 H new ATOM 0 HA ASP A 39 53.460 38.769 16.965 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.639 38.714 14.745 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.843 39.835 15.350 1.00 0.00 H new ATOM 622 N GLN A 40 55.248 41.180 18.141 1.00 0.00 N ATOM 623 CA GLN A 40 55.992 41.722 19.260 1.00 0.00 C ATOM 624 C GLN A 40 55.090 42.349 20.326 1.00 0.00 C ATOM 625 O GLN A 40 55.590 42.828 21.342 1.00 0.00 O ATOM 626 CB GLN A 40 57.045 42.689 18.722 1.00 0.00 C ATOM 627 CG GLN A 40 58.112 41.988 17.888 1.00 0.00 C ATOM 628 CD GLN A 40 58.817 42.920 16.901 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.132 44.075 17.180 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.060 42.462 15.677 1.00 0.00 N ATOM 0 H GLN A 40 54.993 41.897 17.462 1.00 0.00 H new ATOM 0 HA GLN A 40 56.495 40.908 19.781 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.557 43.451 18.115 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.521 43.203 19.557 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.854 41.548 18.555 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.652 41.168 17.337 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.804 41.506 15.430 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.502 43.067 14.985 1.00 0.00 H new ATOM 639 N GLN A 41 53.775 42.312 20.132 1.00 0.00 N ATOM 640 CA GLN A 41 52.763 42.733 21.079 1.00 0.00 C ATOM 641 C GLN A 41 52.275 41.549 21.915 1.00 0.00 C ATOM 642 O GLN A 41 52.163 40.438 21.401 1.00 0.00 O ATOM 643 CB GLN A 41 51.574 43.358 20.353 1.00 0.00 C ATOM 644 CG GLN A 41 51.869 44.579 19.485 1.00 0.00 C ATOM 645 CD GLN A 41 50.634 45.062 18.723 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.496 44.945 19.172 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.771 45.617 17.523 1.00 0.00 N ATOM 0 H GLN A 41 53.371 41.968 19.261 1.00 0.00 H new ATOM 0 HA GLN A 41 53.215 43.475 21.738 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.119 42.594 19.723 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.830 43.641 21.098 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.244 45.387 20.114 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.659 44.335 18.775 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.700 45.731 17.117 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.947 45.929 17.008 1.00 0.00 H new ATOM 656 N ARG A 42 51.919 41.786 23.175 1.00 0.00 N ATOM 657 CA ARG A 42 51.099 40.923 24.001 1.00 0.00 C ATOM 658 C ARG A 42 50.093 41.767 24.787 1.00 0.00 C ATOM 659 O ARG A 42 50.493 42.689 25.495 1.00 0.00 O ATOM 660 CB ARG A 42 51.967 40.133 24.976 1.00 0.00 C ATOM 661 CG ARG A 42 52.996 39.178 24.377 1.00 0.00 C ATOM 662 CD ARG A 42 52.358 37.994 23.656 1.00 0.00 C ATOM 663 NE ARG A 42 53.358 37.046 23.162 1.00 0.00 N ATOM 664 CZ ARG A 42 54.065 37.137 22.027 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.994 38.208 21.225 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.875 36.130 21.674 1.00 0.00 N ATOM 0 H ARG A 42 52.213 42.630 23.667 1.00 0.00 H new ATOM 0 HA ARG A 42 50.569 40.224 23.354 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.495 40.844 25.611 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.308 39.556 25.624 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.628 39.725 23.678 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.645 38.807 25.170 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.677 37.481 24.335 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.760 38.358 22.820 1.00 0.00 H new ATOM 0 HE ARG A 42 53.536 36.228 23.744 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.387 38.990 21.471 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.547 38.242 20.369 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.949 35.304 22.267 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.417 36.190 20.812 1.00 0.00 H new ATOM 680 N LEU A 43 48.802 41.471 24.671 1.00 0.00 N ATOM 681 CA LEU A 43 47.729 42.190 25.328 1.00 0.00 C ATOM 682 C LEU A 43 47.238 41.435 26.564 1.00 0.00 C ATOM 683 O LEU A 43 46.977 40.235 26.498 1.00 0.00 O ATOM 684 CB LEU A 43 46.592 42.471 24.348 1.00 0.00 C ATOM 685 CG LEU A 43 46.765 43.600 23.336 1.00 0.00 C ATOM 686 CD1 LEU A 43 47.001 44.952 24.003 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.876 43.366 22.317 1.00 0.00 C ATOM 0 H LEU A 43 48.469 40.697 24.096 1.00 0.00 H new ATOM 0 HA LEU A 43 48.116 43.150 25.670 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.400 41.554 23.792 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.696 42.683 24.932 1.00 0.00 H new ATOM 0 HG LEU A 43 45.815 43.609 22.802 1.00 0.00 H new ATOM 0 HD11 LEU A 43 47.117 45.720 23.238 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.150 45.198 24.638 1.00 0.00 H new ATOM 0 HD13 LEU A 43 47.905 44.905 24.611 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.930 44.216 21.636 1.00 0.00 H new ATOM 0 HD22 LEU A 43 48.828 43.255 22.836 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.664 42.460 21.750 1.00 0.00 H new ATOM 699 N ILE A 44 47.081 42.146 27.677 1.00 0.00 N ATOM 700 CA ILE A 44 46.703 41.635 28.978 1.00 0.00 C ATOM 701 C ILE A 44 45.430 42.333 29.465 1.00 0.00 C ATOM 702 O ILE A 44 45.348 43.559 29.440 1.00 0.00 O ATOM 703 CB ILE A 44 47.838 41.802 29.984 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.227 41.392 29.501 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.503 41.072 31.282 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.397 39.914 29.162 1.00 0.00 C ATOM 0 H ILE A 44 47.225 43.156 27.688 1.00 0.00 H new ATOM 0 HA ILE A 44 46.501 40.568 28.886 1.00 0.00 H new ATOM 0 HB ILE A 44 47.905 42.878 30.142 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.473 41.980 28.617 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.952 41.656 30.271 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.320 41.198 31.992 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.587 41.485 31.706 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.362 40.011 31.077 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.419 39.732 28.830 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.190 39.312 30.047 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.703 39.641 28.367 1.00 0.00 H new ATOM 718 N PHE A 45 44.446 41.564 29.920 1.00 0.00 N ATOM 719 CA PHE A 45 43.208 42.068 30.480 1.00 0.00 C ATOM 720 C PHE A 45 42.587 41.088 31.478 1.00 0.00 C ATOM 721 O PHE A 45 42.414 39.912 31.167 1.00 0.00 O ATOM 722 CB PHE A 45 42.230 42.360 29.346 1.00 0.00 C ATOM 723 CG PHE A 45 40.950 43.043 29.766 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.983 44.376 30.192 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.724 42.370 29.697 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.794 45.037 30.525 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.537 43.025 30.048 1.00 0.00 C ATOM 728 CZ PHE A 45 38.568 44.365 30.449 1.00 0.00 C ATOM 0 H PHE A 45 44.494 40.545 29.907 1.00 0.00 H new ATOM 0 HA PHE A 45 43.429 42.983 31.029 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.731 42.984 28.606 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.978 41.421 28.853 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.927 44.896 30.264 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.694 41.341 29.371 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.823 46.069 30.842 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.597 42.495 30.009 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.651 44.878 30.699 1.00 0.00 H new ATOM 738 N ALA A 46 42.207 41.572 32.658 1.00 0.00 N ATOM 739 CA ALA A 46 41.503 40.855 33.703 1.00 0.00 C ATOM 740 C ALA A 46 42.078 39.480 34.048 1.00 0.00 C ATOM 741 O ALA A 46 41.351 38.504 34.215 1.00 0.00 O ATOM 742 CB ALA A 46 40.009 40.873 33.399 1.00 0.00 C ATOM 0 H ALA A 46 42.398 42.539 32.921 1.00 0.00 H new ATOM 0 HA ALA A 46 41.663 41.385 34.642 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.472 40.336 34.181 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.658 41.904 33.361 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.827 40.392 32.438 1.00 0.00 H new ATOM 748 N GLY A 47 43.403 39.389 34.133 1.00 0.00 N ATOM 749 CA GLY A 47 44.145 38.191 34.467 1.00 0.00 C ATOM 750 C GLY A 47 44.294 37.171 33.335 1.00 0.00 C ATOM 751 O GLY A 47 44.637 36.025 33.616 1.00 0.00 O ATOM 0 H GLY A 47 44.011 40.190 33.962 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.140 38.483 34.803 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.654 37.704 35.309 1.00 0.00 H new ATOM 755 N LYS A 48 44.041 37.543 32.083 1.00 0.00 N ATOM 756 CA LYS A 48 44.261 36.733 30.904 1.00 0.00 C ATOM 757 C LYS A 48 45.204 37.437 29.925 1.00 0.00 C ATOM 758 O LYS A 48 45.100 38.649 29.752 1.00 0.00 O ATOM 759 CB LYS A 48 42.937 36.425 30.209 1.00 0.00 C ATOM 760 CG LYS A 48 41.850 35.775 31.059 1.00 0.00 C ATOM 761 CD LYS A 48 42.179 34.351 31.499 1.00 0.00 C ATOM 762 CE LYS A 48 41.017 33.798 32.319 1.00 0.00 C ATOM 763 NZ LYS A 48 41.280 32.429 32.787 1.00 0.00 N ATOM 0 H LYS A 48 43.659 38.462 31.860 1.00 0.00 H new ATOM 0 HA LYS A 48 44.722 35.798 31.224 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.541 37.356 29.805 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.142 35.771 29.361 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.679 36.388 31.944 1.00 0.00 H new ATOM 0 HG3 LYS A 48 40.918 35.764 30.494 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.357 33.721 30.628 1.00 0.00 H new ATOM 0 HD3 LYS A 48 43.094 34.343 32.091 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.836 34.447 33.176 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.109 33.807 31.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 40.467 32.089 33.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 41.427 31.805 31.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 42.132 32.424 33.384 1.00 0.00 H new ATOM 777 N GLN A 49 46.052 36.679 29.234 1.00 0.00 N ATOM 778 CA GLN A 49 46.689 37.123 28.011 1.00 0.00 C ATOM 779 C GLN A 49 45.756 36.831 26.835 1.00 0.00 C ATOM 780 O GLN A 49 45.188 35.745 26.741 1.00 0.00 O ATOM 781 CB GLN A 49 48.072 36.492 27.869 1.00 0.00 C ATOM 782 CG GLN A 49 48.845 37.050 26.678 1.00 0.00 C ATOM 783 CD GLN A 49 50.302 36.581 26.674 1.00 0.00 C ATOM 784 OE1 GLN A 49 51.217 37.283 27.102 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.584 35.363 26.221 1.00 0.00 N ATOM 0 H GLN A 49 46.314 35.734 29.514 1.00 0.00 H new ATOM 0 HA GLN A 49 46.859 38.199 28.032 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.642 36.664 28.782 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.967 35.413 27.757 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.361 36.739 25.753 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.814 38.139 26.703 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.838 34.767 25.862 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.546 35.025 26.232 1.00 0.00 H new ATOM 794 N LEU A 50 45.553 37.821 25.971 1.00 0.00 N ATOM 795 CA LEU A 50 44.562 37.809 24.913 1.00 0.00 C ATOM 796 C LEU A 50 45.095 37.158 23.635 1.00 0.00 C ATOM 797 O LEU A 50 46.273 37.286 23.308 1.00 0.00 O ATOM 798 CB LEU A 50 44.055 39.233 24.702 1.00 0.00 C ATOM 799 CG LEU A 50 42.889 39.653 25.592 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.008 39.261 27.061 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.723 41.169 25.548 1.00 0.00 C ATOM 0 H LEU A 50 46.097 38.683 25.994 1.00 0.00 H new ATOM 0 HA LEU A 50 43.717 37.186 25.207 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.882 39.923 24.867 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.752 39.342 23.661 1.00 0.00 H new ATOM 0 HG LEU A 50 42.034 39.115 25.183 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.128 39.607 27.602 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.081 38.177 27.143 1.00 0.00 H new ATOM 0 HD13 LEU A 50 43.900 39.719 27.489 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.889 41.462 26.185 1.00 0.00 H new ATOM 0 HD22 LEU A 50 43.637 41.646 25.904 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.525 41.484 24.523 1.00 0.00 H new ATOM 813 N GLU A 51 44.224 36.456 22.915 1.00 0.00 N ATOM 814 CA GLU A 51 44.552 35.570 21.817 1.00 0.00 C ATOM 815 C GLU A 51 43.814 35.986 20.542 1.00 0.00 C ATOM 816 O GLU A 51 42.606 36.208 20.550 1.00 0.00 O ATOM 817 CB GLU A 51 44.233 34.131 22.215 1.00 0.00 C ATOM 818 CG GLU A 51 45.168 33.601 23.297 1.00 0.00 C ATOM 819 CD GLU A 51 44.727 32.251 23.869 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.013 32.232 24.894 1.00 0.00 O ATOM 821 OE2 GLU A 51 45.174 31.189 23.386 1.00 0.00 O ATOM 0 H GLU A 51 43.221 36.496 23.096 1.00 0.00 H new ATOM 0 HA GLU A 51 45.618 35.639 21.601 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.204 34.076 22.570 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.301 33.491 21.335 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.172 33.502 22.884 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.226 34.329 24.106 1.00 0.00 H new ATOM 828 N ASP A 52 44.548 36.084 19.437 1.00 0.00 N ATOM 829 CA ASP A 52 44.128 36.559 18.135 1.00 0.00 C ATOM 830 C ASP A 52 42.810 35.973 17.624 1.00 0.00 C ATOM 831 O ASP A 52 42.027 36.682 16.995 1.00 0.00 O ATOM 832 CB ASP A 52 45.229 36.265 17.120 1.00 0.00 C ATOM 833 CG ASP A 52 46.566 36.914 17.482 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.974 37.879 16.800 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.234 36.453 18.433 1.00 0.00 O ATOM 0 H ASP A 52 45.530 35.809 19.436 1.00 0.00 H new ATOM 0 HA ASP A 52 43.950 37.628 18.253 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.365 35.186 17.042 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.914 36.619 16.138 1.00 0.00 H new ATOM 840 N GLY A 53 42.544 34.703 17.919 1.00 0.00 N ATOM 841 CA GLY A 53 41.356 33.977 17.519 1.00 0.00 C ATOM 842 C GLY A 53 40.044 34.370 18.204 1.00 0.00 C ATOM 843 O GLY A 53 39.014 33.800 17.852 1.00 0.00 O ATOM 0 H GLY A 53 43.185 34.131 18.469 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.228 34.101 16.444 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.529 32.916 17.700 1.00 0.00 H new ATOM 847 N ARG A 54 40.041 35.294 19.160 1.00 0.00 N ATOM 848 CA ARG A 54 38.880 35.695 19.927 1.00 0.00 C ATOM 849 C ARG A 54 38.521 37.174 19.775 1.00 0.00 C ATOM 850 O ARG A 54 39.279 37.955 19.205 1.00 0.00 O ATOM 851 CB ARG A 54 39.080 35.256 21.376 1.00 0.00 C ATOM 852 CG ARG A 54 38.972 33.743 21.540 1.00 0.00 C ATOM 853 CD ARG A 54 39.272 33.267 22.958 1.00 0.00 C ATOM 854 NE ARG A 54 38.311 33.769 23.941 1.00 0.00 N ATOM 855 CZ ARG A 54 38.514 33.905 25.258 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.636 33.488 25.860 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.550 34.467 26.001 1.00 0.00 N ATOM 0 H ARG A 54 40.885 35.801 19.428 1.00 0.00 H new ATOM 0 HA ARG A 54 38.002 35.189 19.525 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.058 35.588 21.723 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.336 35.742 22.007 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.967 33.425 21.262 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.662 33.259 20.848 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.270 32.177 22.978 1.00 0.00 H new ATOM 0 HD3 ARG A 54 40.275 33.589 23.240 1.00 0.00 H new ATOM 0 HE ARG A 54 37.394 34.043 23.588 1.00 0.00 H new ATOM 0 HH11 ARG A 54 40.375 33.048 25.312 1.00 0.00 H new ATOM 0 HH12 ARG A 54 39.751 33.611 26.866 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.685 34.780 25.561 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.682 34.581 27.006 1.00 0.00 H new ATOM 871 N THR A 55 37.342 37.553 20.263 1.00 0.00 N ATOM 872 CA THR A 55 36.714 38.845 20.083 1.00 0.00 C ATOM 873 C THR A 55 36.422 39.587 21.388 1.00 0.00 C ATOM 874 O THR A 55 36.336 38.980 22.454 1.00 0.00 O ATOM 875 CB THR A 55 35.420 38.737 19.281 1.00 0.00 C ATOM 876 OG1 THR A 55 34.567 37.750 19.817 1.00 0.00 O ATOM 877 CG2 THR A 55 35.667 38.381 17.819 1.00 0.00 C ATOM 0 H THR A 55 36.771 36.923 20.827 1.00 0.00 H new ATOM 0 HA THR A 55 37.452 39.428 19.532 1.00 0.00 H new ATOM 0 HB THR A 55 34.957 39.722 19.342 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.745 37.704 19.285 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.714 38.317 17.294 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.285 39.151 17.356 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.179 37.421 17.760 1.00 0.00 H new ATOM 885 N LEU A 56 36.255 40.904 21.315 1.00 0.00 N ATOM 886 CA LEU A 56 36.079 41.763 22.469 1.00 0.00 C ATOM 887 C LEU A 56 34.849 41.420 23.313 1.00 0.00 C ATOM 888 O LEU A 56 34.947 41.403 24.538 1.00 0.00 O ATOM 889 CB LEU A 56 36.033 43.225 22.033 1.00 0.00 C ATOM 890 CG LEU A 56 37.284 43.774 21.352 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.126 45.277 21.146 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.562 43.566 22.159 1.00 0.00 C ATOM 0 H LEU A 56 36.239 41.410 20.429 1.00 0.00 H new ATOM 0 HA LEU A 56 36.942 41.592 23.112 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.191 43.351 21.352 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.827 43.836 22.912 1.00 0.00 H new ATOM 0 HG LEU A 56 37.379 43.227 20.414 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.017 45.673 20.660 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.255 45.469 20.519 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.992 45.765 22.112 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.409 43.981 21.613 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.470 44.068 23.122 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.721 42.500 22.320 1.00 0.00 H new ATOM 904 N SER A 57 33.720 41.099 22.688 1.00 0.00 N ATOM 905 CA SER A 57 32.503 40.675 23.351 1.00 0.00 C ATOM 906 C SER A 57 32.688 39.400 24.177 1.00 0.00 C ATOM 907 O SER A 57 32.188 39.311 25.295 1.00 0.00 O ATOM 908 CB SER A 57 31.393 40.478 22.322 1.00 0.00 C ATOM 909 OG SER A 57 31.721 39.488 21.374 1.00 0.00 O ATOM 0 H SER A 57 33.630 41.130 21.672 1.00 0.00 H new ATOM 0 HA SER A 57 32.228 41.465 24.049 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.471 40.200 22.832 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.202 41.421 21.810 1.00 0.00 H new ATOM 0 HG SER A 57 30.985 39.391 20.734 1.00 0.00 H new ATOM 915 N ASP A 58 33.466 38.445 23.675 1.00 0.00 N ATOM 916 CA ASP A 58 33.765 37.196 24.346 1.00 0.00 C ATOM 917 C ASP A 58 34.741 37.357 25.512 1.00 0.00 C ATOM 918 O ASP A 58 34.663 36.608 26.483 1.00 0.00 O ATOM 919 CB ASP A 58 34.277 36.183 23.324 1.00 0.00 C ATOM 920 CG ASP A 58 34.403 34.792 23.946 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.523 34.235 23.949 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.381 34.243 24.411 1.00 0.00 O ATOM 0 H ASP A 58 33.916 38.527 22.763 1.00 0.00 H new ATOM 0 HA ASP A 58 32.840 36.830 24.792 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.597 36.144 22.473 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.246 36.504 22.943 1.00 0.00 H new ATOM 927 N TYR A 59 35.608 38.366 25.472 1.00 0.00 N ATOM 928 CA TYR A 59 36.443 38.794 26.575 1.00 0.00 C ATOM 929 C TYR A 59 35.750 39.742 27.556 1.00 0.00 C ATOM 930 O TYR A 59 36.400 40.210 28.488 1.00 0.00 O ATOM 931 CB TYR A 59 37.731 39.414 26.042 1.00 0.00 C ATOM 932 CG TYR A 59 38.756 38.429 25.532 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.368 37.550 26.433 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.138 38.447 24.185 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.357 36.665 25.987 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.121 37.562 23.728 1.00 0.00 C ATOM 937 CZ TYR A 59 40.723 36.658 24.627 1.00 0.00 C ATOM 938 OH TYR A 59 41.668 35.786 24.174 1.00 0.00 O ATOM 0 H TYR A 59 35.748 38.927 24.632 1.00 0.00 H new ATOM 0 HA TYR A 59 36.670 37.898 27.152 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.478 40.101 25.235 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.185 40.008 26.835 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.077 37.554 27.473 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.675 39.142 23.500 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.837 35.992 26.682 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.418 37.571 22.690 1.00 0.00 H new ATOM 0 HH TYR A 59 41.649 34.971 24.718 1.00 0.00 H new ATOM 948 N ASN A 60 34.462 40.031 27.396 1.00 0.00 N ATOM 949 CA ASN A 60 33.725 40.958 28.231 1.00 0.00 C ATOM 950 C ASN A 60 34.334 42.360 28.270 1.00 0.00 C ATOM 951 O ASN A 60 34.301 43.044 29.291 1.00 0.00 O ATOM 952 CB ASN A 60 33.475 40.318 29.594 1.00 0.00 C ATOM 953 CG ASN A 60 32.484 41.074 30.482 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.625 41.832 30.036 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.559 40.844 31.789 1.00 0.00 N ATOM 0 H ASN A 60 33.892 39.613 26.661 1.00 0.00 H new ATOM 0 HA ASN A 60 32.750 41.145 27.782 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.106 39.304 29.442 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.425 40.235 30.122 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.903 41.297 32.425 1.00 0.00 H new ATOM 0 HD22 ASN A 60 33.273 40.215 32.156 1.00 0.00 H new ATOM 962 N ILE A 61 34.916 42.816 27.164 1.00 0.00 N ATOM 963 CA ILE A 61 35.471 44.146 27.024 1.00 0.00 C ATOM 964 C ILE A 61 34.347 45.112 26.644 1.00 0.00 C ATOM 965 O ILE A 61 33.574 44.850 25.725 1.00 0.00 O ATOM 966 CB ILE A 61 36.660 44.139 26.067 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.826 43.382 26.698 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.096 45.553 25.698 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.911 42.957 25.713 1.00 0.00 C ATOM 0 H ILE A 61 35.014 42.250 26.321 1.00 0.00 H new ATOM 0 HA ILE A 61 35.882 44.500 27.969 1.00 0.00 H new ATOM 0 HB ILE A 61 36.349 43.638 25.150 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.277 44.010 27.467 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.439 42.494 27.198 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.945 45.506 25.016 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.270 46.074 25.214 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.386 46.092 26.600 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.699 42.426 26.247 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.479 42.301 24.957 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.330 43.840 25.231 1.00 0.00 H new ATOM 981 N GLN A 62 34.249 46.220 27.374 1.00 0.00 N ATOM 982 CA GLN A 62 33.171 47.186 27.324 1.00 0.00 C ATOM 983 C GLN A 62 33.701 48.561 26.912 1.00 0.00 C ATOM 984 O GLN A 62 34.913 48.751 26.827 1.00 0.00 O ATOM 985 CB GLN A 62 32.482 47.210 28.686 1.00 0.00 C ATOM 986 CG GLN A 62 31.825 45.877 29.029 1.00 0.00 C ATOM 987 CD GLN A 62 31.113 45.854 30.384 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.555 46.842 30.858 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.082 44.712 31.062 1.00 0.00 N ATOM 0 H GLN A 62 34.965 46.476 28.054 1.00 0.00 H new ATOM 0 HA GLN A 62 32.437 46.902 26.570 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.212 47.460 29.455 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.728 47.997 28.695 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.105 45.629 28.249 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.586 45.097 29.019 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.539 43.882 30.684 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.601 44.665 31.960 1.00 0.00 H new ATOM 998 N LYS A 63 32.839 49.551 26.699 1.00 0.00 N ATOM 999 CA LYS A 63 33.286 50.913 26.486 1.00 0.00 C ATOM 1000 C LYS A 63 34.061 51.449 27.691 1.00 0.00 C ATOM 1001 O LYS A 63 33.799 51.043 28.821 1.00 0.00 O ATOM 1002 CB LYS A 63 32.125 51.822 26.093 1.00 0.00 C ATOM 1003 CG LYS A 63 31.226 52.244 27.252 1.00 0.00 C ATOM 1004 CD LYS A 63 30.197 53.268 26.781 1.00 0.00 C ATOM 1005 CE LYS A 63 29.421 53.798 27.984 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.501 54.877 27.591 1.00 0.00 N ATOM 0 H LYS A 63 31.827 49.429 26.670 1.00 0.00 H new ATOM 0 HA LYS A 63 33.983 50.905 25.648 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.527 52.717 25.618 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.517 51.310 25.347 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.718 51.371 27.663 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.830 52.668 28.054 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.695 54.089 26.265 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.513 52.810 26.066 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.858 52.986 28.443 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.118 54.167 28.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.987 55.218 28.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.043 55.661 27.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.821 54.516 26.891 1.00 0.00 H new ATOM 1020 N GLU A 64 35.000 52.364 27.470 1.00 0.00 N ATOM 1021 CA GLU A 64 35.835 52.963 28.491 1.00 0.00 C ATOM 1022 C GLU A 64 36.725 51.965 29.234 1.00 0.00 C ATOM 1023 O GLU A 64 37.233 52.265 30.312 1.00 0.00 O ATOM 1024 CB GLU A 64 35.034 53.865 29.426 1.00 0.00 C ATOM 1025 CG GLU A 64 34.227 54.966 28.745 1.00 0.00 C ATOM 1026 CD GLU A 64 33.292 55.677 29.725 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.759 56.177 30.771 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.072 55.734 29.459 1.00 0.00 O ATOM 0 H GLU A 64 35.203 52.719 26.536 1.00 0.00 H new ATOM 0 HA GLU A 64 36.537 53.605 27.959 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.351 53.243 30.005 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.722 54.328 30.134 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.907 55.692 28.300 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.642 54.537 27.931 1.00 0.00 H new ATOM 1035 N SER A 65 36.955 50.780 28.677 1.00 0.00 N ATOM 1036 CA SER A 65 37.882 49.810 29.227 1.00 0.00 C ATOM 1037 C SER A 65 39.337 50.201 28.962 1.00 0.00 C ATOM 1038 O SER A 65 39.647 50.767 27.917 1.00 0.00 O ATOM 1039 CB SER A 65 37.654 48.406 28.676 1.00 0.00 C ATOM 1040 OG SER A 65 36.333 47.966 28.895 1.00 0.00 O ATOM 0 H SER A 65 36.495 50.468 27.822 1.00 0.00 H new ATOM 0 HA SER A 65 37.691 49.805 30.300 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.868 48.396 27.607 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.351 47.713 29.147 1.00 0.00 H new ATOM 0 HG SER A 65 35.752 48.309 28.184 1.00 0.00 H new ATOM 1046 N THR A 66 40.238 49.840 29.872 1.00 0.00 N ATOM 1047 CA THR A 66 41.674 49.945 29.708 1.00 0.00 C ATOM 1048 C THR A 66 42.285 48.545 29.603 1.00 0.00 C ATOM 1049 O THR A 66 42.103 47.720 30.495 1.00 0.00 O ATOM 1050 CB THR A 66 42.320 50.712 30.858 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.896 52.056 30.897 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.840 50.776 30.727 1.00 0.00 C ATOM 0 H THR A 66 39.971 49.452 30.777 1.00 0.00 H new ATOM 0 HA THR A 66 41.868 50.501 28.791 1.00 0.00 H new ATOM 0 HB THR A 66 42.021 50.168 31.754 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.330 52.514 31.647 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.255 51.332 31.568 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.248 49.765 30.723 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.104 51.277 29.796 1.00 0.00 H new ATOM 1060 N LEU A 67 43.036 48.287 28.536 1.00 0.00 N ATOM 1061 CA LEU A 67 43.883 47.122 28.373 1.00 0.00 C ATOM 1062 C LEU A 67 45.320 47.468 28.769 1.00 0.00 C ATOM 1063 O LEU A 67 45.734 48.620 28.665 1.00 0.00 O ATOM 1064 CB LEU A 67 43.834 46.623 26.932 1.00 0.00 C ATOM 1065 CG LEU A 67 42.467 46.509 26.264 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.639 45.883 24.883 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.473 45.657 27.047 1.00 0.00 C ATOM 0 H LEU A 67 43.068 48.913 27.731 1.00 0.00 H new ATOM 0 HA LEU A 67 43.518 46.326 29.022 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.448 47.289 26.326 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.304 45.640 26.902 1.00 0.00 H new ATOM 0 HG LEU A 67 42.063 47.520 26.212 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.666 45.798 24.398 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.292 46.511 24.278 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.081 44.892 24.985 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.524 45.621 26.512 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.867 44.646 27.156 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.317 46.094 28.033 1.00 0.00 H new ATOM 1079 N HIS A 68 46.113 46.467 29.140 1.00 0.00 N ATOM 1080 CA HIS A 68 47.543 46.616 29.323 1.00 0.00 C ATOM 1081 C HIS A 68 48.297 45.950 28.170 1.00 0.00 C ATOM 1082 O HIS A 68 47.933 44.861 27.734 1.00 0.00 O ATOM 1083 CB HIS A 68 47.943 46.086 30.697 1.00 0.00 C ATOM 1084 CG HIS A 68 47.413 46.926 31.827 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.882 48.192 32.175 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.399 46.572 32.679 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.148 48.576 33.222 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.252 47.632 33.553 1.00 0.00 N ATOM 0 H HIS A 68 45.772 45.523 29.322 1.00 0.00 H new ATOM 0 HA HIS A 68 47.819 47.670 29.298 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.577 45.065 30.807 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.030 46.044 30.762 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.832 45.653 32.669 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.260 49.520 33.735 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.579 47.688 34.318 1.00 0.00 H new ATOM 1096 N LEU A 69 49.339 46.603 27.664 1.00 0.00 N ATOM 1097 CA LEU A 69 50.197 46.111 26.605 1.00 0.00 C ATOM 1098 C LEU A 69 51.609 45.908 27.160 1.00 0.00 C ATOM 1099 O LEU A 69 52.176 46.814 27.767 1.00 0.00 O ATOM 1100 CB LEU A 69 50.152 47.098 25.442 1.00 0.00 C ATOM 1101 CG LEU A 69 51.182 46.927 24.329 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.038 45.613 23.566 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.033 48.056 23.313 1.00 0.00 C ATOM 0 H LEU A 69 49.615 47.526 27.998 1.00 0.00 H new ATOM 0 HA LEU A 69 49.857 45.146 26.230 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.160 47.043 24.993 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.262 48.103 25.850 1.00 0.00 H new ATOM 0 HG LEU A 69 52.156 46.937 24.819 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.801 45.557 22.790 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.159 44.777 24.255 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.050 45.565 23.107 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.770 47.931 22.520 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.031 48.030 22.885 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.192 49.014 23.808 1.00 0.00 H new ATOM 1115 N VAL A 70 52.191 44.741 26.898 1.00 0.00 N ATOM 1116 CA VAL A 70 53.593 44.454 27.123 1.00 0.00 C ATOM 1117 C VAL A 70 54.259 43.995 25.824 1.00 0.00 C ATOM 1118 O VAL A 70 53.621 43.435 24.936 1.00 0.00 O ATOM 1119 CB VAL A 70 53.834 43.489 28.281 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.306 44.052 29.598 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.237 42.101 28.066 1.00 0.00 C ATOM 0 H VAL A 70 51.679 43.948 26.511 1.00 0.00 H new ATOM 0 HA VAL A 70 54.068 45.384 27.434 1.00 0.00 H new ATOM 0 HB VAL A 70 54.917 43.378 28.325 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.495 43.339 30.400 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.812 44.991 29.821 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.234 44.229 29.514 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.451 41.475 28.932 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.158 42.185 27.937 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.675 41.650 27.175 1.00 0.00 H new ATOM 1131 N LEU A 71 55.547 44.303 25.695 1.00 0.00 N ATOM 1132 CA LEU A 71 56.315 44.107 24.481 1.00 0.00 C ATOM 1133 C LEU A 71 57.233 42.887 24.574 1.00 0.00 C ATOM 1134 O LEU A 71 57.669 42.510 25.660 1.00 0.00 O ATOM 1135 CB LEU A 71 57.083 45.383 24.150 1.00 0.00 C ATOM 1136 CG LEU A 71 56.233 46.639 23.982 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.133 47.815 23.613 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.178 46.486 22.890 1.00 0.00 C ATOM 0 H LEU A 71 56.094 44.706 26.455 1.00 0.00 H new ATOM 0 HA LEU A 71 55.626 43.898 23.663 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.812 45.562 24.940 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.644 45.220 23.230 1.00 0.00 H new ATOM 0 HG LEU A 71 55.723 46.810 24.930 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.527 48.713 23.493 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.866 47.975 24.404 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.650 47.598 22.678 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.600 47.407 22.811 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.667 46.281 21.938 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.512 45.660 23.141 1.00 0.00 H new ATOM 1150 N ARG A 72 57.562 42.305 23.425 1.00 0.00 N ATOM 1151 CA ARG A 72 58.398 41.133 23.272 1.00 0.00 C ATOM 1152 C ARG A 72 59.624 41.405 22.396 1.00 0.00 C ATOM 1153 O ARG A 72 59.911 40.675 21.450 1.00 0.00 O ATOM 1154 CB ARG A 72 57.511 39.980 22.809 1.00 0.00 C ATOM 1155 CG ARG A 72 58.090 38.573 22.925 1.00 0.00 C ATOM 1156 CD ARG A 72 58.702 38.217 24.278 1.00 0.00 C ATOM 1157 NE ARG A 72 57.869 38.612 25.413 1.00 0.00 N ATOM 1158 CZ ARG A 72 56.721 38.054 25.819 1.00 0.00 C ATOM 1159 NH1 ARG A 72 56.207 36.932 25.294 1.00 0.00 N ATOM 1160 NH2 ARG A 72 56.005 38.625 26.797 1.00 0.00 N ATOM 0 H ARG A 72 57.231 42.663 22.529 1.00 0.00 H new ATOM 0 HA ARG A 72 58.841 40.846 24.225 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.584 40.014 23.382 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.247 40.153 21.766 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.299 37.856 22.705 1.00 0.00 H new ATOM 0 HG3 ARG A 72 58.855 38.450 22.158 1.00 0.00 H new ATOM 0 HD2 ARG A 72 58.873 37.141 24.319 1.00 0.00 H new ATOM 0 HD3 ARG A 72 59.676 38.699 24.366 1.00 0.00 H new ATOM 0 HE ARG A 72 58.201 39.406 25.960 1.00 0.00 H new ATOM 0 HH11 ARG A 72 56.696 36.452 24.539 1.00 0.00 H new ATOM 0 HH12 ARG A 72 55.327 36.559 25.650 1.00 0.00 H new ATOM 0 HH21 ARG A 72 56.334 39.486 27.234 1.00 0.00 H new ATOM 0 HH22 ARG A 72 55.131 38.199 27.105 1.00 0.00 H new ATOM 1174 N LEU A 73 60.331 42.498 22.669 1.00 0.00 N ATOM 1175 CA LEU A 73 61.466 42.956 21.896 1.00 0.00 C ATOM 1176 C LEU A 73 62.739 42.180 22.242 1.00 0.00 C ATOM 1177 O LEU A 73 63.039 41.989 23.419 1.00 0.00 O ATOM 1178 CB LEU A 73 61.671 44.454 22.102 1.00 0.00 C ATOM 1179 CG LEU A 73 60.521 45.348 21.648 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.822 46.802 21.999 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.264 45.284 20.145 1.00 0.00 C ATOM 0 H LEU A 73 60.117 43.104 23.461 1.00 0.00 H new ATOM 0 HA LEU A 73 61.252 42.770 20.844 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.851 44.635 23.162 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.573 44.755 21.569 1.00 0.00 H new ATOM 0 HG LEU A 73 59.635 44.980 22.166 1.00 0.00 H new ATOM 0 HD11 LEU A 73 59.996 47.434 21.672 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.947 46.898 23.078 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.739 47.115 21.499 1.00 0.00 H new ATOM 0 HD21 LEU A 73 59.434 45.943 19.889 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.158 45.602 19.609 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.016 44.261 19.862 1.00 0.00 H new ATOM 1193 N ARG A 74 63.488 41.762 21.226 1.00 0.00 N ATOM 1194 CA ARG A 74 64.744 41.046 21.334 1.00 0.00 C ATOM 1195 C ARG A 74 65.798 41.459 20.305 1.00 0.00 C ATOM 1196 O ARG A 74 66.927 40.978 20.367 1.00 0.00 O ATOM 1197 CB ARG A 74 64.500 39.541 21.289 1.00 0.00 C ATOM 1198 CG ARG A 74 63.730 39.012 22.496 1.00 0.00 C ATOM 1199 CD ARG A 74 63.634 37.490 22.552 1.00 0.00 C ATOM 1200 NE ARG A 74 64.942 36.854 22.707 1.00 0.00 N ATOM 1201 CZ ARG A 74 65.576 36.056 21.838 1.00 0.00 C ATOM 1202 NH1 ARG A 74 65.064 35.744 20.639 1.00 0.00 N ATOM 1203 NH2 ARG A 74 66.782 35.553 22.135 1.00 0.00 N ATOM 0 H ARG A 74 63.216 41.925 20.256 1.00 0.00 H new ATOM 0 HA ARG A 74 65.164 41.323 22.301 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.948 39.298 20.381 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.459 39.027 21.227 1.00 0.00 H new ATOM 0 HG2 ARG A 74 64.211 39.369 23.406 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.723 39.429 22.483 1.00 0.00 H new ATOM 0 HD2 ARG A 74 62.991 37.200 23.383 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.161 37.125 21.640 1.00 0.00 H new ATOM 0 HE ARG A 74 65.430 37.041 23.583 1.00 0.00 H new ATOM 0 HH11 ARG A 74 64.158 36.118 20.358 1.00 0.00 H new ATOM 0 HH12 ARG A 74 65.581 35.132 20.007 1.00 0.00 H new ATOM 0 HH21 ARG A 74 67.222 35.777 23.027 1.00 0.00 H new ATOM 0 HH22 ARG A 74 67.260 34.946 21.469 1.00 0.00 H new ATOM 1217 N GLY A 75 65.477 42.361 19.382 1.00 0.00 N ATOM 1218 CA GLY A 75 66.360 42.854 18.345 1.00 0.00 C ATOM 1219 C GLY A 75 66.515 41.925 17.139 1.00 0.00 C ATOM 1220 O GLY A 75 66.345 40.711 17.232 1.00 0.00 O ATOM 0 H GLY A 75 64.550 42.784 19.340 1.00 0.00 H new ATOM 0 HA2 GLY A 75 65.987 43.818 17.998 1.00 0.00 H new ATOM 0 HA3 GLY A 75 67.344 43.030 18.779 1.00 0.00 H new ATOM 1224 N GLY A 76 66.832 42.515 15.990 1.00 0.00 N ATOM 1225 CA GLY A 76 66.981 41.845 14.713 1.00 0.00 C ATOM 1226 C GLY A 76 67.202 42.822 13.557 1.00 0.00 C ATOM 1227 O GLY A 76 66.600 43.918 13.560 1.00 0.00 O ATOM 1228 OXT GLY A 76 67.977 42.488 12.636 1.00 0.00 O ATOM 0 H GLY A 76 66.998 43.519 15.927 1.00 0.00 H new ATOM 0 HA2 GLY A 76 67.823 41.154 14.766 1.00 0.00 H new ATOM 0 HA3 GLY A 76 66.091 41.248 14.514 1.00 0.00 H new TER 1232 GLY A 76