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 55 THR OG1 : rot -63:sc= 1.18 USER MOD Set 1.2: A 57 SER OG : rot -82:sc= 0.766 USER MOD Set 2.1: A 25 ASN : amide:sc= -0.358 K(o=0.49,f=-5.1!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -163:sc= 0.847 (180deg=0.649) USER MOD Set 3.1: A 7 THR OG1 : rot 145:sc= 1.88 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.93 (180deg=1.86) USER MOD Single : A 2 GLN : amide:sc= 0.739 K(o=0.74,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.0177 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.317 USER MOD Single : A 27 LYS NZ :NH3+ 159:sc= 1.23 (180deg=1.16) USER MOD Single : A 31 GLN : amide:sc= -0.485 K(o=-0.48,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.084 K(o=-0.084,f=-0.94) USER MOD Single : A 41 GLN : amide:sc= 1.33 K(o=1.3,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0607) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.541 USER MOD Single : A 60 ASN : amide:sc= -0.0399 X(o=-0.04,f=-0.038) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc=-0.00579 (180deg=-0.117) USER MOD Single : A 65 SER OG : rot 62:sc= 1.25 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 33.044 51.678 19.696 1.00 0.00 N ATOM 2 CA MET A 1 33.276 52.031 21.105 1.00 0.00 C ATOM 3 C MET A 1 34.730 52.461 21.313 1.00 0.00 C ATOM 4 O MET A 1 35.620 51.992 20.606 1.00 0.00 O ATOM 5 CB MET A 1 32.895 50.888 22.043 1.00 0.00 C ATOM 6 CG MET A 1 33.782 49.650 21.939 1.00 0.00 C ATOM 7 SD MET A 1 33.292 48.286 23.022 1.00 0.00 S ATOM 8 CE MET A 1 34.738 47.212 22.831 1.00 0.00 C ATOM 0 H1 MET A 1 32.042 51.437 19.559 1.00 0.00 H new ATOM 0 H2 MET A 1 33.292 52.486 19.090 1.00 0.00 H new ATOM 0 H3 MET A 1 33.634 50.861 19.441 1.00 0.00 H new ATOM 0 HA MET A 1 32.630 52.873 21.352 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.925 51.254 23.069 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.865 50.597 21.838 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.775 49.299 20.907 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.808 49.933 22.173 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.607 46.314 23.435 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.847 46.932 21.783 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.631 47.743 23.160 1.00 0.00 H new ATOM 20 N GLN A 2 34.974 53.299 22.317 1.00 0.00 N ATOM 21 CA GLN A 2 36.299 53.697 22.749 1.00 0.00 C ATOM 22 C GLN A 2 36.935 52.630 23.642 1.00 0.00 C ATOM 23 O GLN A 2 36.216 51.986 24.403 1.00 0.00 O ATOM 24 CB GLN A 2 36.226 55.025 23.497 1.00 0.00 C ATOM 25 CG GLN A 2 35.492 56.132 22.745 1.00 0.00 C ATOM 26 CD GLN A 2 35.460 57.453 23.515 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.935 58.484 23.047 1.00 0.00 O ATOM 28 NE2 GLN A 2 34.862 57.507 24.702 1.00 0.00 N ATOM 0 H GLN A 2 34.229 53.729 22.865 1.00 0.00 H new ATOM 0 HA GLN A 2 36.923 53.813 21.863 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.731 54.862 24.454 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.240 55.361 23.716 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.974 56.291 21.780 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.470 55.811 22.542 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.460 56.663 25.110 1.00 0.00 H new ATOM 0 HE22 GLN A 2 34.805 58.393 25.205 1.00 0.00 H new ATOM 37 N ILE A 3 38.257 52.489 23.619 1.00 0.00 N ATOM 38 CA ILE A 3 39.034 51.824 24.644 1.00 0.00 C ATOM 39 C ILE A 3 40.350 52.556 24.914 1.00 0.00 C ATOM 40 O ILE A 3 40.905 53.187 24.017 1.00 0.00 O ATOM 41 CB ILE A 3 39.304 50.352 24.344 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.025 50.134 23.017 1.00 0.00 C ATOM 43 CG2 ILE A 3 38.033 49.512 24.430 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.539 48.713 22.806 1.00 0.00 C ATOM 0 H ILE A 3 38.831 52.849 22.857 1.00 0.00 H new ATOM 0 HA ILE A 3 38.417 51.857 25.542 1.00 0.00 H new ATOM 0 HB ILE A 3 39.984 50.009 25.124 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.346 50.387 22.203 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.866 50.825 22.957 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.269 48.471 24.210 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.616 49.585 25.434 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.304 49.879 23.707 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.038 48.646 21.839 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.245 48.460 23.597 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.702 48.016 22.831 1.00 0.00 H new ATOM 56 N PHE A 4 40.882 52.396 26.122 1.00 0.00 N ATOM 57 CA PHE A 4 42.234 52.772 26.484 1.00 0.00 C ATOM 58 C PHE A 4 43.172 51.563 26.451 1.00 0.00 C ATOM 59 O PHE A 4 42.784 50.459 26.828 1.00 0.00 O ATOM 60 CB PHE A 4 42.283 53.398 27.875 1.00 0.00 C ATOM 61 CG PHE A 4 41.326 54.530 28.161 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.676 55.846 27.836 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.113 54.279 28.814 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.808 56.903 28.136 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.258 55.337 29.143 1.00 0.00 C ATOM 66 CZ PHE A 4 39.599 56.650 28.796 1.00 0.00 C ATOM 0 H PHE A 4 40.362 51.987 26.898 1.00 0.00 H new ATOM 0 HA PHE A 4 42.565 53.506 25.749 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.101 52.610 28.606 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.296 53.762 28.045 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.620 56.047 27.352 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.836 53.266 29.065 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.071 57.913 27.858 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.333 55.140 29.665 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.932 57.465 29.036 1.00 0.00 H new ATOM 76 N VAL A 5 44.434 51.775 26.089 1.00 0.00 N ATOM 77 CA VAL A 5 45.498 50.795 26.166 1.00 0.00 C ATOM 78 C VAL A 5 46.706 51.402 26.883 1.00 0.00 C ATOM 79 O VAL A 5 47.294 52.368 26.404 1.00 0.00 O ATOM 80 CB VAL A 5 45.871 50.262 24.785 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.897 49.139 24.896 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.676 49.712 24.010 1.00 0.00 C ATOM 0 H VAL A 5 44.750 52.672 25.720 1.00 0.00 H new ATOM 0 HA VAL A 5 45.145 49.941 26.743 1.00 0.00 H new ATOM 0 HB VAL A 5 46.277 51.118 24.247 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.147 48.775 23.900 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.797 49.515 25.382 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.481 48.323 25.486 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.009 49.349 23.038 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.226 48.891 24.569 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.939 50.502 23.869 1.00 0.00 H new ATOM 92 N LYS A 6 47.062 50.845 28.036 1.00 0.00 N ATOM 93 CA LYS A 6 48.197 51.231 28.851 1.00 0.00 C ATOM 94 C LYS A 6 49.444 50.418 28.498 1.00 0.00 C ATOM 95 O LYS A 6 49.344 49.244 28.146 1.00 0.00 O ATOM 96 CB LYS A 6 47.858 51.079 30.331 1.00 0.00 C ATOM 97 CG LYS A 6 46.896 52.169 30.795 1.00 0.00 C ATOM 98 CD LYS A 6 46.525 52.048 32.270 1.00 0.00 C ATOM 99 CE LYS A 6 47.712 52.282 33.201 1.00 0.00 C ATOM 100 NZ LYS A 6 47.279 52.427 34.599 1.00 0.00 N ATOM 0 H LYS A 6 46.536 50.072 28.444 1.00 0.00 H new ATOM 0 HA LYS A 6 48.419 52.278 28.645 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.412 50.100 30.505 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.773 51.123 30.922 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.349 53.145 30.619 1.00 0.00 H new ATOM 0 HG3 LYS A 6 45.988 52.125 30.193 1.00 0.00 H new ATOM 0 HD2 LYS A 6 45.740 52.767 32.502 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.114 51.056 32.456 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.410 51.449 33.120 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.249 53.178 32.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.109 52.585 35.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.632 53.238 34.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.789 51.561 34.902 1.00 0.00 H new ATOM 114 N THR A 7 50.619 51.025 28.635 1.00 0.00 N ATOM 115 CA THR A 7 51.897 50.391 28.383 1.00 0.00 C ATOM 116 C THR A 7 52.695 50.189 29.673 1.00 0.00 C ATOM 117 O THR A 7 52.507 50.915 30.646 1.00 0.00 O ATOM 118 CB THR A 7 52.720 51.190 27.377 1.00 0.00 C ATOM 119 OG1 THR A 7 53.165 52.393 27.963 1.00 0.00 O ATOM 120 CG2 THR A 7 51.950 51.543 26.109 1.00 0.00 C ATOM 0 H THR A 7 50.705 51.997 28.932 1.00 0.00 H new ATOM 0 HA THR A 7 51.685 49.409 27.960 1.00 0.00 H new ATOM 0 HB THR A 7 53.555 50.547 27.098 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.054 52.617 27.616 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.595 52.111 25.438 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.626 50.628 25.613 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.078 52.143 26.368 1.00 0.00 H new ATOM 128 N LEU A 8 53.645 49.258 29.689 1.00 0.00 N ATOM 129 CA LEU A 8 54.602 49.145 30.771 1.00 0.00 C ATOM 130 C LEU A 8 55.532 50.358 30.847 1.00 0.00 C ATOM 131 O LEU A 8 56.046 50.663 31.922 1.00 0.00 O ATOM 132 CB LEU A 8 55.404 47.852 30.650 1.00 0.00 C ATOM 133 CG LEU A 8 54.609 46.550 30.626 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.564 45.365 30.731 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.605 46.428 31.769 1.00 0.00 C ATOM 0 H LEU A 8 53.768 48.565 28.951 1.00 0.00 H new ATOM 0 HA LEU A 8 54.035 49.117 31.702 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.998 47.905 29.737 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.104 47.807 31.484 1.00 0.00 H new ATOM 0 HG LEU A 8 54.057 46.554 29.686 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.994 44.436 30.714 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.258 45.381 29.890 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.123 45.430 31.664 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.076 45.478 31.689 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.132 46.470 32.722 1.00 0.00 H new ATOM 0 HD23 LEU A 8 52.889 47.248 31.713 1.00 0.00 H new ATOM 147 N THR A 9 55.677 51.108 29.759 1.00 0.00 N ATOM 148 CA THR A 9 56.361 52.384 29.695 1.00 0.00 C ATOM 149 C THR A 9 55.549 53.549 30.265 1.00 0.00 C ATOM 150 O THR A 9 56.025 54.683 30.276 1.00 0.00 O ATOM 151 CB THR A 9 56.832 52.669 28.272 1.00 0.00 C ATOM 152 OG1 THR A 9 55.769 52.604 27.349 1.00 0.00 O ATOM 153 CG2 THR A 9 57.846 51.630 27.797 1.00 0.00 C ATOM 0 H THR A 9 55.300 50.823 28.855 1.00 0.00 H new ATOM 0 HA THR A 9 57.233 52.299 30.343 1.00 0.00 H new ATOM 0 HB THR A 9 57.268 53.667 28.308 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.106 52.793 26.448 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.159 51.865 26.780 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.715 51.642 28.456 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.389 50.640 27.816 1.00 0.00 H new ATOM 161 N GLY A 10 54.347 53.310 30.780 1.00 0.00 N ATOM 162 CA GLY A 10 53.539 54.290 31.478 1.00 0.00 C ATOM 163 C GLY A 10 52.755 55.252 30.582 1.00 0.00 C ATOM 164 O GLY A 10 52.318 56.301 31.050 1.00 0.00 O ATOM 0 H GLY A 10 53.898 52.396 30.718 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.834 53.763 32.121 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.189 54.875 32.129 1.00 0.00 H new ATOM 168 N LYS A 11 52.589 54.921 29.305 1.00 0.00 N ATOM 169 CA LYS A 11 51.862 55.680 28.309 1.00 0.00 C ATOM 170 C LYS A 11 50.414 55.190 28.232 1.00 0.00 C ATOM 171 O LYS A 11 50.134 54.063 28.636 1.00 0.00 O ATOM 172 CB LYS A 11 52.549 55.563 26.952 1.00 0.00 C ATOM 173 CG LYS A 11 54.032 55.923 26.969 1.00 0.00 C ATOM 174 CD LYS A 11 54.732 55.656 25.639 1.00 0.00 C ATOM 175 CE LYS A 11 54.180 56.522 24.512 1.00 0.00 C ATOM 176 NZ LYS A 11 54.936 56.351 23.262 1.00 0.00 N ATOM 0 H LYS A 11 52.985 54.063 28.921 1.00 0.00 H new ATOM 0 HA LYS A 11 51.855 56.731 28.597 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.439 54.541 26.588 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.037 56.212 26.241 1.00 0.00 H new ATOM 0 HG2 LYS A 11 54.140 56.977 27.224 1.00 0.00 H new ATOM 0 HG3 LYS A 11 54.528 55.353 27.754 1.00 0.00 H new ATOM 0 HD2 LYS A 11 55.800 55.843 25.749 1.00 0.00 H new ATOM 0 HD3 LYS A 11 54.618 54.604 25.376 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.134 56.269 24.340 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.209 57.569 24.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.527 56.958 22.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.929 56.617 23.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.887 55.357 22.960 1.00 0.00 H new ATOM 190 N THR A 12 49.498 55.990 27.695 1.00 0.00 N ATOM 191 CA THR A 12 48.128 55.592 27.439 1.00 0.00 C ATOM 192 C THR A 12 47.708 55.999 26.025 1.00 0.00 C ATOM 193 O THR A 12 47.749 57.173 25.665 1.00 0.00 O ATOM 194 CB THR A 12 47.153 56.153 28.470 1.00 0.00 C ATOM 195 OG1 THR A 12 47.533 55.760 29.770 1.00 0.00 O ATOM 196 CG2 THR A 12 45.735 55.624 28.276 1.00 0.00 C ATOM 0 H THR A 12 49.697 56.952 27.422 1.00 0.00 H new ATOM 0 HA THR A 12 48.090 54.506 27.525 1.00 0.00 H new ATOM 0 HB THR A 12 47.176 57.235 28.340 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.900 56.128 30.421 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.080 56.053 29.034 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.375 55.903 27.286 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.736 54.538 28.369 1.00 0.00 H new ATOM 204 N ILE A 13 47.308 54.999 25.245 1.00 0.00 N ATOM 205 CA ILE A 13 46.835 55.092 23.879 1.00 0.00 C ATOM 206 C ILE A 13 45.312 54.957 23.884 1.00 0.00 C ATOM 207 O ILE A 13 44.780 54.187 24.681 1.00 0.00 O ATOM 208 CB ILE A 13 47.491 54.001 23.037 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.001 53.872 23.210 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.152 54.139 21.556 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.830 55.133 22.977 1.00 0.00 C ATOM 0 H ILE A 13 47.308 54.036 25.581 1.00 0.00 H new ATOM 0 HA ILE A 13 47.101 56.054 23.441 1.00 0.00 H new ATOM 0 HB ILE A 13 47.059 53.080 23.428 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.198 53.518 24.222 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.357 53.100 22.527 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.640 53.342 20.995 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.073 54.069 21.422 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.501 55.105 21.191 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.885 54.908 23.131 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.679 55.484 21.956 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.518 55.908 23.677 1.00 0.00 H new ATOM 223 N THR A 14 44.596 55.655 23.007 1.00 0.00 N ATOM 224 CA THR A 14 43.162 55.524 22.844 1.00 0.00 C ATOM 225 C THR A 14 42.779 55.069 21.434 1.00 0.00 C ATOM 226 O THR A 14 43.362 55.533 20.457 1.00 0.00 O ATOM 227 CB THR A 14 42.413 56.805 23.199 1.00 0.00 C ATOM 228 OG1 THR A 14 43.034 57.953 22.666 1.00 0.00 O ATOM 229 CG2 THR A 14 42.306 56.996 24.709 1.00 0.00 C ATOM 0 H THR A 14 45.012 56.342 22.378 1.00 0.00 H new ATOM 0 HA THR A 14 42.858 54.750 23.549 1.00 0.00 H new ATOM 0 HB THR A 14 41.421 56.690 22.762 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.520 58.749 22.916 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.766 57.919 24.922 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.770 56.153 25.145 1.00 0.00 H new ATOM 0 HG23 THR A 14 43.305 57.053 25.140 1.00 0.00 H new ATOM 237 N LEU A 15 41.810 54.163 21.335 1.00 0.00 N ATOM 238 CA LEU A 15 41.349 53.576 20.093 1.00 0.00 C ATOM 239 C LEU A 15 39.823 53.608 19.978 1.00 0.00 C ATOM 240 O LEU A 15 39.122 53.620 20.988 1.00 0.00 O ATOM 241 CB LEU A 15 41.823 52.128 19.996 1.00 0.00 C ATOM 242 CG LEU A 15 43.320 51.868 20.137 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.573 50.366 20.223 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.120 52.404 18.954 1.00 0.00 C ATOM 0 H LEU A 15 41.310 53.809 22.150 1.00 0.00 H new ATOM 0 HA LEU A 15 41.766 54.168 19.279 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.307 51.553 20.765 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.502 51.732 19.033 1.00 0.00 H new ATOM 0 HG LEU A 15 43.644 52.384 21.041 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.643 50.182 20.324 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.052 49.958 21.089 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.206 49.883 19.318 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.179 52.193 19.105 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.781 51.922 18.037 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.973 53.481 18.873 1.00 0.00 H new ATOM 256 N GLU A 16 39.314 53.573 18.750 1.00 0.00 N ATOM 257 CA GLU A 16 37.943 53.256 18.403 1.00 0.00 C ATOM 258 C GLU A 16 37.890 51.894 17.709 1.00 0.00 C ATOM 259 O GLU A 16 38.584 51.653 16.723 1.00 0.00 O ATOM 260 CB GLU A 16 37.357 54.387 17.564 1.00 0.00 C ATOM 261 CG GLU A 16 36.019 54.126 16.878 1.00 0.00 C ATOM 262 CD GLU A 16 34.839 53.830 17.806 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.606 54.560 18.794 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.079 52.883 17.508 1.00 0.00 O ATOM 0 H GLU A 16 39.883 53.777 17.929 1.00 0.00 H new ATOM 0 HA GLU A 16 37.326 53.174 19.298 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.242 55.260 18.207 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.085 54.650 16.796 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.769 54.995 16.270 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.140 53.284 16.196 1.00 0.00 H new ATOM 271 N VAL A 17 37.087 50.988 18.261 1.00 0.00 N ATOM 272 CA VAL A 17 37.012 49.578 17.936 1.00 0.00 C ATOM 273 C VAL A 17 35.564 49.086 17.998 1.00 0.00 C ATOM 274 O VAL A 17 34.716 49.721 18.620 1.00 0.00 O ATOM 275 CB VAL A 17 37.864 48.744 18.888 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.351 49.061 18.758 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.461 48.921 20.349 1.00 0.00 C ATOM 0 H VAL A 17 36.429 51.244 18.997 1.00 0.00 H new ATOM 0 HA VAL A 17 37.395 49.458 16.923 1.00 0.00 H new ATOM 0 HB VAL A 17 37.684 47.710 18.593 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.917 48.443 19.455 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.680 48.853 17.740 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.520 50.113 18.986 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.101 48.304 20.980 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.572 49.968 20.633 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.422 48.618 20.479 1.00 0.00 H new ATOM 287 N GLU A 18 35.276 47.925 17.416 1.00 0.00 N ATOM 288 CA GLU A 18 34.031 47.218 17.644 1.00 0.00 C ATOM 289 C GLU A 18 34.174 46.142 18.722 1.00 0.00 C ATOM 290 O GLU A 18 35.215 45.495 18.795 1.00 0.00 O ATOM 291 CB GLU A 18 33.524 46.586 16.351 1.00 0.00 C ATOM 292 CG GLU A 18 32.997 47.590 15.331 1.00 0.00 C ATOM 293 CD GLU A 18 31.741 48.289 15.854 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.698 47.615 16.001 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.803 49.495 16.183 1.00 0.00 O ATOM 0 H GLU A 18 35.907 47.450 16.770 1.00 0.00 H new ATOM 0 HA GLU A 18 33.307 47.954 17.994 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.333 46.014 15.897 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.730 45.879 16.592 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.766 48.331 15.112 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.771 47.079 14.395 1.00 0.00 H new ATOM 302 N PRO A 19 33.137 45.837 19.498 1.00 0.00 N ATOM 303 CA PRO A 19 33.150 44.727 20.429 1.00 0.00 C ATOM 304 C PRO A 19 33.304 43.360 19.760 1.00 0.00 C ATOM 305 O PRO A 19 33.628 42.379 20.425 1.00 0.00 O ATOM 306 CB PRO A 19 31.845 44.844 21.211 1.00 0.00 C ATOM 307 CG PRO A 19 30.902 45.566 20.252 1.00 0.00 C ATOM 308 CD PRO A 19 31.852 46.506 19.516 1.00 0.00 C ATOM 0 HA PRO A 19 34.024 44.785 21.078 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.457 43.864 21.489 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.982 45.406 22.135 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.405 44.875 19.572 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.120 46.110 20.782 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.500 46.703 18.503 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.920 47.469 20.023 1.00 0.00 H new ATOM 316 N SER A 20 33.118 43.292 18.445 1.00 0.00 N ATOM 317 CA SER A 20 33.348 42.151 17.581 1.00 0.00 C ATOM 318 C SER A 20 34.734 42.089 16.936 1.00 0.00 C ATOM 319 O SER A 20 35.011 41.121 16.233 1.00 0.00 O ATOM 320 CB SER A 20 32.280 42.137 16.491 1.00 0.00 C ATOM 321 OG SER A 20 32.172 43.389 15.854 1.00 0.00 O ATOM 0 H SER A 20 32.776 44.098 17.921 1.00 0.00 H new ATOM 0 HA SER A 20 33.292 41.273 18.224 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.523 41.372 15.753 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.318 41.866 16.927 1.00 0.00 H new ATOM 0 HG SER A 20 31.481 43.345 15.161 1.00 0.00 H new ATOM 327 N ASP A 21 35.607 43.075 17.127 1.00 0.00 N ATOM 328 CA ASP A 21 36.943 43.037 16.567 1.00 0.00 C ATOM 329 C ASP A 21 37.792 41.960 17.245 1.00 0.00 C ATOM 330 O ASP A 21 37.764 41.810 18.464 1.00 0.00 O ATOM 331 CB ASP A 21 37.627 44.399 16.650 1.00 0.00 C ATOM 332 CG ASP A 21 37.087 45.452 15.680 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.410 45.107 14.686 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.376 46.652 15.876 1.00 0.00 O ATOM 0 H ASP A 21 35.405 43.914 17.671 1.00 0.00 H new ATOM 0 HA ASP A 21 36.846 42.781 15.512 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.527 44.778 17.667 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.693 44.266 16.463 1.00 0.00 H new ATOM 339 N THR A 22 38.559 41.207 16.461 1.00 0.00 N ATOM 340 CA THR A 22 39.497 40.230 16.979 1.00 0.00 C ATOM 341 C THR A 22 40.683 40.893 17.681 1.00 0.00 C ATOM 342 O THR A 22 41.053 42.026 17.380 1.00 0.00 O ATOM 343 CB THR A 22 40.023 39.271 15.916 1.00 0.00 C ATOM 344 OG1 THR A 22 40.645 39.968 14.860 1.00 0.00 O ATOM 345 CG2 THR A 22 38.932 38.382 15.324 1.00 0.00 C ATOM 0 H THR A 22 38.543 41.262 15.443 1.00 0.00 H new ATOM 0 HA THR A 22 38.923 39.650 17.701 1.00 0.00 H new ATOM 0 HB THR A 22 40.746 38.638 16.430 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.974 39.328 14.195 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.368 37.722 14.574 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.481 37.784 16.116 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.168 39.005 14.859 1.00 0.00 H new ATOM 353 N ILE A 23 41.354 40.168 18.572 1.00 0.00 N ATOM 354 CA ILE A 23 42.598 40.607 19.171 1.00 0.00 C ATOM 355 C ILE A 23 43.671 40.832 18.104 1.00 0.00 C ATOM 356 O ILE A 23 44.423 41.798 18.215 1.00 0.00 O ATOM 357 CB ILE A 23 43.015 39.627 20.263 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.071 39.632 21.462 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.457 39.798 20.730 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.982 40.931 22.257 1.00 0.00 C ATOM 0 H ILE A 23 41.042 39.253 18.897 1.00 0.00 H new ATOM 0 HA ILE A 23 42.457 41.576 19.650 1.00 0.00 H new ATOM 0 HB ILE A 23 42.946 38.652 19.780 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.071 39.380 21.109 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.379 38.837 22.141 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.677 39.066 21.507 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.132 39.648 19.888 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.593 40.803 21.130 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.280 40.806 23.081 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.966 41.183 22.653 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.637 41.734 21.605 1.00 0.00 H new ATOM 372 N GLU A 24 43.692 40.049 17.030 1.00 0.00 N ATOM 373 CA GLU A 24 44.521 40.322 15.873 1.00 0.00 C ATOM 374 C GLU A 24 44.212 41.682 15.244 1.00 0.00 C ATOM 375 O GLU A 24 45.118 42.482 15.020 1.00 0.00 O ATOM 376 CB GLU A 24 44.330 39.220 14.835 1.00 0.00 C ATOM 377 CG GLU A 24 45.243 39.368 13.622 1.00 0.00 C ATOM 378 CD GLU A 24 45.006 38.250 12.605 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.879 37.368 12.451 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.938 38.242 11.957 1.00 0.00 O ATOM 0 H GLU A 24 43.129 39.203 16.943 1.00 0.00 H new ATOM 0 HA GLU A 24 45.557 40.347 16.211 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.514 38.253 15.304 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.292 39.220 14.502 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.069 40.335 13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.284 39.354 13.944 1.00 0.00 H new ATOM 387 N ASN A 25 42.939 41.978 14.994 1.00 0.00 N ATOM 388 CA ASN A 25 42.499 43.228 14.408 1.00 0.00 C ATOM 389 C ASN A 25 42.823 44.433 15.293 1.00 0.00 C ATOM 390 O ASN A 25 43.261 45.462 14.783 1.00 0.00 O ATOM 391 CB ASN A 25 41.007 43.096 14.116 1.00 0.00 C ATOM 392 CG ASN A 25 40.434 44.328 13.415 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.783 45.176 14.022 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.638 44.454 12.106 1.00 0.00 N ATOM 0 H ASN A 25 42.173 41.337 15.200 1.00 0.00 H new ATOM 0 HA ASN A 25 43.040 43.417 13.481 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.839 42.217 13.494 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.471 42.932 15.051 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.254 45.255 11.605 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.178 43.750 11.604 1.00 0.00 H new ATOM 401 N VAL A 26 42.704 44.307 16.612 1.00 0.00 N ATOM 402 CA VAL A 26 43.083 45.349 17.544 1.00 0.00 C ATOM 403 C VAL A 26 44.600 45.550 17.579 1.00 0.00 C ATOM 404 O VAL A 26 45.050 46.691 17.514 1.00 0.00 O ATOM 405 CB VAL A 26 42.489 45.102 18.927 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.910 46.158 19.947 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.965 45.141 18.855 1.00 0.00 C ATOM 0 H VAL A 26 42.338 43.468 17.062 1.00 0.00 H new ATOM 0 HA VAL A 26 42.658 46.287 17.186 1.00 0.00 H new ATOM 0 HB VAL A 26 42.859 44.127 19.244 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.458 45.932 20.913 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.996 46.157 20.045 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.577 47.140 19.612 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.549 44.964 19.847 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.643 46.118 18.496 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.613 44.369 18.171 1.00 0.00 H new ATOM 417 N LYS A 27 45.400 44.487 17.569 1.00 0.00 N ATOM 418 CA LYS A 27 46.841 44.578 17.443 1.00 0.00 C ATOM 419 C LYS A 27 47.261 45.220 16.120 1.00 0.00 C ATOM 420 O LYS A 27 48.177 46.040 16.097 1.00 0.00 O ATOM 421 CB LYS A 27 47.469 43.200 17.625 1.00 0.00 C ATOM 422 CG LYS A 27 47.391 42.684 19.059 1.00 0.00 C ATOM 423 CD LYS A 27 47.679 41.189 19.174 1.00 0.00 C ATOM 424 CE LYS A 27 49.092 40.838 18.713 1.00 0.00 C ATOM 425 NZ LYS A 27 49.367 39.395 18.773 1.00 0.00 N ATOM 0 H LYS A 27 45.056 43.530 17.649 1.00 0.00 H new ATOM 0 HA LYS A 27 47.210 45.233 18.232 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.970 42.491 16.964 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.514 43.241 17.318 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.102 43.233 19.676 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.398 42.888 19.459 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.547 40.874 20.209 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.955 40.634 18.577 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.234 41.188 17.691 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.814 41.367 19.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.162 39.167 18.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.611 39.128 19.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.523 38.868 18.471 1.00 0.00 H new ATOM 439 N ALA A 28 46.556 44.944 15.027 1.00 0.00 N ATOM 440 CA ALA A 28 46.765 45.580 13.741 1.00 0.00 C ATOM 441 C ALA A 28 46.341 47.049 13.710 1.00 0.00 C ATOM 442 O ALA A 28 46.970 47.853 13.025 1.00 0.00 O ATOM 443 CB ALA A 28 46.046 44.754 12.677 1.00 0.00 C ATOM 0 H ALA A 28 45.805 44.253 15.016 1.00 0.00 H new ATOM 0 HA ALA A 28 47.836 45.603 13.537 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.190 45.215 11.700 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.453 43.743 12.665 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.981 44.714 12.906 1.00 0.00 H new ATOM 449 N LYS A 29 45.333 47.451 14.480 1.00 0.00 N ATOM 450 CA LYS A 29 44.970 48.839 14.682 1.00 0.00 C ATOM 451 C LYS A 29 46.012 49.580 15.522 1.00 0.00 C ATOM 452 O LYS A 29 46.305 50.735 15.221 1.00 0.00 O ATOM 453 CB LYS A 29 43.559 48.935 15.256 1.00 0.00 C ATOM 454 CG LYS A 29 42.505 48.644 14.193 1.00 0.00 C ATOM 455 CD LYS A 29 41.088 48.463 14.731 1.00 0.00 C ATOM 456 CE LYS A 29 40.185 48.135 13.546 1.00 0.00 C ATOM 457 NZ LYS A 29 38.770 47.958 13.910 1.00 0.00 N ATOM 0 H LYS A 29 44.736 46.800 14.990 1.00 0.00 H new ATOM 0 HA LYS A 29 44.961 49.344 13.716 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.451 48.230 16.080 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.399 49.932 15.666 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.503 49.460 13.470 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.792 47.741 13.654 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.058 47.662 15.469 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.749 49.370 15.231 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.264 48.934 12.809 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.545 47.224 13.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.273 47.466 13.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.704 47.394 14.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.333 48.889 14.065 1.00 0.00 H new ATOM 471 N ILE A 30 46.632 48.928 16.501 1.00 0.00 N ATOM 472 CA ILE A 30 47.768 49.446 17.238 1.00 0.00 C ATOM 473 C ILE A 30 48.990 49.595 16.328 1.00 0.00 C ATOM 474 O ILE A 30 49.662 50.620 16.399 1.00 0.00 O ATOM 475 CB ILE A 30 48.037 48.600 18.479 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.899 48.752 19.483 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.363 48.972 19.137 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.869 47.674 20.563 1.00 0.00 C ATOM 0 H ILE A 30 46.346 47.998 16.808 1.00 0.00 H new ATOM 0 HA ILE A 30 47.533 50.449 17.594 1.00 0.00 H new ATOM 0 HB ILE A 30 48.099 47.560 18.159 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.980 49.728 19.962 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.951 48.738 18.945 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.520 48.349 20.017 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.177 48.813 18.430 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.340 50.020 19.434 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.030 47.856 21.235 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.755 46.695 20.097 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.800 47.700 21.129 1.00 0.00 H new ATOM 490 N GLN A 31 49.254 48.650 15.429 1.00 0.00 N ATOM 491 CA GLN A 31 50.321 48.742 14.453 1.00 0.00 C ATOM 492 C GLN A 31 50.214 50.016 13.612 1.00 0.00 C ATOM 493 O GLN A 31 51.194 50.750 13.500 1.00 0.00 O ATOM 494 CB GLN A 31 50.343 47.494 13.576 1.00 0.00 C ATOM 495 CG GLN A 31 51.481 47.483 12.559 1.00 0.00 C ATOM 496 CD GLN A 31 51.429 46.309 11.579 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.436 45.600 11.437 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.524 46.072 10.862 1.00 0.00 N ATOM 0 H GLN A 31 48.718 47.785 15.363 1.00 0.00 H new ATOM 0 HA GLN A 31 51.267 48.801 14.992 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.428 46.614 14.213 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.393 47.415 13.047 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.459 48.415 11.995 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.431 47.456 13.093 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.348 46.661 10.980 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.539 45.301 10.194 1.00 0.00 H new ATOM 507 N ASP A 32 49.043 50.309 13.054 1.00 0.00 N ATOM 508 CA ASP A 32 48.804 51.491 12.252 1.00 0.00 C ATOM 509 C ASP A 32 49.049 52.796 13.012 1.00 0.00 C ATOM 510 O ASP A 32 49.571 53.748 12.435 1.00 0.00 O ATOM 511 CB ASP A 32 47.385 51.407 11.694 1.00 0.00 C ATOM 512 CG ASP A 32 46.947 52.595 10.837 1.00 0.00 C ATOM 513 OD1 ASP A 32 45.827 53.098 11.070 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.683 53.030 9.924 1.00 0.00 O ATOM 0 H ASP A 32 48.220 49.715 13.153 1.00 0.00 H new ATOM 0 HA ASP A 32 49.525 51.513 11.435 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.301 50.499 11.097 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.690 51.306 12.528 1.00 0.00 H new ATOM 519 N LYS A 33 48.727 52.847 14.302 1.00 0.00 N ATOM 520 CA LYS A 33 48.862 54.029 15.130 1.00 0.00 C ATOM 521 C LYS A 33 50.261 54.235 15.714 1.00 0.00 C ATOM 522 O LYS A 33 50.759 55.358 15.689 1.00 0.00 O ATOM 523 CB LYS A 33 47.784 53.986 16.209 1.00 0.00 C ATOM 524 CG LYS A 33 47.706 55.209 17.119 1.00 0.00 C ATOM 525 CD LYS A 33 47.388 56.510 16.388 1.00 0.00 C ATOM 526 CE LYS A 33 47.257 57.637 17.409 1.00 0.00 C ATOM 527 NZ LYS A 33 46.910 58.919 16.777 1.00 0.00 N ATOM 0 H LYS A 33 48.356 52.043 14.808 1.00 0.00 H new ATOM 0 HA LYS A 33 48.721 54.902 14.493 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.816 53.855 15.724 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.952 53.105 16.829 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.943 55.036 17.878 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.656 55.321 17.641 1.00 0.00 H new ATOM 0 HD2 LYS A 33 48.176 56.741 15.672 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.463 56.406 15.821 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.493 57.376 18.141 1.00 0.00 H new ATOM 0 HE3 LYS A 33 48.196 57.744 17.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 46.831 59.656 17.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 47.652 59.183 16.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 46.001 58.826 16.279 1.00 0.00 H new ATOM 541 N GLU A 34 50.893 53.188 16.236 1.00 0.00 N ATOM 542 CA GLU A 34 52.094 53.248 17.045 1.00 0.00 C ATOM 543 C GLU A 34 53.349 52.663 16.394 1.00 0.00 C ATOM 544 O GLU A 34 54.444 52.846 16.922 1.00 0.00 O ATOM 545 CB GLU A 34 51.837 52.545 18.375 1.00 0.00 C ATOM 546 CG GLU A 34 50.786 53.215 19.256 1.00 0.00 C ATOM 547 CD GLU A 34 51.216 54.618 19.686 1.00 0.00 C ATOM 548 OE1 GLU A 34 50.552 55.609 19.311 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.266 54.755 20.351 1.00 0.00 O ATOM 0 H GLU A 34 50.562 52.233 16.097 1.00 0.00 H new ATOM 0 HA GLU A 34 52.306 54.309 17.180 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.524 51.520 18.175 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.774 52.490 18.929 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.842 53.274 18.714 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.609 52.602 20.140 1.00 0.00 H new ATOM 556 N GLY A 35 53.230 51.962 15.270 1.00 0.00 N ATOM 557 CA GLY A 35 54.365 51.434 14.541 1.00 0.00 C ATOM 558 C GLY A 35 55.030 50.193 15.140 1.00 0.00 C ATOM 559 O GLY A 35 56.202 49.940 14.867 1.00 0.00 O ATOM 0 H GLY A 35 52.331 51.746 14.840 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.041 51.195 13.528 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.116 52.220 14.459 1.00 0.00 H new ATOM 563 N ILE A 36 54.298 49.419 15.934 1.00 0.00 N ATOM 564 CA ILE A 36 54.741 48.172 16.525 1.00 0.00 C ATOM 565 C ILE A 36 54.036 47.024 15.800 1.00 0.00 C ATOM 566 O ILE A 36 52.816 46.928 15.915 1.00 0.00 O ATOM 567 CB ILE A 36 54.475 48.172 18.028 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.206 49.318 18.721 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.891 46.838 18.641 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.918 49.465 20.213 1.00 0.00 C ATOM 0 H ILE A 36 53.340 49.658 16.191 1.00 0.00 H new ATOM 0 HA ILE A 36 55.817 48.046 16.407 1.00 0.00 H new ATOM 0 HB ILE A 36 53.405 48.314 18.177 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.279 49.178 18.586 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.941 50.251 18.223 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.695 46.853 19.713 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.321 46.032 18.180 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.955 46.674 18.469 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.485 50.306 20.612 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.853 49.642 20.362 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.211 48.552 20.732 1.00 0.00 H new ATOM 582 N PRO A 37 54.731 46.160 15.064 1.00 0.00 N ATOM 583 CA PRO A 37 54.144 45.002 14.422 1.00 0.00 C ATOM 584 C PRO A 37 53.417 44.054 15.379 1.00 0.00 C ATOM 585 O PRO A 37 53.830 43.912 16.527 1.00 0.00 O ATOM 586 CB PRO A 37 55.291 44.291 13.708 1.00 0.00 C ATOM 587 CG PRO A 37 56.279 45.417 13.421 1.00 0.00 C ATOM 588 CD PRO A 37 56.105 46.324 14.637 1.00 0.00 C ATOM 0 HA PRO A 37 53.364 45.329 13.734 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.735 43.516 14.333 1.00 0.00 H new ATOM 0 HB3 PRO A 37 54.955 43.807 12.791 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.301 45.048 13.332 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.045 45.935 12.491 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.797 46.047 15.433 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.313 47.363 14.382 1.00 0.00 H new ATOM 596 N PRO A 38 52.348 43.389 14.950 1.00 0.00 N ATOM 597 CA PRO A 38 51.475 42.645 15.836 1.00 0.00 C ATOM 598 C PRO A 38 52.142 41.413 16.452 1.00 0.00 C ATOM 599 O PRO A 38 51.795 41.046 17.573 1.00 0.00 O ATOM 600 CB PRO A 38 50.250 42.288 14.998 1.00 0.00 C ATOM 601 CG PRO A 38 50.802 42.223 13.575 1.00 0.00 C ATOM 602 CD PRO A 38 51.832 43.349 13.597 1.00 0.00 C ATOM 0 HA PRO A 38 51.205 43.247 16.704 1.00 0.00 H new ATOM 0 HB2 PRO A 38 49.817 41.336 15.305 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.466 43.040 15.091 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.255 41.257 13.355 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.027 42.390 12.826 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.631 43.161 12.880 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.376 44.301 13.325 1.00 0.00 H new ATOM 610 N ASP A 39 53.148 40.828 15.810 1.00 0.00 N ATOM 611 CA ASP A 39 53.934 39.734 16.344 1.00 0.00 C ATOM 612 C ASP A 39 54.801 40.122 17.543 1.00 0.00 C ATOM 613 O ASP A 39 55.263 39.249 18.275 1.00 0.00 O ATOM 614 CB ASP A 39 54.749 39.094 15.224 1.00 0.00 C ATOM 615 CG ASP A 39 55.679 40.059 14.485 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.171 40.990 13.822 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.910 39.844 14.493 1.00 0.00 O ATOM 0 H ASP A 39 53.443 41.114 14.877 1.00 0.00 H new ATOM 0 HA ASP A 39 53.236 38.998 16.742 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.346 38.284 15.643 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.064 38.646 14.504 1.00 0.00 H new ATOM 622 N GLN A 40 54.993 41.415 17.787 1.00 0.00 N ATOM 623 CA GLN A 40 55.705 41.959 18.926 1.00 0.00 C ATOM 624 C GLN A 40 54.787 42.327 20.093 1.00 0.00 C ATOM 625 O GLN A 40 55.271 42.592 21.192 1.00 0.00 O ATOM 626 CB GLN A 40 56.517 43.174 18.487 1.00 0.00 C ATOM 627 CG GLN A 40 57.471 42.896 17.328 1.00 0.00 C ATOM 628 CD GLN A 40 58.258 44.127 16.875 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.142 45.239 17.386 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.082 43.960 15.845 1.00 0.00 N ATOM 0 H GLN A 40 54.638 42.141 17.164 1.00 0.00 H new ATOM 0 HA GLN A 40 56.367 41.176 19.294 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.832 43.971 18.197 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.092 43.541 19.337 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.172 42.116 17.624 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.901 42.509 16.484 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.183 43.040 15.417 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.613 44.752 15.483 1.00 0.00 H new ATOM 639 N GLN A 41 53.474 42.343 19.881 1.00 0.00 N ATOM 640 CA GLN A 41 52.485 42.768 20.851 1.00 0.00 C ATOM 641 C GLN A 41 51.820 41.589 21.563 1.00 0.00 C ATOM 642 O GLN A 41 51.456 40.609 20.916 1.00 0.00 O ATOM 643 CB GLN A 41 51.389 43.579 20.166 1.00 0.00 C ATOM 644 CG GLN A 41 51.806 44.854 19.439 1.00 0.00 C ATOM 645 CD GLN A 41 50.590 45.485 18.757 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.485 45.499 19.294 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.698 45.992 17.533 1.00 0.00 N ATOM 0 H GLN A 41 53.061 42.049 18.996 1.00 0.00 H new ATOM 0 HA GLN A 41 53.016 43.370 21.588 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.890 42.930 19.447 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.649 43.848 20.920 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.245 45.559 20.145 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.572 44.627 18.698 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.602 45.995 17.060 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.877 46.378 17.067 1.00 0.00 H new ATOM 656 N ARG A 42 51.531 41.729 22.853 1.00 0.00 N ATOM 657 CA ARG A 42 50.537 40.937 23.549 1.00 0.00 C ATOM 658 C ARG A 42 49.621 41.826 24.394 1.00 0.00 C ATOM 659 O ARG A 42 50.108 42.739 25.056 1.00 0.00 O ATOM 660 CB ARG A 42 51.181 39.863 24.421 1.00 0.00 C ATOM 661 CG ARG A 42 52.023 38.865 23.632 1.00 0.00 C ATOM 662 CD ARG A 42 52.442 37.684 24.503 1.00 0.00 C ATOM 663 NE ARG A 42 51.335 36.760 24.748 1.00 0.00 N ATOM 664 CZ ARG A 42 51.418 35.545 25.307 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.579 35.000 25.696 1.00 0.00 N ATOM 666 NH2 ARG A 42 50.298 34.834 25.494 1.00 0.00 N ATOM 0 H ARG A 42 51.994 42.413 23.452 1.00 0.00 H new ATOM 0 HA ARG A 42 49.935 40.437 22.790 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.809 40.343 25.171 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.400 39.324 24.957 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.455 38.504 22.775 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.910 39.363 23.240 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.259 37.149 24.019 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.822 38.054 25.455 1.00 0.00 H new ATOM 0 HE ARG A 42 50.406 37.072 24.465 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.451 35.514 25.571 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.591 34.071 26.117 1.00 0.00 H new ATOM 0 HH21 ARG A 42 49.397 35.219 25.212 1.00 0.00 H new ATOM 0 HH22 ARG A 42 50.347 33.908 25.918 1.00 0.00 H new ATOM 680 N LEU A 43 48.318 41.560 24.393 1.00 0.00 N ATOM 681 CA LEU A 43 47.334 42.277 25.179 1.00 0.00 C ATOM 682 C LEU A 43 46.920 41.496 26.428 1.00 0.00 C ATOM 683 O LEU A 43 46.837 40.271 26.404 1.00 0.00 O ATOM 684 CB LEU A 43 46.139 42.651 24.307 1.00 0.00 C ATOM 685 CG LEU A 43 46.435 43.608 23.156 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.166 43.866 22.348 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.949 44.964 23.630 1.00 0.00 C ATOM 0 H LEU A 43 47.911 40.816 23.826 1.00 0.00 H new ATOM 0 HA LEU A 43 47.789 43.199 25.540 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.713 41.736 23.895 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.375 43.100 24.942 1.00 0.00 H new ATOM 0 HG LEU A 43 47.206 43.125 22.556 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.389 44.550 21.529 1.00 0.00 H new ATOM 0 HD12 LEU A 43 44.795 42.925 21.943 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.407 44.308 22.994 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.142 45.602 22.767 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.201 45.434 24.268 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.872 44.827 24.193 1.00 0.00 H new ATOM 699 N ILE A 44 46.662 42.218 27.516 1.00 0.00 N ATOM 700 CA ILE A 44 46.274 41.701 28.812 1.00 0.00 C ATOM 701 C ILE A 44 45.074 42.474 29.362 1.00 0.00 C ATOM 702 O ILE A 44 45.057 43.703 29.325 1.00 0.00 O ATOM 703 CB ILE A 44 47.449 41.706 29.786 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.634 40.909 29.249 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.040 41.193 31.163 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.865 40.860 30.148 1.00 0.00 C ATOM 0 H ILE A 44 46.724 43.236 27.509 1.00 0.00 H new ATOM 0 HA ILE A 44 45.970 40.662 28.688 1.00 0.00 H new ATOM 0 HB ILE A 44 47.764 42.744 29.891 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.305 39.887 29.061 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.926 41.332 28.288 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.903 41.211 31.829 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.254 41.829 31.570 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.671 40.171 31.076 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.643 40.268 29.667 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.232 41.872 30.318 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.601 40.405 31.102 1.00 0.00 H new ATOM 718 N PHE A 45 44.083 41.771 29.901 1.00 0.00 N ATOM 719 CA PHE A 45 42.931 42.341 30.573 1.00 0.00 C ATOM 720 C PHE A 45 42.365 41.390 31.629 1.00 0.00 C ATOM 721 O PHE A 45 42.288 40.188 31.384 1.00 0.00 O ATOM 722 CB PHE A 45 41.856 42.654 29.537 1.00 0.00 C ATOM 723 CG PHE A 45 40.618 43.322 30.084 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.695 44.619 30.606 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.381 42.669 30.027 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.536 45.277 31.037 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.220 43.332 30.444 1.00 0.00 C ATOM 728 CZ PHE A 45 38.295 44.637 30.943 1.00 0.00 C ATOM 0 H PHE A 45 44.064 40.751 29.878 1.00 0.00 H new ATOM 0 HA PHE A 45 43.247 43.252 31.082 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.288 43.296 28.770 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.563 41.725 29.047 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.652 45.114 30.677 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.322 41.654 29.662 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.600 46.276 31.441 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.264 42.834 30.380 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.397 45.149 31.255 1.00 0.00 H new ATOM 738 N ALA A 46 41.953 41.894 32.788 1.00 0.00 N ATOM 739 CA ALA A 46 41.410 41.112 33.881 1.00 0.00 C ATOM 740 C ALA A 46 42.256 39.895 34.262 1.00 0.00 C ATOM 741 O ALA A 46 41.738 38.812 34.528 1.00 0.00 O ATOM 742 CB ALA A 46 39.946 40.794 33.593 1.00 0.00 C ATOM 0 H ALA A 46 41.991 42.892 32.994 1.00 0.00 H new ATOM 0 HA ALA A 46 41.452 41.718 34.786 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.533 40.206 34.413 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.384 41.723 33.494 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.873 40.226 32.666 1.00 0.00 H new ATOM 748 N GLY A 47 43.576 40.042 34.211 1.00 0.00 N ATOM 749 CA GLY A 47 44.562 38.998 34.409 1.00 0.00 C ATOM 750 C GLY A 47 44.743 38.005 33.261 1.00 0.00 C ATOM 751 O GLY A 47 45.727 37.270 33.270 1.00 0.00 O ATOM 0 H GLY A 47 44.006 40.947 34.019 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.524 39.470 34.607 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.292 38.439 35.305 1.00 0.00 H new ATOM 755 N LYS A 48 43.865 37.981 32.261 1.00 0.00 N ATOM 756 CA LYS A 48 43.927 37.121 31.097 1.00 0.00 C ATOM 757 C LYS A 48 44.947 37.655 30.089 1.00 0.00 C ATOM 758 O LYS A 48 44.899 38.834 29.746 1.00 0.00 O ATOM 759 CB LYS A 48 42.564 37.050 30.414 1.00 0.00 C ATOM 760 CG LYS A 48 41.382 36.554 31.242 1.00 0.00 C ATOM 761 CD LYS A 48 41.331 35.034 31.373 1.00 0.00 C ATOM 762 CE LYS A 48 40.131 34.547 32.181 1.00 0.00 C ATOM 763 NZ LYS A 48 38.841 34.871 31.554 1.00 0.00 N ATOM 0 H LYS A 48 43.051 38.596 32.247 1.00 0.00 H new ATOM 0 HA LYS A 48 44.225 36.128 31.432 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.321 38.047 30.046 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.659 36.402 29.542 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.434 36.996 32.237 1.00 0.00 H new ATOM 0 HG3 LYS A 48 40.456 36.904 30.786 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.297 34.590 30.378 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.248 34.684 31.847 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.203 33.467 32.312 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.166 34.992 33.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.072 34.414 32.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.701 35.902 31.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.836 34.527 30.573 1.00 0.00 H new ATOM 777 N GLN A 49 45.816 36.800 29.559 1.00 0.00 N ATOM 778 CA GLN A 49 46.536 37.065 28.330 1.00 0.00 C ATOM 779 C GLN A 49 45.590 36.780 27.162 1.00 0.00 C ATOM 780 O GLN A 49 44.959 35.725 27.142 1.00 0.00 O ATOM 781 CB GLN A 49 47.806 36.224 28.252 1.00 0.00 C ATOM 782 CG GLN A 49 48.830 36.552 29.334 1.00 0.00 C ATOM 783 CD GLN A 49 50.068 35.659 29.240 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.077 34.513 29.683 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.153 36.105 28.612 1.00 0.00 N ATOM 0 H GLN A 49 46.038 35.897 29.979 1.00 0.00 H new ATOM 0 HA GLN A 49 46.856 38.106 28.292 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.538 35.170 28.326 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.266 36.367 27.274 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.129 37.597 29.246 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.371 36.434 30.316 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.171 37.053 28.235 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.967 35.499 28.507 1.00 0.00 H new ATOM 794 N LEU A 50 45.441 37.714 26.227 1.00 0.00 N ATOM 795 CA LEU A 50 44.399 37.689 25.221 1.00 0.00 C ATOM 796 C LEU A 50 44.913 37.115 23.898 1.00 0.00 C ATOM 797 O LEU A 50 46.014 37.457 23.474 1.00 0.00 O ATOM 798 CB LEU A 50 43.813 39.087 25.045 1.00 0.00 C ATOM 799 CG LEU A 50 43.433 39.835 26.319 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.786 41.171 25.958 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.468 39.065 27.217 1.00 0.00 C ATOM 0 H LEU A 50 46.057 38.523 26.151 1.00 0.00 H new ATOM 0 HA LEU A 50 43.603 37.026 25.559 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.535 39.692 24.497 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.924 39.007 24.419 1.00 0.00 H new ATOM 0 HG LEU A 50 44.360 39.973 26.875 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.516 41.703 26.870 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.490 41.772 25.382 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.890 40.993 25.363 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.243 39.659 28.103 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.546 38.863 26.672 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.925 38.122 27.518 1.00 0.00 H new ATOM 813 N GLU A 51 44.132 36.269 23.233 1.00 0.00 N ATOM 814 CA GLU A 51 44.540 35.499 22.075 1.00 0.00 C ATOM 815 C GLU A 51 43.945 36.025 20.766 1.00 0.00 C ATOM 816 O GLU A 51 42.752 36.308 20.690 1.00 0.00 O ATOM 817 CB GLU A 51 44.177 34.029 22.260 1.00 0.00 C ATOM 818 CG GLU A 51 45.011 33.347 23.340 1.00 0.00 C ATOM 819 CD GLU A 51 44.459 31.961 23.684 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.304 31.109 22.783 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.176 31.707 24.875 1.00 0.00 O ATOM 0 H GLU A 51 43.163 36.099 23.500 1.00 0.00 H new ATOM 0 HA GLU A 51 45.622 35.605 21.997 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.121 33.950 22.518 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.314 33.504 21.315 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.043 33.255 23.000 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.025 33.967 24.236 1.00 0.00 H new ATOM 828 N ASP A 52 44.757 36.085 19.714 1.00 0.00 N ATOM 829 CA ASP A 52 44.455 36.637 18.410 1.00 0.00 C ATOM 830 C ASP A 52 43.162 36.135 17.762 1.00 0.00 C ATOM 831 O ASP A 52 42.531 36.885 17.021 1.00 0.00 O ATOM 832 CB ASP A 52 45.630 36.361 17.476 1.00 0.00 C ATOM 833 CG ASP A 52 46.934 37.013 17.939 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.656 36.389 18.747 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.240 38.146 17.506 1.00 0.00 O ATOM 0 H ASP A 52 45.709 35.722 19.761 1.00 0.00 H new ATOM 0 HA ASP A 52 44.295 37.703 18.571 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.778 35.284 17.397 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.385 36.723 16.478 1.00 0.00 H new ATOM 840 N GLY A 53 42.753 34.899 18.031 1.00 0.00 N ATOM 841 CA GLY A 53 41.561 34.279 17.487 1.00 0.00 C ATOM 842 C GLY A 53 40.236 34.671 18.145 1.00 0.00 C ATOM 843 O GLY A 53 39.193 34.327 17.594 1.00 0.00 O ATOM 0 H GLY A 53 43.267 34.282 18.660 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.502 34.522 16.426 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.673 33.197 17.560 1.00 0.00 H new ATOM 847 N ARG A 54 40.238 35.354 19.286 1.00 0.00 N ATOM 848 CA ARG A 54 39.053 35.766 20.012 1.00 0.00 C ATOM 849 C ARG A 54 38.791 37.267 19.866 1.00 0.00 C ATOM 850 O ARG A 54 39.647 37.991 19.362 1.00 0.00 O ATOM 851 CB ARG A 54 39.161 35.333 21.471 1.00 0.00 C ATOM 852 CG ARG A 54 39.403 33.849 21.726 1.00 0.00 C ATOM 853 CD ARG A 54 38.465 32.877 21.014 1.00 0.00 C ATOM 854 NE ARG A 54 37.049 33.114 21.294 1.00 0.00 N ATOM 855 CZ ARG A 54 36.351 32.759 22.381 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.902 32.118 23.422 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.045 33.050 22.436 1.00 0.00 N ATOM 0 H ARG A 54 41.102 35.644 19.744 1.00 0.00 H new ATOM 0 HA ARG A 54 38.187 35.268 19.577 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.972 35.895 21.934 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.242 35.621 21.981 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.426 33.614 21.432 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.330 33.670 22.799 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.630 32.948 19.939 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.719 31.859 21.309 1.00 0.00 H new ATOM 0 HE ARG A 54 36.528 33.611 20.572 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.894 31.880 23.408 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.329 31.868 24.228 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.597 33.534 21.658 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.498 32.787 23.256 1.00 0.00 H new ATOM 871 N THR A 55 37.617 37.740 20.271 1.00 0.00 N ATOM 872 CA THR A 55 37.184 39.117 20.142 1.00 0.00 C ATOM 873 C THR A 55 37.022 39.824 21.489 1.00 0.00 C ATOM 874 O THR A 55 36.894 39.174 22.524 1.00 0.00 O ATOM 875 CB THR A 55 35.900 39.259 19.329 1.00 0.00 C ATOM 876 OG1 THR A 55 34.791 38.783 20.058 1.00 0.00 O ATOM 877 CG2 THR A 55 35.911 38.522 17.993 1.00 0.00 C ATOM 0 H THR A 55 36.917 37.146 20.715 1.00 0.00 H new ATOM 0 HA THR A 55 37.991 39.609 19.598 1.00 0.00 H new ATOM 0 HB THR A 55 35.828 40.327 19.125 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.904 37.826 20.237 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.960 38.678 17.484 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.722 38.905 17.373 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.059 37.456 18.167 1.00 0.00 H new ATOM 885 N LEU A 56 36.993 41.153 21.478 1.00 0.00 N ATOM 886 CA LEU A 56 36.893 41.971 22.670 1.00 0.00 C ATOM 887 C LEU A 56 35.730 41.586 23.585 1.00 0.00 C ATOM 888 O LEU A 56 35.920 41.414 24.787 1.00 0.00 O ATOM 889 CB LEU A 56 36.800 43.440 22.266 1.00 0.00 C ATOM 890 CG LEU A 56 38.037 44.033 21.600 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.797 45.516 21.332 1.00 0.00 C ATOM 892 CD2 LEU A 56 39.288 43.929 22.468 1.00 0.00 C ATOM 0 H LEU A 56 37.040 41.699 20.617 1.00 0.00 H new ATOM 0 HA LEU A 56 37.795 41.796 23.256 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.956 43.556 21.586 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.575 44.027 23.157 1.00 0.00 H new ATOM 0 HG LEU A 56 38.201 43.465 20.684 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.678 45.947 20.856 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.935 45.632 20.674 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.606 46.030 22.274 1.00 0.00 H new ATOM 0 HD21 LEU A 56 40.135 44.368 21.940 1.00 0.00 H new ATOM 0 HD22 LEU A 56 39.127 44.464 23.404 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.497 42.881 22.681 1.00 0.00 H new ATOM 904 N SER A 57 34.534 41.396 23.035 1.00 0.00 N ATOM 905 CA SER A 57 33.367 41.018 23.807 1.00 0.00 C ATOM 906 C SER A 57 33.465 39.637 24.460 1.00 0.00 C ATOM 907 O SER A 57 32.890 39.444 25.528 1.00 0.00 O ATOM 908 CB SER A 57 32.102 41.076 22.955 1.00 0.00 C ATOM 909 OG SER A 57 32.247 40.306 21.783 1.00 0.00 O ATOM 0 H SER A 57 34.352 41.502 22.037 1.00 0.00 H new ATOM 0 HA SER A 57 33.318 41.750 24.613 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.253 40.710 23.532 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.885 42.111 22.690 1.00 0.00 H new ATOM 0 HG SER A 57 32.725 40.828 21.105 1.00 0.00 H new ATOM 915 N ASP A 58 34.226 38.701 23.900 1.00 0.00 N ATOM 916 CA ASP A 58 34.409 37.389 24.488 1.00 0.00 C ATOM 917 C ASP A 58 35.173 37.459 25.812 1.00 0.00 C ATOM 918 O ASP A 58 34.879 36.702 26.736 1.00 0.00 O ATOM 919 CB ASP A 58 35.140 36.457 23.526 1.00 0.00 C ATOM 920 CG ASP A 58 34.487 36.361 22.146 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.256 36.174 22.037 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.218 36.459 21.136 1.00 0.00 O ATOM 0 H ASP A 58 34.731 38.837 23.024 1.00 0.00 H new ATOM 0 HA ASP A 58 33.414 36.992 24.688 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.167 36.803 23.409 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.188 35.461 23.965 1.00 0.00 H new ATOM 927 N TYR A 59 36.083 38.420 25.939 1.00 0.00 N ATOM 928 CA TYR A 59 36.795 38.755 27.156 1.00 0.00 C ATOM 929 C TYR A 59 36.077 39.782 28.033 1.00 0.00 C ATOM 930 O TYR A 59 36.666 40.291 28.984 1.00 0.00 O ATOM 931 CB TYR A 59 38.216 39.193 26.809 1.00 0.00 C ATOM 932 CG TYR A 59 39.047 38.142 26.113 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.402 36.977 26.803 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.512 38.356 24.810 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.230 36.021 26.201 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.355 37.417 24.204 1.00 0.00 C ATOM 937 CZ TYR A 59 40.711 36.242 24.896 1.00 0.00 C ATOM 938 OH TYR A 59 41.528 35.326 24.300 1.00 0.00 O ATOM 0 H TYR A 59 36.353 39.012 25.154 1.00 0.00 H new ATOM 0 HA TYR A 59 36.832 37.854 27.768 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.164 40.076 26.172 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.724 39.490 27.726 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.035 36.814 27.806 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.220 39.246 24.272 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.498 35.121 26.734 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.732 37.593 23.207 1.00 0.00 H new ATOM 0 HH TYR A 59 40.985 34.672 23.812 1.00 0.00 H new ATOM 948 N ASN A 60 34.814 40.095 27.757 1.00 0.00 N ATOM 949 CA ASN A 60 34.024 41.062 28.492 1.00 0.00 C ATOM 950 C ASN A 60 34.613 42.474 28.495 1.00 0.00 C ATOM 951 O ASN A 60 34.468 43.222 29.460 1.00 0.00 O ATOM 952 CB ASN A 60 33.658 40.482 29.856 1.00 0.00 C ATOM 953 CG ASN A 60 32.475 41.197 30.514 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.611 41.866 31.536 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.274 41.057 29.961 1.00 0.00 N ATOM 0 H ASN A 60 34.300 39.664 26.988 1.00 0.00 H new ATOM 0 HA ASN A 60 33.085 41.231 27.964 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.418 39.425 29.742 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.524 40.543 30.515 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.462 41.506 30.385 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.165 40.501 29.113 1.00 0.00 H new ATOM 962 N ILE A 61 35.285 42.864 27.416 1.00 0.00 N ATOM 963 CA ILE A 61 35.765 44.215 27.209 1.00 0.00 C ATOM 964 C ILE A 61 34.610 45.056 26.661 1.00 0.00 C ATOM 965 O ILE A 61 34.035 44.732 25.623 1.00 0.00 O ATOM 966 CB ILE A 61 37.000 44.223 26.313 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.160 43.489 26.980 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.404 45.646 25.939 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.275 43.064 26.029 1.00 0.00 C ATOM 0 H ILE A 61 35.513 42.232 26.649 1.00 0.00 H new ATOM 0 HA ILE A 61 36.090 44.658 28.150 1.00 0.00 H new ATOM 0 HB ILE A 61 36.746 43.696 25.393 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.584 44.132 27.751 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.771 42.603 27.482 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.287 45.618 25.300 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.585 46.128 25.405 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.629 46.210 26.844 1.00 0.00 H new ATOM 0 HD11 ILE A 61 40.056 42.550 26.590 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.871 42.392 25.271 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.696 43.945 25.545 1.00 0.00 H new ATOM 981 N GLN A 62 34.279 46.130 27.371 1.00 0.00 N ATOM 982 CA GLN A 62 33.257 47.098 27.027 1.00 0.00 C ATOM 983 C GLN A 62 33.840 48.480 26.725 1.00 0.00 C ATOM 984 O GLN A 62 35.022 48.730 26.951 1.00 0.00 O ATOM 985 CB GLN A 62 32.203 47.149 28.130 1.00 0.00 C ATOM 986 CG GLN A 62 32.732 47.608 29.485 1.00 0.00 C ATOM 987 CD GLN A 62 31.647 47.952 30.506 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.480 48.189 30.200 1.00 0.00 O ATOM 989 NE2 GLN A 62 32.034 48.056 31.775 1.00 0.00 N ATOM 0 H GLN A 62 34.746 46.356 28.249 1.00 0.00 H new ATOM 0 HA GLN A 62 32.778 46.773 26.104 1.00 0.00 H new ATOM 0 HB2 GLN A 62 31.402 47.820 27.820 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.763 46.158 28.242 1.00 0.00 H new ATOM 0 HG2 GLN A 62 33.366 46.823 29.898 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.364 48.484 29.336 1.00 0.00 H new ATOM 0 HE21 GLN A 62 33.002 47.860 32.031 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.363 48.332 32.492 1.00 0.00 H new ATOM 998 N LYS A 63 33.000 49.403 26.264 1.00 0.00 N ATOM 999 CA LYS A 63 33.312 50.804 26.066 1.00 0.00 C ATOM 1000 C LYS A 63 34.038 51.460 27.243 1.00 0.00 C ATOM 1001 O LYS A 63 33.711 51.226 28.404 1.00 0.00 O ATOM 1002 CB LYS A 63 32.018 51.536 25.723 1.00 0.00 C ATOM 1003 CG LYS A 63 31.003 51.559 26.863 1.00 0.00 C ATOM 1004 CD LYS A 63 29.644 52.060 26.383 1.00 0.00 C ATOM 1005 CE LYS A 63 28.611 52.034 27.505 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.966 52.953 28.598 1.00 0.00 N ATOM 0 H LYS A 63 32.039 49.177 26.008 1.00 0.00 H new ATOM 0 HA LYS A 63 34.024 50.875 25.243 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.256 52.561 25.440 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.563 51.062 24.853 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.898 50.557 27.280 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.368 52.201 27.665 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.743 53.076 26.002 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.299 51.441 25.555 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.634 52.305 27.105 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.525 51.020 27.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.165 53.035 29.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.795 52.585 29.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.189 53.890 28.205 1.00 0.00 H new ATOM 1020 N GLU A 64 35.048 52.269 26.940 1.00 0.00 N ATOM 1021 CA GLU A 64 35.949 52.931 27.861 1.00 0.00 C ATOM 1022 C GLU A 64 36.716 52.022 28.824 1.00 0.00 C ATOM 1023 O GLU A 64 37.292 52.513 29.792 1.00 0.00 O ATOM 1024 CB GLU A 64 35.290 54.120 28.554 1.00 0.00 C ATOM 1025 CG GLU A 64 34.863 55.260 27.636 1.00 0.00 C ATOM 1026 CD GLU A 64 33.437 55.141 27.093 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.507 54.902 27.892 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.235 55.401 25.887 1.00 0.00 O ATOM 0 H GLU A 64 35.270 52.492 25.970 1.00 0.00 H new ATOM 0 HA GLU A 64 36.740 53.320 27.220 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.413 53.763 29.094 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.983 54.515 29.297 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.953 56.200 28.180 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.555 55.310 26.795 1.00 0.00 H new ATOM 1035 N SER A 65 36.779 50.713 28.597 1.00 0.00 N ATOM 1036 CA SER A 65 37.653 49.835 29.349 1.00 0.00 C ATOM 1037 C SER A 65 39.126 50.175 29.119 1.00 0.00 C ATOM 1038 O SER A 65 39.501 50.652 28.051 1.00 0.00 O ATOM 1039 CB SER A 65 37.456 48.365 28.994 1.00 0.00 C ATOM 1040 OG SER A 65 36.121 47.961 29.205 1.00 0.00 O ATOM 0 H SER A 65 36.224 50.237 27.886 1.00 0.00 H new ATOM 0 HA SER A 65 37.385 49.992 30.394 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.727 48.201 27.951 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.124 47.750 29.597 1.00 0.00 H new ATOM 0 HG SER A 65 35.527 48.478 28.622 1.00 0.00 H new ATOM 1046 N THR A 66 39.973 49.868 30.099 1.00 0.00 N ATOM 1047 CA THR A 66 41.414 49.973 29.994 1.00 0.00 C ATOM 1048 C THR A 66 42.038 48.580 29.869 1.00 0.00 C ATOM 1049 O THR A 66 41.855 47.740 30.746 1.00 0.00 O ATOM 1050 CB THR A 66 41.989 50.731 31.186 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.680 52.104 31.091 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.512 50.684 31.266 1.00 0.00 C ATOM 0 H THR A 66 39.661 49.531 31.010 1.00 0.00 H new ATOM 0 HA THR A 66 41.659 50.538 29.095 1.00 0.00 H new ATOM 0 HB THR A 66 41.550 50.244 32.057 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.054 52.578 31.863 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.848 51.244 32.138 1.00 0.00 H new ATOM 0 HG22 THR A 66 43.840 49.648 31.352 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.937 51.126 30.365 1.00 0.00 H new ATOM 1060 N LEU A 67 42.807 48.364 28.806 1.00 0.00 N ATOM 1061 CA LEU A 67 43.617 47.186 28.568 1.00 0.00 C ATOM 1062 C LEU A 67 45.088 47.490 28.861 1.00 0.00 C ATOM 1063 O LEU A 67 45.478 48.656 28.882 1.00 0.00 O ATOM 1064 CB LEU A 67 43.447 46.701 27.131 1.00 0.00 C ATOM 1065 CG LEU A 67 42.038 46.699 26.545 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.066 46.066 25.158 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.031 45.923 27.388 1.00 0.00 C ATOM 0 H LEU A 67 42.882 49.045 28.051 1.00 0.00 H new ATOM 0 HA LEU A 67 43.284 46.393 29.238 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.075 47.321 26.491 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.836 45.685 27.072 1.00 0.00 H new ATOM 0 HG LEU A 67 41.720 47.741 26.514 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.060 46.064 24.739 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.728 46.640 24.510 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.430 45.041 25.233 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.051 45.963 26.913 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.351 44.884 27.473 1.00 0.00 H new ATOM 0 HD23 LEU A 67 40.971 46.366 28.382 1.00 0.00 H new ATOM 1079 N HIS A 68 45.925 46.467 29.002 1.00 0.00 N ATOM 1080 CA HIS A 68 47.367 46.604 29.041 1.00 0.00 C ATOM 1081 C HIS A 68 48.016 45.959 27.814 1.00 0.00 C ATOM 1082 O HIS A 68 47.525 44.953 27.306 1.00 0.00 O ATOM 1083 CB HIS A 68 47.926 46.026 30.339 1.00 0.00 C ATOM 1084 CG HIS A 68 47.467 46.756 31.572 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.102 47.856 32.146 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.362 46.438 32.318 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.373 48.179 33.217 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.326 47.348 33.357 1.00 0.00 N ATOM 0 H HIS A 68 45.608 45.502 29.094 1.00 0.00 H new ATOM 0 HA HIS A 68 47.610 47.666 29.015 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.632 44.979 30.417 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.015 46.049 30.298 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.661 45.638 32.131 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.595 49.000 33.883 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.628 47.383 34.100 1.00 0.00 H new ATOM 1096 N LEU A 69 49.130 46.524 27.356 1.00 0.00 N ATOM 1097 CA LEU A 69 49.927 46.074 26.233 1.00 0.00 C ATOM 1098 C LEU A 69 51.354 45.768 26.694 1.00 0.00 C ATOM 1099 O LEU A 69 52.022 46.628 27.262 1.00 0.00 O ATOM 1100 CB LEU A 69 49.878 47.152 25.154 1.00 0.00 C ATOM 1101 CG LEU A 69 50.874 47.016 24.006 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.659 45.760 23.166 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.761 48.217 23.071 1.00 0.00 C ATOM 0 H LEU A 69 49.519 47.360 27.791 1.00 0.00 H new ATOM 0 HA LEU A 69 49.531 45.149 25.815 1.00 0.00 H new ATOM 0 HB2 LEU A 69 48.873 47.167 24.733 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.038 48.119 25.631 1.00 0.00 H new ATOM 0 HG LEU A 69 51.858 46.956 24.472 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.400 45.725 22.368 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.764 44.878 23.797 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.659 45.779 22.732 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.476 48.111 22.255 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.751 48.268 22.665 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.976 49.131 23.625 1.00 0.00 H new ATOM 1115 N VAL A 70 51.840 44.568 26.387 1.00 0.00 N ATOM 1116 CA VAL A 70 53.213 44.140 26.559 1.00 0.00 C ATOM 1117 C VAL A 70 53.906 44.080 25.196 1.00 0.00 C ATOM 1118 O VAL A 70 53.367 43.530 24.238 1.00 0.00 O ATOM 1119 CB VAL A 70 53.287 42.799 27.285 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.729 42.353 27.508 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.611 42.864 28.651 1.00 0.00 C ATOM 0 H VAL A 70 51.251 43.835 25.992 1.00 0.00 H new ATOM 0 HA VAL A 70 53.734 44.866 27.182 1.00 0.00 H new ATOM 0 HB VAL A 70 52.772 42.085 26.642 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.737 41.395 28.027 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.230 42.249 26.546 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.251 43.097 28.110 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.683 41.892 29.139 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.105 43.616 29.266 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.561 43.130 28.525 1.00 0.00 H new ATOM 1131 N LEU A 71 55.113 44.636 25.130 1.00 0.00 N ATOM 1132 CA LEU A 71 56.017 44.572 23.999 1.00 0.00 C ATOM 1133 C LEU A 71 57.084 43.509 24.270 1.00 0.00 C ATOM 1134 O LEU A 71 57.942 43.711 25.125 1.00 0.00 O ATOM 1135 CB LEU A 71 56.597 45.968 23.787 1.00 0.00 C ATOM 1136 CG LEU A 71 57.689 46.077 22.726 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.220 45.597 21.356 1.00 0.00 C ATOM 1138 CD2 LEU A 71 58.127 47.534 22.603 1.00 0.00 C ATOM 0 H LEU A 71 55.501 45.170 25.908 1.00 0.00 H new ATOM 0 HA LEU A 71 55.509 44.276 23.081 1.00 0.00 H new ATOM 0 HB2 LEU A 71 55.784 46.642 23.516 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.001 46.321 24.736 1.00 0.00 H new ATOM 0 HG LEU A 71 58.514 45.440 23.044 1.00 0.00 H new ATOM 0 HD11 LEU A 71 58.034 45.695 20.638 1.00 0.00 H new ATOM 0 HD12 LEU A 71 56.918 44.552 21.421 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.373 46.200 21.029 1.00 0.00 H new ATOM 0 HD21 LEU A 71 58.907 47.617 21.846 1.00 0.00 H new ATOM 0 HD22 LEU A 71 57.274 48.147 22.313 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.513 47.880 23.562 1.00 0.00 H new ATOM 1150 N ARG A 72 57.051 42.391 23.551 1.00 0.00 N ATOM 1151 CA ARG A 72 58.082 41.376 23.637 1.00 0.00 C ATOM 1152 C ARG A 72 59.345 41.842 22.912 1.00 0.00 C ATOM 1153 O ARG A 72 59.332 42.045 21.699 1.00 0.00 O ATOM 1154 CB ARG A 72 57.601 39.994 23.202 1.00 0.00 C ATOM 1155 CG ARG A 72 56.914 39.922 21.842 1.00 0.00 C ATOM 1156 CD ARG A 72 57.043 38.554 21.178 1.00 0.00 C ATOM 1157 NE ARG A 72 56.226 37.512 21.801 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.004 37.105 21.431 1.00 0.00 C ATOM 1159 NH1 ARG A 72 54.270 37.681 20.469 1.00 0.00 N ATOM 1160 NH2 ARG A 72 54.436 36.050 22.030 1.00 0.00 N ATOM 0 H ARG A 72 56.305 42.168 22.892 1.00 0.00 H new ATOM 0 HA ARG A 72 58.339 41.248 24.688 1.00 0.00 H new ATOM 0 HB2 ARG A 72 58.458 39.320 23.190 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.910 39.618 23.956 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.858 40.163 21.962 1.00 0.00 H new ATOM 0 HG3 ARG A 72 57.341 40.680 21.185 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.762 38.643 20.128 1.00 0.00 H new ATOM 0 HD3 ARG A 72 58.088 38.246 21.204 1.00 0.00 H new ATOM 0 HE ARG A 72 56.633 37.042 22.609 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.636 38.487 19.962 1.00 0.00 H new ATOM 0 HH12 ARG A 72 53.346 37.313 20.243 1.00 0.00 H new ATOM 0 HH21 ARG A 72 54.934 35.554 22.770 1.00 0.00 H new ATOM 0 HH22 ARG A 72 53.506 35.742 21.746 1.00 0.00 H new ATOM 1174 N LEU A 73 60.439 42.012 23.648 1.00 0.00 N ATOM 1175 CA LEU A 73 61.718 42.442 23.120 1.00 0.00 C ATOM 1176 C LEU A 73 62.577 41.256 22.674 1.00 0.00 C ATOM 1177 O LEU A 73 63.078 41.256 21.551 1.00 0.00 O ATOM 1178 CB LEU A 73 62.441 43.312 24.143 1.00 0.00 C ATOM 1179 CG LEU A 73 61.771 44.644 24.469 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.578 45.383 25.533 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.660 45.558 23.252 1.00 0.00 C ATOM 0 H LEU A 73 60.455 41.849 24.655 1.00 0.00 H new ATOM 0 HA LEU A 73 61.535 43.042 22.229 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.546 42.743 25.067 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.447 43.513 23.776 1.00 0.00 H new ATOM 0 HG LEU A 73 60.767 44.408 24.821 1.00 0.00 H new ATOM 0 HD11 LEU A 73 62.095 46.333 25.762 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.630 44.776 26.437 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.586 45.569 25.162 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.176 46.491 23.541 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.656 45.771 22.865 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.068 45.066 22.480 1.00 0.00 H new ATOM 1193 N ARG A 74 62.699 40.219 23.497 1.00 0.00 N ATOM 1194 CA ARG A 74 63.502 39.056 23.179 1.00 0.00 C ATOM 1195 C ARG A 74 62.912 38.255 22.016 1.00 0.00 C ATOM 1196 O ARG A 74 63.624 37.983 21.052 1.00 0.00 O ATOM 1197 CB ARG A 74 63.728 38.205 24.425 1.00 0.00 C ATOM 1198 CG ARG A 74 64.973 37.336 24.272 1.00 0.00 C ATOM 1199 CD ARG A 74 65.057 36.280 25.371 1.00 0.00 C ATOM 1200 NE ARG A 74 66.335 35.569 25.352 1.00 0.00 N ATOM 1201 CZ ARG A 74 66.685 34.521 24.593 1.00 0.00 C ATOM 1202 NH1 ARG A 74 65.922 34.052 23.596 1.00 0.00 N ATOM 1203 NH2 ARG A 74 67.836 33.885 24.845 1.00 0.00 N ATOM 0 H ARG A 74 62.239 40.167 24.406 1.00 0.00 H new ATOM 0 HA ARG A 74 64.479 39.399 22.838 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.835 38.851 25.297 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.858 37.573 24.601 1.00 0.00 H new ATOM 0 HG2 ARG A 74 64.960 36.848 23.297 1.00 0.00 H new ATOM 0 HG3 ARG A 74 65.863 37.965 24.302 1.00 0.00 H new ATOM 0 HD2 ARG A 74 64.922 36.756 26.342 1.00 0.00 H new ATOM 0 HD3 ARG A 74 64.243 35.565 25.250 1.00 0.00 H new ATOM 0 HE ARG A 74 67.048 35.913 25.996 1.00 0.00 H new ATOM 0 HH11 ARG A 74 65.028 34.496 23.385 1.00 0.00 H new ATOM 0 HH12 ARG A 74 66.235 33.251 23.048 1.00 0.00 H new ATOM 0 HH21 ARG A 74 68.436 34.199 25.608 1.00 0.00 H new ATOM 0 HH22 ARG A 74 68.113 33.086 24.274 1.00 0.00 H new ATOM 1217 N GLY A 75 61.625 37.927 22.064 1.00 0.00 N ATOM 1218 CA GLY A 75 60.928 37.167 21.045 1.00 0.00 C ATOM 1219 C GLY A 75 60.359 37.974 19.877 1.00 0.00 C ATOM 1220 O GLY A 75 59.589 37.420 19.095 1.00 0.00 O ATOM 0 H GLY A 75 61.022 38.195 22.842 1.00 0.00 H new ATOM 0 HA2 GLY A 75 61.614 36.420 20.645 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.109 36.626 21.520 1.00 0.00 H new ATOM 1224 N GLY A 76 60.654 39.268 19.779 1.00 0.00 N ATOM 1225 CA GLY A 76 60.114 40.185 18.796 1.00 0.00 C ATOM 1226 C GLY A 76 60.914 40.243 17.494 1.00 0.00 C ATOM 1227 O GLY A 76 60.410 39.721 16.476 1.00 0.00 O ATOM 1228 OXT GLY A 76 62.003 40.857 17.500 1.00 0.00 O ATOM 0 H GLY A 76 61.308 39.721 20.417 1.00 0.00 H new ATOM 0 HA2 GLY A 76 59.089 39.894 18.568 1.00 0.00 H new ATOM 0 HA3 GLY A 76 60.073 41.184 19.230 1.00 0.00 H new TER 1232 GLY A 76