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 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 1.22 (180deg=1.2) USER MOD Single : A 2 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.17) 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= 0.00697 USER MOD Single : A 22 THR OG1 : rot 137:sc= 1.29 USER MOD Single : A 25 ASN : amide:sc= 1.16 K(o=1.2,f=-0.24) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 0.76 (180deg=0.09!) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 1.3 (180deg=1.17) USER MOD Single : A 31 GLN : amide:sc= -0.914 X(o=-0.91,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ -143:sc= 1.33 (180deg=0.354) USER MOD Single : A 40 GLN : amide:sc= 0.889 K(o=0.89,f=-0.0021) USER MOD Single : A 41 GLN : amide:sc= 1.23 K(o=1.2,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.864 K(o=0.86,f=0) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.499 USER MOD Single : A 60 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.57) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 61:sc= 1.58 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.242 52.652 19.746 1.00 0.00 N ATOM 2 CA MET A 1 33.414 52.786 21.201 1.00 0.00 C ATOM 3 C MET A 1 34.900 52.889 21.550 1.00 0.00 C ATOM 4 O MET A 1 35.718 52.218 20.925 1.00 0.00 O ATOM 5 CB MET A 1 32.714 51.691 22.001 1.00 0.00 C ATOM 6 CG MET A 1 33.308 50.291 21.874 1.00 0.00 C ATOM 7 SD MET A 1 32.529 49.051 22.937 1.00 0.00 S ATOM 8 CE MET A 1 33.733 47.707 22.793 1.00 0.00 C ATOM 0 H1 MET A 1 32.229 52.685 19.512 1.00 0.00 H new ATOM 0 H2 MET A 1 33.734 53.432 19.265 1.00 0.00 H new ATOM 0 H3 MET A 1 33.641 51.744 19.431 1.00 0.00 H new ATOM 0 HA MET A 1 32.920 53.712 21.496 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.723 51.975 23.053 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.670 51.652 21.690 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.225 49.967 20.837 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.371 50.338 22.109 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.404 46.858 23.392 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.817 47.404 21.749 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.704 48.049 23.151 1.00 0.00 H new ATOM 20 N GLN A 2 35.241 53.691 22.555 1.00 0.00 N ATOM 21 CA GLN A 2 36.603 53.908 23.000 1.00 0.00 C ATOM 22 C GLN A 2 37.093 52.780 23.911 1.00 0.00 C ATOM 23 O GLN A 2 36.381 52.351 24.816 1.00 0.00 O ATOM 24 CB GLN A 2 36.676 55.264 23.697 1.00 0.00 C ATOM 25 CG GLN A 2 38.042 55.572 24.303 1.00 0.00 C ATOM 26 CD GLN A 2 38.129 57.032 24.754 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.744 57.863 24.088 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.512 57.408 25.871 1.00 0.00 N ATOM 0 H GLN A 2 34.554 54.220 23.093 1.00 0.00 H new ATOM 0 HA GLN A 2 37.267 53.906 22.135 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.423 56.045 22.980 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.923 55.298 24.485 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.223 54.914 25.153 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.823 55.367 23.570 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.001 56.722 26.427 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.550 58.382 26.172 1.00 0.00 H new ATOM 37 N ILE A 3 38.351 52.388 23.734 1.00 0.00 N ATOM 38 CA ILE A 3 39.143 51.667 24.710 1.00 0.00 C ATOM 39 C ILE A 3 40.508 52.331 24.895 1.00 0.00 C ATOM 40 O ILE A 3 41.050 52.946 23.979 1.00 0.00 O ATOM 41 CB ILE A 3 39.276 50.183 24.375 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.944 49.944 23.024 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.918 49.496 24.473 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.251 48.479 22.724 1.00 0.00 C ATOM 0 H ILE A 3 38.862 52.574 22.871 1.00 0.00 H new ATOM 0 HA ILE A 3 38.610 51.716 25.660 1.00 0.00 H new ATOM 0 HB ILE A 3 39.939 49.735 25.115 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.298 50.336 22.238 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.873 50.513 22.986 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.027 48.439 24.232 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.530 49.599 25.487 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.225 49.959 23.771 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.724 48.399 21.745 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.924 48.085 23.486 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.324 47.905 22.726 1.00 0.00 H new ATOM 56 N PHE A 4 41.080 52.180 26.086 1.00 0.00 N ATOM 57 CA PHE A 4 42.421 52.619 26.415 1.00 0.00 C ATOM 58 C PHE A 4 43.414 51.458 26.323 1.00 0.00 C ATOM 59 O PHE A 4 43.050 50.309 26.558 1.00 0.00 O ATOM 60 CB PHE A 4 42.459 53.251 27.803 1.00 0.00 C ATOM 61 CG PHE A 4 41.387 54.279 28.074 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.544 55.592 27.613 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.236 53.927 28.789 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.541 56.542 27.839 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.237 54.877 29.028 1.00 0.00 C ATOM 66 CZ PHE A 4 39.387 56.183 28.546 1.00 0.00 C ATOM 0 H PHE A 4 40.603 51.734 26.869 1.00 0.00 H new ATOM 0 HA PHE A 4 42.715 53.375 25.687 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.376 52.459 28.547 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.433 53.720 27.944 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.441 55.872 27.082 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.119 52.919 29.157 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.657 57.550 27.469 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.352 54.603 29.583 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.612 56.914 28.720 1.00 0.00 H new ATOM 76 N VAL A 5 44.680 51.752 26.043 1.00 0.00 N ATOM 77 CA VAL A 5 45.783 50.816 26.127 1.00 0.00 C ATOM 78 C VAL A 5 46.941 51.468 26.885 1.00 0.00 C ATOM 79 O VAL A 5 47.443 52.510 26.471 1.00 0.00 O ATOM 80 CB VAL A 5 46.236 50.312 24.760 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.198 49.136 24.910 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.086 49.853 23.869 1.00 0.00 C ATOM 0 H VAL A 5 44.970 52.682 25.741 1.00 0.00 H new ATOM 0 HA VAL A 5 45.436 49.937 26.670 1.00 0.00 H new ATOM 0 HB VAL A 5 46.721 51.166 24.287 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.509 48.792 23.923 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.074 49.452 25.476 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.699 48.323 25.437 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.481 49.508 22.914 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.551 49.038 24.356 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.403 50.685 23.700 1.00 0.00 H new ATOM 92 N LYS A 6 47.378 50.864 27.987 1.00 0.00 N ATOM 93 CA LYS A 6 48.585 51.235 28.698 1.00 0.00 C ATOM 94 C LYS A 6 49.793 50.502 28.114 1.00 0.00 C ATOM 95 O LYS A 6 49.716 49.294 27.898 1.00 0.00 O ATOM 96 CB LYS A 6 48.431 50.936 30.186 1.00 0.00 C ATOM 97 CG LYS A 6 47.687 52.044 30.927 1.00 0.00 C ATOM 98 CD LYS A 6 47.379 51.705 32.383 1.00 0.00 C ATOM 99 CE LYS A 6 48.561 51.262 33.240 1.00 0.00 C ATOM 100 NZ LYS A 6 49.588 52.302 33.407 1.00 0.00 N ATOM 0 H LYS A 6 46.884 50.082 28.417 1.00 0.00 H new ATOM 0 HA LYS A 6 48.750 52.306 28.580 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.895 49.995 30.311 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.417 50.803 30.631 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.283 52.956 30.893 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.753 52.254 30.406 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.928 52.580 32.850 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.630 50.913 32.399 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.195 50.963 34.222 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.017 50.381 32.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.361 51.935 33.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.963 52.572 32.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.167 53.135 33.865 1.00 0.00 H new ATOM 114 N THR A 7 50.914 51.193 27.928 1.00 0.00 N ATOM 115 CA THR A 7 52.216 50.592 27.720 1.00 0.00 C ATOM 116 C THR A 7 53.119 50.850 28.929 1.00 0.00 C ATOM 117 O THR A 7 53.032 51.890 29.576 1.00 0.00 O ATOM 118 CB THR A 7 52.841 50.991 26.386 1.00 0.00 C ATOM 119 OG1 THR A 7 54.154 50.500 26.244 1.00 0.00 O ATOM 120 CG2 THR A 7 52.922 52.497 26.156 1.00 0.00 C ATOM 0 H THR A 7 50.936 52.213 27.919 1.00 0.00 H new ATOM 0 HA THR A 7 52.087 49.512 27.644 1.00 0.00 H new ATOM 0 HB THR A 7 52.165 50.548 25.655 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.515 50.777 25.376 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.378 52.693 25.186 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.919 52.923 26.178 1.00 0.00 H new ATOM 0 HG23 THR A 7 53.527 52.953 26.940 1.00 0.00 H new ATOM 128 N LEU A 8 53.939 49.867 29.288 1.00 0.00 N ATOM 129 CA LEU A 8 54.561 49.766 30.592 1.00 0.00 C ATOM 130 C LEU A 8 55.641 50.814 30.865 1.00 0.00 C ATOM 131 O LEU A 8 55.966 51.038 32.028 1.00 0.00 O ATOM 132 CB LEU A 8 55.101 48.354 30.805 1.00 0.00 C ATOM 133 CG LEU A 8 54.096 47.213 30.677 1.00 0.00 C ATOM 134 CD1 LEU A 8 54.761 45.898 31.072 1.00 0.00 C ATOM 135 CD2 LEU A 8 52.857 47.384 31.553 1.00 0.00 C ATOM 0 H LEU A 8 54.192 49.103 28.661 1.00 0.00 H new ATOM 0 HA LEU A 8 53.776 49.978 31.318 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.903 48.184 30.087 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.547 48.306 31.798 1.00 0.00 H new ATOM 0 HG LEU A 8 53.774 47.215 29.636 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.042 45.084 30.980 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.610 45.708 30.415 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.107 45.961 32.104 1.00 0.00 H new ATOM 0 HD21 LEU A 8 52.189 46.535 31.408 1.00 0.00 H new ATOM 0 HD22 LEU A 8 53.156 47.436 32.600 1.00 0.00 H new ATOM 0 HD23 LEU A 8 52.340 48.303 31.277 1.00 0.00 H new ATOM 147 N THR A 9 56.155 51.510 29.854 1.00 0.00 N ATOM 148 CA THR A 9 57.044 52.643 30.011 1.00 0.00 C ATOM 149 C THR A 9 56.346 53.945 30.407 1.00 0.00 C ATOM 150 O THR A 9 57.030 54.895 30.785 1.00 0.00 O ATOM 151 CB THR A 9 57.907 52.847 28.768 1.00 0.00 C ATOM 152 OG1 THR A 9 57.131 52.712 27.599 1.00 0.00 O ATOM 153 CG2 THR A 9 59.025 51.810 28.724 1.00 0.00 C ATOM 0 H THR A 9 55.955 51.290 28.878 1.00 0.00 H new ATOM 0 HA THR A 9 57.685 52.385 30.854 1.00 0.00 H new ATOM 0 HB THR A 9 58.330 53.851 28.817 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.699 52.847 26.812 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.632 51.967 27.833 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.650 51.911 29.611 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.593 50.810 28.697 1.00 0.00 H new ATOM 161 N GLY A 10 55.018 53.998 30.382 1.00 0.00 N ATOM 162 CA GLY A 10 54.245 55.051 31.008 1.00 0.00 C ATOM 163 C GLY A 10 53.040 55.532 30.197 1.00 0.00 C ATOM 164 O GLY A 10 51.981 55.749 30.782 1.00 0.00 O ATOM 0 H GLY A 10 54.444 53.295 29.916 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.895 54.698 31.978 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.901 55.901 31.196 1.00 0.00 H new ATOM 168 N LYS A 11 53.151 55.676 28.880 1.00 0.00 N ATOM 169 CA LYS A 11 52.132 56.364 28.113 1.00 0.00 C ATOM 170 C LYS A 11 50.840 55.562 27.950 1.00 0.00 C ATOM 171 O LYS A 11 50.852 54.333 27.954 1.00 0.00 O ATOM 172 CB LYS A 11 52.682 56.953 26.817 1.00 0.00 C ATOM 173 CG LYS A 11 52.816 55.996 25.636 1.00 0.00 C ATOM 174 CD LYS A 11 53.321 56.725 24.395 1.00 0.00 C ATOM 175 CE LYS A 11 53.153 55.845 23.159 1.00 0.00 C ATOM 176 NZ LYS A 11 53.504 56.552 21.917 1.00 0.00 N ATOM 0 H LYS A 11 53.934 55.325 28.329 1.00 0.00 H new ATOM 0 HA LYS A 11 51.826 57.223 28.710 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.036 57.778 26.516 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.664 57.377 27.025 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.503 55.190 25.893 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.850 55.537 25.424 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.772 57.657 24.264 1.00 0.00 H new ATOM 0 HD3 LYS A 11 54.371 56.989 24.522 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.779 54.959 23.259 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.121 55.501 23.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.278 55.950 21.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.961 57.437 21.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.521 56.769 21.917 1.00 0.00 H new ATOM 190 N THR A 12 49.726 56.273 27.791 1.00 0.00 N ATOM 191 CA THR A 12 48.417 55.727 27.493 1.00 0.00 C ATOM 192 C THR A 12 48.030 56.066 26.051 1.00 0.00 C ATOM 193 O THR A 12 48.372 57.126 25.533 1.00 0.00 O ATOM 194 CB THR A 12 47.358 56.190 28.490 1.00 0.00 C ATOM 195 OG1 THR A 12 47.729 55.809 29.795 1.00 0.00 O ATOM 196 CG2 THR A 12 45.994 55.542 28.270 1.00 0.00 C ATOM 0 H THR A 12 49.718 57.290 27.871 1.00 0.00 H new ATOM 0 HA THR A 12 48.469 54.643 27.593 1.00 0.00 H new ATOM 0 HB THR A 12 47.290 57.269 28.351 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.046 56.110 30.430 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.289 55.916 29.013 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.632 55.786 27.271 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.085 54.460 28.368 1.00 0.00 H new ATOM 204 N ILE A 13 47.344 55.135 25.396 1.00 0.00 N ATOM 205 CA ILE A 13 46.934 55.133 24.006 1.00 0.00 C ATOM 206 C ILE A 13 45.415 54.956 23.957 1.00 0.00 C ATOM 207 O ILE A 13 44.859 54.275 24.818 1.00 0.00 O ATOM 208 CB ILE A 13 47.679 54.011 23.289 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.183 54.257 23.234 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.169 53.741 21.877 1.00 0.00 C ATOM 211 CD1 ILE A 13 50.012 52.976 23.199 1.00 0.00 C ATOM 0 H ILE A 13 47.036 54.288 25.873 1.00 0.00 H new ATOM 0 HA ILE A 13 47.178 56.069 23.503 1.00 0.00 H new ATOM 0 HB ILE A 13 47.478 53.127 23.893 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.413 54.853 22.351 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.478 54.847 24.102 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.746 52.931 21.430 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.117 53.457 21.918 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.279 54.641 21.272 1.00 0.00 H new ATOM 0 HD11 ILE A 13 51.071 53.229 23.160 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.812 52.388 24.095 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.746 52.394 22.317 1.00 0.00 H new ATOM 223 N THR A 14 44.726 55.528 22.974 1.00 0.00 N ATOM 224 CA THR A 14 43.308 55.340 22.751 1.00 0.00 C ATOM 225 C THR A 14 43.010 54.720 21.383 1.00 0.00 C ATOM 226 O THR A 14 43.579 55.146 20.381 1.00 0.00 O ATOM 227 CB THR A 14 42.508 56.634 22.870 1.00 0.00 C ATOM 228 OG1 THR A 14 43.156 57.712 22.234 1.00 0.00 O ATOM 229 CG2 THR A 14 42.263 57.022 24.326 1.00 0.00 C ATOM 0 H THR A 14 45.158 56.153 22.294 1.00 0.00 H new ATOM 0 HA THR A 14 42.997 54.656 23.541 1.00 0.00 H new ATOM 0 HB THR A 14 41.555 56.436 22.379 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.613 58.522 22.330 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.690 57.949 24.364 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.705 56.230 24.825 1.00 0.00 H new ATOM 0 HG23 THR A 14 43.219 57.165 24.830 1.00 0.00 H new ATOM 237 N LEU A 15 42.094 53.757 21.341 1.00 0.00 N ATOM 238 CA LEU A 15 41.596 53.133 20.133 1.00 0.00 C ATOM 239 C LEU A 15 40.068 53.203 20.076 1.00 0.00 C ATOM 240 O LEU A 15 39.403 53.128 21.108 1.00 0.00 O ATOM 241 CB LEU A 15 42.039 51.675 20.055 1.00 0.00 C ATOM 242 CG LEU A 15 43.530 51.392 20.214 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.745 49.883 20.287 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.380 51.941 19.072 1.00 0.00 C ATOM 0 H LEU A 15 41.665 53.379 22.186 1.00 0.00 H new ATOM 0 HA LEU A 15 42.010 53.678 19.285 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.505 51.118 20.825 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.720 51.275 19.092 1.00 0.00 H new ATOM 0 HG LEU A 15 43.847 51.895 21.127 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.808 49.672 20.401 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.202 49.479 21.141 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.379 49.419 19.371 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.428 51.703 19.252 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.061 51.490 18.132 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.258 53.023 19.015 1.00 0.00 H new ATOM 256 N GLU A 16 39.513 53.275 18.870 1.00 0.00 N ATOM 257 CA GLU A 16 38.100 53.086 18.612 1.00 0.00 C ATOM 258 C GLU A 16 37.846 51.694 18.031 1.00 0.00 C ATOM 259 O GLU A 16 38.487 51.285 17.064 1.00 0.00 O ATOM 260 CB GLU A 16 37.565 54.176 17.687 1.00 0.00 C ATOM 261 CG GLU A 16 37.600 55.576 18.295 1.00 0.00 C ATOM 262 CD GLU A 16 36.553 55.841 19.379 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.477 55.204 19.384 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.767 56.781 20.176 1.00 0.00 O ATOM 0 H GLU A 16 40.053 53.472 18.027 1.00 0.00 H new ATOM 0 HA GLU A 16 37.563 53.163 19.557 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.148 54.176 16.766 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.538 53.935 17.414 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.590 55.746 18.719 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.466 56.305 17.496 1.00 0.00 H new ATOM 271 N VAL A 17 36.922 50.953 18.635 1.00 0.00 N ATOM 272 CA VAL A 17 36.575 49.583 18.312 1.00 0.00 C ATOM 273 C VAL A 17 35.060 49.365 18.323 1.00 0.00 C ATOM 274 O VAL A 17 34.300 50.243 18.726 1.00 0.00 O ATOM 275 CB VAL A 17 37.265 48.610 19.261 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.787 48.665 19.153 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.867 48.823 20.719 1.00 0.00 C ATOM 0 H VAL A 17 36.366 51.319 19.408 1.00 0.00 H new ATOM 0 HA VAL A 17 36.929 49.388 17.300 1.00 0.00 H new ATOM 0 HB VAL A 17 36.922 47.625 18.944 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.227 47.952 19.850 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.089 48.412 18.137 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.133 49.670 19.395 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.389 48.102 21.348 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.136 49.834 21.026 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.791 48.686 20.826 1.00 0.00 H new ATOM 287 N GLU A 18 34.621 48.168 17.944 1.00 0.00 N ATOM 288 CA GLU A 18 33.311 47.616 18.220 1.00 0.00 C ATOM 289 C GLU A 18 33.464 46.285 18.957 1.00 0.00 C ATOM 290 O GLU A 18 34.491 45.629 18.801 1.00 0.00 O ATOM 291 CB GLU A 18 32.526 47.467 16.919 1.00 0.00 C ATOM 292 CG GLU A 18 32.092 48.829 16.384 1.00 0.00 C ATOM 293 CD GLU A 18 31.186 48.751 15.155 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.472 49.743 14.889 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.229 47.765 14.387 1.00 0.00 O ATOM 0 H GLU A 18 35.206 47.528 17.407 1.00 0.00 H new ATOM 0 HA GLU A 18 32.747 48.290 18.864 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.140 46.959 16.175 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.649 46.842 17.089 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.571 49.370 17.174 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.980 49.410 16.133 1.00 0.00 H new ATOM 302 N PRO A 19 32.504 45.835 19.761 1.00 0.00 N ATOM 303 CA PRO A 19 32.651 44.634 20.559 1.00 0.00 C ATOM 304 C PRO A 19 32.746 43.343 19.744 1.00 0.00 C ATOM 305 O PRO A 19 33.152 42.314 20.279 1.00 0.00 O ATOM 306 CB PRO A 19 31.468 44.632 21.525 1.00 0.00 C ATOM 307 CG PRO A 19 30.398 45.427 20.782 1.00 0.00 C ATOM 308 CD PRO A 19 31.226 46.464 20.029 1.00 0.00 C ATOM 0 HA PRO A 19 33.604 44.654 21.087 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.133 43.619 21.747 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.726 45.098 22.476 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.821 44.798 20.104 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.689 45.892 21.466 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.734 46.758 19.102 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.353 47.369 20.624 1.00 0.00 H new ATOM 316 N SER A 20 32.420 43.370 18.455 1.00 0.00 N ATOM 317 CA SER A 20 32.622 42.273 17.532 1.00 0.00 C ATOM 318 C SER A 20 34.054 42.143 17.010 1.00 0.00 C ATOM 319 O SER A 20 34.359 41.149 16.353 1.00 0.00 O ATOM 320 CB SER A 20 31.649 42.408 16.364 1.00 0.00 C ATOM 321 OG SER A 20 31.785 43.664 15.738 1.00 0.00 O ATOM 0 H SER A 20 31.994 44.186 18.016 1.00 0.00 H new ATOM 0 HA SER A 20 32.431 41.359 18.095 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.832 41.614 15.640 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.627 42.284 16.721 1.00 0.00 H new ATOM 0 HG SER A 20 31.153 43.728 14.992 1.00 0.00 H new ATOM 327 N ASP A 21 34.940 43.098 17.275 1.00 0.00 N ATOM 328 CA ASP A 21 36.298 43.095 16.771 1.00 0.00 C ATOM 329 C ASP A 21 37.153 41.980 17.377 1.00 0.00 C ATOM 330 O ASP A 21 36.868 41.487 18.467 1.00 0.00 O ATOM 331 CB ASP A 21 36.924 44.477 16.939 1.00 0.00 C ATOM 332 CG ASP A 21 38.068 44.776 15.969 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.352 43.948 15.076 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.628 45.892 16.035 1.00 0.00 O ATOM 0 H ASP A 21 34.725 43.908 17.857 1.00 0.00 H new ATOM 0 HA ASP A 21 36.259 42.872 15.705 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.148 45.232 16.810 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.295 44.573 17.959 1.00 0.00 H new ATOM 339 N THR A 22 38.214 41.575 16.685 1.00 0.00 N ATOM 340 CA THR A 22 39.079 40.460 17.016 1.00 0.00 C ATOM 341 C THR A 22 40.435 40.913 17.559 1.00 0.00 C ATOM 342 O THR A 22 40.947 41.962 17.174 1.00 0.00 O ATOM 343 CB THR A 22 39.279 39.520 15.829 1.00 0.00 C ATOM 344 OG1 THR A 22 39.712 40.203 14.674 1.00 0.00 O ATOM 345 CG2 THR A 22 38.013 38.759 15.446 1.00 0.00 C ATOM 0 H THR A 22 38.505 42.048 15.829 1.00 0.00 H new ATOM 0 HA THR A 22 38.567 39.913 17.807 1.00 0.00 H new ATOM 0 HB THR A 22 40.041 38.819 16.171 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.422 39.689 14.237 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.222 38.109 14.596 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.681 38.156 16.291 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.230 39.468 15.176 1.00 0.00 H new ATOM 353 N ILE A 23 41.047 40.111 18.426 1.00 0.00 N ATOM 354 CA ILE A 23 42.262 40.483 19.120 1.00 0.00 C ATOM 355 C ILE A 23 43.440 40.727 18.175 1.00 0.00 C ATOM 356 O ILE A 23 44.180 41.686 18.386 1.00 0.00 O ATOM 357 CB ILE A 23 42.576 39.464 20.212 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.526 39.417 21.319 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.961 39.647 20.825 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.317 40.700 22.119 1.00 0.00 C ATOM 0 H ILE A 23 40.706 39.180 18.664 1.00 0.00 H new ATOM 0 HA ILE A 23 42.090 41.446 19.600 1.00 0.00 H new ATOM 0 HB ILE A 23 42.558 38.507 19.691 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.573 39.135 20.872 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.799 38.623 22.014 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.121 38.891 21.594 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.719 39.541 20.049 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.033 40.639 21.271 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.547 40.537 22.873 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.250 40.980 22.608 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.004 41.500 21.448 1.00 0.00 H new ATOM 372 N GLU A 24 43.596 39.962 17.099 1.00 0.00 N ATOM 373 CA GLU A 24 44.643 40.203 16.128 1.00 0.00 C ATOM 374 C GLU A 24 44.448 41.531 15.392 1.00 0.00 C ATOM 375 O GLU A 24 45.407 42.256 15.134 1.00 0.00 O ATOM 376 CB GLU A 24 44.815 39.004 15.201 1.00 0.00 C ATOM 377 CG GLU A 24 44.477 39.169 13.721 1.00 0.00 C ATOM 378 CD GLU A 24 42.994 39.325 13.383 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.132 39.323 14.288 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.670 39.443 12.182 1.00 0.00 O ATOM 0 H GLU A 24 43.000 39.163 16.882 1.00 0.00 H new ATOM 0 HA GLU A 24 45.587 40.312 16.663 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.853 38.679 15.269 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.201 38.193 15.592 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.009 40.042 13.343 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.862 38.303 13.182 1.00 0.00 H new ATOM 387 N ASN A 25 43.200 41.885 15.103 1.00 0.00 N ATOM 388 CA ASN A 25 42.847 43.135 14.459 1.00 0.00 C ATOM 389 C ASN A 25 42.998 44.336 15.396 1.00 0.00 C ATOM 390 O ASN A 25 43.354 45.420 14.938 1.00 0.00 O ATOM 391 CB ASN A 25 41.445 43.002 13.871 1.00 0.00 C ATOM 392 CG ASN A 25 41.132 44.095 12.848 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.925 44.396 11.958 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.967 44.729 12.936 1.00 0.00 N ATOM 0 H ASN A 25 42.394 41.297 15.316 1.00 0.00 H new ATOM 0 HA ASN A 25 43.545 43.335 13.646 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.345 42.026 13.397 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.712 43.042 14.676 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.734 45.462 12.267 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.306 44.482 13.673 1.00 0.00 H new ATOM 401 N VAL A 26 42.860 44.159 16.706 1.00 0.00 N ATOM 402 CA VAL A 26 43.203 45.175 17.680 1.00 0.00 C ATOM 403 C VAL A 26 44.718 45.366 17.781 1.00 0.00 C ATOM 404 O VAL A 26 45.164 46.512 17.806 1.00 0.00 O ATOM 405 CB VAL A 26 42.538 44.917 19.029 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.996 45.888 20.114 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.027 45.086 18.896 1.00 0.00 C ATOM 0 H VAL A 26 42.504 43.297 17.119 1.00 0.00 H new ATOM 0 HA VAL A 26 42.799 46.124 17.327 1.00 0.00 H new ATOM 0 HB VAL A 26 42.819 43.904 19.317 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.488 45.654 21.050 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.073 45.797 20.253 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.754 46.908 19.815 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.554 44.901 19.860 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.802 46.101 18.570 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.645 44.376 18.163 1.00 0.00 H new ATOM 417 N LYS A 27 45.529 44.315 17.708 1.00 0.00 N ATOM 418 CA LYS A 27 46.959 44.462 17.529 1.00 0.00 C ATOM 419 C LYS A 27 47.304 45.200 16.234 1.00 0.00 C ATOM 420 O LYS A 27 48.239 45.996 16.221 1.00 0.00 O ATOM 421 CB LYS A 27 47.685 43.121 17.551 1.00 0.00 C ATOM 422 CG LYS A 27 47.690 42.399 18.896 1.00 0.00 C ATOM 423 CD LYS A 27 48.446 41.080 18.753 1.00 0.00 C ATOM 424 CE LYS A 27 48.489 40.281 20.052 1.00 0.00 C ATOM 425 NZ LYS A 27 48.973 38.914 19.803 1.00 0.00 N ATOM 0 H LYS A 27 45.212 43.348 17.771 1.00 0.00 H new ATOM 0 HA LYS A 27 47.300 45.058 18.376 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.227 42.467 16.809 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.717 43.281 17.240 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.162 43.022 19.655 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.668 42.213 19.226 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.974 40.478 17.977 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.465 41.284 18.423 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.141 40.778 20.770 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.494 40.245 20.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.701 38.299 20.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.552 38.551 18.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.009 38.924 19.713 1.00 0.00 H new ATOM 439 N ALA A 28 46.538 45.006 15.164 1.00 0.00 N ATOM 440 CA ALA A 28 46.697 45.727 13.917 1.00 0.00 C ATOM 441 C ALA A 28 46.279 47.197 13.996 1.00 0.00 C ATOM 442 O ALA A 28 46.877 48.018 13.303 1.00 0.00 O ATOM 443 CB ALA A 28 45.963 44.979 12.808 1.00 0.00 C ATOM 0 H ALA A 28 45.776 44.328 15.145 1.00 0.00 H new ATOM 0 HA ALA A 28 47.762 45.760 13.689 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.079 45.517 11.867 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.380 43.977 12.707 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.904 44.907 13.056 1.00 0.00 H new ATOM 449 N LYS A 29 45.348 47.577 14.865 1.00 0.00 N ATOM 450 CA LYS A 29 45.044 48.957 15.185 1.00 0.00 C ATOM 451 C LYS A 29 46.172 49.615 15.981 1.00 0.00 C ATOM 452 O LYS A 29 46.538 50.751 15.689 1.00 0.00 O ATOM 453 CB LYS A 29 43.711 49.086 15.919 1.00 0.00 C ATOM 454 CG LYS A 29 42.502 48.827 15.026 1.00 0.00 C ATOM 455 CD LYS A 29 41.179 48.977 15.773 1.00 0.00 C ATOM 456 CE LYS A 29 39.966 48.940 14.847 1.00 0.00 C ATOM 457 NZ LYS A 29 39.768 47.631 14.207 1.00 0.00 N ATOM 0 H LYS A 29 44.771 46.910 15.378 1.00 0.00 H new ATOM 0 HA LYS A 29 44.954 49.488 14.238 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.694 48.385 16.753 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.633 50.087 16.343 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.521 49.520 14.185 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.569 47.821 14.612 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.091 48.179 16.510 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.182 49.919 16.322 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.073 49.198 15.417 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.082 49.701 14.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.078 47.723 13.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.673 47.291 13.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.413 46.951 14.909 1.00 0.00 H new ATOM 471 N ILE A 30 46.786 48.902 16.922 1.00 0.00 N ATOM 472 CA ILE A 30 47.979 49.349 17.614 1.00 0.00 C ATOM 473 C ILE A 30 49.134 49.532 16.627 1.00 0.00 C ATOM 474 O ILE A 30 49.829 50.544 16.678 1.00 0.00 O ATOM 475 CB ILE A 30 48.329 48.418 18.771 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.238 48.468 19.836 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.684 48.760 19.384 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.318 47.379 20.901 1.00 0.00 C ATOM 0 H ILE A 30 46.459 47.985 17.225 1.00 0.00 H new ATOM 0 HA ILE A 30 47.782 50.325 18.058 1.00 0.00 H new ATOM 0 HB ILE A 30 48.395 47.406 18.372 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.278 49.439 20.329 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.268 48.401 19.343 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.896 48.074 20.204 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.460 48.668 18.625 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.665 49.782 19.762 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.499 47.502 21.610 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.243 46.400 20.427 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.269 47.455 21.428 1.00 0.00 H new ATOM 490 N GLN A 31 49.311 48.621 15.674 1.00 0.00 N ATOM 491 CA GLN A 31 50.286 48.762 14.611 1.00 0.00 C ATOM 492 C GLN A 31 50.026 49.991 13.737 1.00 0.00 C ATOM 493 O GLN A 31 50.969 50.695 13.386 1.00 0.00 O ATOM 494 CB GLN A 31 50.303 47.483 13.779 1.00 0.00 C ATOM 495 CG GLN A 31 51.436 47.474 12.756 1.00 0.00 C ATOM 496 CD GLN A 31 51.481 46.188 11.928 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.540 45.400 11.860 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.611 45.908 11.285 1.00 0.00 N ATOM 0 H GLN A 31 48.772 47.756 15.623 1.00 0.00 H new ATOM 0 HA GLN A 31 51.266 48.918 15.062 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.407 46.623 14.441 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.349 47.375 13.263 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.321 48.327 12.087 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.387 47.600 13.274 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.399 46.554 11.334 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.690 45.047 10.743 1.00 0.00 H new ATOM 507 N ASP A 32 48.773 50.284 13.405 1.00 0.00 N ATOM 508 CA ASP A 32 48.397 51.461 12.646 1.00 0.00 C ATOM 509 C ASP A 32 48.687 52.764 13.392 1.00 0.00 C ATOM 510 O ASP A 32 49.225 53.693 12.791 1.00 0.00 O ATOM 511 CB ASP A 32 46.922 51.348 12.275 1.00 0.00 C ATOM 512 CG ASP A 32 46.459 52.489 11.365 1.00 0.00 C ATOM 513 OD1 ASP A 32 45.671 53.336 11.838 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.844 52.519 10.177 1.00 0.00 O ATOM 0 H ASP A 32 47.980 49.697 13.663 1.00 0.00 H new ATOM 0 HA ASP A 32 49.006 51.501 11.743 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.748 50.395 11.775 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.321 51.345 13.184 1.00 0.00 H new ATOM 519 N LYS A 33 48.373 52.844 14.682 1.00 0.00 N ATOM 520 CA LYS A 33 48.507 54.054 15.466 1.00 0.00 C ATOM 521 C LYS A 33 49.901 54.297 16.048 1.00 0.00 C ATOM 522 O LYS A 33 50.307 55.450 16.178 1.00 0.00 O ATOM 523 CB LYS A 33 47.412 54.100 16.529 1.00 0.00 C ATOM 524 CG LYS A 33 47.071 55.543 16.891 1.00 0.00 C ATOM 525 CD LYS A 33 45.983 55.665 17.954 1.00 0.00 C ATOM 526 CE LYS A 33 45.512 57.114 18.017 1.00 0.00 C ATOM 527 NZ LYS A 33 44.732 57.385 19.234 1.00 0.00 N ATOM 0 H LYS A 33 48.013 52.053 15.215 1.00 0.00 H new ATOM 0 HA LYS A 33 48.376 54.888 14.776 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.520 53.592 16.162 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.740 53.564 17.420 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.972 56.042 17.246 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.749 56.068 15.992 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.147 55.007 17.715 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.368 55.351 18.924 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.376 57.778 17.984 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.905 57.337 17.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.959 58.044 19.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.334 56.495 19.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.350 57.808 19.956 1.00 0.00 H new ATOM 541 N GLU A 34 50.646 53.252 16.396 1.00 0.00 N ATOM 542 CA GLU A 34 51.915 53.319 17.091 1.00 0.00 C ATOM 543 C GLU A 34 53.095 52.697 16.342 1.00 0.00 C ATOM 544 O GLU A 34 54.234 52.881 16.764 1.00 0.00 O ATOM 545 CB GLU A 34 51.776 52.690 18.474 1.00 0.00 C ATOM 546 CG GLU A 34 50.841 53.443 19.416 1.00 0.00 C ATOM 547 CD GLU A 34 51.339 54.839 19.792 1.00 0.00 C ATOM 548 OE1 GLU A 34 50.513 55.701 20.165 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.564 55.092 19.757 1.00 0.00 O ATOM 0 H GLU A 34 50.363 52.294 16.189 1.00 0.00 H new ATOM 0 HA GLU A 34 52.155 54.379 17.168 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.413 51.669 18.361 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.763 52.629 18.933 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.861 53.531 18.947 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.708 52.857 20.326 1.00 0.00 H new ATOM 556 N GLY A 35 52.858 51.960 15.261 1.00 0.00 N ATOM 557 CA GLY A 35 53.886 51.352 14.440 1.00 0.00 C ATOM 558 C GLY A 35 54.396 49.988 14.910 1.00 0.00 C ATOM 559 O GLY A 35 55.158 49.350 14.188 1.00 0.00 O ATOM 0 H GLY A 35 51.914 51.767 14.927 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.498 51.244 13.427 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.733 52.036 14.386 1.00 0.00 H new ATOM 563 N ILE A 36 53.978 49.520 16.083 1.00 0.00 N ATOM 564 CA ILE A 36 54.517 48.349 16.747 1.00 0.00 C ATOM 565 C ILE A 36 54.099 47.075 16.011 1.00 0.00 C ATOM 566 O ILE A 36 52.900 46.821 15.930 1.00 0.00 O ATOM 567 CB ILE A 36 54.095 48.306 18.214 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.441 49.586 18.968 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.753 47.118 18.911 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.756 49.717 20.326 1.00 0.00 C ATOM 0 H ILE A 36 53.228 49.965 16.611 1.00 0.00 H new ATOM 0 HA ILE A 36 55.605 48.412 16.722 1.00 0.00 H new ATOM 0 HB ILE A 36 53.010 48.203 18.225 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.521 49.629 19.113 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.168 50.443 18.352 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.447 47.095 19.957 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.446 46.193 18.422 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.837 47.216 18.852 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.056 50.654 20.796 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.675 49.709 20.190 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.048 48.882 20.963 1.00 0.00 H new ATOM 582 N PRO A 37 55.015 46.242 15.523 1.00 0.00 N ATOM 583 CA PRO A 37 54.678 44.986 14.882 1.00 0.00 C ATOM 584 C PRO A 37 53.906 44.045 15.809 1.00 0.00 C ATOM 585 O PRO A 37 54.341 43.856 16.943 1.00 0.00 O ATOM 586 CB PRO A 37 56.000 44.359 14.451 1.00 0.00 C ATOM 587 CG PRO A 37 56.945 45.552 14.333 1.00 0.00 C ATOM 588 CD PRO A 37 56.445 46.460 15.452 1.00 0.00 C ATOM 0 HA PRO A 37 54.018 45.163 14.033 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.358 43.636 15.184 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.902 43.830 13.503 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.987 45.264 14.475 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.878 46.032 13.357 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.926 46.216 16.399 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.672 47.505 15.240 1.00 0.00 H new ATOM 596 N PRO A 38 52.809 43.422 15.388 1.00 0.00 N ATOM 597 CA PRO A 38 52.029 42.527 16.220 1.00 0.00 C ATOM 598 C PRO A 38 52.804 41.374 16.860 1.00 0.00 C ATOM 599 O PRO A 38 52.463 40.967 17.969 1.00 0.00 O ATOM 600 CB PRO A 38 50.904 42.006 15.330 1.00 0.00 C ATOM 601 CG PRO A 38 50.650 43.189 14.400 1.00 0.00 C ATOM 602 CD PRO A 38 52.060 43.734 14.188 1.00 0.00 C ATOM 0 HA PRO A 38 51.669 43.086 17.084 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.201 41.113 14.780 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.017 41.745 15.907 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.187 42.879 13.463 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.990 43.929 14.852 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.524 43.279 13.313 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.037 44.810 14.014 1.00 0.00 H new ATOM 610 N ASP A 39 53.876 40.880 16.247 1.00 0.00 N ATOM 611 CA ASP A 39 54.706 39.842 16.826 1.00 0.00 C ATOM 612 C ASP A 39 55.499 40.299 18.053 1.00 0.00 C ATOM 613 O ASP A 39 55.847 39.485 18.906 1.00 0.00 O ATOM 614 CB ASP A 39 55.609 39.268 15.738 1.00 0.00 C ATOM 615 CG ASP A 39 56.253 37.948 16.167 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.487 37.804 16.025 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.519 37.027 16.586 1.00 0.00 O ATOM 0 H ASP A 39 54.190 41.194 15.329 1.00 0.00 H new ATOM 0 HA ASP A 39 54.048 39.060 17.206 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.027 39.110 14.830 1.00 0.00 H new ATOM 0 HB3 ASP A 39 56.389 39.990 15.495 1.00 0.00 H new ATOM 622 N GLN A 40 55.711 41.604 18.187 1.00 0.00 N ATOM 623 CA GLN A 40 56.282 42.271 19.340 1.00 0.00 C ATOM 624 C GLN A 40 55.239 42.684 20.381 1.00 0.00 C ATOM 625 O GLN A 40 55.629 43.192 21.429 1.00 0.00 O ATOM 626 CB GLN A 40 57.112 43.460 18.864 1.00 0.00 C ATOM 627 CG GLN A 40 58.598 43.157 18.694 1.00 0.00 C ATOM 628 CD GLN A 40 58.896 41.980 17.763 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.785 42.081 16.543 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.274 40.822 18.297 1.00 0.00 N ATOM 0 H GLN A 40 55.472 42.261 17.444 1.00 0.00 H new ATOM 0 HA GLN A 40 56.925 41.559 19.857 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.713 43.810 17.912 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.998 44.277 19.577 1.00 0.00 H new ATOM 0 HG2 GLN A 40 59.097 44.046 18.308 1.00 0.00 H new ATOM 0 HG3 GLN A 40 59.029 42.949 19.673 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.368 40.733 19.309 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.470 40.023 17.695 1.00 0.00 H new ATOM 639 N GLN A 41 53.949 42.465 20.140 1.00 0.00 N ATOM 640 CA GLN A 41 52.865 42.804 21.039 1.00 0.00 C ATOM 641 C GLN A 41 52.325 41.576 21.774 1.00 0.00 C ATOM 642 O GLN A 41 52.140 40.523 21.168 1.00 0.00 O ATOM 643 CB GLN A 41 51.707 43.450 20.285 1.00 0.00 C ATOM 644 CG GLN A 41 52.007 44.746 19.537 1.00 0.00 C ATOM 645 CD GLN A 41 50.745 45.278 18.854 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.645 45.208 19.399 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.812 45.812 17.638 1.00 0.00 N ATOM 0 H GLN A 41 53.624 42.029 19.277 1.00 0.00 H new ATOM 0 HA GLN A 41 53.280 43.504 21.764 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.323 42.725 19.567 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.906 43.647 20.998 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.393 45.492 20.232 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.784 44.571 18.793 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.711 45.883 17.161 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.965 46.150 17.182 1.00 0.00 H new ATOM 656 N ARG A 42 51.956 41.723 23.044 1.00 0.00 N ATOM 657 CA ARG A 42 51.086 40.824 23.776 1.00 0.00 C ATOM 658 C ARG A 42 50.075 41.640 24.584 1.00 0.00 C ATOM 659 O ARG A 42 50.464 42.610 25.232 1.00 0.00 O ATOM 660 CB ARG A 42 51.923 39.927 24.683 1.00 0.00 C ATOM 661 CG ARG A 42 52.918 39.008 23.979 1.00 0.00 C ATOM 662 CD ARG A 42 52.256 37.918 23.142 1.00 0.00 C ATOM 663 NE ARG A 42 53.245 36.996 22.583 1.00 0.00 N ATOM 664 CZ ARG A 42 54.048 37.212 21.532 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.990 38.321 20.782 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.962 36.289 21.202 1.00 0.00 N ATOM 0 H ARG A 42 52.273 42.509 23.611 1.00 0.00 H new ATOM 0 HA ARG A 42 50.537 40.188 23.082 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.473 40.560 25.380 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.247 39.312 25.277 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.562 39.608 23.336 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.560 38.541 24.726 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.548 37.364 23.758 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.685 38.375 22.334 1.00 0.00 H new ATOM 0 HE ARG A 42 53.333 36.090 23.043 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.311 39.050 21.001 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.625 38.436 19.992 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.042 35.432 21.749 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.578 36.444 20.404 1.00 0.00 H new ATOM 680 N LEU A 43 48.794 41.283 24.552 1.00 0.00 N ATOM 681 CA LEU A 43 47.722 42.061 25.140 1.00 0.00 C ATOM 682 C LEU A 43 47.108 41.393 26.372 1.00 0.00 C ATOM 683 O LEU A 43 46.995 40.169 26.417 1.00 0.00 O ATOM 684 CB LEU A 43 46.666 42.394 24.090 1.00 0.00 C ATOM 685 CG LEU A 43 47.154 43.177 22.876 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.980 43.466 21.944 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.807 44.507 23.241 1.00 0.00 C ATOM 0 H LEU A 43 48.471 40.425 24.105 1.00 0.00 H new ATOM 0 HA LEU A 43 48.159 42.994 25.497 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.222 41.462 23.742 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.872 42.965 24.571 1.00 0.00 H new ATOM 0 HG LEU A 43 47.906 42.554 22.392 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.332 44.026 21.078 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.538 42.526 21.614 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.230 44.053 22.475 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.132 45.014 22.333 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.087 45.133 23.768 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.669 44.325 23.883 1.00 0.00 H new ATOM 699 N ILE A 44 46.706 42.192 27.356 1.00 0.00 N ATOM 700 CA ILE A 44 46.080 41.769 28.593 1.00 0.00 C ATOM 701 C ILE A 44 44.822 42.593 28.879 1.00 0.00 C ATOM 702 O ILE A 44 44.836 43.813 28.737 1.00 0.00 O ATOM 703 CB ILE A 44 47.070 41.811 29.753 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.267 40.897 29.509 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.401 41.460 31.079 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.363 40.926 30.572 1.00 0.00 C ATOM 0 H ILE A 44 46.817 43.205 27.304 1.00 0.00 H new ATOM 0 HA ILE A 44 45.767 40.731 28.480 1.00 0.00 H new ATOM 0 HB ILE A 44 47.433 42.837 29.815 1.00 0.00 H new ATOM 0 HG12 ILE A 44 47.904 39.873 29.419 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.712 41.163 28.550 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.138 41.501 31.881 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.603 42.173 31.284 1.00 0.00 H new ATOM 0 HG23 ILE A 44 45.983 40.455 31.021 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.160 40.238 30.291 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.766 41.936 30.651 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.946 40.625 31.533 1.00 0.00 H new ATOM 718 N PHE A 45 43.760 41.939 29.340 1.00 0.00 N ATOM 719 CA PHE A 45 42.611 42.544 29.983 1.00 0.00 C ATOM 720 C PHE A 45 42.153 41.681 31.160 1.00 0.00 C ATOM 721 O PHE A 45 42.145 40.457 31.047 1.00 0.00 O ATOM 722 CB PHE A 45 41.472 42.730 28.985 1.00 0.00 C ATOM 723 CG PHE A 45 40.166 43.218 29.564 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.051 44.537 30.019 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.062 42.361 29.644 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.844 44.993 30.564 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.851 42.821 30.174 1.00 0.00 C ATOM 728 CZ PHE A 45 37.739 44.137 30.637 1.00 0.00 C ATOM 0 H PHE A 45 43.679 40.925 29.269 1.00 0.00 H new ATOM 0 HA PHE A 45 42.900 43.526 30.358 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.795 43.436 28.220 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.293 41.778 28.485 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.896 45.206 29.949 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.145 41.342 29.296 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.766 46.007 30.928 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.000 42.158 30.226 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.805 44.490 31.048 1.00 0.00 H new ATOM 738 N ALA A 46 41.792 42.290 32.286 1.00 0.00 N ATOM 739 CA ALA A 46 41.376 41.618 33.500 1.00 0.00 C ATOM 740 C ALA A 46 42.304 40.491 33.958 1.00 0.00 C ATOM 741 O ALA A 46 41.863 39.482 34.503 1.00 0.00 O ATOM 742 CB ALA A 46 39.907 41.227 33.371 1.00 0.00 C ATOM 0 H ALA A 46 41.783 43.306 32.375 1.00 0.00 H new ATOM 0 HA ALA A 46 41.468 42.321 34.328 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.584 40.720 34.280 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.304 42.123 33.221 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.782 40.559 32.519 1.00 0.00 H new ATOM 748 N GLY A 47 43.609 40.640 33.748 1.00 0.00 N ATOM 749 CA GLY A 47 44.631 39.657 34.041 1.00 0.00 C ATOM 750 C GLY A 47 44.758 38.491 33.057 1.00 0.00 C ATOM 751 O GLY A 47 45.627 37.645 33.250 1.00 0.00 O ATOM 0 H GLY A 47 43.995 41.495 33.348 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.592 40.168 34.090 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.437 39.248 35.032 1.00 0.00 H new ATOM 755 N LYS A 48 43.944 38.449 32.006 1.00 0.00 N ATOM 756 CA LYS A 48 43.913 37.423 30.984 1.00 0.00 C ATOM 757 C LYS A 48 44.792 37.821 29.796 1.00 0.00 C ATOM 758 O LYS A 48 44.597 38.896 29.234 1.00 0.00 O ATOM 759 CB LYS A 48 42.481 37.192 30.509 1.00 0.00 C ATOM 760 CG LYS A 48 41.494 36.895 31.636 1.00 0.00 C ATOM 761 CD LYS A 48 40.093 36.592 31.113 1.00 0.00 C ATOM 762 CE LYS A 48 39.149 36.391 32.295 1.00 0.00 C ATOM 763 NZ LYS A 48 37.809 35.976 31.850 1.00 0.00 N ATOM 0 H LYS A 48 43.249 39.177 31.841 1.00 0.00 H new ATOM 0 HA LYS A 48 44.300 36.500 31.415 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.142 38.074 29.966 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.472 36.361 29.804 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.854 36.046 32.217 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.450 37.749 32.312 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.741 37.411 30.486 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.110 35.698 30.490 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.560 35.637 32.966 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.074 37.318 32.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.192 35.848 32.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.408 36.707 31.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.879 35.079 31.328 1.00 0.00 H new ATOM 777 N GLN A 49 45.721 36.965 29.381 1.00 0.00 N ATOM 778 CA GLN A 49 46.495 37.143 28.169 1.00 0.00 C ATOM 779 C GLN A 49 45.626 36.822 26.952 1.00 0.00 C ATOM 780 O GLN A 49 45.187 35.687 26.773 1.00 0.00 O ATOM 781 CB GLN A 49 47.752 36.280 28.227 1.00 0.00 C ATOM 782 CG GLN A 49 48.688 36.462 27.035 1.00 0.00 C ATOM 783 CD GLN A 49 49.737 37.554 27.262 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.889 37.280 27.594 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.412 38.834 27.120 1.00 0.00 N ATOM 0 H GLN A 49 45.957 36.114 29.891 1.00 0.00 H new ATOM 0 HA GLN A 49 46.817 38.180 28.078 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.297 36.512 29.142 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.458 35.232 28.288 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.192 35.518 26.828 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.099 36.709 26.152 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.464 39.092 26.845 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.110 39.559 27.285 1.00 0.00 H new ATOM 794 N LEU A 50 45.360 37.829 26.125 1.00 0.00 N ATOM 795 CA LEU A 50 44.328 37.785 25.109 1.00 0.00 C ATOM 796 C LEU A 50 44.768 37.031 23.853 1.00 0.00 C ATOM 797 O LEU A 50 45.775 37.371 23.238 1.00 0.00 O ATOM 798 CB LEU A 50 43.837 39.196 24.797 1.00 0.00 C ATOM 799 CG LEU A 50 43.411 40.015 26.011 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.913 41.389 25.573 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.311 39.335 26.821 1.00 0.00 C ATOM 0 H LEU A 50 45.869 38.713 26.148 1.00 0.00 H new ATOM 0 HA LEU A 50 43.490 37.214 25.510 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.629 39.733 24.276 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.993 39.127 24.110 1.00 0.00 H new ATOM 0 HG LEU A 50 44.293 40.109 26.645 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.612 41.963 26.449 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.711 41.916 25.051 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.059 41.271 24.906 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.046 39.961 27.673 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.433 39.189 26.192 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.667 38.368 27.178 1.00 0.00 H new ATOM 813 N GLU A 51 43.991 36.024 23.466 1.00 0.00 N ATOM 814 CA GLU A 51 44.252 35.136 22.350 1.00 0.00 C ATOM 815 C GLU A 51 43.729 35.701 21.028 1.00 0.00 C ATOM 816 O GLU A 51 42.564 36.074 20.913 1.00 0.00 O ATOM 817 CB GLU A 51 43.665 33.756 22.629 1.00 0.00 C ATOM 818 CG GLU A 51 44.344 33.032 23.788 1.00 0.00 C ATOM 819 CD GLU A 51 43.843 31.596 23.962 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.617 31.356 23.896 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.670 30.683 24.171 1.00 0.00 O ATOM 0 H GLU A 51 43.121 35.798 23.949 1.00 0.00 H new ATOM 0 HA GLU A 51 45.333 35.044 22.244 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.602 33.859 22.847 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.748 33.145 21.730 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.421 33.019 23.622 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.170 33.587 24.710 1.00 0.00 H new ATOM 828 N ASP A 52 44.583 35.714 20.008 1.00 0.00 N ATOM 829 CA ASP A 52 44.370 36.378 18.737 1.00 0.00 C ATOM 830 C ASP A 52 43.113 35.953 17.975 1.00 0.00 C ATOM 831 O ASP A 52 42.545 36.759 17.242 1.00 0.00 O ATOM 832 CB ASP A 52 45.608 36.175 17.869 1.00 0.00 C ATOM 833 CG ASP A 52 46.821 36.935 18.410 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.071 38.077 17.970 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.571 36.393 19.250 1.00 0.00 O ATOM 0 H ASP A 52 45.484 35.237 20.053 1.00 0.00 H new ATOM 0 HA ASP A 52 44.204 37.430 18.967 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.842 35.112 17.815 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.396 36.507 16.853 1.00 0.00 H new ATOM 840 N GLY A 53 42.641 34.722 18.154 1.00 0.00 N ATOM 841 CA GLY A 53 41.482 34.184 17.472 1.00 0.00 C ATOM 842 C GLY A 53 40.115 34.581 18.033 1.00 0.00 C ATOM 843 O GLY A 53 39.105 34.168 17.468 1.00 0.00 O ATOM 0 H GLY A 53 43.071 34.058 18.797 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.526 34.495 16.428 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.553 33.096 17.484 1.00 0.00 H new ATOM 847 N ARG A 54 40.047 35.320 19.137 1.00 0.00 N ATOM 848 CA ARG A 54 38.825 35.629 19.851 1.00 0.00 C ATOM 849 C ARG A 54 38.346 37.066 19.634 1.00 0.00 C ATOM 850 O ARG A 54 39.112 37.923 19.198 1.00 0.00 O ATOM 851 CB ARG A 54 38.999 35.307 21.332 1.00 0.00 C ATOM 852 CG ARG A 54 39.340 33.843 21.591 1.00 0.00 C ATOM 853 CD ARG A 54 39.331 33.529 23.084 1.00 0.00 C ATOM 854 NE ARG A 54 39.394 32.089 23.339 1.00 0.00 N ATOM 855 CZ ARG A 54 38.443 31.306 23.865 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.222 31.735 24.217 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.692 30.005 24.062 1.00 0.00 N ATOM 0 H ARG A 54 40.874 35.732 19.569 1.00 0.00 H new ATOM 0 HA ARG A 54 38.036 34.999 19.440 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.788 35.936 21.744 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.081 35.559 21.863 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.622 33.204 21.078 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.322 33.617 21.175 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.178 34.020 23.563 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.428 33.939 23.536 1.00 0.00 H new ATOM 0 HE ARG A 54 40.267 31.626 23.086 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.969 32.715 24.089 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.546 31.081 24.613 1.00 0.00 H new ATOM 0 HH21 ARG A 54 39.601 29.616 23.812 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.972 29.403 24.462 1.00 0.00 H new ATOM 871 N THR A 55 37.085 37.331 19.963 1.00 0.00 N ATOM 872 CA THR A 55 36.462 38.638 19.900 1.00 0.00 C ATOM 873 C THR A 55 36.408 39.366 21.245 1.00 0.00 C ATOM 874 O THR A 55 36.496 38.760 22.310 1.00 0.00 O ATOM 875 CB THR A 55 35.067 38.607 19.283 1.00 0.00 C ATOM 876 OG1 THR A 55 34.220 37.677 19.920 1.00 0.00 O ATOM 877 CG2 THR A 55 35.106 38.233 17.804 1.00 0.00 C ATOM 0 H THR A 55 36.448 36.607 20.294 1.00 0.00 H new ATOM 0 HA THR A 55 37.122 39.205 19.243 1.00 0.00 H new ATOM 0 HB THR A 55 34.679 39.618 19.412 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.338 37.692 19.494 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.092 38.223 17.404 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.703 38.964 17.259 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.551 37.244 17.690 1.00 0.00 H new ATOM 885 N LEU A 56 36.234 40.685 21.195 1.00 0.00 N ATOM 886 CA LEU A 56 36.104 41.538 22.358 1.00 0.00 C ATOM 887 C LEU A 56 34.897 41.184 23.228 1.00 0.00 C ATOM 888 O LEU A 56 35.024 41.148 24.449 1.00 0.00 O ATOM 889 CB LEU A 56 36.063 42.997 21.909 1.00 0.00 C ATOM 890 CG LEU A 56 37.419 43.698 21.924 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.460 43.076 20.997 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.249 45.166 21.544 1.00 0.00 C ATOM 0 H LEU A 56 36.179 41.198 20.315 1.00 0.00 H new ATOM 0 HA LEU A 56 36.976 41.376 22.992 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.655 43.043 20.899 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.377 43.545 22.555 1.00 0.00 H new ATOM 0 HG LEU A 56 37.792 43.586 22.942 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.393 43.635 21.070 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.634 42.040 21.289 1.00 0.00 H new ATOM 0 HD13 LEU A 56 38.097 43.107 19.970 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.221 45.660 21.557 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.820 45.236 20.545 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.585 45.652 22.259 1.00 0.00 H new ATOM 904 N SER A 57 33.755 40.869 22.623 1.00 0.00 N ATOM 905 CA SER A 57 32.557 40.446 23.321 1.00 0.00 C ATOM 906 C SER A 57 32.749 39.129 24.074 1.00 0.00 C ATOM 907 O SER A 57 32.384 39.056 25.246 1.00 0.00 O ATOM 908 CB SER A 57 31.369 40.355 22.368 1.00 0.00 C ATOM 909 OG SER A 57 31.586 39.411 21.344 1.00 0.00 O ATOM 0 H SER A 57 33.640 40.903 21.610 1.00 0.00 H new ATOM 0 HA SER A 57 32.346 41.211 24.068 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.474 40.083 22.928 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.183 41.334 21.926 1.00 0.00 H new ATOM 0 HG SER A 57 30.803 39.381 20.756 1.00 0.00 H new ATOM 915 N ASP A 58 33.393 38.132 23.472 1.00 0.00 N ATOM 916 CA ASP A 58 33.761 36.896 24.133 1.00 0.00 C ATOM 917 C ASP A 58 34.664 37.147 25.341 1.00 0.00 C ATOM 918 O ASP A 58 34.479 36.521 26.383 1.00 0.00 O ATOM 919 CB ASP A 58 34.428 35.949 23.138 1.00 0.00 C ATOM 920 CG ASP A 58 34.817 34.615 23.778 1.00 0.00 C ATOM 921 OD1 ASP A 58 36.017 34.265 23.767 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.924 33.888 24.264 1.00 0.00 O ATOM 0 H ASP A 58 33.676 38.168 22.493 1.00 0.00 H new ATOM 0 HA ASP A 58 32.850 36.429 24.507 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.750 35.766 22.304 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.318 36.425 22.727 1.00 0.00 H new ATOM 927 N TYR A 59 35.577 38.112 25.256 1.00 0.00 N ATOM 928 CA TYR A 59 36.427 38.545 26.345 1.00 0.00 C ATOM 929 C TYR A 59 35.794 39.512 27.347 1.00 0.00 C ATOM 930 O TYR A 59 36.485 39.916 28.280 1.00 0.00 O ATOM 931 CB TYR A 59 37.742 39.081 25.787 1.00 0.00 C ATOM 932 CG TYR A 59 38.840 38.049 25.676 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.306 37.418 26.836 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.414 37.758 24.433 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.326 36.463 26.761 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.465 36.836 24.350 1.00 0.00 C ATOM 937 CZ TYR A 59 40.907 36.171 25.511 1.00 0.00 C ATOM 938 OH TYR A 59 41.910 35.251 25.422 1.00 0.00 O ATOM 0 H TYR A 59 35.745 38.628 24.392 1.00 0.00 H new ATOM 0 HA TYR A 59 36.608 37.655 26.947 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.558 39.505 24.800 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.088 39.895 26.424 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.876 37.670 27.794 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.047 38.243 23.540 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.664 35.955 27.652 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.935 36.635 23.399 1.00 0.00 H new ATOM 0 HH TYR A 59 41.526 34.363 25.267 1.00 0.00 H new ATOM 948 N ASN A 60 34.515 39.861 27.243 1.00 0.00 N ATOM 949 CA ASN A 60 33.836 40.795 28.119 1.00 0.00 C ATOM 950 C ASN A 60 34.418 42.210 28.113 1.00 0.00 C ATOM 951 O ASN A 60 34.315 42.950 29.089 1.00 0.00 O ATOM 952 CB ASN A 60 33.667 40.166 29.499 1.00 0.00 C ATOM 953 CG ASN A 60 32.666 40.900 30.394 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.614 41.360 29.954 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.954 40.994 31.689 1.00 0.00 N ATOM 0 H ASN A 60 33.905 39.484 26.517 1.00 0.00 H new ATOM 0 HA ASN A 60 32.838 40.973 27.719 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.343 39.132 29.380 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.636 40.141 29.998 1.00 0.00 H new ATOM 0 HD21 ASN A 60 32.300 41.450 32.325 1.00 0.00 H new ATOM 0 HD22 ASN A 60 33.829 40.610 32.046 1.00 0.00 H new ATOM 962 N ILE A 61 35.020 42.626 27.002 1.00 0.00 N ATOM 963 CA ILE A 61 35.538 43.964 26.800 1.00 0.00 C ATOM 964 C ILE A 61 34.395 44.889 26.380 1.00 0.00 C ATOM 965 O ILE A 61 33.545 44.523 25.572 1.00 0.00 O ATOM 966 CB ILE A 61 36.711 43.942 25.825 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.886 43.182 26.435 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.158 45.351 25.448 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.967 42.750 25.446 1.00 0.00 C ATOM 0 H ILE A 61 35.162 42.017 26.196 1.00 0.00 H new ATOM 0 HA ILE A 61 35.942 44.364 27.730 1.00 0.00 H new ATOM 0 HB ILE A 61 36.375 43.438 24.919 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.345 43.809 27.199 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.502 42.295 26.939 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.995 45.293 24.752 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.331 45.881 24.977 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.468 45.887 26.345 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.756 42.219 25.978 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.530 42.093 24.694 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.387 43.630 24.959 1.00 0.00 H new ATOM 981 N GLN A 62 34.375 46.095 26.943 1.00 0.00 N ATOM 982 CA GLN A 62 33.324 47.083 26.803 1.00 0.00 C ATOM 983 C GLN A 62 33.876 48.487 26.544 1.00 0.00 C ATOM 984 O GLN A 62 35.076 48.724 26.666 1.00 0.00 O ATOM 985 CB GLN A 62 32.472 47.084 28.068 1.00 0.00 C ATOM 986 CG GLN A 62 31.676 45.797 28.270 1.00 0.00 C ATOM 987 CD GLN A 62 30.624 45.963 29.368 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.435 46.136 29.109 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.016 45.945 30.639 1.00 0.00 N ATOM 0 H GLN A 62 35.135 46.420 27.540 1.00 0.00 H new ATOM 0 HA GLN A 62 32.720 46.813 25.937 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.119 47.241 28.931 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.781 47.926 28.030 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.189 45.517 27.336 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.354 44.985 28.532 1.00 0.00 H new ATOM 0 HE21 GLN A 62 32.000 45.802 30.867 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.333 46.074 31.385 1.00 0.00 H new ATOM 998 N LYS A 63 32.996 49.441 26.252 1.00 0.00 N ATOM 999 CA LYS A 63 33.313 50.854 26.209 1.00 0.00 C ATOM 1000 C LYS A 63 33.996 51.325 27.495 1.00 0.00 C ATOM 1001 O LYS A 63 33.580 50.955 28.590 1.00 0.00 O ATOM 1002 CB LYS A 63 32.069 51.662 25.853 1.00 0.00 C ATOM 1003 CG LYS A 63 30.917 51.617 26.853 1.00 0.00 C ATOM 1004 CD LYS A 63 29.665 52.347 26.375 1.00 0.00 C ATOM 1005 CE LYS A 63 29.062 51.762 25.101 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.679 52.219 24.891 1.00 0.00 N ATOM 0 H LYS A 63 32.020 49.241 26.034 1.00 0.00 H new ATOM 0 HA LYS A 63 34.043 51.025 25.418 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.365 52.703 25.720 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.698 51.311 24.890 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.665 50.576 27.058 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.247 52.056 27.794 1.00 0.00 H new ATOM 0 HD2 LYS A 63 28.916 52.321 27.166 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.910 53.395 26.202 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.673 52.048 24.245 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.081 50.674 25.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.304 51.800 24.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.090 51.924 25.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.664 53.256 24.813 1.00 0.00 H new ATOM 1020 N GLU A 64 35.051 52.123 27.355 1.00 0.00 N ATOM 1021 CA GLU A 64 35.874 52.637 28.431 1.00 0.00 C ATOM 1022 C GLU A 64 36.625 51.573 29.233 1.00 0.00 C ATOM 1023 O GLU A 64 36.898 51.741 30.419 1.00 0.00 O ATOM 1024 CB GLU A 64 35.117 53.637 29.302 1.00 0.00 C ATOM 1025 CG GLU A 64 34.134 54.572 28.603 1.00 0.00 C ATOM 1026 CD GLU A 64 34.743 55.429 27.492 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.873 55.941 27.641 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.042 55.670 26.485 1.00 0.00 O ATOM 0 H GLU A 64 35.366 52.441 26.439 1.00 0.00 H new ATOM 0 HA GLU A 64 36.674 53.190 27.939 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.569 53.077 30.060 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.850 54.250 29.827 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.325 53.976 28.181 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.689 55.231 29.348 1.00 0.00 H new ATOM 1035 N SER A 65 36.993 50.455 28.614 1.00 0.00 N ATOM 1036 CA SER A 65 37.916 49.490 29.176 1.00 0.00 C ATOM 1037 C SER A 65 39.375 49.910 28.990 1.00 0.00 C ATOM 1038 O SER A 65 39.699 50.511 27.968 1.00 0.00 O ATOM 1039 CB SER A 65 37.761 48.116 28.532 1.00 0.00 C ATOM 1040 OG SER A 65 36.432 47.655 28.630 1.00 0.00 O ATOM 0 H SER A 65 36.648 50.195 27.690 1.00 0.00 H new ATOM 0 HA SER A 65 37.671 49.445 30.237 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.055 48.167 27.484 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.432 47.406 29.016 1.00 0.00 H new ATOM 0 HG SER A 65 35.835 48.275 28.162 1.00 0.00 H new ATOM 1046 N THR A 66 40.268 49.515 29.895 1.00 0.00 N ATOM 1047 CA THR A 66 41.702 49.639 29.729 1.00 0.00 C ATOM 1048 C THR A 66 42.342 48.269 29.500 1.00 0.00 C ATOM 1049 O THR A 66 42.292 47.390 30.358 1.00 0.00 O ATOM 1050 CB THR A 66 42.355 50.359 30.905 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.873 51.680 31.013 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.868 50.494 30.757 1.00 0.00 C ATOM 0 H THR A 66 40.001 49.090 30.783 1.00 0.00 H new ATOM 0 HA THR A 66 41.874 50.252 28.844 1.00 0.00 H new ATOM 0 HB THR A 66 42.111 49.750 31.776 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.303 52.124 31.774 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.273 51.014 31.625 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.316 49.503 30.686 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.096 51.061 29.854 1.00 0.00 H new ATOM 1060 N LEU A 67 42.983 48.111 28.346 1.00 0.00 N ATOM 1061 CA LEU A 67 43.905 47.036 28.039 1.00 0.00 C ATOM 1062 C LEU A 67 45.317 47.393 28.505 1.00 0.00 C ATOM 1063 O LEU A 67 45.676 48.565 28.594 1.00 0.00 O ATOM 1064 CB LEU A 67 43.928 46.744 26.541 1.00 0.00 C ATOM 1065 CG LEU A 67 42.592 46.579 25.823 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.853 46.183 24.373 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.701 45.504 26.438 1.00 0.00 C ATOM 0 H LEU A 67 42.865 48.761 27.569 1.00 0.00 H new ATOM 0 HA LEU A 67 43.562 46.146 28.567 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.473 47.552 26.052 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.505 45.832 26.387 1.00 0.00 H new ATOM 0 HG LEU A 67 42.075 47.535 25.909 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.903 46.063 23.852 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.440 46.960 23.883 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.403 45.242 24.346 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.768 45.441 25.878 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.213 44.542 26.401 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.485 45.760 27.475 1.00 0.00 H new ATOM 1079 N HIS A 68 46.160 46.384 28.709 1.00 0.00 N ATOM 1080 CA HIS A 68 47.584 46.551 28.917 1.00 0.00 C ATOM 1081 C HIS A 68 48.357 45.850 27.799 1.00 0.00 C ATOM 1082 O HIS A 68 48.073 44.704 27.457 1.00 0.00 O ATOM 1083 CB HIS A 68 47.976 46.063 30.310 1.00 0.00 C ATOM 1084 CG HIS A 68 47.276 46.786 31.429 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.837 47.781 32.226 1.00 0.00 N ATOM 1086 CD2 HIS A 68 45.990 46.558 31.846 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.893 48.125 33.105 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.770 47.416 32.905 1.00 0.00 N ATOM 0 H HIS A 68 45.860 45.410 28.734 1.00 0.00 H new ATOM 0 HA HIS A 68 47.845 47.608 28.873 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.757 44.998 30.386 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.053 46.177 30.434 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.290 45.849 31.430 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.016 48.873 33.874 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.906 47.497 33.441 1.00 0.00 H new ATOM 1096 N LEU A 69 49.332 46.549 27.221 1.00 0.00 N ATOM 1097 CA LEU A 69 50.248 46.054 26.213 1.00 0.00 C ATOM 1098 C LEU A 69 51.588 45.724 26.872 1.00 0.00 C ATOM 1099 O LEU A 69 52.192 46.583 27.511 1.00 0.00 O ATOM 1100 CB LEU A 69 50.371 47.106 25.115 1.00 0.00 C ATOM 1101 CG LEU A 69 51.506 46.917 24.115 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.387 45.641 23.287 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.539 48.090 23.139 1.00 0.00 C ATOM 0 H LEU A 69 49.508 47.525 27.460 1.00 0.00 H new ATOM 0 HA LEU A 69 49.882 45.135 25.755 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.431 47.134 24.563 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.492 48.080 25.588 1.00 0.00 H new ATOM 0 HG LEU A 69 52.415 46.853 24.712 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.229 45.574 22.598 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.391 44.776 23.950 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.456 45.660 22.721 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.352 47.948 22.427 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.592 48.143 22.602 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.696 49.017 23.690 1.00 0.00 H new ATOM 1115 N VAL A 70 52.089 44.511 26.652 1.00 0.00 N ATOM 1116 CA VAL A 70 53.425 44.075 27.006 1.00 0.00 C ATOM 1117 C VAL A 70 54.222 43.887 25.713 1.00 0.00 C ATOM 1118 O VAL A 70 53.727 43.282 24.764 1.00 0.00 O ATOM 1119 CB VAL A 70 53.391 42.795 27.836 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.775 42.467 28.389 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.434 42.894 29.021 1.00 0.00 C ATOM 0 H VAL A 70 51.544 43.776 26.201 1.00 0.00 H new ATOM 0 HA VAL A 70 53.908 44.829 27.628 1.00 0.00 H new ATOM 0 HB VAL A 70 53.047 42.012 27.160 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.724 41.551 28.977 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.474 42.330 27.564 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.117 43.286 29.022 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.447 41.958 29.579 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.746 43.709 29.674 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.424 43.086 28.658 1.00 0.00 H new ATOM 1131 N LEU A 71 55.440 44.417 25.669 1.00 0.00 N ATOM 1132 CA LEU A 71 56.348 44.217 24.557 1.00 0.00 C ATOM 1133 C LEU A 71 57.090 42.883 24.653 1.00 0.00 C ATOM 1134 O LEU A 71 57.404 42.409 25.742 1.00 0.00 O ATOM 1135 CB LEU A 71 57.343 45.368 24.435 1.00 0.00 C ATOM 1136 CG LEU A 71 56.750 46.740 24.131 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.899 47.735 23.992 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.930 46.778 22.843 1.00 0.00 C ATOM 0 H LEU A 71 55.823 45.001 26.412 1.00 0.00 H new ATOM 0 HA LEU A 71 55.735 44.193 23.656 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.904 45.436 25.367 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.058 45.122 23.650 1.00 0.00 H new ATOM 0 HG LEU A 71 56.076 46.988 24.951 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.499 48.725 23.774 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.465 47.769 24.923 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.555 47.422 23.180 1.00 0.00 H new ATOM 0 HD21 LEU A 71 55.539 47.784 22.690 1.00 0.00 H new ATOM 0 HD22 LEU A 71 56.564 46.503 22.000 1.00 0.00 H new ATOM 0 HD23 LEU A 71 55.101 46.074 22.919 1.00 0.00 H new ATOM 1150 N ARG A 72 57.426 42.318 23.496 1.00 0.00 N ATOM 1151 CA ARG A 72 58.254 41.138 23.354 1.00 0.00 C ATOM 1152 C ARG A 72 59.342 41.375 22.305 1.00 0.00 C ATOM 1153 O ARG A 72 59.264 40.886 21.180 1.00 0.00 O ATOM 1154 CB ARG A 72 57.366 39.924 23.099 1.00 0.00 C ATOM 1155 CG ARG A 72 57.841 38.651 23.791 1.00 0.00 C ATOM 1156 CD ARG A 72 59.302 38.272 23.564 1.00 0.00 C ATOM 1157 NE ARG A 72 59.606 37.980 22.163 1.00 0.00 N ATOM 1158 CZ ARG A 72 60.752 37.457 21.706 1.00 0.00 C ATOM 1159 NH1 ARG A 72 61.810 37.252 22.503 1.00 0.00 N ATOM 1160 NH2 ARG A 72 60.826 37.107 20.415 1.00 0.00 N ATOM 0 H ARG A 72 57.113 42.690 22.599 1.00 0.00 H new ATOM 0 HA ARG A 72 58.795 40.926 24.276 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.354 40.151 23.433 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.314 39.744 22.025 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.677 38.761 24.863 1.00 0.00 H new ATOM 0 HG3 ARG A 72 57.215 37.824 23.456 1.00 0.00 H new ATOM 0 HD2 ARG A 72 59.940 39.087 23.906 1.00 0.00 H new ATOM 0 HD3 ARG A 72 59.544 37.400 24.172 1.00 0.00 H new ATOM 0 HE ARG A 72 58.884 38.193 21.475 1.00 0.00 H new ATOM 0 HH11 ARG A 72 61.758 37.496 23.492 1.00 0.00 H new ATOM 0 HH12 ARG A 72 62.667 36.852 22.121 1.00 0.00 H new ATOM 0 HH21 ARG A 72 60.021 37.241 19.803 1.00 0.00 H new ATOM 0 HH22 ARG A 72 61.688 36.707 20.044 1.00 0.00 H new ATOM 1174 N LEU A 73 60.320 42.211 22.644 1.00 0.00 N ATOM 1175 CA LEU A 73 61.392 42.620 21.759 1.00 0.00 C ATOM 1176 C LEU A 73 62.359 41.472 21.460 1.00 0.00 C ATOM 1177 O LEU A 73 62.658 40.656 22.329 1.00 0.00 O ATOM 1178 CB LEU A 73 62.121 43.831 22.332 1.00 0.00 C ATOM 1179 CG LEU A 73 61.271 45.077 22.571 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.145 46.194 23.136 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.616 45.598 21.296 1.00 0.00 C ATOM 0 H LEU A 73 60.385 42.632 23.571 1.00 0.00 H new ATOM 0 HA LEU A 73 60.947 42.907 20.806 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.577 43.540 23.278 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.933 44.095 21.654 1.00 0.00 H new ATOM 0 HG LEU A 73 60.486 44.788 23.270 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.536 47.082 23.306 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.585 45.870 24.079 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.939 46.429 22.427 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.025 46.484 21.527 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.387 45.855 20.570 1.00 0.00 H new ATOM 0 HD23 LEU A 73 59.967 44.827 20.879 1.00 0.00 H new ATOM 1193 N ARG A 74 62.857 41.418 20.228 1.00 0.00 N ATOM 1194 CA ARG A 74 63.551 40.279 19.663 1.00 0.00 C ATOM 1195 C ARG A 74 64.966 40.040 20.195 1.00 0.00 C ATOM 1196 O ARG A 74 65.393 38.888 20.236 1.00 0.00 O ATOM 1197 CB ARG A 74 63.552 40.445 18.147 1.00 0.00 C ATOM 1198 CG ARG A 74 64.344 39.409 17.352 1.00 0.00 C ATOM 1199 CD ARG A 74 63.817 37.989 17.532 1.00 0.00 C ATOM 1200 NE ARG A 74 64.680 37.015 16.863 1.00 0.00 N ATOM 1201 CZ ARG A 74 65.725 36.376 17.406 1.00 0.00 C ATOM 1202 NH1 ARG A 74 66.165 36.638 18.644 1.00 0.00 N ATOM 1203 NH2 ARG A 74 66.375 35.442 16.699 1.00 0.00 N ATOM 0 H ARG A 74 62.782 42.199 19.576 1.00 0.00 H new ATOM 0 HA ARG A 74 63.011 39.384 19.973 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.519 40.425 17.800 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.948 41.433 17.912 1.00 0.00 H new ATOM 0 HG2 ARG A 74 64.314 39.670 16.294 1.00 0.00 H new ATOM 0 HG3 ARG A 74 65.389 39.444 17.660 1.00 0.00 H new ATOM 0 HD2 ARG A 74 63.754 37.754 18.594 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.806 37.920 17.130 1.00 0.00 H new ATOM 0 HE ARG A 74 64.465 36.802 15.889 1.00 0.00 H new ATOM 0 HH11 ARG A 74 65.700 37.347 19.211 1.00 0.00 H new ATOM 0 HH12 ARG A 74 66.965 36.128 19.020 1.00 0.00 H new ATOM 0 HH21 ARG A 74 66.074 35.219 15.750 1.00 0.00 H new ATOM 0 HH22 ARG A 74 67.171 34.954 17.109 1.00 0.00 H new ATOM 1217 N GLY A 75 65.712 41.093 20.521 1.00 0.00 N ATOM 1218 CA GLY A 75 67.118 40.994 20.858 1.00 0.00 C ATOM 1219 C GLY A 75 67.393 40.268 22.177 1.00 0.00 C ATOM 1220 O GLY A 75 66.782 40.588 23.193 1.00 0.00 O ATOM 0 H GLY A 75 65.348 42.045 20.557 1.00 0.00 H new ATOM 0 HA2 GLY A 75 67.638 40.474 20.054 1.00 0.00 H new ATOM 0 HA3 GLY A 75 67.539 41.998 20.913 1.00 0.00 H new ATOM 1224 N GLY A 76 68.331 39.325 22.175 1.00 0.00 N ATOM 1225 CA GLY A 76 68.755 38.590 23.350 1.00 0.00 C ATOM 1226 C GLY A 76 69.651 37.392 23.031 1.00 0.00 C ATOM 1227 O GLY A 76 70.887 37.523 23.168 1.00 0.00 O ATOM 1228 OXT GLY A 76 69.108 36.328 22.663 1.00 0.00 O ATOM 0 H GLY A 76 68.828 39.047 21.329 1.00 0.00 H new ATOM 0 HA2 GLY A 76 69.290 39.266 24.018 1.00 0.00 H new ATOM 0 HA3 GLY A 76 67.874 38.241 23.888 1.00 0.00 H new TER 1232 GLY A 76