USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 SER OG : rot 180:sc= 0.93 USER MOD Set 1.2: A 55 THR OG1 : rot -70:sc= 1.22 USER MOD Set 1.3: A 57 SER OG : rot -145:sc= 0.769 USER MOD Set 2.1: A 7 THR OG1 : rot 143:sc= 1.25 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.993 USER MOD Single : A 1 MET CE :methyl -172:sc=-0.00529 (180deg=-0.0633) USER MOD Single : A 1 MET N :NH3+ -163:sc= 2.52 (180deg=2.33) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 0.928 (180deg=0.575) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0215 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0874 USER MOD Single : A 25 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.22) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.35 (180deg=1.01) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 1.05 (180deg=1.01) USER MOD Single : A 31 GLN : amide:sc= -1.02 X(o=-1,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 X(o=0,f=-0.37) USER MOD Single : A 41 GLN : amide:sc= 0.955 K(o=0.96,f=-2.3) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0293) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 59 TYR OH : rot 6:sc= 1.01 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 80:sc= 1.27 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 33.272 51.806 19.763 1.00 0.00 N ATOM 2 CA MET A 1 33.295 51.574 21.216 1.00 0.00 C ATOM 3 C MET A 1 34.688 51.909 21.753 1.00 0.00 C ATOM 4 O MET A 1 35.686 51.494 21.168 1.00 0.00 O ATOM 5 CB MET A 1 32.833 50.156 21.541 1.00 0.00 C ATOM 6 CG MET A 1 32.863 49.803 23.025 1.00 0.00 C ATOM 7 SD MET A 1 34.455 49.244 23.680 1.00 0.00 S ATOM 8 CE MET A 1 34.566 47.593 22.949 1.00 0.00 C ATOM 0 H1 MET A 1 32.286 51.864 19.436 1.00 0.00 H new ATOM 0 H2 MET A 1 33.761 52.698 19.546 1.00 0.00 H new ATOM 0 H3 MET A 1 33.752 51.021 19.278 1.00 0.00 H new ATOM 0 HA MET A 1 32.589 52.233 21.721 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.816 50.025 21.170 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.463 49.450 21.000 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.547 50.679 23.592 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.124 49.022 23.207 1.00 0.00 H new ATOM 0 HE1 MET A 1 35.421 47.065 23.371 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.654 47.037 23.166 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.690 47.681 21.870 1.00 0.00 H new ATOM 20 N GLN A 2 34.779 52.701 22.818 1.00 0.00 N ATOM 21 CA GLN A 2 35.995 53.359 23.247 1.00 0.00 C ATOM 22 C GLN A 2 36.798 52.524 24.247 1.00 0.00 C ATOM 23 O GLN A 2 36.267 52.139 25.287 1.00 0.00 O ATOM 24 CB GLN A 2 35.625 54.721 23.826 1.00 0.00 C ATOM 25 CG GLN A 2 36.852 55.540 24.213 1.00 0.00 C ATOM 26 CD GLN A 2 36.540 56.946 24.733 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.406 57.417 24.758 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.562 57.687 25.152 1.00 0.00 N ATOM 0 H GLN A 2 33.981 52.904 23.420 1.00 0.00 H new ATOM 0 HA GLN A 2 36.649 53.485 22.384 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.037 55.276 23.095 1.00 0.00 H new ATOM 0 HB3 GLN A 2 34.994 54.581 24.703 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.408 54.998 24.979 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.505 55.624 23.345 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.508 57.306 25.136 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.399 58.636 25.489 1.00 0.00 H new ATOM 37 N ILE A 3 38.092 52.341 23.999 1.00 0.00 N ATOM 38 CA ILE A 3 39.029 51.721 24.913 1.00 0.00 C ATOM 39 C ILE A 3 40.283 52.579 25.091 1.00 0.00 C ATOM 40 O ILE A 3 40.505 53.538 24.355 1.00 0.00 O ATOM 41 CB ILE A 3 39.375 50.296 24.491 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.114 50.241 23.158 1.00 0.00 C ATOM 43 CG2 ILE A 3 38.132 49.409 24.488 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.719 48.878 22.833 1.00 0.00 C ATOM 0 H ILE A 3 38.526 52.633 23.123 1.00 0.00 H new ATOM 0 HA ILE A 3 38.539 51.653 25.884 1.00 0.00 H new ATOM 0 HB ILE A 3 40.066 49.902 25.236 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.424 50.519 22.361 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.909 50.986 23.165 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.406 48.399 24.184 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.702 49.382 25.489 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.399 49.812 23.789 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.226 48.925 21.869 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.436 48.604 23.607 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.928 48.130 22.790 1.00 0.00 H new ATOM 56 N PHE A 4 41.142 52.214 26.039 1.00 0.00 N ATOM 57 CA PHE A 4 42.502 52.707 26.131 1.00 0.00 C ATOM 58 C PHE A 4 43.495 51.544 26.096 1.00 0.00 C ATOM 59 O PHE A 4 43.165 50.432 26.504 1.00 0.00 O ATOM 60 CB PHE A 4 42.690 53.535 27.399 1.00 0.00 C ATOM 61 CG PHE A 4 41.860 54.794 27.489 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.613 54.770 28.124 1.00 0.00 C ATOM 63 CD2 PHE A 4 42.354 55.999 26.975 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.864 55.946 28.259 1.00 0.00 C ATOM 65 CE2 PHE A 4 41.609 57.177 27.115 1.00 0.00 C ATOM 66 CZ PHE A 4 40.368 57.153 27.762 1.00 0.00 C ATOM 0 H PHE A 4 40.901 51.553 26.778 1.00 0.00 H new ATOM 0 HA PHE A 4 42.693 53.350 25.272 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.458 52.907 28.259 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.742 53.809 27.479 1.00 0.00 H new ATOM 0 HD1 PHE A 4 40.226 53.839 28.512 1.00 0.00 H new ATOM 0 HD2 PHE A 4 43.309 56.020 26.471 1.00 0.00 H new ATOM 0 HE1 PHE A 4 38.900 55.921 28.745 1.00 0.00 H new ATOM 0 HE2 PHE A 4 41.993 58.107 26.722 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.800 58.065 27.877 1.00 0.00 H new ATOM 76 N VAL A 5 44.717 51.794 25.633 1.00 0.00 N ATOM 77 CA VAL A 5 45.804 50.835 25.648 1.00 0.00 C ATOM 78 C VAL A 5 47.023 51.443 26.346 1.00 0.00 C ATOM 79 O VAL A 5 47.431 52.554 26.014 1.00 0.00 O ATOM 80 CB VAL A 5 46.119 50.323 24.246 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.282 49.337 24.250 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.922 49.593 23.642 1.00 0.00 C ATOM 0 H VAL A 5 44.979 52.693 25.228 1.00 0.00 H new ATOM 0 HA VAL A 5 45.498 49.960 26.221 1.00 0.00 H new ATOM 0 HB VAL A 5 46.374 51.205 23.658 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.474 48.997 23.232 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.173 49.827 24.643 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.032 48.482 24.878 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.177 49.240 22.643 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.659 48.743 24.271 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.074 50.275 23.580 1.00 0.00 H new ATOM 92 N LYS A 6 47.591 50.735 27.318 1.00 0.00 N ATOM 93 CA LYS A 6 48.593 51.236 28.238 1.00 0.00 C ATOM 94 C LYS A 6 49.830 50.343 28.352 1.00 0.00 C ATOM 95 O LYS A 6 49.709 49.120 28.381 1.00 0.00 O ATOM 96 CB LYS A 6 47.929 51.471 29.590 1.00 0.00 C ATOM 97 CG LYS A 6 48.802 52.292 30.535 1.00 0.00 C ATOM 98 CD LYS A 6 48.008 52.730 31.762 1.00 0.00 C ATOM 99 CE LYS A 6 48.795 53.791 32.527 1.00 0.00 C ATOM 100 NZ LYS A 6 48.012 54.325 33.652 1.00 0.00 N ATOM 0 H LYS A 6 47.352 49.758 27.488 1.00 0.00 H new ATOM 0 HA LYS A 6 48.979 52.175 27.842 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.979 51.984 29.440 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.703 50.510 30.052 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.664 51.702 30.846 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.187 53.168 30.013 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.040 53.129 31.458 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.812 51.873 32.406 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.725 53.360 32.899 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.067 54.603 31.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.571 55.044 34.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.137 54.756 33.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.774 53.553 34.307 1.00 0.00 H new ATOM 114 N THR A 7 51.013 50.943 28.439 1.00 0.00 N ATOM 115 CA THR A 7 52.294 50.276 28.566 1.00 0.00 C ATOM 116 C THR A 7 52.897 50.406 29.967 1.00 0.00 C ATOM 117 O THR A 7 52.532 51.301 30.724 1.00 0.00 O ATOM 118 CB THR A 7 53.287 50.851 27.562 1.00 0.00 C ATOM 119 OG1 THR A 7 53.381 52.246 27.749 1.00 0.00 O ATOM 120 CG2 THR A 7 52.883 50.578 26.117 1.00 0.00 C ATOM 0 H THR A 7 51.103 51.959 28.421 1.00 0.00 H new ATOM 0 HA THR A 7 52.109 49.219 28.372 1.00 0.00 H new ATOM 0 HB THR A 7 54.245 50.363 27.738 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.309 52.532 27.617 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.624 51.009 25.444 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.826 49.502 25.952 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.910 51.028 25.920 1.00 0.00 H new ATOM 128 N LEU A 8 53.877 49.575 30.314 1.00 0.00 N ATOM 129 CA LEU A 8 54.672 49.742 31.512 1.00 0.00 C ATOM 130 C LEU A 8 55.497 51.031 31.488 1.00 0.00 C ATOM 131 O LEU A 8 55.730 51.620 32.541 1.00 0.00 O ATOM 132 CB LEU A 8 55.549 48.517 31.756 1.00 0.00 C ATOM 133 CG LEU A 8 55.572 47.999 33.192 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.515 46.802 33.273 1.00 0.00 C ATOM 135 CD2 LEU A 8 56.059 49.026 34.209 1.00 0.00 C ATOM 0 H LEU A 8 54.139 48.760 29.760 1.00 0.00 H new ATOM 0 HA LEU A 8 53.980 49.835 32.349 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.209 47.713 31.104 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.570 48.758 31.459 1.00 0.00 H new ATOM 0 HG LEU A 8 54.541 47.744 33.439 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.538 46.425 34.296 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.164 46.016 32.604 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.518 47.108 32.977 1.00 0.00 H new ATOM 0 HD21 LEU A 8 56.047 48.585 35.206 1.00 0.00 H new ATOM 0 HD22 LEU A 8 57.075 49.332 33.959 1.00 0.00 H new ATOM 0 HD23 LEU A 8 55.403 49.896 34.190 1.00 0.00 H new ATOM 147 N THR A 9 55.869 51.548 30.321 1.00 0.00 N ATOM 148 CA THR A 9 56.423 52.876 30.161 1.00 0.00 C ATOM 149 C THR A 9 55.453 54.008 30.505 1.00 0.00 C ATOM 150 O THR A 9 55.867 55.162 30.592 1.00 0.00 O ATOM 151 CB THR A 9 56.979 53.116 28.760 1.00 0.00 C ATOM 152 OG1 THR A 9 55.973 53.001 27.778 1.00 0.00 O ATOM 153 CG2 THR A 9 58.079 52.137 28.360 1.00 0.00 C ATOM 0 H THR A 9 55.789 51.037 29.442 1.00 0.00 H new ATOM 0 HA THR A 9 57.236 52.901 30.887 1.00 0.00 H new ATOM 0 HB THR A 9 57.388 54.125 28.806 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.361 53.161 26.892 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.425 52.370 27.353 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.912 52.221 29.058 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.687 51.120 28.383 1.00 0.00 H new ATOM 161 N GLY A 10 54.176 53.711 30.733 1.00 0.00 N ATOM 162 CA GLY A 10 53.175 54.638 31.221 1.00 0.00 C ATOM 163 C GLY A 10 52.463 55.478 30.159 1.00 0.00 C ATOM 164 O GLY A 10 51.720 56.383 30.533 1.00 0.00 O ATOM 0 H GLY A 10 53.801 52.776 30.574 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.424 54.073 31.772 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.650 55.314 31.932 1.00 0.00 H new ATOM 168 N LYS A 11 52.658 55.206 28.872 1.00 0.00 N ATOM 169 CA LYS A 11 51.941 55.865 27.800 1.00 0.00 C ATOM 170 C LYS A 11 50.539 55.265 27.672 1.00 0.00 C ATOM 171 O LYS A 11 50.414 54.043 27.645 1.00 0.00 O ATOM 172 CB LYS A 11 52.724 55.759 26.494 1.00 0.00 C ATOM 173 CG LYS A 11 52.121 56.618 25.387 1.00 0.00 C ATOM 174 CD LYS A 11 52.861 56.432 24.065 1.00 0.00 C ATOM 175 CE LYS A 11 52.248 57.317 22.983 1.00 0.00 C ATOM 176 NZ LYS A 11 52.806 56.997 21.660 1.00 0.00 N ATOM 0 H LYS A 11 53.329 54.511 28.546 1.00 0.00 H new ATOM 0 HA LYS A 11 51.835 56.925 28.030 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.756 56.064 26.666 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.748 54.718 26.171 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.070 56.359 25.256 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.156 57.667 25.680 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.915 56.680 24.193 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.814 55.387 23.759 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.167 57.182 22.968 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.435 58.365 23.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.238 57.460 20.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.787 57.337 21.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.788 55.967 21.516 1.00 0.00 H new ATOM 190 N THR A 12 49.513 56.096 27.515 1.00 0.00 N ATOM 191 CA THR A 12 48.127 55.688 27.415 1.00 0.00 C ATOM 192 C THR A 12 47.487 56.267 26.151 1.00 0.00 C ATOM 193 O THR A 12 47.236 57.468 26.080 1.00 0.00 O ATOM 194 CB THR A 12 47.352 56.110 28.661 1.00 0.00 C ATOM 195 OG1 THR A 12 47.995 55.646 29.826 1.00 0.00 O ATOM 196 CG2 THR A 12 45.937 55.540 28.700 1.00 0.00 C ATOM 0 H THR A 12 49.635 57.107 27.452 1.00 0.00 H new ATOM 0 HA THR A 12 48.091 54.601 27.346 1.00 0.00 H new ATOM 0 HB THR A 12 47.311 57.198 28.621 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.486 55.927 30.615 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.435 55.874 29.608 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.381 55.887 27.829 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.983 54.451 28.690 1.00 0.00 H new ATOM 204 N ILE A 13 47.217 55.431 25.153 1.00 0.00 N ATOM 205 CA ILE A 13 46.593 55.817 23.903 1.00 0.00 C ATOM 206 C ILE A 13 45.085 55.559 23.923 1.00 0.00 C ATOM 207 O ILE A 13 44.633 54.539 24.439 1.00 0.00 O ATOM 208 CB ILE A 13 47.309 55.203 22.704 1.00 0.00 C ATOM 209 CG1 ILE A 13 46.842 55.841 21.399 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.185 53.682 22.649 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.641 55.425 20.168 1.00 0.00 C ATOM 0 H ILE A 13 47.436 54.436 25.199 1.00 0.00 H new ATOM 0 HA ILE A 13 46.703 56.895 23.788 1.00 0.00 H new ATOM 0 HB ILE A 13 48.369 55.420 22.834 1.00 0.00 H new ATOM 0 HG12 ILE A 13 45.794 55.586 21.239 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.894 56.925 21.501 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.715 53.305 21.774 1.00 0.00 H new ATOM 0 HG22 ILE A 13 47.619 53.249 23.550 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.133 53.405 22.583 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.240 55.926 19.287 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.686 55.705 20.301 1.00 0.00 H new ATOM 0 HD13 ILE A 13 47.569 54.345 20.035 1.00 0.00 H new ATOM 223 N THR A 14 44.311 56.470 23.340 1.00 0.00 N ATOM 224 CA THR A 14 42.884 56.350 23.118 1.00 0.00 C ATOM 225 C THR A 14 42.595 55.646 21.792 1.00 0.00 C ATOM 226 O THR A 14 43.211 55.984 20.783 1.00 0.00 O ATOM 227 CB THR A 14 42.203 57.714 23.196 1.00 0.00 C ATOM 228 OG1 THR A 14 40.847 57.626 22.820 1.00 0.00 O ATOM 229 CG2 THR A 14 42.809 58.810 22.324 1.00 0.00 C ATOM 0 H THR A 14 44.686 57.353 22.995 1.00 0.00 H new ATOM 0 HA THR A 14 42.465 55.732 23.912 1.00 0.00 H new ATOM 0 HB THR A 14 42.342 57.993 24.240 1.00 0.00 H new ATOM 0 HG1 THR A 14 40.433 58.512 22.880 1.00 0.00 H new ATOM 0 HG21 THR A 14 42.247 59.734 22.458 1.00 0.00 H new ATOM 0 HG22 THR A 14 43.848 58.972 22.612 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.766 58.508 21.278 1.00 0.00 H new ATOM 237 N LEU A 15 41.683 54.678 21.768 1.00 0.00 N ATOM 238 CA LEU A 15 41.242 53.990 20.572 1.00 0.00 C ATOM 239 C LEU A 15 39.723 53.806 20.549 1.00 0.00 C ATOM 240 O LEU A 15 39.099 53.599 21.586 1.00 0.00 O ATOM 241 CB LEU A 15 41.903 52.620 20.457 1.00 0.00 C ATOM 242 CG LEU A 15 43.426 52.576 20.354 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.896 51.125 20.376 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.954 53.193 19.062 1.00 0.00 C ATOM 0 H LEU A 15 41.219 54.344 22.613 1.00 0.00 H new ATOM 0 HA LEU A 15 41.535 54.614 19.728 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.608 52.031 21.325 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.492 52.122 19.579 1.00 0.00 H new ATOM 0 HG LEU A 15 43.806 53.149 21.200 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.983 51.094 20.302 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.582 50.655 21.308 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.460 50.588 19.534 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.042 53.132 19.048 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.549 52.651 18.208 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.649 54.238 19.006 1.00 0.00 H new ATOM 256 N GLU A 16 39.152 53.774 19.348 1.00 0.00 N ATOM 257 CA GLU A 16 37.804 53.306 19.096 1.00 0.00 C ATOM 258 C GLU A 16 37.848 52.025 18.260 1.00 0.00 C ATOM 259 O GLU A 16 38.506 51.944 17.226 1.00 0.00 O ATOM 260 CB GLU A 16 36.969 54.400 18.437 1.00 0.00 C ATOM 261 CG GLU A 16 36.529 55.497 19.402 1.00 0.00 C ATOM 262 CD GLU A 16 35.148 55.310 20.031 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.621 56.280 20.618 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.527 54.230 19.925 1.00 0.00 O ATOM 0 H GLU A 16 39.633 54.083 18.503 1.00 0.00 H new ATOM 0 HA GLU A 16 37.319 53.067 20.043 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.546 54.849 17.629 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.085 53.949 17.985 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.266 55.569 20.202 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.541 56.449 18.871 1.00 0.00 H new ATOM 271 N VAL A 17 37.156 50.994 18.740 1.00 0.00 N ATOM 272 CA VAL A 17 37.090 49.654 18.194 1.00 0.00 C ATOM 273 C VAL A 17 35.636 49.179 18.154 1.00 0.00 C ATOM 274 O VAL A 17 34.814 49.634 18.947 1.00 0.00 O ATOM 275 CB VAL A 17 37.940 48.681 19.006 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.429 49.000 18.901 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.571 48.641 20.486 1.00 0.00 C ATOM 0 H VAL A 17 36.588 51.088 19.582 1.00 0.00 H new ATOM 0 HA VAL A 17 37.489 49.680 17.180 1.00 0.00 H new ATOM 0 HB VAL A 17 37.730 47.706 18.567 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.997 48.283 19.494 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.742 48.938 17.859 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.613 50.007 19.275 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.215 47.929 21.002 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.703 49.632 20.921 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.531 48.334 20.593 1.00 0.00 H new ATOM 287 N GLU A 18 35.283 48.270 17.251 1.00 0.00 N ATOM 288 CA GLU A 18 33.956 47.686 17.234 1.00 0.00 C ATOM 289 C GLU A 18 33.830 46.552 18.253 1.00 0.00 C ATOM 290 O GLU A 18 34.789 45.814 18.465 1.00 0.00 O ATOM 291 CB GLU A 18 33.560 47.281 15.818 1.00 0.00 C ATOM 292 CG GLU A 18 33.633 48.424 14.810 1.00 0.00 C ATOM 293 CD GLU A 18 32.829 49.664 15.208 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.695 49.533 15.718 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.303 50.791 14.948 1.00 0.00 O ATOM 0 H GLU A 18 35.904 47.924 16.520 1.00 0.00 H new ATOM 0 HA GLU A 18 33.238 48.443 17.548 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.211 46.473 15.485 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.544 46.886 15.833 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.676 48.709 14.676 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.274 48.066 13.845 1.00 0.00 H new ATOM 302 N PRO A 19 32.692 46.369 18.916 1.00 0.00 N ATOM 303 CA PRO A 19 32.601 45.582 20.130 1.00 0.00 C ATOM 304 C PRO A 19 32.795 44.073 19.976 1.00 0.00 C ATOM 305 O PRO A 19 32.954 43.394 20.989 1.00 0.00 O ATOM 306 CB PRO A 19 31.247 45.924 20.745 1.00 0.00 C ATOM 307 CG PRO A 19 30.408 46.325 19.535 1.00 0.00 C ATOM 308 CD PRO A 19 31.439 47.055 18.679 1.00 0.00 C ATOM 0 HA PRO A 19 33.440 45.846 20.774 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.816 45.071 21.270 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.326 46.736 21.468 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.988 45.460 19.022 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.573 46.969 19.810 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.167 47.023 17.624 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.508 48.106 18.958 1.00 0.00 H new ATOM 316 N SER A 20 32.835 43.557 18.751 1.00 0.00 N ATOM 317 CA SER A 20 33.127 42.176 18.423 1.00 0.00 C ATOM 318 C SER A 20 34.319 42.022 17.476 1.00 0.00 C ATOM 319 O SER A 20 34.460 40.998 16.811 1.00 0.00 O ATOM 320 CB SER A 20 31.880 41.467 17.900 1.00 0.00 C ATOM 321 OG SER A 20 30.877 41.474 18.890 1.00 0.00 O ATOM 0 H SER A 20 32.655 44.124 17.923 1.00 0.00 H new ATOM 0 HA SER A 20 33.428 41.687 19.349 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.519 41.964 17.000 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.123 40.441 17.623 1.00 0.00 H new ATOM 0 HG SER A 20 30.078 41.019 18.550 1.00 0.00 H new ATOM 327 N ASP A 21 35.194 43.020 17.401 1.00 0.00 N ATOM 328 CA ASP A 21 36.413 42.996 16.619 1.00 0.00 C ATOM 329 C ASP A 21 37.431 41.984 17.149 1.00 0.00 C ATOM 330 O ASP A 21 37.451 41.660 18.334 1.00 0.00 O ATOM 331 CB ASP A 21 36.970 44.415 16.559 1.00 0.00 C ATOM 332 CG ASP A 21 37.916 44.687 15.389 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.739 44.076 14.313 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.755 45.610 15.484 1.00 0.00 O ATOM 0 H ASP A 21 35.063 43.898 17.904 1.00 0.00 H new ATOM 0 HA ASP A 21 36.188 42.656 15.608 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.136 45.115 16.503 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.498 44.622 17.490 1.00 0.00 H new ATOM 339 N THR A 22 38.289 41.458 16.278 1.00 0.00 N ATOM 340 CA THR A 22 39.335 40.518 16.624 1.00 0.00 C ATOM 341 C THR A 22 40.519 41.192 17.323 1.00 0.00 C ATOM 342 O THR A 22 40.888 42.316 16.988 1.00 0.00 O ATOM 343 CB THR A 22 39.840 39.738 15.414 1.00 0.00 C ATOM 344 OG1 THR A 22 40.288 40.576 14.372 1.00 0.00 O ATOM 345 CG2 THR A 22 38.808 38.778 14.831 1.00 0.00 C ATOM 0 H THR A 22 38.269 41.685 15.284 1.00 0.00 H new ATOM 0 HA THR A 22 38.873 39.819 17.321 1.00 0.00 H new ATOM 0 HB THR A 22 40.675 39.161 15.811 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.602 40.027 13.623 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.237 38.259 13.974 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.519 38.050 15.589 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.929 39.338 14.512 1.00 0.00 H new ATOM 353 N ILE A 23 41.186 40.483 18.228 1.00 0.00 N ATOM 354 CA ILE A 23 42.439 40.896 18.826 1.00 0.00 C ATOM 355 C ILE A 23 43.505 41.111 17.750 1.00 0.00 C ATOM 356 O ILE A 23 44.256 42.081 17.823 1.00 0.00 O ATOM 357 CB ILE A 23 42.909 39.879 19.864 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.892 39.571 20.958 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.233 40.290 20.498 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.427 40.756 21.801 1.00 0.00 C ATOM 0 H ILE A 23 40.856 39.581 18.571 1.00 0.00 H new ATOM 0 HA ILE A 23 42.276 41.845 19.337 1.00 0.00 H new ATOM 0 HB ILE A 23 43.042 38.959 19.295 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.017 39.117 20.494 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.322 38.824 21.625 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.534 39.541 21.231 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.998 40.369 19.725 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.116 41.254 20.992 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.707 40.414 22.544 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.284 41.202 22.305 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.958 41.499 21.156 1.00 0.00 H new ATOM 372 N GLU A 24 43.517 40.287 16.706 1.00 0.00 N ATOM 373 CA GLU A 24 44.316 40.493 15.515 1.00 0.00 C ATOM 374 C GLU A 24 44.140 41.890 14.915 1.00 0.00 C ATOM 375 O GLU A 24 45.125 42.584 14.675 1.00 0.00 O ATOM 376 CB GLU A 24 43.944 39.441 14.475 1.00 0.00 C ATOM 377 CG GLU A 24 44.699 38.127 14.656 1.00 0.00 C ATOM 378 CD GLU A 24 45.973 38.111 13.809 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.910 38.880 14.112 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.016 37.350 12.817 1.00 0.00 O ATOM 0 H GLU A 24 42.954 39.437 16.670 1.00 0.00 H new ATOM 0 HA GLU A 24 45.363 40.400 15.805 1.00 0.00 H new ATOM 0 HB2 GLU A 24 42.873 39.248 14.529 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.147 39.835 13.479 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.954 37.991 15.707 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.058 37.292 14.373 1.00 0.00 H new ATOM 387 N ASN A 25 42.903 42.338 14.719 1.00 0.00 N ATOM 388 CA ASN A 25 42.626 43.641 14.150 1.00 0.00 C ATOM 389 C ASN A 25 42.849 44.803 15.121 1.00 0.00 C ATOM 390 O ASN A 25 43.161 45.909 14.684 1.00 0.00 O ATOM 391 CB ASN A 25 41.216 43.642 13.565 1.00 0.00 C ATOM 392 CG ASN A 25 40.991 44.834 12.632 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.814 45.148 11.774 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.870 45.533 12.780 1.00 0.00 N ATOM 0 H ASN A 25 42.067 41.802 14.953 1.00 0.00 H new ATOM 0 HA ASN A 25 43.351 43.814 13.354 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.049 42.715 13.017 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.486 43.670 14.374 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.687 46.337 12.179 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.193 45.266 13.494 1.00 0.00 H new ATOM 401 N VAL A 26 42.772 44.582 16.429 1.00 0.00 N ATOM 402 CA VAL A 26 43.200 45.555 17.413 1.00 0.00 C ATOM 403 C VAL A 26 44.722 45.714 17.381 1.00 0.00 C ATOM 404 O VAL A 26 45.206 46.843 17.336 1.00 0.00 O ATOM 405 CB VAL A 26 42.683 45.227 18.811 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.186 46.236 19.838 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.158 45.267 18.851 1.00 0.00 C ATOM 0 H VAL A 26 42.409 43.718 16.832 1.00 0.00 H new ATOM 0 HA VAL A 26 42.758 46.516 17.148 1.00 0.00 H new ATOM 0 HB VAL A 26 43.049 44.229 19.050 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.800 45.975 20.824 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.276 46.221 19.859 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.842 47.234 19.566 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.814 45.030 19.858 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.813 46.263 18.575 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.756 44.536 18.149 1.00 0.00 H new ATOM 417 N LYS A 27 45.489 44.632 17.291 1.00 0.00 N ATOM 418 CA LYS A 27 46.927 44.680 17.129 1.00 0.00 C ATOM 419 C LYS A 27 47.346 45.345 15.816 1.00 0.00 C ATOM 420 O LYS A 27 48.319 46.095 15.807 1.00 0.00 O ATOM 421 CB LYS A 27 47.534 43.286 17.262 1.00 0.00 C ATOM 422 CG LYS A 27 47.443 42.719 18.675 1.00 0.00 C ATOM 423 CD LYS A 27 47.996 41.296 18.716 1.00 0.00 C ATOM 424 CE LYS A 27 48.001 40.777 20.150 1.00 0.00 C ATOM 425 NZ LYS A 27 48.434 39.373 20.209 1.00 0.00 N ATOM 0 H LYS A 27 45.116 43.683 17.330 1.00 0.00 H new ATOM 0 HA LYS A 27 47.319 45.304 17.932 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.027 42.610 16.574 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.581 43.323 16.960 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.001 43.353 19.364 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.405 42.722 19.009 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.390 40.644 18.087 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.008 41.279 18.311 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.665 41.390 20.759 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.002 40.870 20.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.072 38.934 21.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.064 38.860 19.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.473 39.330 20.206 1.00 0.00 H new ATOM 439 N ALA A 28 46.596 45.144 14.736 1.00 0.00 N ATOM 440 CA ALA A 28 46.815 45.820 13.473 1.00 0.00 C ATOM 441 C ALA A 28 46.516 47.319 13.531 1.00 0.00 C ATOM 442 O ALA A 28 47.264 48.115 12.967 1.00 0.00 O ATOM 443 CB ALA A 28 45.981 45.130 12.398 1.00 0.00 C ATOM 0 H ALA A 28 45.809 44.496 14.720 1.00 0.00 H new ATOM 0 HA ALA A 28 47.875 45.747 13.230 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.136 45.629 11.441 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.284 44.086 12.316 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.926 45.181 12.667 1.00 0.00 H new ATOM 449 N LYS A 29 45.492 47.738 14.268 1.00 0.00 N ATOM 450 CA LYS A 29 45.208 49.132 14.547 1.00 0.00 C ATOM 451 C LYS A 29 46.303 49.780 15.397 1.00 0.00 C ATOM 452 O LYS A 29 46.690 50.917 15.131 1.00 0.00 O ATOM 453 CB LYS A 29 43.817 49.222 15.170 1.00 0.00 C ATOM 454 CG LYS A 29 43.369 50.639 15.515 1.00 0.00 C ATOM 455 CD LYS A 29 41.922 50.677 16.001 1.00 0.00 C ATOM 456 CE LYS A 29 40.930 50.545 14.849 1.00 0.00 C ATOM 457 NZ LYS A 29 39.600 50.112 15.305 1.00 0.00 N ATOM 0 H LYS A 29 44.823 47.098 14.696 1.00 0.00 H new ATOM 0 HA LYS A 29 45.207 49.707 13.621 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.095 48.784 14.481 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.799 48.618 16.077 1.00 0.00 H new ATOM 0 HG2 LYS A 29 44.022 51.048 16.286 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.474 51.277 14.637 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.758 49.870 16.715 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.741 51.613 16.530 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.842 51.503 14.337 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.314 49.829 14.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.943 50.102 14.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.666 49.156 15.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.249 50.771 16.029 1.00 0.00 H new ATOM 471 N ILE A 30 46.864 49.056 16.360 1.00 0.00 N ATOM 472 CA ILE A 30 48.037 49.459 17.109 1.00 0.00 C ATOM 473 C ILE A 30 49.269 49.537 16.205 1.00 0.00 C ATOM 474 O ILE A 30 50.065 50.462 16.353 1.00 0.00 O ATOM 475 CB ILE A 30 48.243 48.558 18.324 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.105 48.738 19.325 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.579 48.817 19.015 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.015 47.627 20.366 1.00 0.00 C ATOM 0 H ILE A 30 46.500 48.147 16.645 1.00 0.00 H new ATOM 0 HA ILE A 30 47.876 50.466 17.493 1.00 0.00 H new ATOM 0 HB ILE A 30 48.249 47.531 17.958 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.232 49.692 19.837 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.161 48.791 18.782 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.680 48.152 19.873 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.393 48.631 18.314 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.620 49.853 19.352 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.182 47.827 21.040 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.856 46.672 19.866 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.943 47.587 20.937 1.00 0.00 H new ATOM 490 N GLN A 31 49.431 48.663 15.215 1.00 0.00 N ATOM 491 CA GLN A 31 50.488 48.773 14.231 1.00 0.00 C ATOM 492 C GLN A 31 50.348 50.038 13.382 1.00 0.00 C ATOM 493 O GLN A 31 51.335 50.733 13.153 1.00 0.00 O ATOM 494 CB GLN A 31 50.527 47.516 13.367 1.00 0.00 C ATOM 495 CG GLN A 31 51.730 47.485 12.429 1.00 0.00 C ATOM 496 CD GLN A 31 51.788 46.232 11.555 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.797 45.549 11.303 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.975 45.873 11.074 1.00 0.00 N ATOM 0 H GLN A 31 48.824 47.855 15.078 1.00 0.00 H new ATOM 0 HA GLN A 31 51.438 48.860 14.758 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.551 46.637 14.012 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.611 47.455 12.779 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.703 48.366 11.787 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.644 47.549 13.020 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.800 46.436 11.280 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.060 45.035 10.499 1.00 0.00 H new ATOM 507 N ASP A 32 49.141 50.382 12.940 1.00 0.00 N ATOM 508 CA ASP A 32 48.875 51.570 12.156 1.00 0.00 C ATOM 509 C ASP A 32 49.112 52.867 12.931 1.00 0.00 C ATOM 510 O ASP A 32 49.669 53.815 12.382 1.00 0.00 O ATOM 511 CB ASP A 32 47.449 51.475 11.621 1.00 0.00 C ATOM 512 CG ASP A 32 47.132 52.540 10.568 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.499 52.346 9.389 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.496 53.560 10.911 1.00 0.00 O ATOM 0 H ASP A 32 48.306 49.825 13.125 1.00 0.00 H new ATOM 0 HA ASP A 32 49.582 51.611 11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.295 50.487 11.188 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.749 51.572 12.450 1.00 0.00 H new ATOM 519 N LYS A 33 48.728 52.917 14.204 1.00 0.00 N ATOM 520 CA LYS A 33 48.847 54.086 15.052 1.00 0.00 C ATOM 521 C LYS A 33 50.179 54.233 15.790 1.00 0.00 C ATOM 522 O LYS A 33 50.651 55.361 15.915 1.00 0.00 O ATOM 523 CB LYS A 33 47.670 54.157 16.020 1.00 0.00 C ATOM 524 CG LYS A 33 46.418 54.693 15.330 1.00 0.00 C ATOM 525 CD LYS A 33 45.217 54.682 16.271 1.00 0.00 C ATOM 526 CE LYS A 33 44.046 55.488 15.718 1.00 0.00 C ATOM 527 NZ LYS A 33 44.209 56.929 15.965 1.00 0.00 N ATOM 0 H LYS A 33 48.314 52.117 14.683 1.00 0.00 H new ATOM 0 HA LYS A 33 48.825 54.937 14.371 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.469 53.165 16.425 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.927 54.799 16.862 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.600 55.710 14.981 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.198 54.088 14.450 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.900 53.653 16.441 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.512 55.089 17.238 1.00 0.00 H new ATOM 0 HE2 LYS A 33 43.957 55.311 14.646 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.119 55.143 16.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.393 57.443 15.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.269 57.101 16.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.080 57.263 15.506 1.00 0.00 H new ATOM 541 N GLU A 34 50.787 53.156 16.280 1.00 0.00 N ATOM 542 CA GLU A 34 51.980 53.182 17.102 1.00 0.00 C ATOM 543 C GLU A 34 53.214 52.560 16.448 1.00 0.00 C ATOM 544 O GLU A 34 54.315 52.751 16.960 1.00 0.00 O ATOM 545 CB GLU A 34 51.711 52.540 18.460 1.00 0.00 C ATOM 546 CG GLU A 34 50.746 53.317 19.352 1.00 0.00 C ATOM 547 CD GLU A 34 51.434 54.505 20.027 1.00 0.00 C ATOM 548 OE1 GLU A 34 51.964 54.355 21.149 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.496 55.606 19.439 1.00 0.00 O ATOM 0 H GLU A 34 50.446 52.211 16.106 1.00 0.00 H new ATOM 0 HA GLU A 34 52.220 54.237 17.233 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.311 51.539 18.301 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.658 52.425 18.986 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.906 53.673 18.756 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.338 52.652 20.113 1.00 0.00 H new ATOM 556 N GLY A 35 53.080 51.842 15.336 1.00 0.00 N ATOM 557 CA GLY A 35 54.198 51.322 14.575 1.00 0.00 C ATOM 558 C GLY A 35 54.817 50.020 15.087 1.00 0.00 C ATOM 559 O GLY A 35 55.955 49.713 14.739 1.00 0.00 O ATOM 0 H GLY A 35 52.172 51.604 14.936 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.869 51.164 13.548 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.977 52.084 14.547 1.00 0.00 H new ATOM 563 N ILE A 36 54.112 49.271 15.930 1.00 0.00 N ATOM 564 CA ILE A 36 54.595 48.078 16.597 1.00 0.00 C ATOM 565 C ILE A 36 54.110 46.840 15.841 1.00 0.00 C ATOM 566 O ILE A 36 52.898 46.663 15.746 1.00 0.00 O ATOM 567 CB ILE A 36 54.142 48.053 18.054 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.545 49.306 18.826 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.713 46.821 18.752 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.773 49.496 20.128 1.00 0.00 C ATOM 0 H ILE A 36 53.147 49.493 16.174 1.00 0.00 H new ATOM 0 HA ILE A 36 55.685 48.081 16.597 1.00 0.00 H new ATOM 0 HB ILE A 36 53.053 48.017 18.044 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.611 49.258 19.049 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.391 50.179 18.191 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.387 46.808 19.792 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.359 45.921 18.249 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.802 46.853 18.714 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.112 50.406 20.623 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.708 49.576 19.911 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.947 48.641 20.782 1.00 0.00 H new ATOM 582 N PRO A 37 54.971 45.956 15.345 1.00 0.00 N ATOM 583 CA PRO A 37 54.554 44.745 14.667 1.00 0.00 C ATOM 584 C PRO A 37 53.683 43.827 15.528 1.00 0.00 C ATOM 585 O PRO A 37 54.076 43.537 16.655 1.00 0.00 O ATOM 586 CB PRO A 37 55.836 44.048 14.220 1.00 0.00 C ATOM 587 CG PRO A 37 56.824 45.204 14.077 1.00 0.00 C ATOM 588 CD PRO A 37 56.405 46.119 15.224 1.00 0.00 C ATOM 0 HA PRO A 37 53.914 44.998 13.822 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.174 43.316 14.954 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.699 43.516 13.279 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.858 44.873 14.176 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.738 45.697 13.109 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.911 45.844 16.150 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.666 47.156 15.014 1.00 0.00 H new ATOM 596 N PRO A 38 52.543 43.330 15.057 1.00 0.00 N ATOM 597 CA PRO A 38 51.627 42.525 15.838 1.00 0.00 C ATOM 598 C PRO A 38 52.218 41.267 16.476 1.00 0.00 C ATOM 599 O PRO A 38 51.808 40.888 17.572 1.00 0.00 O ATOM 600 CB PRO A 38 50.491 42.152 14.889 1.00 0.00 C ATOM 601 CG PRO A 38 50.416 43.378 13.983 1.00 0.00 C ATOM 602 CD PRO A 38 51.894 43.724 13.822 1.00 0.00 C ATOM 0 HA PRO A 38 51.309 43.115 16.697 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.710 41.243 14.328 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.555 41.980 15.421 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.940 43.155 13.028 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.851 44.191 14.438 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.326 43.197 12.971 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.025 44.790 13.637 1.00 0.00 H new ATOM 610 N ASP A 39 53.213 40.643 15.852 1.00 0.00 N ATOM 611 CA ASP A 39 53.914 39.480 16.357 1.00 0.00 C ATOM 612 C ASP A 39 54.819 39.771 17.555 1.00 0.00 C ATOM 613 O ASP A 39 55.307 38.843 18.196 1.00 0.00 O ATOM 614 CB ASP A 39 54.680 38.826 15.211 1.00 0.00 C ATOM 615 CG ASP A 39 55.700 39.762 14.560 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.263 40.705 13.868 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.919 39.541 14.731 1.00 0.00 O ATOM 0 H ASP A 39 53.562 40.951 14.945 1.00 0.00 H new ATOM 0 HA ASP A 39 53.166 38.788 16.745 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.195 37.941 15.584 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.972 38.488 14.455 1.00 0.00 H new ATOM 622 N GLN A 40 55.016 41.040 17.900 1.00 0.00 N ATOM 623 CA GLN A 40 55.698 41.485 19.099 1.00 0.00 C ATOM 624 C GLN A 40 54.742 41.896 20.222 1.00 0.00 C ATOM 625 O GLN A 40 55.206 42.137 21.334 1.00 0.00 O ATOM 626 CB GLN A 40 56.626 42.648 18.758 1.00 0.00 C ATOM 627 CG GLN A 40 57.666 42.300 17.697 1.00 0.00 C ATOM 628 CD GLN A 40 58.517 43.503 17.281 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.580 44.541 17.935 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.220 43.398 16.156 1.00 0.00 N ATOM 0 H GLN A 40 54.689 41.815 17.323 1.00 0.00 H new ATOM 0 HA GLN A 40 56.270 40.635 19.472 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.028 43.490 18.409 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.137 42.974 19.664 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.318 41.514 18.078 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.161 41.897 16.819 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.175 42.541 15.605 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.803 44.175 15.845 1.00 0.00 H new ATOM 639 N GLN A 41 53.445 42.003 19.951 1.00 0.00 N ATOM 640 CA GLN A 41 52.446 42.507 20.871 1.00 0.00 C ATOM 641 C GLN A 41 51.751 41.371 21.625 1.00 0.00 C ATOM 642 O GLN A 41 51.187 40.470 21.008 1.00 0.00 O ATOM 643 CB GLN A 41 51.382 43.319 20.137 1.00 0.00 C ATOM 644 CG GLN A 41 51.847 44.540 19.348 1.00 0.00 C ATOM 645 CD GLN A 41 50.668 45.245 18.675 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.571 45.341 19.220 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.796 45.756 17.454 1.00 0.00 N ATOM 0 H GLN A 41 53.052 41.730 19.050 1.00 0.00 H new ATOM 0 HA GLN A 41 52.972 43.144 21.582 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.864 42.651 19.449 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.648 43.652 20.870 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.357 45.235 20.015 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.571 44.234 18.593 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.691 45.697 16.968 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.000 46.207 17.004 1.00 0.00 H new ATOM 656 N ARG A 42 51.669 41.469 22.949 1.00 0.00 N ATOM 657 CA ARG A 42 50.707 40.762 23.769 1.00 0.00 C ATOM 658 C ARG A 42 49.778 41.762 24.460 1.00 0.00 C ATOM 659 O ARG A 42 50.240 42.793 24.941 1.00 0.00 O ATOM 660 CB ARG A 42 51.406 39.867 24.789 1.00 0.00 C ATOM 661 CG ARG A 42 52.022 38.616 24.170 1.00 0.00 C ATOM 662 CD ARG A 42 52.669 37.779 25.270 1.00 0.00 C ATOM 663 NE ARG A 42 53.227 36.524 24.766 1.00 0.00 N ATOM 664 CZ ARG A 42 53.974 35.669 25.476 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.227 35.842 26.781 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.510 34.606 24.862 1.00 0.00 N ATOM 0 H ARG A 42 52.294 42.064 23.493 1.00 0.00 H new ATOM 0 HA ARG A 42 50.109 40.117 23.126 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.187 40.439 25.289 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.689 39.570 25.554 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.256 38.035 23.657 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.765 38.894 23.423 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.460 38.359 25.746 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.928 37.560 26.039 1.00 0.00 H new ATOM 0 HE ARG A 42 53.031 36.281 23.795 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.845 36.650 27.272 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.802 35.165 27.283 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.347 34.456 23.866 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.081 33.946 25.390 1.00 0.00 H new ATOM 680 N LEU A 43 48.486 41.452 24.525 1.00 0.00 N ATOM 681 CA LEU A 43 47.482 42.267 25.181 1.00 0.00 C ATOM 682 C LEU A 43 46.917 41.532 26.397 1.00 0.00 C ATOM 683 O LEU A 43 46.585 40.352 26.300 1.00 0.00 O ATOM 684 CB LEU A 43 46.407 42.675 24.178 1.00 0.00 C ATOM 685 CG LEU A 43 46.872 43.714 23.161 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.926 43.756 21.965 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.917 45.120 23.753 1.00 0.00 C ATOM 0 H LEU A 43 48.104 40.602 24.110 1.00 0.00 H new ATOM 0 HA LEU A 43 47.934 43.186 25.554 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.065 41.787 23.646 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.549 43.071 24.721 1.00 0.00 H new ATOM 0 HG LEU A 43 47.875 43.414 22.858 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.275 44.503 21.251 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.903 42.778 21.485 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.923 44.018 22.303 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.253 45.824 22.992 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.921 45.403 24.095 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.608 45.138 24.595 1.00 0.00 H new ATOM 699 N ILE A 44 46.837 42.208 27.540 1.00 0.00 N ATOM 700 CA ILE A 44 46.474 41.651 28.827 1.00 0.00 C ATOM 701 C ILE A 44 45.306 42.435 29.427 1.00 0.00 C ATOM 702 O ILE A 44 45.327 43.664 29.436 1.00 0.00 O ATOM 703 CB ILE A 44 47.662 41.638 29.785 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.026 41.265 29.209 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.360 40.786 31.015 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.197 39.839 28.694 1.00 0.00 C ATOM 0 H ILE A 44 47.034 43.207 27.589 1.00 0.00 H new ATOM 0 HA ILE A 44 46.165 40.617 28.674 1.00 0.00 H new ATOM 0 HB ILE A 44 47.772 42.690 30.049 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.246 41.949 28.389 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.777 41.439 29.979 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.222 40.792 31.683 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.494 41.194 31.536 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.148 39.762 30.706 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.210 39.709 28.313 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.022 39.135 29.507 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.482 39.653 27.893 1.00 0.00 H new ATOM 718 N PHE A 45 44.289 41.746 29.938 1.00 0.00 N ATOM 719 CA PHE A 45 43.156 42.353 30.607 1.00 0.00 C ATOM 720 C PHE A 45 42.492 41.411 31.613 1.00 0.00 C ATOM 721 O PHE A 45 42.400 40.209 31.374 1.00 0.00 O ATOM 722 CB PHE A 45 42.147 42.812 29.559 1.00 0.00 C ATOM 723 CG PHE A 45 40.974 43.598 30.094 1.00 0.00 C ATOM 724 CD1 PHE A 45 41.192 44.830 30.723 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.668 43.109 29.971 1.00 0.00 C ATOM 726 CE1 PHE A 45 40.111 45.568 31.220 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.587 43.849 30.463 1.00 0.00 C ATOM 728 CZ PHE A 45 38.804 45.084 31.084 1.00 0.00 C ATOM 0 H PHE A 45 44.234 40.728 29.894 1.00 0.00 H new ATOM 0 HA PHE A 45 43.521 43.207 31.178 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.667 43.423 28.821 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.767 41.935 29.035 1.00 0.00 H new ATOM 0 HD1 PHE A 45 42.197 45.212 30.825 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.494 42.156 29.494 1.00 0.00 H new ATOM 0 HE1 PHE A 45 40.286 46.514 31.710 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.582 43.466 30.363 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.969 45.660 31.456 1.00 0.00 H new ATOM 738 N ALA A 46 42.001 41.954 32.723 1.00 0.00 N ATOM 739 CA ALA A 46 41.386 41.242 33.825 1.00 0.00 C ATOM 740 C ALA A 46 42.163 40.011 34.295 1.00 0.00 C ATOM 741 O ALA A 46 41.585 38.961 34.568 1.00 0.00 O ATOM 742 CB ALA A 46 39.912 40.997 33.514 1.00 0.00 C ATOM 0 H ALA A 46 42.026 42.961 32.881 1.00 0.00 H new ATOM 0 HA ALA A 46 41.431 41.879 34.708 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.449 40.461 34.343 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.406 41.952 33.372 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.826 40.402 32.605 1.00 0.00 H new ATOM 748 N GLY A 47 43.484 40.123 34.411 1.00 0.00 N ATOM 749 CA GLY A 47 44.354 39.099 34.952 1.00 0.00 C ATOM 750 C GLY A 47 44.752 37.962 34.008 1.00 0.00 C ATOM 751 O GLY A 47 45.336 36.988 34.479 1.00 0.00 O ATOM 0 H GLY A 47 43.989 40.960 34.119 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.265 39.580 35.307 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.864 38.662 35.822 1.00 0.00 H new ATOM 755 N LYS A 48 44.459 38.055 32.714 1.00 0.00 N ATOM 756 CA LYS A 48 44.901 37.100 31.718 1.00 0.00 C ATOM 757 C LYS A 48 45.225 37.711 30.354 1.00 0.00 C ATOM 758 O LYS A 48 44.779 38.806 30.015 1.00 0.00 O ATOM 759 CB LYS A 48 43.921 35.935 31.621 1.00 0.00 C ATOM 760 CG LYS A 48 42.527 36.295 31.114 1.00 0.00 C ATOM 761 CD LYS A 48 41.635 35.058 31.185 1.00 0.00 C ATOM 762 CE LYS A 48 40.217 35.288 30.670 1.00 0.00 C ATOM 763 NZ LYS A 48 39.506 36.312 31.450 1.00 0.00 N ATOM 0 H LYS A 48 43.897 38.813 32.327 1.00 0.00 H new ATOM 0 HA LYS A 48 45.859 36.716 32.067 1.00 0.00 H new ATOM 0 HB2 LYS A 48 44.346 35.179 30.961 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.825 35.480 32.607 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.104 37.099 31.716 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.582 36.660 30.089 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.095 34.256 30.607 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.585 34.717 32.219 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.256 35.592 29.624 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.661 34.351 30.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.521 36.377 31.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.519 36.053 32.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.974 37.232 31.323 1.00 0.00 H new ATOM 777 N GLN A 49 46.019 36.986 29.572 1.00 0.00 N ATOM 778 CA GLN A 49 46.386 37.327 28.212 1.00 0.00 C ATOM 779 C GLN A 49 45.221 37.092 27.247 1.00 0.00 C ATOM 780 O GLN A 49 44.583 36.043 27.263 1.00 0.00 O ATOM 781 CB GLN A 49 47.625 36.521 27.833 1.00 0.00 C ATOM 782 CG GLN A 49 48.165 36.799 26.434 1.00 0.00 C ATOM 783 CD GLN A 49 49.392 35.941 26.124 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.180 35.578 26.995 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.588 35.548 24.868 1.00 0.00 N ATOM 0 H GLN A 49 46.438 36.111 29.886 1.00 0.00 H new ATOM 0 HA GLN A 49 46.620 38.389 28.143 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.412 36.728 28.559 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.389 35.460 27.912 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.387 36.602 25.697 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.426 37.854 26.347 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.942 35.842 24.135 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.384 34.953 24.638 1.00 0.00 H new ATOM 794 N LEU A 50 44.987 38.054 26.358 1.00 0.00 N ATOM 795 CA LEU A 50 44.017 37.984 25.284 1.00 0.00 C ATOM 796 C LEU A 50 44.676 37.325 24.071 1.00 0.00 C ATOM 797 O LEU A 50 45.338 37.990 23.277 1.00 0.00 O ATOM 798 CB LEU A 50 43.491 39.385 24.983 1.00 0.00 C ATOM 799 CG LEU A 50 42.971 40.192 26.169 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.431 41.530 25.672 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.868 39.469 26.938 1.00 0.00 C ATOM 0 H LEU A 50 45.494 38.939 26.373 1.00 0.00 H new ATOM 0 HA LEU A 50 43.158 37.376 25.567 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.291 39.954 24.509 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.687 39.297 24.253 1.00 0.00 H new ATOM 0 HG LEU A 50 43.809 40.335 26.851 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.059 42.109 26.517 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.229 42.083 25.177 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.619 41.355 24.966 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.537 40.090 27.770 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.027 39.276 26.272 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.252 38.523 27.321 1.00 0.00 H new ATOM 813 N GLU A 51 44.543 36.010 23.935 1.00 0.00 N ATOM 814 CA GLU A 51 45.053 35.275 22.794 1.00 0.00 C ATOM 815 C GLU A 51 44.196 35.465 21.541 1.00 0.00 C ATOM 816 O GLU A 51 43.018 35.810 21.599 1.00 0.00 O ATOM 817 CB GLU A 51 45.301 33.811 23.143 1.00 0.00 C ATOM 818 CG GLU A 51 46.509 33.632 24.058 1.00 0.00 C ATOM 819 CD GLU A 51 47.021 32.190 24.074 1.00 0.00 C ATOM 820 OE1 GLU A 51 46.345 31.311 24.649 1.00 0.00 O ATOM 821 OE2 GLU A 51 48.107 31.926 23.514 1.00 0.00 O ATOM 0 H GLU A 51 44.072 35.423 24.624 1.00 0.00 H new ATOM 0 HA GLU A 51 46.024 35.701 22.539 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.416 33.400 23.629 1.00 0.00 H new ATOM 0 HB3 GLU A 51 45.455 33.242 22.226 1.00 0.00 H new ATOM 0 HG2 GLU A 51 47.310 34.295 23.731 1.00 0.00 H new ATOM 0 HG3 GLU A 51 46.241 33.931 25.071 1.00 0.00 H new ATOM 828 N ASP A 52 44.823 35.253 20.387 1.00 0.00 N ATOM 829 CA ASP A 52 44.421 35.770 19.095 1.00 0.00 C ATOM 830 C ASP A 52 43.304 34.990 18.396 1.00 0.00 C ATOM 831 O ASP A 52 42.877 35.378 17.312 1.00 0.00 O ATOM 832 CB ASP A 52 45.646 35.907 18.196 1.00 0.00 C ATOM 833 CG ASP A 52 46.772 36.760 18.785 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.892 37.953 18.432 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.589 36.237 19.573 1.00 0.00 O ATOM 0 H ASP A 52 45.669 34.685 20.332 1.00 0.00 H new ATOM 0 HA ASP A 52 43.979 36.747 19.289 1.00 0.00 H new ATOM 0 HB2 ASP A 52 46.036 34.912 17.980 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.337 36.342 17.245 1.00 0.00 H new ATOM 840 N GLY A 53 42.765 33.929 18.989 1.00 0.00 N ATOM 841 CA GLY A 53 41.643 33.187 18.451 1.00 0.00 C ATOM 842 C GLY A 53 40.260 33.747 18.788 1.00 0.00 C ATOM 843 O GLY A 53 39.259 33.205 18.325 1.00 0.00 O ATOM 0 H GLY A 53 43.107 33.558 19.875 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.744 33.145 17.367 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.699 32.162 18.816 1.00 0.00 H new ATOM 847 N ARG A 54 40.174 34.799 19.598 1.00 0.00 N ATOM 848 CA ARG A 54 38.947 35.370 20.119 1.00 0.00 C ATOM 849 C ARG A 54 38.744 36.836 19.733 1.00 0.00 C ATOM 850 O ARG A 54 39.615 37.466 19.138 1.00 0.00 O ATOM 851 CB ARG A 54 38.917 35.130 21.626 1.00 0.00 C ATOM 852 CG ARG A 54 38.505 33.709 21.996 1.00 0.00 C ATOM 853 CD ARG A 54 38.528 33.441 23.499 1.00 0.00 C ATOM 854 NE ARG A 54 39.887 33.277 24.015 1.00 0.00 N ATOM 855 CZ ARG A 54 40.624 32.157 24.028 1.00 0.00 C ATOM 856 NH1 ARG A 54 40.157 30.972 23.614 1.00 0.00 N ATOM 857 NH2 ARG A 54 41.896 32.196 24.448 1.00 0.00 N ATOM 0 H ARG A 54 41.003 35.297 19.922 1.00 0.00 H new ATOM 0 HA ARG A 54 38.095 34.870 19.658 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.904 35.336 22.041 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.225 35.835 22.087 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.501 33.520 21.616 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.172 33.005 21.499 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.041 34.266 24.020 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.950 32.543 23.714 1.00 0.00 H new ATOM 0 HE ARG A 54 40.324 34.110 24.410 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.200 30.893 23.269 1.00 0.00 H new ATOM 0 HH12 ARG A 54 40.758 30.148 23.644 1.00 0.00 H new ATOM 0 HH21 ARG A 54 42.304 33.078 24.758 1.00 0.00 H new ATOM 0 HH22 ARG A 54 42.456 31.344 24.458 1.00 0.00 H new ATOM 871 N THR A 55 37.580 37.380 20.080 1.00 0.00 N ATOM 872 CA THR A 55 37.128 38.734 19.837 1.00 0.00 C ATOM 873 C THR A 55 36.854 39.503 21.131 1.00 0.00 C ATOM 874 O THR A 55 36.739 38.906 22.199 1.00 0.00 O ATOM 875 CB THR A 55 35.880 38.764 18.959 1.00 0.00 C ATOM 876 OG1 THR A 55 34.773 38.167 19.595 1.00 0.00 O ATOM 877 CG2 THR A 55 36.068 38.074 17.612 1.00 0.00 C ATOM 0 H THR A 55 36.877 36.835 20.579 1.00 0.00 H new ATOM 0 HA THR A 55 37.947 39.228 19.313 1.00 0.00 H new ATOM 0 HB THR A 55 35.696 39.825 18.789 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.915 37.199 19.658 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.142 38.133 17.040 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.868 38.567 17.059 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.329 37.028 17.772 1.00 0.00 H new ATOM 885 N LEU A 56 36.718 40.824 21.056 1.00 0.00 N ATOM 886 CA LEU A 56 36.458 41.673 22.200 1.00 0.00 C ATOM 887 C LEU A 56 35.205 41.286 22.989 1.00 0.00 C ATOM 888 O LEU A 56 35.239 41.291 24.218 1.00 0.00 O ATOM 889 CB LEU A 56 36.383 43.127 21.740 1.00 0.00 C ATOM 890 CG LEU A 56 37.691 43.721 21.226 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.438 45.138 20.717 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.773 43.796 22.299 1.00 0.00 C ATOM 0 H LEU A 56 36.788 41.338 20.178 1.00 0.00 H new ATOM 0 HA LEU A 56 37.288 41.537 22.894 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.635 43.202 20.951 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.030 43.736 22.573 1.00 0.00 H new ATOM 0 HG LEU A 56 38.043 43.061 20.433 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.371 45.565 20.349 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.708 45.109 19.908 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.053 45.753 21.530 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.679 44.227 21.873 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.426 44.421 23.122 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.988 42.794 22.670 1.00 0.00 H new ATOM 904 N SER A 57 34.128 40.887 22.320 1.00 0.00 N ATOM 905 CA SER A 57 32.920 40.390 22.947 1.00 0.00 C ATOM 906 C SER A 57 33.075 39.009 23.589 1.00 0.00 C ATOM 907 O SER A 57 32.419 38.759 24.597 1.00 0.00 O ATOM 908 CB SER A 57 31.754 40.393 21.963 1.00 0.00 C ATOM 909 OG SER A 57 32.096 39.798 20.732 1.00 0.00 O ATOM 0 H SER A 57 34.075 40.903 21.301 1.00 0.00 H new ATOM 0 HA SER A 57 32.708 41.081 23.763 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.910 39.860 22.400 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.428 41.419 21.791 1.00 0.00 H new ATOM 0 HG SER A 57 31.631 40.261 20.004 1.00 0.00 H new ATOM 915 N ASP A 58 33.967 38.147 23.109 1.00 0.00 N ATOM 916 CA ASP A 58 34.267 36.898 23.780 1.00 0.00 C ATOM 917 C ASP A 58 34.911 37.133 25.147 1.00 0.00 C ATOM 918 O ASP A 58 34.668 36.365 26.075 1.00 0.00 O ATOM 919 CB ASP A 58 35.190 36.011 22.950 1.00 0.00 C ATOM 920 CG ASP A 58 34.628 35.641 21.575 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.459 35.205 21.488 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.372 35.777 20.580 1.00 0.00 O ATOM 0 H ASP A 58 34.496 38.298 22.250 1.00 0.00 H new ATOM 0 HA ASP A 58 33.311 36.391 23.912 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.144 36.522 22.816 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.394 35.096 23.506 1.00 0.00 H new ATOM 927 N TYR A 59 35.692 38.202 25.278 1.00 0.00 N ATOM 928 CA TYR A 59 36.326 38.645 26.503 1.00 0.00 C ATOM 929 C TYR A 59 35.499 39.651 27.307 1.00 0.00 C ATOM 930 O TYR A 59 35.976 40.166 28.314 1.00 0.00 O ATOM 931 CB TYR A 59 37.713 39.187 26.172 1.00 0.00 C ATOM 932 CG TYR A 59 38.680 38.194 25.570 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.182 38.390 24.278 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.156 37.131 26.345 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.166 37.540 23.760 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.138 36.270 25.840 1.00 0.00 C ATOM 937 CZ TYR A 59 40.658 36.480 24.547 1.00 0.00 C ATOM 938 OH TYR A 59 41.614 35.638 24.058 1.00 0.00 O ATOM 0 H TYR A 59 35.907 38.810 24.488 1.00 0.00 H new ATOM 0 HA TYR A 59 36.410 37.780 27.161 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.601 40.022 25.480 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.154 39.587 27.085 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.807 39.204 23.676 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.764 36.974 27.339 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.546 37.696 22.761 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.496 35.447 26.440 1.00 0.00 H new ATOM 0 HH TYR A 59 41.914 35.957 23.181 1.00 0.00 H new ATOM 948 N ASN A 60 34.265 39.939 26.904 1.00 0.00 N ATOM 949 CA ASN A 60 33.354 40.855 27.559 1.00 0.00 C ATOM 950 C ASN A 60 33.893 42.275 27.749 1.00 0.00 C ATOM 951 O ASN A 60 33.649 42.898 28.781 1.00 0.00 O ATOM 952 CB ASN A 60 32.783 40.217 28.821 1.00 0.00 C ATOM 953 CG ASN A 60 31.961 38.958 28.540 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.761 39.027 28.280 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.580 37.781 28.552 1.00 0.00 N ATOM 0 H ASN A 60 33.859 39.516 26.070 1.00 0.00 H new ATOM 0 HA ASN A 60 32.523 41.024 26.875 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.601 39.966 29.496 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.157 40.945 29.337 1.00 0.00 H new ATOM 0 HD21 ASN A 60 32.059 36.929 28.345 1.00 0.00 H new ATOM 0 HD22 ASN A 60 33.576 37.731 28.768 1.00 0.00 H new ATOM 962 N ILE A 61 34.631 42.799 26.775 1.00 0.00 N ATOM 963 CA ILE A 61 35.235 44.115 26.804 1.00 0.00 C ATOM 964 C ILE A 61 34.253 45.160 26.268 1.00 0.00 C ATOM 965 O ILE A 61 33.710 45.001 25.177 1.00 0.00 O ATOM 966 CB ILE A 61 36.570 44.112 26.065 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.567 43.170 26.733 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.157 45.518 25.989 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.813 42.848 25.911 1.00 0.00 C ATOM 0 H ILE A 61 34.829 42.293 25.912 1.00 0.00 H new ATOM 0 HA ILE A 61 35.457 44.390 27.835 1.00 0.00 H new ATOM 0 HB ILE A 61 36.380 43.757 25.052 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.880 43.611 27.679 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.057 42.236 26.970 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.108 45.487 25.457 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.466 46.173 25.458 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.317 45.900 26.997 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.456 42.172 26.475 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.519 42.373 24.975 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.355 43.769 25.696 1.00 0.00 H new ATOM 981 N GLN A 62 34.039 46.229 27.030 1.00 0.00 N ATOM 982 CA GLN A 62 33.102 47.301 26.763 1.00 0.00 C ATOM 983 C GLN A 62 33.706 48.680 27.036 1.00 0.00 C ATOM 984 O GLN A 62 34.831 48.777 27.521 1.00 0.00 O ATOM 985 CB GLN A 62 31.850 47.081 27.608 1.00 0.00 C ATOM 986 CG GLN A 62 31.082 45.831 27.191 1.00 0.00 C ATOM 987 CD GLN A 62 29.749 45.642 27.919 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.230 46.521 28.602 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.132 44.473 27.773 1.00 0.00 N ATOM 0 H GLN A 62 34.549 46.373 27.902 1.00 0.00 H new ATOM 0 HA GLN A 62 32.846 47.281 25.704 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.133 46.998 28.657 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.199 47.951 27.521 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.894 45.874 26.118 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.708 44.957 27.370 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.558 43.739 27.207 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.233 44.311 28.227 1.00 0.00 H new ATOM 998 N LYS A 63 32.975 49.748 26.728 1.00 0.00 N ATOM 999 CA LYS A 63 33.412 51.129 26.781 1.00 0.00 C ATOM 1000 C LYS A 63 34.141 51.557 28.055 1.00 0.00 C ATOM 1001 O LYS A 63 33.809 51.130 29.159 1.00 0.00 O ATOM 1002 CB LYS A 63 32.236 52.048 26.466 1.00 0.00 C ATOM 1003 CG LYS A 63 31.148 52.070 27.538 1.00 0.00 C ATOM 1004 CD LYS A 63 29.932 52.899 27.135 1.00 0.00 C ATOM 1005 CE LYS A 63 29.115 52.224 26.038 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.896 52.988 25.727 1.00 0.00 N ATOM 0 H LYS A 63 32.007 49.661 26.418 1.00 0.00 H new ATOM 0 HA LYS A 63 34.184 51.220 26.017 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.611 53.062 26.325 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.791 51.738 25.520 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.831 51.048 27.748 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.564 52.471 28.462 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.300 53.063 28.008 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.260 53.880 26.790 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.723 52.125 25.139 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.844 51.216 26.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.363 52.502 24.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.305 53.061 26.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.157 53.941 25.404 1.00 0.00 H new ATOM 1020 N GLU A 64 35.145 52.413 27.890 1.00 0.00 N ATOM 1021 CA GLU A 64 36.052 52.907 28.907 1.00 0.00 C ATOM 1022 C GLU A 64 36.765 51.816 29.708 1.00 0.00 C ATOM 1023 O GLU A 64 37.061 51.982 30.889 1.00 0.00 O ATOM 1024 CB GLU A 64 35.434 54.037 29.726 1.00 0.00 C ATOM 1025 CG GLU A 64 35.303 55.344 28.950 1.00 0.00 C ATOM 1026 CD GLU A 64 34.853 56.508 29.836 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.664 57.056 30.613 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.677 56.922 29.740 1.00 0.00 O ATOM 0 H GLU A 64 35.357 52.805 26.972 1.00 0.00 H new ATOM 0 HA GLU A 64 36.885 53.370 28.378 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.448 53.728 30.072 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.044 54.209 30.613 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.262 55.589 28.493 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.587 55.211 28.139 1.00 0.00 H new ATOM 1035 N SER A 65 37.090 50.703 29.058 1.00 0.00 N ATOM 1036 CA SER A 65 38.043 49.718 29.530 1.00 0.00 C ATOM 1037 C SER A 65 39.466 50.069 29.089 1.00 0.00 C ATOM 1038 O SER A 65 39.652 50.623 28.007 1.00 0.00 O ATOM 1039 CB SER A 65 37.719 48.315 29.028 1.00 0.00 C ATOM 1040 OG SER A 65 36.426 47.907 29.413 1.00 0.00 O ATOM 0 H SER A 65 36.680 50.458 28.157 1.00 0.00 H new ATOM 0 HA SER A 65 37.974 49.731 30.618 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.799 48.290 27.941 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.454 47.611 29.418 1.00 0.00 H new ATOM 0 HG SER A 65 35.764 48.311 28.815 1.00 0.00 H new ATOM 1046 N THR A 66 40.473 49.691 29.872 1.00 0.00 N ATOM 1047 CA THR A 66 41.876 49.884 29.564 1.00 0.00 C ATOM 1048 C THR A 66 42.590 48.533 29.493 1.00 0.00 C ATOM 1049 O THR A 66 42.533 47.761 30.449 1.00 0.00 O ATOM 1050 CB THR A 66 42.562 50.779 30.592 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.880 52.012 30.656 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.016 51.094 30.256 1.00 0.00 C ATOM 0 H THR A 66 40.323 49.227 30.768 1.00 0.00 H new ATOM 0 HA THR A 66 41.936 50.380 28.595 1.00 0.00 H new ATOM 0 HB THR A 66 42.540 50.231 31.534 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.314 52.592 31.316 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.438 51.734 31.031 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.586 50.167 30.201 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.065 51.607 29.295 1.00 0.00 H new ATOM 1060 N LEU A 67 43.282 48.262 28.391 1.00 0.00 N ATOM 1061 CA LEU A 67 44.042 47.050 28.165 1.00 0.00 C ATOM 1062 C LEU A 67 45.533 47.334 28.362 1.00 0.00 C ATOM 1063 O LEU A 67 46.023 48.384 27.956 1.00 0.00 O ATOM 1064 CB LEU A 67 43.765 46.494 26.770 1.00 0.00 C ATOM 1065 CG LEU A 67 42.317 46.501 26.287 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.243 45.854 24.907 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.350 45.739 27.188 1.00 0.00 C ATOM 0 H LEU A 67 43.327 48.909 27.604 1.00 0.00 H new ATOM 0 HA LEU A 67 43.734 46.294 28.887 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.361 47.062 26.056 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.126 45.466 26.739 1.00 0.00 H new ATOM 0 HG LEU A 67 42.016 47.549 26.284 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.210 45.857 24.559 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.863 46.415 24.208 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.603 44.827 24.967 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.344 45.795 26.772 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.659 44.696 27.253 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.355 46.182 28.184 1.00 0.00 H new ATOM 1079 N HIS A 68 46.277 46.391 28.936 1.00 0.00 N ATOM 1080 CA HIS A 68 47.721 46.488 29.013 1.00 0.00 C ATOM 1081 C HIS A 68 48.354 45.900 27.749 1.00 0.00 C ATOM 1082 O HIS A 68 47.929 44.845 27.284 1.00 0.00 O ATOM 1083 CB HIS A 68 48.260 45.798 30.262 1.00 0.00 C ATOM 1084 CG HIS A 68 47.816 46.423 31.556 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.582 47.285 32.339 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.620 46.192 32.185 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.832 47.572 33.405 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.654 46.928 33.352 1.00 0.00 N ATOM 0 H HIS A 68 45.892 45.545 29.357 1.00 0.00 H new ATOM 0 HA HIS A 68 47.989 47.542 29.083 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.946 44.754 30.250 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.349 45.804 30.224 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.815 45.562 31.838 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.132 48.234 34.204 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.914 46.975 34.052 1.00 0.00 H new ATOM 1096 N LEU A 69 49.384 46.556 27.223 1.00 0.00 N ATOM 1097 CA LEU A 69 50.172 46.135 26.082 1.00 0.00 C ATOM 1098 C LEU A 69 51.591 45.803 26.549 1.00 0.00 C ATOM 1099 O LEU A 69 52.266 46.648 27.132 1.00 0.00 O ATOM 1100 CB LEU A 69 50.122 47.237 25.028 1.00 0.00 C ATOM 1101 CG LEU A 69 51.068 47.087 23.841 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.822 45.818 23.030 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.915 48.280 22.902 1.00 0.00 C ATOM 0 H LEU A 69 49.705 47.445 27.607 1.00 0.00 H new ATOM 0 HA LEU A 69 49.773 45.229 25.625 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.103 47.298 24.646 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.337 48.187 25.517 1.00 0.00 H new ATOM 0 HG LEU A 69 52.072 47.032 24.261 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.528 45.773 22.201 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.957 44.946 23.669 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.804 45.827 22.639 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.593 48.167 22.056 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.888 48.328 22.540 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.154 49.198 23.438 1.00 0.00 H new ATOM 1115 N VAL A 70 52.039 44.580 26.279 1.00 0.00 N ATOM 1116 CA VAL A 70 53.347 44.057 26.620 1.00 0.00 C ATOM 1117 C VAL A 70 54.107 43.741 25.329 1.00 0.00 C ATOM 1118 O VAL A 70 53.583 43.058 24.452 1.00 0.00 O ATOM 1119 CB VAL A 70 53.232 42.829 27.518 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.597 42.245 27.878 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.506 43.157 28.820 1.00 0.00 C ATOM 0 H VAL A 70 51.463 43.895 25.790 1.00 0.00 H new ATOM 0 HA VAL A 70 53.902 44.806 27.184 1.00 0.00 H new ATOM 0 HB VAL A 70 52.665 42.096 26.943 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.462 41.373 28.518 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.118 41.950 26.967 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.186 42.995 28.406 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.441 42.260 29.436 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.056 43.929 29.359 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.502 43.516 28.596 1.00 0.00 H new ATOM 1131 N LEU A 71 55.333 44.246 25.219 1.00 0.00 N ATOM 1132 CA LEU A 71 56.196 44.022 24.077 1.00 0.00 C ATOM 1133 C LEU A 71 57.162 42.872 24.362 1.00 0.00 C ATOM 1134 O LEU A 71 57.777 42.814 25.426 1.00 0.00 O ATOM 1135 CB LEU A 71 56.931 45.301 23.687 1.00 0.00 C ATOM 1136 CG LEU A 71 56.141 46.310 22.857 1.00 0.00 C ATOM 1137 CD1 LEU A 71 54.944 46.912 23.586 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.065 47.452 22.440 1.00 0.00 C ATOM 0 H LEU A 71 55.757 44.833 25.938 1.00 0.00 H new ATOM 0 HA LEU A 71 55.581 43.736 23.223 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.265 45.795 24.599 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.825 45.025 23.129 1.00 0.00 H new ATOM 0 HG LEU A 71 55.754 45.759 22.000 1.00 0.00 H new ATOM 0 HD11 LEU A 71 54.436 47.618 22.930 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.253 46.118 23.869 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.287 47.431 24.481 1.00 0.00 H new ATOM 0 HD21 LEU A 71 56.505 48.175 21.847 1.00 0.00 H new ATOM 0 HD22 LEU A 71 57.462 47.942 23.329 1.00 0.00 H new ATOM 0 HD23 LEU A 71 57.888 47.055 21.846 1.00 0.00 H new ATOM 1150 N ARG A 72 57.330 41.963 23.406 1.00 0.00 N ATOM 1151 CA ARG A 72 58.216 40.820 23.491 1.00 0.00 C ATOM 1152 C ARG A 72 59.649 41.171 23.085 1.00 0.00 C ATOM 1153 O ARG A 72 60.138 40.693 22.065 1.00 0.00 O ATOM 1154 CB ARG A 72 57.654 39.636 22.709 1.00 0.00 C ATOM 1155 CG ARG A 72 56.266 39.201 23.168 1.00 0.00 C ATOM 1156 CD ARG A 72 55.913 37.794 22.693 1.00 0.00 C ATOM 1157 NE ARG A 72 55.983 37.645 21.240 1.00 0.00 N ATOM 1158 CZ ARG A 72 56.567 36.651 20.558 1.00 0.00 C ATOM 1159 NH1 ARG A 72 57.310 35.692 21.127 1.00 0.00 N ATOM 1160 NH2 ARG A 72 56.412 36.543 19.232 1.00 0.00 N ATOM 0 H ARG A 72 56.830 42.010 22.518 1.00 0.00 H new ATOM 0 HA ARG A 72 58.270 40.517 24.537 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.612 39.897 21.652 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.338 38.793 22.802 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.218 39.237 24.256 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.524 39.906 22.792 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.591 37.079 23.159 1.00 0.00 H new ATOM 0 HD3 ARG A 72 54.907 37.545 23.030 1.00 0.00 H new ATOM 0 HE ARG A 72 55.539 38.377 20.686 1.00 0.00 H new ATOM 0 HH11 ARG A 72 57.457 35.692 22.136 1.00 0.00 H new ATOM 0 HH12 ARG A 72 57.728 34.962 20.551 1.00 0.00 H new ATOM 0 HH21 ARG A 72 55.843 37.223 18.728 1.00 0.00 H new ATOM 0 HH22 ARG A 72 56.863 35.781 18.726 1.00 0.00 H new ATOM 1174 N LEU A 73 60.317 42.035 23.845 1.00 0.00 N ATOM 1175 CA LEU A 73 61.686 42.439 23.597 1.00 0.00 C ATOM 1176 C LEU A 73 62.597 41.215 23.494 1.00 0.00 C ATOM 1177 O LEU A 73 62.542 40.321 24.336 1.00 0.00 O ATOM 1178 CB LEU A 73 62.175 43.396 24.681 1.00 0.00 C ATOM 1179 CG LEU A 73 61.867 44.872 24.441 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.385 45.154 24.207 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.337 45.676 25.649 1.00 0.00 C ATOM 0 H LEU A 73 59.907 42.480 24.666 1.00 0.00 H new ATOM 0 HA LEU A 73 61.720 42.968 22.645 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.730 43.100 25.631 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.254 43.280 24.784 1.00 0.00 H new ATOM 0 HG LEU A 73 62.393 45.163 23.532 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.239 46.222 24.044 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.044 44.603 23.331 1.00 0.00 H new ATOM 0 HD13 LEU A 73 59.813 44.839 25.079 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.122 46.733 25.489 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.815 45.331 26.541 1.00 0.00 H new ATOM 0 HD23 LEU A 73 63.410 45.540 25.781 1.00 0.00 H new ATOM 1193 N ARG A 74 63.389 41.162 22.426 1.00 0.00 N ATOM 1194 CA ARG A 74 64.146 40.040 21.907 1.00 0.00 C ATOM 1195 C ARG A 74 63.359 38.777 21.551 1.00 0.00 C ATOM 1196 O ARG A 74 63.686 38.147 20.547 1.00 0.00 O ATOM 1197 CB ARG A 74 65.343 39.731 22.800 1.00 0.00 C ATOM 1198 CG ARG A 74 66.396 40.835 22.815 1.00 0.00 C ATOM 1199 CD ARG A 74 67.502 40.503 23.812 1.00 0.00 C ATOM 1200 NE ARG A 74 68.610 41.456 23.750 1.00 0.00 N ATOM 1201 CZ ARG A 74 69.731 41.407 24.483 1.00 0.00 C ATOM 1202 NH1 ARG A 74 69.947 40.507 25.451 1.00 0.00 N ATOM 1203 NH2 ARG A 74 70.729 42.274 24.263 1.00 0.00 N ATOM 0 H ARG A 74 63.526 41.991 21.848 1.00 0.00 H new ATOM 0 HA ARG A 74 64.491 40.388 20.933 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.992 39.562 23.818 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.806 38.803 22.464 1.00 0.00 H new ATOM 0 HG2 ARG A 74 66.820 40.955 21.818 1.00 0.00 H new ATOM 0 HG3 ARG A 74 65.932 41.785 23.080 1.00 0.00 H new ATOM 0 HD2 ARG A 74 67.089 40.495 24.821 1.00 0.00 H new ATOM 0 HD3 ARG A 74 67.878 39.499 23.614 1.00 0.00 H new ATOM 0 HE ARG A 74 68.521 42.228 23.089 1.00 0.00 H new ATOM 0 HH11 ARG A 74 69.236 39.807 25.665 1.00 0.00 H new ATOM 0 HH12 ARG A 74 70.822 40.521 25.975 1.00 0.00 H new ATOM 0 HH21 ARG A 74 70.640 42.980 23.532 1.00 0.00 H new ATOM 0 HH22 ARG A 74 71.578 42.228 24.827 1.00 0.00 H new ATOM 1217 N GLY A 75 62.315 38.403 22.285 1.00 0.00 N ATOM 1218 CA GLY A 75 61.548 37.191 22.084 1.00 0.00 C ATOM 1219 C GLY A 75 60.632 37.165 20.858 1.00 0.00 C ATOM 1220 O GLY A 75 60.331 36.081 20.362 1.00 0.00 O ATOM 0 H GLY A 75 61.972 38.963 23.066 1.00 0.00 H new ATOM 0 HA2 GLY A 75 62.243 36.354 22.010 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.938 37.021 22.971 1.00 0.00 H new ATOM 1224 N GLY A 76 60.210 38.324 20.361 1.00 0.00 N ATOM 1225 CA GLY A 76 59.433 38.513 19.153 1.00 0.00 C ATOM 1226 C GLY A 76 60.225 39.191 18.033 1.00 0.00 C ATOM 1227 O GLY A 76 60.894 40.213 18.296 1.00 0.00 O ATOM 1228 OXT GLY A 76 60.168 38.707 16.882 1.00 0.00 O ATOM 0 H GLY A 76 60.418 39.208 20.825 1.00 0.00 H new ATOM 0 HA2 GLY A 76 59.075 37.545 18.803 1.00 0.00 H new ATOM 0 HA3 GLY A 76 58.553 39.114 19.384 1.00 0.00 H new TER 1232 GLY A 76