USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 627 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 7 THR OG1 : rot -65:sc= 0.169 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0393) USER MOD Single : A 1 MET N :NH3+ -117:sc=-0.00449 (180deg=-0.294) USER MOD Single : A 2 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -146:sc= 0.56 (180deg=0.106) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -76:sc= 0.171 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0348) USER MOD Single : A 31 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-3.1!) USER MOD Single : A 41 GLN : amide:sc= -2.83! X(o=-2.8!,f=-3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 52:sc= 0.305 USER MOD Single : A 60 ASN : amide:sc= -0.0558 K(o=-0.056,f=-0.65) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= -0.0979 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 27.631 24.803 2.576 1.00 49.53 N ATOM 2 CA MET A 1 26.523 25.747 2.810 1.00 50.07 C ATOM 3 C MET A 1 26.923 27.078 3.493 1.00 50.51 C ATOM 4 O MET A 1 27.941 27.108 4.184 1.00 49.49 O ATOM 5 CB MET A 1 25.433 25.062 3.631 1.00 49.82 C ATOM 6 CG MET A 1 24.695 23.951 2.897 1.00 49.86 C ATOM 7 SD MET A 1 23.660 22.960 3.991 1.00 49.91 S ATOM 8 CE MET A 1 22.362 24.132 4.380 1.00 49.78 C ATOM 0 H1 MET A 1 27.748 24.652 1.554 1.00 49.53 H new ATOM 0 H2 MET A 1 28.510 25.194 2.971 1.00 49.53 H new ATOM 0 H3 MET A 1 27.418 23.896 3.038 1.00 49.53 H new ATOM 0 HA MET A 1 26.165 26.024 1.818 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.882 24.648 4.534 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.710 25.813 3.950 1.00 49.82 H new ATOM 0 HG2 MET A 1 24.075 24.388 2.115 1.00 49.86 H new ATOM 0 HG3 MET A 1 25.420 23.303 2.404 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.586 23.636 4.963 1.00 49.78 H new ATOM 0 HE2 MET A 1 22.778 24.957 4.958 1.00 49.78 H new ATOM 0 HE3 MET A 1 21.931 24.517 3.456 1.00 49.78 H new ATOM 18 N GLN A 2 26.106 28.061 3.262 1.00 49.53 N ATOM 19 CA GLN A 2 26.369 29.388 3.902 1.00 50.07 C ATOM 20 C GLN A 2 25.777 29.638 5.281 1.00 50.51 C ATOM 21 O GLN A 2 24.537 29.582 5.513 1.00 49.49 O ATOM 22 CB GLN A 2 25.903 30.507 2.966 1.00 49.82 C ATOM 23 CG GLN A 2 26.688 30.601 1.670 1.00 49.82 C ATOM 24 CD GLN A 2 28.128 31.024 1.894 1.00 50.55 C ATOM 25 OE1 GLN A 2 28.826 30.470 2.746 1.00 49.45 O ATOM 26 NE2 GLN A 2 28.579 32.014 1.132 1.00 49.38 N ATOM 0 H GLN A 2 25.278 28.013 2.668 1.00 49.53 H new ATOM 0 HA GLN A 2 27.447 29.378 4.066 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.850 30.353 2.730 1.00 49.82 H new ATOM 0 HB3 GLN A 2 25.976 31.459 3.492 1.00 49.82 H new ATOM 0 HG2 GLN A 2 26.670 29.634 1.167 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.202 31.315 1.005 1.00 49.82 H new ATOM 0 HE21 GLN A 2 27.966 32.444 0.439 1.00 49.38 H new ATOM 0 HE22 GLN A 2 29.538 32.344 1.240 1.00 49.38 H new ATOM 35 N ILE A 3 26.662 29.858 6.241 1.00 49.53 N ATOM 36 CA ILE A 3 26.228 30.257 7.593 1.00 50.07 C ATOM 37 C ILE A 3 26.882 31.621 7.967 1.00 50.51 C ATOM 38 O ILE A 3 27.952 31.863 7.435 1.00 49.49 O ATOM 39 CB ILE A 3 26.604 29.201 8.649 1.00 49.91 C ATOM 40 CG1 ILE A 3 25.842 29.455 9.953 1.00 49.82 C ATOM 41 CG2 ILE A 3 28.105 29.209 8.897 1.00 49.73 C ATOM 42 CD1 ILE A 3 26.067 28.396 11.008 1.00 49.73 C ATOM 0 H ILE A 3 27.672 29.772 6.124 1.00 49.53 H new ATOM 0 HA ILE A 3 25.142 30.349 7.583 1.00 50.07 H new ATOM 0 HB ILE A 3 26.323 28.218 8.272 1.00 49.91 H new ATOM 0 HG12 ILE A 3 26.140 30.423 10.354 1.00 49.82 H new ATOM 0 HG13 ILE A 3 24.776 29.516 9.734 1.00 49.82 H new ATOM 0 HG21 ILE A 3 28.354 28.457 9.646 1.00 49.73 H new ATOM 0 HG22 ILE A 3 28.628 28.983 7.968 1.00 49.73 H new ATOM 0 HG23 ILE A 3 28.409 30.192 9.255 1.00 49.73 H new ATOM 0 HD11 ILE A 3 25.495 28.645 11.902 1.00 49.73 H new ATOM 0 HD12 ILE A 3 25.742 27.428 10.627 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.127 28.350 11.257 1.00 49.73 H new ATOM 54 N PHE A 4 26.280 32.238 8.955 1.00 49.53 N ATOM 55 CA PHE A 4 26.851 33.567 9.396 1.00 50.07 C ATOM 56 C PHE A 4 27.063 33.664 10.880 1.00 50.51 C ATOM 57 O PHE A 4 26.079 33.412 11.592 1.00 49.49 O ATOM 58 CB PHE A 4 25.947 34.708 8.927 1.00 49.82 C ATOM 59 CG PHE A 4 25.722 34.733 7.443 1.00 50.00 C ATOM 60 CD1 PHE A 4 26.594 35.412 6.605 1.00 49.88 C ATOM 61 CD2 PHE A 4 24.637 34.077 6.879 1.00 49.88 C ATOM 62 CE1 PHE A 4 26.389 35.437 5.240 1.00 49.88 C ATOM 63 CE2 PHE A 4 24.429 34.099 5.513 1.00 49.88 C ATOM 64 CZ PHE A 4 25.305 34.779 4.694 1.00 49.88 C ATOM 0 H PHE A 4 25.458 31.907 9.459 1.00 49.53 H new ATOM 0 HA PHE A 4 27.834 33.648 8.933 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.983 34.625 9.430 1.00 49.82 H new ATOM 0 HB3 PHE A 4 26.387 35.657 9.234 1.00 49.82 H new ATOM 0 HD1 PHE A 4 27.444 35.928 7.026 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.947 33.543 7.515 1.00 49.88 H new ATOM 0 HE1 PHE A 4 27.076 35.971 4.600 1.00 49.88 H new ATOM 0 HE2 PHE A 4 23.581 33.584 5.087 1.00 49.88 H new ATOM 0 HZ PHE A 4 25.143 34.797 3.626 1.00 49.88 H new ATOM 74 N VAL A 5 28.233 34.055 11.378 1.00 49.53 N ATOM 75 CA VAL A 5 28.438 34.245 12.799 1.00 50.07 C ATOM 76 C VAL A 5 28.580 35.738 13.185 1.00 50.51 C ATOM 77 O VAL A 5 29.618 36.259 12.760 1.00 49.49 O ATOM 78 CB VAL A 5 29.684 33.484 13.291 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.973 33.820 14.746 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.495 31.984 13.119 1.00 49.73 C ATOM 0 H VAL A 5 29.056 34.246 10.807 1.00 49.53 H new ATOM 0 HA VAL A 5 27.547 33.847 13.284 1.00 50.07 H new ATOM 0 HB VAL A 5 30.538 33.795 12.689 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.856 33.274 15.077 1.00 49.73 H new ATOM 0 HG12 VAL A 5 30.151 34.891 14.844 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.119 33.536 15.361 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.385 31.462 13.472 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.630 31.658 13.697 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.334 31.756 12.065 1.00 49.73 H new ATOM 90 N LYS A 6 27.613 36.268 13.849 1.00 49.53 N ATOM 91 CA LYS A 6 27.655 37.724 14.224 1.00 50.07 C ATOM 92 C LYS A 6 28.393 37.800 15.533 1.00 50.51 C ATOM 93 O LYS A 6 28.110 37.009 16.463 1.00 49.49 O ATOM 94 CB LYS A 6 26.247 38.305 14.353 1.00 49.82 C ATOM 95 CG LYS A 6 26.207 39.796 14.661 1.00 49.82 C ATOM 96 CD LYS A 6 24.797 40.252 15.005 1.00 49.82 C ATOM 97 CE LYS A 6 24.757 41.741 15.316 1.00 50.21 C ATOM 98 NZ LYS A 6 23.380 42.205 15.637 1.00 49.70 N ATOM 0 H LYS A 6 26.781 35.767 14.159 1.00 49.53 H new ATOM 0 HA LYS A 6 28.156 38.311 13.454 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.706 38.124 13.424 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.717 37.769 15.141 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.876 40.016 15.493 1.00 49.82 H new ATOM 0 HG3 LYS A 6 26.573 40.357 13.801 1.00 49.82 H new ATOM 0 HD2 LYS A 6 24.129 40.034 14.172 1.00 49.82 H new ATOM 0 HD3 LYS A 6 24.430 39.689 15.863 1.00 49.82 H new ATOM 0 HE2 LYS A 6 25.417 41.954 16.157 1.00 50.21 H new ATOM 0 HE3 LYS A 6 25.139 42.300 14.462 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 23.396 43.224 15.843 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 22.755 42.026 14.825 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 23.025 41.690 16.468 1.00 49.70 H new ATOM 112 N THR A 7 29.344 38.752 15.653 1.00 49.53 N ATOM 113 CA THR A 7 30.104 38.886 16.905 1.00 50.07 C ATOM 114 C THR A 7 29.611 40.004 17.827 1.00 50.51 C ATOM 115 O THR A 7 28.562 40.578 17.526 1.00 49.49 O ATOM 116 CB THR A 7 31.600 39.110 16.621 1.00 50.14 C ATOM 117 OG1 THR A 7 31.775 40.342 15.911 1.00 49.34 O ATOM 118 CG2 THR A 7 32.163 37.966 15.792 1.00 49.73 C ATOM 0 H THR A 7 29.595 39.417 14.921 1.00 49.53 H new ATOM 0 HA THR A 7 29.944 37.942 17.426 1.00 50.07 H new ATOM 0 HB THR A 7 32.132 39.152 17.571 1.00 50.14 H new ATOM 0 HG1 THR A 7 31.357 40.273 15.027 1.00 49.34 H new ATOM 0 HG21 THR A 7 33.222 38.142 15.601 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.043 37.029 16.336 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.628 37.906 14.844 1.00 49.73 H new ATOM 126 N LEU A 8 30.369 40.340 18.847 1.00 49.53 N ATOM 127 CA LEU A 8 29.941 41.383 19.807 1.00 50.07 C ATOM 128 C LEU A 8 30.405 42.763 19.389 1.00 50.51 C ATOM 129 O LEU A 8 30.584 43.640 20.255 1.00 49.49 O ATOM 130 CB LEU A 8 30.459 41.051 21.212 1.00 49.82 C ATOM 131 CG LEU A 8 30.079 39.662 21.738 1.00 49.91 C ATOM 132 CD1 LEU A 8 30.899 39.329 22.977 1.00 49.73 C ATOM 133 CD2 LEU A 8 28.590 39.627 22.052 1.00 49.73 C ATOM 0 H LEU A 8 31.278 39.923 19.048 1.00 49.53 H new ATOM 0 HA LEU A 8 28.851 41.394 19.817 1.00 50.07 H new ATOM 0 HB2 LEU A 8 31.546 41.136 21.210 1.00 49.82 H new ATOM 0 HB3 LEU A 8 30.081 41.801 21.907 1.00 49.82 H new ATOM 0 HG LEU A 8 30.295 38.914 20.975 1.00 49.91 H new ATOM 0 HD11 LEU A 8 30.621 38.340 23.342 1.00 49.73 H new ATOM 0 HD12 LEU A 8 31.959 39.338 22.725 1.00 49.73 H new ATOM 0 HD13 LEU A 8 30.704 40.070 23.752 1.00 49.73 H new ATOM 0 HD21 LEU A 8 28.320 38.639 22.426 1.00 49.73 H new ATOM 0 HD22 LEU A 8 28.360 40.377 22.809 1.00 49.73 H new ATOM 0 HD23 LEU A 8 28.022 39.840 21.146 1.00 49.73 H new ATOM 145 N THR A 9 30.655 42.970 18.082 1.00 49.53 N ATOM 146 CA THR A 9 31.112 44.354 17.716 1.00 50.07 C ATOM 147 C THR A 9 30.471 44.789 16.435 1.00 50.51 C ATOM 148 O THR A 9 30.964 45.688 15.727 1.00 49.49 O ATOM 149 CB THR A 9 32.643 44.426 17.569 1.00 50.14 C ATOM 150 OG1 THR A 9 33.073 43.503 16.560 1.00 49.34 O ATOM 151 CG2 THR A 9 33.323 44.085 18.886 1.00 49.73 C ATOM 0 H THR A 9 30.567 42.292 17.325 1.00 49.53 H new ATOM 0 HA THR A 9 30.813 45.021 18.525 1.00 50.07 H new ATOM 0 HB THR A 9 32.917 45.441 17.283 1.00 50.14 H new ATOM 0 HG1 THR A 9 34.047 43.551 16.466 1.00 49.34 H new ATOM 0 HG21 THR A 9 34.405 44.141 18.762 1.00 49.73 H new ATOM 0 HG22 THR A 9 33.008 44.793 19.652 1.00 49.73 H new ATOM 0 HG23 THR A 9 33.044 43.076 19.189 1.00 49.73 H new ATOM 159 N GLY A 10 29.502 44.068 15.962 1.00 49.53 N ATOM 160 CA GLY A 10 28.792 44.372 14.740 1.00 49.98 C ATOM 161 C GLY A 10 29.482 43.926 13.486 1.00 50.51 C ATOM 162 O GLY A 10 29.105 44.350 12.371 1.00 49.49 O ATOM 0 H GLY A 10 29.166 43.223 16.424 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.808 43.906 14.782 1.00 49.98 H new ATOM 0 HA3 GLY A 10 28.632 45.449 14.687 1.00 49.98 H new ATOM 166 N LYS A 11 30.490 43.105 13.638 1.00 49.53 N ATOM 167 CA LYS A 11 31.189 42.505 12.510 1.00 50.07 C ATOM 168 C LYS A 11 30.471 41.162 12.245 1.00 50.51 C ATOM 169 O LYS A 11 30.177 40.487 13.226 1.00 49.49 O ATOM 170 CB LYS A 11 32.669 42.286 12.825 1.00 49.82 C ATOM 171 CG LYS A 11 33.483 41.731 11.664 1.00 49.82 C ATOM 172 CD LYS A 11 34.977 41.838 11.934 1.00 49.82 C ATOM 173 CE LYS A 11 35.791 41.281 10.776 1.00 50.21 C ATOM 174 NZ LYS A 11 37.255 41.376 11.028 1.00 49.70 N ATOM 0 H LYS A 11 30.857 42.827 14.548 1.00 49.53 H new ATOM 0 HA LYS A 11 31.164 43.154 11.635 1.00 50.07 H new ATOM 0 HB2 LYS A 11 33.106 43.234 13.139 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.751 41.602 13.670 1.00 49.82 H new ATOM 0 HG2 LYS A 11 33.216 40.688 11.496 1.00 49.82 H new ATOM 0 HG3 LYS A 11 33.236 42.274 10.752 1.00 49.82 H new ATOM 0 HD2 LYS A 11 35.245 42.882 12.100 1.00 49.82 H new ATOM 0 HD3 LYS A 11 35.223 41.297 12.847 1.00 49.82 H new ATOM 0 HE2 LYS A 11 35.519 40.239 10.609 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.544 41.825 9.864 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 37.751 41.553 10.131 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 37.444 42.158 11.688 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 37.595 40.484 11.442 1.00 49.70 H new ATOM 188 N THR A 12 30.281 40.836 10.980 1.00 49.53 N ATOM 189 CA THR A 12 29.677 39.521 10.692 1.00 50.07 C ATOM 190 C THR A 12 30.587 38.648 9.830 1.00 50.51 C ATOM 191 O THR A 12 30.960 39.137 8.760 1.00 49.49 O ATOM 192 CB THR A 12 28.316 39.670 9.989 1.00 50.14 C ATOM 193 OG1 THR A 12 27.457 40.504 10.778 1.00 49.34 O ATOM 194 CG2 THR A 12 27.661 38.310 9.802 1.00 49.73 C ATOM 0 H THR A 12 30.514 41.412 10.171 1.00 49.53 H new ATOM 0 HA THR A 12 29.536 39.034 11.657 1.00 50.07 H new ATOM 0 HB THR A 12 28.477 40.123 9.011 1.00 50.14 H new ATOM 0 HG1 THR A 12 26.591 40.600 10.329 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.700 38.435 9.303 1.00 49.73 H new ATOM 0 HG22 THR A 12 28.306 37.676 9.193 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.507 37.843 10.775 1.00 49.73 H new ATOM 202 N ILE A 13 30.972 37.491 10.368 1.00 49.53 N ATOM 203 CA ILE A 13 31.855 36.651 9.506 1.00 50.07 C ATOM 204 C ILE A 13 31.172 35.596 8.680 1.00 50.51 C ATOM 205 O ILE A 13 30.128 35.059 9.099 1.00 49.49 O ATOM 206 CB ILE A 13 32.947 35.968 10.348 1.00 49.91 C ATOM 207 CG1 ILE A 13 32.321 35.216 11.525 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.955 36.993 10.844 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.237 34.190 12.152 1.00 49.73 C ATOM 0 H ILE A 13 30.730 37.127 11.290 1.00 49.53 H new ATOM 0 HA ILE A 13 32.269 37.368 8.797 1.00 50.07 H new ATOM 0 HB ILE A 13 33.471 35.248 9.719 1.00 49.91 H new ATOM 0 HG12 ILE A 13 32.023 35.936 12.287 1.00 49.82 H new ATOM 0 HG13 ILE A 13 31.413 34.718 11.184 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.720 36.493 11.438 1.00 49.73 H new ATOM 0 HG22 ILE A 13 34.422 37.486 9.991 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.446 37.735 11.459 1.00 49.73 H new ATOM 0 HD11 ILE A 13 32.722 33.700 12.978 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.515 33.446 11.405 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.135 34.683 12.525 1.00 49.73 H new ATOM 221 N THR A 14 31.653 35.342 7.483 1.00 49.53 N ATOM 222 CA THR A 14 30.991 34.262 6.694 1.00 50.07 C ATOM 223 C THR A 14 31.715 32.941 6.710 1.00 50.51 C ATOM 224 O THR A 14 32.920 32.874 6.348 1.00 49.49 O ATOM 225 CB THR A 14 30.794 34.692 5.229 1.00 50.14 C ATOM 226 OG1 THR A 14 29.834 35.755 5.165 1.00 49.34 O ATOM 227 CG2 THR A 14 30.304 33.521 4.391 1.00 49.73 C ATOM 0 H THR A 14 32.440 35.814 7.037 1.00 49.53 H new ATOM 0 HA THR A 14 30.033 34.110 7.190 1.00 50.07 H new ATOM 0 HB THR A 14 31.751 35.033 4.834 1.00 50.14 H new ATOM 0 HG1 THR A 14 28.933 35.389 5.285 1.00 49.34 H new ATOM 0 HG21 THR A 14 30.170 33.843 3.358 1.00 49.73 H new ATOM 0 HG22 THR A 14 31.037 32.715 4.428 1.00 49.73 H new ATOM 0 HG23 THR A 14 29.353 33.164 4.786 1.00 49.73 H new ATOM 235 N LEU A 15 31.033 31.852 7.024 1.00 49.53 N ATOM 236 CA LEU A 15 31.649 30.543 7.079 1.00 50.07 C ATOM 237 C LEU A 15 31.176 29.517 6.043 1.00 50.51 C ATOM 238 O LEU A 15 29.976 29.530 5.799 1.00 49.49 O ATOM 239 CB LEU A 15 31.473 29.958 8.487 1.00 49.82 C ATOM 240 CG LEU A 15 32.662 30.166 9.432 1.00 49.91 C ATOM 241 CD1 LEU A 15 32.508 31.480 10.185 1.00 49.73 C ATOM 242 CD2 LEU A 15 32.752 28.997 10.402 1.00 49.73 C ATOM 0 H LEU A 15 30.038 31.854 7.247 1.00 49.53 H new ATOM 0 HA LEU A 15 32.694 30.723 6.828 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.587 30.403 8.940 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.283 28.888 8.398 1.00 49.82 H new ATOM 0 HG LEU A 15 33.583 30.212 8.851 1.00 49.91 H new ATOM 0 HD11 LEU A 15 33.358 31.618 10.853 1.00 49.73 H new ATOM 0 HD12 LEU A 15 32.468 32.305 9.473 1.00 49.73 H new ATOM 0 HD13 LEU A 15 31.587 31.459 10.768 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.598 29.146 11.073 1.00 49.73 H new ATOM 0 HD22 LEU A 15 31.833 28.936 10.984 1.00 49.73 H new ATOM 0 HD23 LEU A 15 32.890 28.071 9.844 1.00 49.73 H new ATOM 254 N GLU A 16 32.099 28.692 5.609 1.00 49.53 N ATOM 255 CA GLU A 16 31.657 27.584 4.702 1.00 50.07 C ATOM 256 C GLU A 16 31.727 26.184 5.270 1.00 50.51 C ATOM 257 O GLU A 16 32.788 25.567 5.213 1.00 49.49 O ATOM 258 CB GLU A 16 32.459 27.635 3.398 1.00 49.82 C ATOM 259 CG GLU A 16 32.332 28.945 2.634 1.00 49.72 C ATOM 260 CD GLU A 16 33.301 29.003 1.485 1.00 50.62 C ATOM 261 OE1 GLU A 16 34.028 28.057 1.299 1.00 49.24 O ATOM 262 OE2 GLU A 16 33.239 29.943 0.729 1.00 49.24 O ATOM 0 H GLU A 16 33.094 28.731 5.829 1.00 49.53 H new ATOM 0 HA GLU A 16 30.595 27.772 4.543 1.00 50.07 H new ATOM 0 HB2 GLU A 16 33.511 27.461 3.625 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.133 26.819 2.753 1.00 49.82 H new ATOM 0 HG2 GLU A 16 31.314 29.053 2.260 1.00 49.72 H new ATOM 0 HG3 GLU A 16 32.514 29.781 3.309 1.00 49.72 H new ATOM 269 N VAL A 17 30.612 25.823 5.890 1.00 49.53 N ATOM 270 CA VAL A 17 30.479 24.530 6.551 1.00 50.07 C ATOM 271 C VAL A 17 29.381 23.550 6.112 1.00 50.51 C ATOM 272 O VAL A 17 28.177 23.892 6.055 1.00 49.49 O ATOM 273 CB VAL A 17 30.335 24.727 8.072 1.00 49.91 C ATOM 274 CG1 VAL A 17 31.576 25.401 8.640 1.00 49.73 C ATOM 275 CG2 VAL A 17 29.094 25.547 8.388 1.00 49.73 C ATOM 0 H VAL A 17 29.781 26.411 5.950 1.00 49.53 H new ATOM 0 HA VAL A 17 31.402 24.046 6.232 1.00 50.07 H new ATOM 0 HB VAL A 17 30.229 23.747 8.538 1.00 49.91 H new ATOM 0 HG11 VAL A 17 31.458 25.533 9.716 1.00 49.73 H new ATOM 0 HG12 VAL A 17 32.450 24.779 8.444 1.00 49.73 H new ATOM 0 HG13 VAL A 17 31.710 26.374 8.168 1.00 49.73 H new ATOM 0 HG21 VAL A 17 29.008 25.676 9.467 1.00 49.73 H new ATOM 0 HG22 VAL A 17 29.172 26.524 7.911 1.00 49.73 H new ATOM 0 HG23 VAL A 17 28.211 25.030 8.013 1.00 49.73 H new ATOM 285 N GLU A 18 29.748 22.296 6.256 1.00 49.53 N ATOM 286 CA GLU A 18 28.856 21.159 6.022 1.00 50.07 C ATOM 287 C GLU A 18 28.281 20.638 7.331 1.00 50.51 C ATOM 288 O GLU A 18 28.887 20.761 8.384 1.00 49.49 O ATOM 289 CB GLU A 18 29.597 20.038 5.289 1.00 49.82 C ATOM 290 CG GLU A 18 30.047 20.400 3.880 1.00 49.72 C ATOM 291 CD GLU A 18 30.943 19.339 3.305 1.00 50.62 C ATOM 292 OE1 GLU A 18 31.218 18.383 3.991 1.00 49.24 O ATOM 293 OE2 GLU A 18 31.264 19.426 2.144 1.00 49.24 O ATOM 0 H GLU A 18 30.688 22.023 6.543 1.00 49.53 H new ATOM 0 HA GLU A 18 28.031 21.503 5.398 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.471 19.753 5.875 1.00 49.82 H new ATOM 0 HB3 GLU A 18 28.949 19.163 5.237 1.00 49.82 H new ATOM 0 HG2 GLU A 18 29.175 20.529 3.239 1.00 49.72 H new ATOM 0 HG3 GLU A 18 30.574 21.354 3.898 1.00 49.72 H new ATOM 300 N PRO A 19 27.095 20.061 7.275 1.00 49.71 N ATOM 301 CA PRO A 19 26.449 19.473 8.449 1.00 50.02 C ATOM 302 C PRO A 19 27.330 18.453 9.126 1.00 50.51 C ATOM 303 O PRO A 19 27.168 18.142 10.315 1.00 49.49 O ATOM 304 CB PRO A 19 25.176 18.815 7.874 1.00 49.82 C ATOM 305 CG PRO A 19 24.870 19.667 6.685 1.00 49.82 C ATOM 306 CD PRO A 19 26.265 19.905 6.054 1.00 50.00 C ATOM 0 HA PRO A 19 26.236 20.215 9.218 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.349 17.776 7.593 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.358 18.818 8.595 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.195 19.165 5.992 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.393 20.604 6.973 1.00 49.82 H new ATOM 0 HD2 PRO A 19 26.589 19.066 5.438 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.287 20.793 5.422 1.00 50.00 H new ATOM 314 N SER A 20 28.252 17.867 8.381 1.00 49.53 N ATOM 315 CA SER A 20 29.117 16.821 8.950 1.00 50.07 C ATOM 316 C SER A 20 30.084 17.546 9.856 1.00 50.51 C ATOM 317 O SER A 20 30.856 16.866 10.554 1.00 49.49 O ATOM 318 CB SER A 20 29.845 16.063 7.857 1.00 50.05 C ATOM 319 OG SER A 20 30.909 16.800 7.322 1.00 49.34 O ATOM 0 H SER A 20 28.427 18.084 7.400 1.00 49.53 H new ATOM 0 HA SER A 20 28.542 16.075 9.498 1.00 50.07 H new ATOM 0 HB2 SER A 20 30.222 15.122 8.259 1.00 50.05 H new ATOM 0 HB3 SER A 20 29.143 15.812 7.062 1.00 50.05 H new ATOM 0 HG SER A 20 31.352 16.275 6.623 1.00 49.34 H new ATOM 325 N ASP A 21 30.138 18.876 9.737 1.00 49.53 N ATOM 326 CA ASP A 21 31.102 19.601 10.608 1.00 50.07 C ATOM 327 C ASP A 21 30.769 19.600 12.077 1.00 50.51 C ATOM 328 O ASP A 21 29.616 19.863 12.470 1.00 49.49 O ATOM 329 CB ASP A 21 31.253 21.045 10.125 1.00 49.72 C ATOM 330 CG ASP A 21 32.016 21.195 8.816 1.00 50.62 C ATOM 331 OD1 ASP A 21 32.916 20.422 8.585 1.00 49.24 O ATOM 332 OD2 ASP A 21 31.597 21.972 7.992 1.00 49.24 O ATOM 0 H ASP A 21 29.579 19.447 9.103 1.00 49.53 H new ATOM 0 HA ASP A 21 32.037 19.048 10.518 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.261 21.480 10.005 1.00 49.72 H new ATOM 0 HB3 ASP A 21 31.763 21.622 10.897 1.00 49.72 H new ATOM 337 N THR A 22 31.788 19.416 12.899 1.00 49.53 N ATOM 338 CA THR A 22 31.646 19.480 14.334 1.00 50.07 C ATOM 339 C THR A 22 32.268 20.794 14.861 1.00 50.51 C ATOM 340 O THR A 22 32.885 21.532 14.087 1.00 49.49 O ATOM 341 CB THR A 22 32.320 18.283 15.028 1.00 50.14 C ATOM 342 OG1 THR A 22 33.743 18.389 14.896 1.00 49.34 O ATOM 343 CG2 THR A 22 31.852 16.975 14.409 1.00 49.73 C ATOM 0 H THR A 22 32.738 19.218 12.584 1.00 49.53 H new ATOM 0 HA THR A 22 30.581 19.449 14.564 1.00 50.07 H new ATOM 0 HB THR A 22 32.045 18.292 16.083 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.170 17.627 15.340 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.339 16.140 14.912 1.00 49.73 H new ATOM 0 HG22 THR A 22 30.771 16.886 14.520 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.110 16.961 13.350 1.00 49.73 H new ATOM 351 N ILE A 23 32.066 20.984 16.166 1.00 49.53 N ATOM 352 CA ILE A 23 32.658 22.126 16.858 1.00 50.07 C ATOM 353 C ILE A 23 34.161 22.237 16.593 1.00 50.51 C ATOM 354 O ILE A 23 34.705 23.317 16.306 1.00 49.49 O ATOM 355 CB ILE A 23 32.421 22.046 18.377 1.00 49.91 C ATOM 356 CG1 ILE A 23 30.945 22.288 18.701 1.00 49.82 C ATOM 357 CG2 ILE A 23 33.301 23.052 19.106 1.00 49.73 C ATOM 358 CD1 ILE A 23 30.379 23.541 18.072 1.00 49.73 C ATOM 0 H ILE A 23 31.505 20.370 16.757 1.00 49.53 H new ATOM 0 HA ILE A 23 32.165 23.014 16.462 1.00 50.07 H new ATOM 0 HB ILE A 23 32.688 21.046 18.717 1.00 49.91 H new ATOM 0 HG12 ILE A 23 30.364 21.430 18.365 1.00 49.82 H new ATOM 0 HG13 ILE A 23 30.826 22.350 19.783 1.00 49.82 H new ATOM 0 HG21 ILE A 23 33.121 22.982 20.179 1.00 49.73 H new ATOM 0 HG22 ILE A 23 34.349 22.836 18.899 1.00 49.73 H new ATOM 0 HG23 ILE A 23 33.064 24.059 18.763 1.00 49.73 H new ATOM 0 HD11 ILE A 23 29.329 23.644 18.347 1.00 49.73 H new ATOM 0 HD12 ILE A 23 30.934 24.409 18.427 1.00 49.73 H new ATOM 0 HD13 ILE A 23 30.465 23.474 16.987 1.00 49.73 H new ATOM 370 N GLU A 24 34.855 21.128 16.705 1.00 49.53 N ATOM 371 CA GLU A 24 36.325 21.121 16.398 1.00 50.07 C ATOM 372 C GLU A 24 36.540 21.731 15.035 1.00 50.51 C ATOM 373 O GLU A 24 37.543 22.443 14.792 1.00 49.49 O ATOM 374 CB GLU A 24 36.885 19.698 16.445 1.00 49.82 C ATOM 375 CG GLU A 24 36.728 19.003 17.790 1.00 49.72 C ATOM 376 CD GLU A 24 37.665 19.578 18.814 1.00 50.62 C ATOM 377 OE1 GLU A 24 38.839 19.658 18.540 1.00 49.24 O ATOM 378 OE2 GLU A 24 37.195 20.042 19.827 1.00 49.24 O ATOM 0 H GLU A 24 34.470 20.229 16.995 1.00 49.53 H new ATOM 0 HA GLU A 24 36.854 21.707 17.150 1.00 50.07 H new ATOM 0 HB2 GLU A 24 36.388 19.100 15.681 1.00 49.82 H new ATOM 0 HB3 GLU A 24 37.944 19.729 16.187 1.00 49.82 H new ATOM 0 HG2 GLU A 24 35.700 19.105 18.137 1.00 49.72 H new ATOM 0 HG3 GLU A 24 36.921 17.936 17.675 1.00 49.72 H new ATOM 385 N ASN A 25 35.640 21.443 14.109 1.00 49.53 N ATOM 386 CA ASN A 25 35.687 21.937 12.727 1.00 50.07 C ATOM 387 C ASN A 25 35.222 23.356 12.402 1.00 50.51 C ATOM 388 O ASN A 25 35.850 24.063 11.589 1.00 49.49 O ATOM 389 CB ASN A 25 34.954 20.974 11.810 1.00 49.82 C ATOM 390 CG ASN A 25 35.718 19.711 11.524 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.943 19.652 11.684 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.015 18.726 11.025 1.00 49.38 N ATOM 0 H ASN A 25 34.834 20.846 14.294 1.00 49.53 H new ATOM 0 HA ASN A 25 36.763 21.992 12.563 1.00 50.07 H new ATOM 0 HB2 ASN A 25 33.996 20.714 12.261 1.00 49.82 H new ATOM 0 HB3 ASN A 25 34.736 21.478 10.868 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.476 17.859 10.748 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.006 18.825 10.913 1.00 49.38 H new ATOM 399 N VAL A 26 34.120 23.724 13.039 1.00 49.53 N ATOM 400 CA VAL A 26 33.569 25.063 12.857 1.00 50.07 C ATOM 401 C VAL A 26 34.368 26.173 13.530 1.00 50.51 C ATOM 402 O VAL A 26 34.640 27.219 12.933 1.00 49.49 O ATOM 403 CB VAL A 26 32.115 25.133 13.361 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.661 26.581 13.476 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.191 24.359 12.433 1.00 49.73 C ATOM 0 H VAL A 26 33.595 23.126 13.677 1.00 49.53 H new ATOM 0 HA VAL A 26 33.620 25.236 11.782 1.00 50.07 H new ATOM 0 HB VAL A 26 32.071 24.677 14.350 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.632 26.612 13.833 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.305 27.110 14.179 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.720 27.060 12.499 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.168 24.419 12.805 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.239 24.787 11.432 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.503 23.315 12.397 1.00 49.73 H new ATOM 415 N LYS A 27 34.775 25.922 14.769 1.00 49.53 N ATOM 416 CA LYS A 27 35.549 26.918 15.525 1.00 50.07 C ATOM 417 C LYS A 27 36.918 27.034 14.874 1.00 50.51 C ATOM 418 O LYS A 27 37.545 28.118 14.969 1.00 49.49 O ATOM 419 CB LYS A 27 35.681 26.511 16.993 1.00 49.82 C ATOM 420 CG LYS A 27 34.286 26.710 17.687 1.00 49.82 C ATOM 421 CD LYS A 27 34.456 26.452 19.173 1.00 49.82 C ATOM 422 CE LYS A 27 33.129 26.650 19.905 1.00 50.21 C ATOM 423 NZ LYS A 27 33.384 26.361 21.355 1.00 49.70 N ATOM 0 H LYS A 27 34.589 25.054 15.271 1.00 49.53 H new ATOM 0 HA LYS A 27 35.038 27.881 15.505 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.999 25.472 17.072 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.441 27.116 17.488 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.917 27.721 17.516 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.550 26.027 17.264 1.00 49.82 H new ATOM 0 HD2 LYS A 27 34.818 25.437 19.333 1.00 49.82 H new ATOM 0 HD3 LYS A 27 35.208 27.127 19.582 1.00 49.82 H new ATOM 0 HE2 LYS A 27 32.763 27.668 19.773 1.00 50.21 H new ATOM 0 HE3 LYS A 27 32.365 25.982 19.507 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 32.503 26.484 21.894 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 33.720 25.382 21.460 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 34.106 27.016 21.718 1.00 49.70 H new ATOM 437 N ALA A 28 37.410 25.970 14.274 1.00 49.53 N ATOM 438 CA ALA A 28 38.692 25.998 13.560 1.00 50.07 C ATOM 439 C ALA A 28 38.587 26.995 12.419 1.00 50.51 C ATOM 440 O ALA A 28 39.476 27.900 12.264 1.00 49.49 O ATOM 441 CB ALA A 28 39.057 24.596 13.037 1.00 49.73 C ATOM 0 H ALA A 28 36.945 25.062 14.261 1.00 49.53 H new ATOM 0 HA ALA A 28 39.486 26.305 14.240 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.011 24.641 12.511 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.137 23.904 13.876 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.282 24.249 12.354 1.00 49.73 H new ATOM 447 N LYS A 29 37.546 26.931 11.602 1.00 49.53 N ATOM 448 CA LYS A 29 37.340 27.924 10.527 1.00 50.07 C ATOM 449 C LYS A 29 37.588 29.338 11.085 1.00 50.51 C ATOM 450 O LYS A 29 38.433 30.127 10.597 1.00 49.49 O ATOM 451 CB LYS A 29 35.927 27.816 9.952 1.00 49.82 C ATOM 452 CG LYS A 29 35.652 26.518 9.203 1.00 49.82 C ATOM 453 CD LYS A 29 36.423 26.462 7.893 1.00 49.82 C ATOM 454 CE LYS A 29 36.124 25.180 7.129 1.00 50.21 C ATOM 455 NZ LYS A 29 36.688 23.982 7.808 1.00 49.70 N ATOM 0 H LYS A 29 36.827 26.210 11.652 1.00 49.53 H new ATOM 0 HA LYS A 29 38.045 27.725 9.720 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.208 27.912 10.766 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.757 28.654 9.277 1.00 49.82 H new ATOM 0 HG2 LYS A 29 35.930 25.669 9.828 1.00 49.82 H new ATOM 0 HG3 LYS A 29 34.584 26.430 9.003 1.00 49.82 H new ATOM 0 HD2 LYS A 29 36.162 27.323 7.278 1.00 49.82 H new ATOM 0 HD3 LYS A 29 37.492 26.526 8.095 1.00 49.82 H new ATOM 0 HE2 LYS A 29 35.045 25.063 7.025 1.00 50.21 H new ATOM 0 HE3 LYS A 29 36.535 25.254 6.122 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 36.566 23.148 7.199 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 37.701 24.132 7.992 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 36.192 23.828 8.709 1.00 49.70 H new ATOM 469 N ILE A 30 36.888 29.656 12.175 1.00 49.53 N ATOM 470 CA ILE A 30 37.059 30.989 12.784 1.00 50.07 C ATOM 471 C ILE A 30 38.483 31.357 13.221 1.00 50.51 C ATOM 472 O ILE A 30 38.797 32.562 13.359 1.00 49.49 O ATOM 473 CB ILE A 30 36.127 31.154 14.000 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.662 31.067 13.564 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.399 32.475 14.702 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.680 31.110 14.712 1.00 49.73 C ATOM 0 H ILE A 30 36.222 29.042 12.644 1.00 49.53 H new ATOM 0 HA ILE A 30 36.805 31.672 11.973 1.00 50.07 H new ATOM 0 HB ILE A 30 36.326 30.345 14.703 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.446 31.890 12.882 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.513 30.143 13.005 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.732 32.576 15.558 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.434 32.500 15.043 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.226 33.298 14.009 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.664 31.044 14.324 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.868 30.272 15.383 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.799 32.046 15.258 1.00 49.73 H new ATOM 488 N GLN A 31 39.317 30.390 13.509 1.00 49.53 N ATOM 489 CA GLN A 31 40.710 30.751 13.922 1.00 50.07 C ATOM 490 C GLN A 31 41.567 31.191 12.723 1.00 50.51 C ATOM 491 O GLN A 31 42.633 31.845 12.790 1.00 49.49 O ATOM 492 CB GLN A 31 41.381 29.569 14.628 1.00 49.82 C ATOM 493 CG GLN A 31 42.697 29.913 15.302 1.00 49.82 C ATOM 494 CD GLN A 31 43.315 28.719 16.006 1.00 50.55 C ATOM 495 OE1 GLN A 31 42.800 27.600 15.929 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.424 28.951 16.700 1.00 49.38 N ATOM 0 H GLN A 31 39.104 29.393 13.478 1.00 49.53 H new ATOM 0 HA GLN A 31 40.635 31.593 14.610 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.696 29.170 15.376 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.555 28.776 13.900 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.395 30.294 14.557 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.534 30.713 16.024 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.815 29.892 16.736 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.884 28.188 17.196 1.00 49.38 H new ATOM 505 N ASP A 32 41.094 30.794 11.566 1.00 49.53 N ATOM 506 CA ASP A 32 41.790 31.149 10.308 1.00 50.07 C ATOM 507 C ASP A 32 41.281 32.424 9.669 1.00 50.51 C ATOM 508 O ASP A 32 42.036 33.305 9.199 1.00 49.49 O ATOM 509 CB ASP A 32 41.690 29.997 9.307 1.00 49.72 C ATOM 510 CG ASP A 32 42.652 28.847 9.573 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.838 29.069 9.533 1.00 49.24 O ATOM 512 OD2 ASP A 32 42.198 27.799 9.965 1.00 49.24 O ATOM 0 H ASP A 32 40.249 30.235 11.448 1.00 49.53 H new ATOM 0 HA ASP A 32 42.830 31.329 10.579 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.671 29.611 9.316 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.875 30.385 8.305 1.00 49.72 H new ATOM 517 N LYS A 33 39.947 32.586 9.591 1.00 49.53 N ATOM 518 CA LYS A 33 39.467 33.796 8.872 1.00 50.07 C ATOM 519 C LYS A 33 39.596 34.953 9.799 1.00 50.51 C ATOM 520 O LYS A 33 40.220 35.978 9.356 1.00 49.49 O ATOM 521 CB LYS A 33 38.016 33.625 8.418 1.00 49.82 C ATOM 522 CG LYS A 33 37.859 33.008 7.034 1.00 49.82 C ATOM 523 CD LYS A 33 38.105 31.507 7.066 1.00 49.82 C ATOM 524 CE LYS A 33 37.850 30.875 5.707 1.00 50.21 C ATOM 525 NZ LYS A 33 38.165 29.420 5.702 1.00 49.70 N ATOM 0 H LYS A 33 39.235 31.964 9.974 1.00 49.53 H new ATOM 0 HA LYS A 33 40.064 33.960 7.975 1.00 50.07 H new ATOM 0 HB2 LYS A 33 37.492 33.001 9.142 1.00 49.82 H new ATOM 0 HB3 LYS A 33 37.528 34.600 8.426 1.00 49.82 H new ATOM 0 HG2 LYS A 33 36.856 33.206 6.657 1.00 49.82 H new ATOM 0 HG3 LYS A 33 38.558 33.478 6.342 1.00 49.82 H new ATOM 0 HD2 LYS A 33 39.132 31.311 7.373 1.00 49.82 H new ATOM 0 HD3 LYS A 33 37.456 31.046 7.811 1.00 49.82 H new ATOM 0 HE2 LYS A 33 36.806 31.021 5.429 1.00 50.21 H new ATOM 0 HE3 LYS A 33 38.454 31.380 4.953 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 37.978 29.027 4.757 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 39.167 29.281 5.942 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 37.570 28.934 6.403 1.00 49.70 H new ATOM 539 N GLU A 34 39.123 34.949 11.013 1.00 49.53 N ATOM 540 CA GLU A 34 39.224 36.043 11.952 1.00 50.07 C ATOM 541 C GLU A 34 40.458 35.903 12.807 1.00 50.51 C ATOM 542 O GLU A 34 41.235 36.857 12.917 1.00 49.49 O ATOM 543 CB GLU A 34 37.976 36.110 12.835 1.00 49.82 C ATOM 544 CG GLU A 34 38.009 37.210 13.887 1.00 49.72 C ATOM 545 CD GLU A 34 37.818 38.566 13.267 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.417 38.627 12.130 1.00 49.24 O ATOM 547 OE2 GLU A 34 37.966 39.542 13.965 1.00 49.24 O ATOM 0 H GLU A 34 38.630 34.144 11.399 1.00 49.53 H new ATOM 0 HA GLU A 34 39.301 36.970 11.384 1.00 50.07 H new ATOM 0 HB2 GLU A 34 37.103 36.258 12.199 1.00 49.82 H new ATOM 0 HB3 GLU A 34 37.847 35.150 13.335 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.228 37.033 14.626 1.00 49.72 H new ATOM 0 HG3 GLU A 34 38.961 37.181 14.417 1.00 49.72 H new ATOM 554 N GLY A 35 40.604 34.784 13.497 1.00 49.53 N ATOM 555 CA GLY A 35 41.772 34.502 14.289 1.00 49.98 C ATOM 556 C GLY A 35 41.429 34.300 15.712 1.00 50.51 C ATOM 557 O GLY A 35 42.337 34.057 16.551 1.00 49.49 O ATOM 0 H GLY A 35 39.903 34.043 13.518 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.267 33.611 13.904 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.481 35.325 14.198 1.00 49.98 H new ATOM 561 N ILE A 36 40.129 34.314 16.055 1.00 49.53 N ATOM 562 CA ILE A 36 39.765 34.108 17.464 1.00 50.07 C ATOM 563 C ILE A 36 40.057 32.669 17.855 1.00 50.51 C ATOM 564 O ILE A 36 39.526 31.725 17.244 1.00 49.49 O ATOM 565 CB ILE A 36 38.279 34.418 17.724 1.00 49.91 C ATOM 566 CG1 ILE A 36 37.916 35.795 17.163 1.00 49.82 C ATOM 567 CG2 ILE A 36 37.973 34.347 19.211 1.00 49.73 C ATOM 568 CD1 ILE A 36 38.708 36.931 17.771 1.00 49.73 C ATOM 0 H ILE A 36 39.350 34.458 15.413 1.00 49.53 H new ATOM 0 HA ILE A 36 40.360 34.794 18.067 1.00 50.07 H new ATOM 0 HB ILE A 36 37.674 33.668 17.214 1.00 49.91 H new ATOM 0 HG12 ILE A 36 38.074 35.791 16.085 1.00 49.82 H new ATOM 0 HG13 ILE A 36 36.854 35.976 17.328 1.00 49.82 H new ATOM 0 HG21 ILE A 36 36.919 34.569 19.377 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.196 33.346 19.581 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.585 35.075 19.744 1.00 49.73 H new ATOM 0 HD11 ILE A 36 38.394 37.874 17.323 1.00 49.73 H new ATOM 0 HD12 ILE A 36 38.531 36.963 18.846 1.00 49.73 H new ATOM 0 HD13 ILE A 36 39.770 36.776 17.583 1.00 49.73 H new ATOM 580 N PRO A 37 40.876 32.477 18.882 1.00 49.71 N ATOM 581 CA PRO A 37 41.224 31.141 19.398 1.00 50.02 C ATOM 582 C PRO A 37 39.976 30.374 19.797 1.00 50.51 C ATOM 583 O PRO A 37 39.100 30.973 20.474 1.00 49.49 O ATOM 584 CB PRO A 37 42.038 31.529 20.669 1.00 49.82 C ATOM 585 CG PRO A 37 42.685 32.826 20.287 1.00 49.82 C ATOM 586 CD PRO A 37 41.533 33.583 19.640 1.00 50.00 C ATOM 0 HA PRO A 37 41.748 30.505 18.685 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.392 31.644 21.540 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.779 30.769 20.919 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.083 33.353 21.154 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.515 32.679 19.596 1.00 49.82 H new ATOM 0 HD2 PRO A 37 40.868 34.034 20.376 1.00 50.00 H new ATOM 0 HD3 PRO A 37 41.878 34.385 18.988 1.00 50.00 H new ATOM 594 N PRO A 38 39.880 29.110 19.468 1.00 49.71 N ATOM 595 CA PRO A 38 38.681 28.332 19.821 1.00 50.02 C ATOM 596 C PRO A 38 38.388 28.321 21.298 1.00 50.51 C ATOM 597 O PRO A 38 37.209 28.269 21.744 1.00 49.49 O ATOM 598 CB PRO A 38 38.951 26.959 19.212 1.00 49.82 C ATOM 599 CG PRO A 38 39.854 27.283 18.023 1.00 49.82 C ATOM 600 CD PRO A 38 40.825 28.302 18.656 1.00 50.00 C ATOM 0 HA PRO A 38 37.763 28.768 19.427 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.441 26.292 19.921 1.00 49.82 H new ATOM 0 HB3 PRO A 38 38.030 26.469 18.898 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.371 26.401 17.646 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.298 27.708 17.187 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.590 27.822 19.266 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.344 28.900 17.907 1.00 50.00 H new ATOM 608 N ASP A 39 39.400 28.374 22.128 1.00 49.53 N ATOM 609 CA ASP A 39 39.194 28.312 23.601 1.00 50.07 C ATOM 610 C ASP A 39 38.622 29.536 24.304 1.00 50.51 C ATOM 611 O ASP A 39 38.369 29.557 25.539 1.00 49.49 O ATOM 612 CB ASP A 39 40.510 27.927 24.281 1.00 49.72 C ATOM 613 CG ASP A 39 41.693 28.809 23.905 1.00 50.62 C ATOM 614 OD1 ASP A 39 41.472 29.881 23.394 1.00 49.24 O ATOM 615 OD2 ASP A 39 42.795 28.477 24.272 1.00 49.24 O ATOM 0 H ASP A 39 40.374 28.459 21.839 1.00 49.53 H new ATOM 0 HA ASP A 39 38.409 27.563 23.706 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.372 27.966 25.361 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.747 26.894 24.027 1.00 49.72 H new ATOM 620 N GLN A 40 38.303 30.564 23.535 1.00 49.53 N ATOM 621 CA GLN A 40 37.714 31.781 24.144 1.00 50.07 C ATOM 622 C GLN A 40 36.282 31.945 23.600 1.00 50.51 C ATOM 623 O GLN A 40 35.533 32.750 24.138 1.00 49.49 O ATOM 624 CB GLN A 40 38.552 33.019 23.814 1.00 49.82 C ATOM 625 CG GLN A 40 39.905 33.057 24.504 1.00 49.82 C ATOM 626 CD GLN A 40 40.615 34.384 24.313 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.092 35.297 23.667 1.00 49.45 O ATOM 628 NE2 GLN A 40 41.815 34.498 24.871 1.00 49.38 N ATOM 0 H GLN A 40 38.429 30.599 22.523 1.00 49.53 H new ATOM 0 HA GLN A 40 37.697 31.676 25.229 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.705 33.063 22.736 1.00 49.82 H new ATOM 0 HB3 GLN A 40 37.989 33.910 24.093 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.772 32.869 25.569 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.531 32.254 24.115 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.209 33.718 25.397 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.342 35.366 24.774 1.00 49.38 H new ATOM 637 N GLN A 41 35.906 31.162 22.613 1.00 49.53 N ATOM 638 CA GLN A 41 34.613 31.244 21.978 1.00 50.07 C ATOM 639 C GLN A 41 33.487 30.549 22.714 1.00 50.51 C ATOM 640 O GLN A 41 33.561 29.424 23.184 1.00 49.49 O ATOM 641 CB GLN A 41 34.696 30.684 20.555 1.00 49.82 C ATOM 642 CG GLN A 41 35.725 31.374 19.674 1.00 49.82 C ATOM 643 CD GLN A 41 35.710 30.851 18.251 1.00 50.55 C ATOM 644 OE1 GLN A 41 36.559 31.216 17.432 1.00 49.45 O ATOM 645 NE2 GLN A 41 34.742 29.995 17.945 1.00 49.38 N ATOM 0 H GLN A 41 36.505 30.435 22.222 1.00 49.53 H new ATOM 0 HA GLN A 41 34.364 32.305 21.982 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.933 29.621 20.608 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.716 30.769 20.085 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.532 32.447 19.666 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.718 31.232 20.100 1.00 49.82 H new ATOM 0 HE21 GLN A 41 34.061 29.721 18.653 1.00 49.38 H new ATOM 0 HE22 GLN A 41 34.679 29.612 17.002 1.00 49.38 H new ATOM 654 N ARG A 42 32.314 31.176 22.652 1.00 49.53 N ATOM 655 CA ARG A 42 31.064 30.542 23.175 1.00 50.07 C ATOM 656 C ARG A 42 30.027 30.715 22.087 1.00 50.51 C ATOM 657 O ARG A 42 29.726 31.932 21.760 1.00 49.49 O ATOM 658 CB ARG A 42 30.614 31.123 24.507 1.00 49.82 C ATOM 659 CG ARG A 42 29.230 30.685 24.961 1.00 49.82 C ATOM 660 CD ARG A 42 28.814 31.237 26.276 1.00 50.20 C ATOM 661 NE ARG A 42 29.615 30.780 27.401 1.00 49.30 N ATOM 662 CZ ARG A 42 29.514 31.261 28.656 1.00 50.64 C ATOM 663 NH1 ARG A 42 28.680 32.235 28.943 1.00 49.20 N ATOM 664 NH2 ARG A 42 30.296 30.743 29.587 1.00 49.20 N ATOM 0 H ARG A 42 32.183 32.107 22.256 1.00 49.53 H new ATOM 0 HA ARG A 42 31.231 29.488 23.396 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.337 30.842 25.272 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.630 32.211 24.437 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.502 30.985 24.208 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.205 29.597 25.013 1.00 49.82 H new ATOM 0 HD2 ARG A 42 28.861 32.325 26.231 1.00 50.20 H new ATOM 0 HD3 ARG A 42 27.772 30.970 26.455 1.00 50.20 H new ATOM 0 HE ARG A 42 30.300 30.045 27.228 1.00 49.30 H new ATOM 0 HH11 ARG A 42 28.096 32.639 28.211 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.616 32.587 29.898 1.00 49.20 H new ATOM 0 HH21 ARG A 42 30.952 30.000 29.346 1.00 49.20 H new ATOM 0 HH22 ARG A 42 30.243 31.086 30.546 1.00 49.20 H new ATOM 678 N LEU A 43 29.539 29.641 21.468 1.00 49.53 N ATOM 679 CA LEU A 43 28.562 29.774 20.359 1.00 50.07 C ATOM 680 C LEU A 43 27.164 29.352 20.798 1.00 50.51 C ATOM 681 O LEU A 43 27.012 28.244 21.329 1.00 49.49 O ATOM 682 CB LEU A 43 29.015 28.943 19.152 1.00 49.82 C ATOM 683 CG LEU A 43 30.321 29.406 18.493 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.705 28.455 17.369 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.150 30.824 17.967 1.00 49.73 C ATOM 0 H LEU A 43 29.791 28.680 21.701 1.00 49.53 H new ATOM 0 HA LEU A 43 28.519 30.825 20.072 1.00 50.07 H new ATOM 0 HB2 LEU A 43 29.134 27.907 19.469 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.223 28.958 18.403 1.00 49.82 H new ATOM 0 HG LEU A 43 31.123 29.400 19.231 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.633 28.793 16.908 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.844 27.452 17.773 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.913 28.438 16.620 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.078 31.153 17.499 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.345 30.845 17.232 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.904 31.491 18.793 1.00 49.73 H new ATOM 697 N ILE A 44 26.208 30.261 20.636 1.00 49.53 N ATOM 698 CA ILE A 44 24.826 30.042 21.051 1.00 50.07 C ATOM 699 C ILE A 44 23.866 29.964 19.870 1.00 50.51 C ATOM 700 O ILE A 44 23.861 30.790 18.980 1.00 49.49 O ATOM 701 CB ILE A 44 24.348 31.148 22.010 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.209 31.164 23.277 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.882 30.949 22.361 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.130 32.459 24.051 1.00 49.73 C ATOM 0 H ILE A 44 26.370 31.174 20.211 1.00 49.53 H new ATOM 0 HA ILE A 44 24.818 29.081 21.565 1.00 50.07 H new ATOM 0 HB ILE A 44 24.453 32.111 21.510 1.00 49.91 H new ATOM 0 HG12 ILE A 44 24.900 30.344 23.926 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.247 30.979 23.002 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.560 31.739 23.039 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.282 30.985 21.452 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.752 29.981 22.844 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.766 32.394 24.934 1.00 49.73 H new ATOM 0 HD12 ILE A 44 25.468 33.281 23.420 1.00 49.73 H new ATOM 0 HD13 ILE A 44 24.099 32.637 24.358 1.00 49.73 H new ATOM 716 N PHE A 45 22.999 28.917 19.914 1.00 49.53 N ATOM 717 CA PHE A 45 21.971 28.724 18.880 1.00 50.07 C ATOM 718 C PHE A 45 20.683 28.201 19.545 1.00 50.51 C ATOM 719 O PHE A 45 20.631 27.109 20.113 1.00 49.49 O ATOM 720 CB PHE A 45 22.456 27.747 17.808 1.00 49.82 C ATOM 721 CG PHE A 45 21.391 27.343 16.830 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.805 28.281 15.993 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.971 26.023 16.744 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.824 27.909 15.092 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.992 25.649 15.845 1.00 49.88 C ATOM 726 CZ PHE A 45 19.418 26.594 15.018 1.00 49.88 C ATOM 0 H PHE A 45 22.998 28.208 20.647 1.00 49.53 H new ATOM 0 HA PHE A 45 21.768 29.677 18.392 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.283 28.202 17.263 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.847 26.853 18.294 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.118 29.313 16.045 1.00 49.88 H new ATOM 0 HD2 PHE A 45 21.416 25.279 17.388 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.376 28.649 14.446 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.675 24.618 15.789 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.652 26.303 14.314 1.00 49.88 H new ATOM 736 N ALA A 46 19.708 29.076 19.494 1.00 49.53 N ATOM 737 CA ALA A 46 18.351 28.805 20.009 1.00 50.07 C ATOM 738 C ALA A 46 18.387 28.881 21.527 1.00 50.51 C ATOM 739 O ALA A 46 17.523 28.335 22.231 1.00 49.49 O ATOM 740 CB ALA A 46 17.867 27.467 19.549 1.00 49.73 C ATOM 0 H ALA A 46 19.816 30.008 19.095 1.00 49.53 H new ATOM 0 HA ALA A 46 17.654 29.549 19.624 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.865 27.288 19.940 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.840 27.445 18.460 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.542 26.692 19.912 1.00 49.73 H new ATOM 746 N GLY A 47 19.417 29.514 22.008 1.00 49.53 N ATOM 747 CA GLY A 47 19.754 29.754 23.380 1.00 49.98 C ATOM 748 C GLY A 47 20.443 28.553 23.972 1.00 50.51 C ATOM 749 O GLY A 47 20.892 28.609 25.139 1.00 49.49 O ATOM 0 H GLY A 47 20.114 29.917 21.382 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.404 30.626 23.454 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.852 29.980 23.948 1.00 49.98 H new ATOM 753 N LYS A 48 20.596 27.499 23.217 1.00 49.53 N ATOM 754 CA LYS A 48 21.296 26.292 23.678 1.00 50.07 C ATOM 755 C LYS A 48 22.816 26.413 23.459 1.00 50.51 C ATOM 756 O LYS A 48 23.224 26.588 22.321 1.00 49.49 O ATOM 757 CB LYS A 48 20.759 25.054 22.959 1.00 49.82 C ATOM 758 CG LYS A 48 21.210 23.731 23.563 1.00 49.82 C ATOM 759 CD LYS A 48 20.695 22.549 22.755 1.00 49.82 C ATOM 760 CE LYS A 48 21.189 21.229 23.327 1.00 50.21 C ATOM 761 NZ LYS A 48 20.666 20.062 22.566 1.00 49.70 N ATOM 0 H LYS A 48 20.245 27.435 22.261 1.00 49.53 H new ATOM 0 HA LYS A 48 21.112 26.188 24.747 1.00 50.07 H new ATOM 0 HB2 LYS A 48 19.670 25.089 22.965 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.074 25.089 21.916 1.00 49.82 H new ATOM 0 HG2 LYS A 48 22.299 23.700 23.603 1.00 49.82 H new ATOM 0 HG3 LYS A 48 20.851 23.656 24.589 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.605 22.559 22.747 1.00 49.82 H new ATOM 0 HD3 LYS A 48 21.022 22.644 21.720 1.00 49.82 H new ATOM 0 HE2 LYS A 48 22.279 21.213 23.312 1.00 50.21 H new ATOM 0 HE3 LYS A 48 20.883 21.149 24.370 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 21.026 19.183 22.988 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 19.627 20.062 22.601 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 20.979 20.124 21.576 1.00 49.70 H new ATOM 775 N GLN A 49 23.591 26.308 24.506 1.00 49.53 N ATOM 776 CA GLN A 49 25.072 26.296 24.342 1.00 50.07 C ATOM 777 C GLN A 49 25.448 25.078 23.503 1.00 50.51 C ATOM 778 O GLN A 49 24.874 23.983 23.744 1.00 49.49 O ATOM 779 CB GLN A 49 25.773 26.243 25.701 1.00 49.82 C ATOM 780 CG GLN A 49 27.265 25.969 25.622 1.00 49.82 C ATOM 781 CD GLN A 49 27.945 26.071 26.975 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.313 26.412 27.979 1.00 49.45 O ATOM 783 NE2 GLN A 49 29.240 25.780 27.009 1.00 49.38 N ATOM 0 H GLN A 49 23.261 26.230 25.468 1.00 49.53 H new ATOM 0 HA GLN A 49 25.393 27.211 23.844 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.616 27.191 26.215 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.305 25.469 26.309 1.00 49.82 H new ATOM 0 HG2 GLN A 49 27.427 24.973 25.211 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.726 26.677 24.933 1.00 49.82 H new ATOM 0 HE21 GLN A 49 29.723 25.502 26.155 1.00 49.38 H new ATOM 0 HE22 GLN A 49 29.752 25.834 27.890 1.00 49.38 H new ATOM 792 N LEU A 50 26.357 25.229 22.572 1.00 49.53 N ATOM 793 CA LEU A 50 26.731 24.144 21.649 1.00 50.07 C ATOM 794 C LEU A 50 27.596 23.163 22.422 1.00 50.51 C ATOM 795 O LEU A 50 28.293 23.604 23.314 1.00 49.49 O ATOM 796 CB LEU A 50 27.481 24.701 20.432 1.00 49.82 C ATOM 797 CG LEU A 50 26.624 25.502 19.446 1.00 49.91 C ATOM 798 CD1 LEU A 50 27.452 25.892 18.229 1.00 49.73 C ATOM 799 CD2 LEU A 50 25.415 24.675 19.033 1.00 49.73 C ATOM 0 H LEU A 50 26.867 26.099 22.419 1.00 49.53 H new ATOM 0 HA LEU A 50 25.841 23.642 21.270 1.00 50.07 H new ATOM 0 HB2 LEU A 50 28.291 25.339 20.786 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.940 23.870 19.897 1.00 49.82 H new ATOM 0 HG LEU A 50 26.276 26.416 19.928 1.00 49.91 H new ATOM 0 HD11 LEU A 50 26.833 26.461 17.535 1.00 49.73 H new ATOM 0 HD12 LEU A 50 28.298 26.502 18.545 1.00 49.73 H new ATOM 0 HD13 LEU A 50 27.818 24.992 17.735 1.00 49.73 H new ATOM 0 HD21 LEU A 50 24.806 25.246 18.332 1.00 49.73 H new ATOM 0 HD22 LEU A 50 25.750 23.754 18.556 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.822 24.432 19.915 1.00 49.73 H new ATOM 811 N GLU A 51 27.535 21.880 22.062 1.00 49.53 N ATOM 812 CA GLU A 51 28.307 20.856 22.798 1.00 50.07 C ATOM 813 C GLU A 51 29.428 20.280 21.977 1.00 50.51 C ATOM 814 O GLU A 51 29.313 20.238 20.754 1.00 49.49 O ATOM 815 CB GLU A 51 27.381 19.735 23.275 1.00 49.82 C ATOM 816 CG GLU A 51 26.536 20.089 24.489 1.00 49.72 C ATOM 817 CD GLU A 51 25.726 18.911 24.954 1.00 50.62 C ATOM 818 OE1 GLU A 51 24.984 18.376 24.167 1.00 49.24 O ATOM 819 OE2 GLU A 51 25.933 18.475 26.062 1.00 49.24 O ATOM 0 H GLU A 51 26.977 21.523 21.287 1.00 49.53 H new ATOM 0 HA GLU A 51 28.756 21.353 23.658 1.00 50.07 H new ATOM 0 HB2 GLU A 51 26.718 19.455 22.456 1.00 49.82 H new ATOM 0 HB3 GLU A 51 27.984 18.858 23.511 1.00 49.82 H new ATOM 0 HG2 GLU A 51 27.182 20.430 25.298 1.00 49.72 H new ATOM 0 HG3 GLU A 51 25.870 20.916 24.243 1.00 49.72 H new ATOM 826 N ASP A 52 30.507 19.837 22.572 1.00 49.53 N ATOM 827 CA ASP A 52 31.708 19.332 21.914 1.00 50.07 C ATOM 828 C ASP A 52 31.566 18.168 20.948 1.00 50.51 C ATOM 829 O ASP A 52 32.314 18.135 19.930 1.00 49.49 O ATOM 830 CB ASP A 52 32.750 18.964 22.972 1.00 49.72 C ATOM 831 CG ASP A 52 32.993 20.045 24.017 1.00 50.62 C ATOM 832 OD1 ASP A 52 32.078 20.361 24.742 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.123 20.434 24.189 1.00 49.24 O ATOM 0 H ASP A 52 30.585 19.814 23.589 1.00 49.53 H new ATOM 0 HA ASP A 52 32.004 20.164 21.276 1.00 50.07 H new ATOM 0 HB2 ASP A 52 32.431 18.052 23.477 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.693 18.739 22.473 1.00 49.72 H new ATOM 838 N GLY A 53 30.757 17.188 21.283 1.00 49.53 N ATOM 839 CA GLY A 53 30.555 15.965 20.485 1.00 49.98 C ATOM 840 C GLY A 53 29.415 15.874 19.525 1.00 50.51 C ATOM 841 O GLY A 53 29.190 14.816 18.895 1.00 49.49 O ATOM 0 H GLY A 53 30.200 17.205 22.137 1.00 49.53 H new ATOM 0 HA2 GLY A 53 31.470 15.795 19.917 1.00 49.98 H new ATOM 0 HA3 GLY A 53 30.455 15.135 21.185 1.00 49.98 H new ATOM 845 N ARG A 54 28.649 16.941 19.327 1.00 49.53 N ATOM 846 CA ARG A 54 27.551 16.950 18.338 1.00 50.07 C ATOM 847 C ARG A 54 27.817 17.393 16.907 1.00 50.51 C ATOM 848 O ARG A 54 28.701 18.240 16.658 1.00 49.49 O ATOM 849 CB ARG A 54 26.346 17.701 18.886 1.00 49.82 C ATOM 850 CG ARG A 54 25.715 17.084 20.123 1.00 49.82 C ATOM 851 CD ARG A 54 25.155 15.724 19.910 1.00 50.20 C ATOM 852 NE ARG A 54 24.577 15.118 21.099 1.00 49.30 N ATOM 853 CZ ARG A 54 23.992 13.905 21.132 1.00 50.64 C ATOM 854 NH1 ARG A 54 23.872 13.181 20.042 1.00 49.20 N ATOM 855 NH2 ARG A 54 23.520 13.470 22.288 1.00 49.20 N ATOM 0 H ARG A 54 28.760 17.819 19.835 1.00 49.53 H new ATOM 0 HA ARG A 54 27.378 15.881 18.216 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.649 18.721 19.121 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.590 17.765 18.104 1.00 49.82 H new ATOM 0 HG2 ARG A 54 26.464 17.036 20.913 1.00 49.82 H new ATOM 0 HG3 ARG A 54 24.920 17.740 20.477 1.00 49.82 H new ATOM 0 HD2 ARG A 54 24.390 15.777 19.136 1.00 50.20 H new ATOM 0 HD3 ARG A 54 25.945 15.074 19.534 1.00 50.20 H new ATOM 0 HE ARG A 54 24.617 15.649 21.969 1.00 49.30 H new ATOM 0 HH11 ARG A 54 24.225 13.535 19.153 1.00 49.20 H new ATOM 0 HH12 ARG A 54 23.426 12.265 20.085 1.00 49.20 H new ATOM 0 HH21 ARG A 54 23.604 14.049 23.124 1.00 49.20 H new ATOM 0 HH22 ARG A 54 23.072 12.555 22.344 1.00 49.20 H new ATOM 869 N THR A 55 27.016 16.915 15.987 1.00 49.53 N ATOM 870 CA THR A 55 27.085 17.283 14.555 1.00 50.07 C ATOM 871 C THR A 55 26.077 18.453 14.464 1.00 50.51 C ATOM 872 O THR A 55 25.124 18.511 15.233 1.00 49.49 O ATOM 873 CB THR A 55 26.664 16.132 13.623 1.00 50.14 C ATOM 874 OG1 THR A 55 25.362 15.662 13.997 1.00 49.34 O ATOM 875 CG2 THR A 55 27.657 14.984 13.709 1.00 49.73 C ATOM 0 H THR A 55 26.276 16.245 16.195 1.00 49.53 H new ATOM 0 HA THR A 55 28.098 17.533 14.239 1.00 50.07 H new ATOM 0 HB THR A 55 26.643 16.504 12.599 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.095 14.931 13.402 1.00 49.34 H new ATOM 0 HG21 THR A 55 27.342 14.180 13.043 1.00 49.73 H new ATOM 0 HG22 THR A 55 28.645 15.335 13.412 1.00 49.73 H new ATOM 0 HG23 THR A 55 27.696 14.613 14.733 1.00 49.73 H new ATOM 883 N LEU A 56 26.320 19.338 13.517 1.00 49.53 N ATOM 884 CA LEU A 56 25.425 20.478 13.257 1.00 50.07 C ATOM 885 C LEU A 56 24.020 19.950 12.979 1.00 50.51 C ATOM 886 O LEU A 56 23.085 20.523 13.471 1.00 49.49 O ATOM 887 CB LEU A 56 25.938 21.307 12.073 1.00 49.82 C ATOM 888 CG LEU A 56 27.326 21.933 12.267 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.792 22.584 10.972 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.269 22.954 13.394 1.00 49.73 C ATOM 0 H LEU A 56 27.134 19.299 12.903 1.00 49.53 H new ATOM 0 HA LEU A 56 25.400 21.129 14.131 1.00 50.07 H new ATOM 0 HB2 LEU A 56 25.964 20.670 11.189 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.222 22.104 11.871 1.00 49.82 H new ATOM 0 HG LEU A 56 28.042 21.155 12.533 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.778 23.025 11.121 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.846 21.831 10.185 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.086 23.362 10.682 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.254 23.399 13.532 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.551 23.734 13.142 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.961 22.461 14.316 1.00 49.73 H new ATOM 902 N SER A 57 23.918 18.795 12.289 1.00 49.53 N ATOM 903 CA SER A 57 22.553 18.288 12.008 1.00 50.07 C ATOM 904 C SER A 57 21.855 17.998 13.318 1.00 50.51 C ATOM 905 O SER A 57 20.601 18.155 13.424 1.00 49.49 O ATOM 906 CB SER A 57 22.617 17.044 11.144 1.00 50.05 C ATOM 907 OG SER A 57 21.363 16.700 10.621 1.00 49.34 O ATOM 0 H SER A 57 24.693 18.232 11.939 1.00 49.53 H new ATOM 0 HA SER A 57 21.989 19.043 11.461 1.00 50.07 H new ATOM 0 HB2 SER A 57 23.318 17.207 10.326 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.004 16.213 11.734 1.00 50.05 H new ATOM 0 HG SER A 57 21.448 15.894 10.069 1.00 49.34 H new ATOM 913 N ASP A 58 22.611 17.612 14.331 1.00 49.53 N ATOM 914 CA ASP A 58 22.028 17.306 15.664 1.00 50.07 C ATOM 915 C ASP A 58 21.316 18.524 16.264 1.00 50.51 C ATOM 916 O ASP A 58 20.716 18.475 17.341 1.00 49.49 O ATOM 917 CB ASP A 58 23.115 16.812 16.621 1.00 49.72 C ATOM 918 CG ASP A 58 23.596 15.393 16.348 1.00 50.62 C ATOM 919 OD1 ASP A 58 22.864 14.644 15.744 1.00 49.24 O ATOM 920 OD2 ASP A 58 24.743 15.117 16.605 1.00 49.24 O ATOM 0 H ASP A 58 23.623 17.498 14.276 1.00 49.53 H new ATOM 0 HA ASP A 58 21.287 16.519 15.524 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.967 17.489 16.564 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.735 16.864 17.641 1.00 49.72 H new ATOM 925 N TYR A 59 21.513 19.644 15.632 1.00 49.53 N ATOM 926 CA TYR A 59 20.918 20.922 16.023 1.00 50.07 C ATOM 927 C TYR A 59 19.973 21.303 14.907 1.00 50.51 C ATOM 928 O TYR A 59 19.131 22.194 15.137 1.00 49.49 O ATOM 929 CB TYR A 59 21.992 21.994 16.222 1.00 49.82 C ATOM 930 CG TYR A 59 23.031 21.637 17.262 1.00 50.00 C ATOM 931 CD1 TYR A 59 22.675 21.449 18.589 1.00 49.88 C ATOM 932 CD2 TYR A 59 24.365 21.489 16.913 1.00 49.88 C ATOM 933 CE1 TYR A 59 23.619 21.122 19.542 1.00 49.88 C ATOM 934 CE2 TYR A 59 25.319 21.161 17.857 1.00 49.88 C ATOM 935 CZ TYR A 59 24.941 20.978 19.172 1.00 50.11 C ATOM 936 OH TYR A 59 25.886 20.654 20.118 1.00 49.46 O ATOM 0 H TYR A 59 22.106 19.713 14.805 1.00 49.53 H new ATOM 0 HA TYR A 59 20.393 20.836 16.974 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.492 22.174 15.270 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.510 22.928 16.510 1.00 49.82 H new ATOM 0 HD1 TYR A 59 21.642 21.560 18.882 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.663 21.633 15.885 1.00 49.88 H new ATOM 0 HE1 TYR A 59 23.325 20.980 20.571 1.00 49.88 H new ATOM 0 HE2 TYR A 59 26.354 21.049 17.568 1.00 49.88 H new ATOM 0 HH TYR A 59 25.593 19.862 20.615 1.00 49.46 H new ATOM 946 N ASN A 60 20.020 20.710 13.733 1.00 49.53 N ATOM 947 CA ASN A 60 19.075 21.114 12.671 1.00 50.07 C ATOM 948 C ASN A 60 19.044 22.630 12.526 1.00 50.51 C ATOM 949 O ASN A 60 17.970 23.262 12.571 1.00 49.49 O ATOM 950 CB ASN A 60 17.679 20.581 12.937 1.00 49.82 C ATOM 951 CG ASN A 60 16.828 20.469 11.702 1.00 50.55 C ATOM 952 OD1 ASN A 60 17.305 20.084 10.628 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.593 20.881 11.828 1.00 49.38 N ATOM 0 H ASN A 60 20.673 19.969 13.478 1.00 49.53 H new ATOM 0 HA ASN A 60 19.427 20.680 11.735 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.758 19.599 13.403 1.00 49.82 H new ATOM 0 HB3 ASN A 60 17.181 21.235 13.653 1.00 49.82 H new ATOM 0 HD21 ASN A 60 14.975 20.895 11.017 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.248 21.189 12.737 1.00 49.38 H new ATOM 960 N ILE A 61 20.191 23.229 12.278 1.00 49.53 N ATOM 961 CA ILE A 61 20.261 24.699 12.026 1.00 50.07 C ATOM 962 C ILE A 61 19.794 24.820 10.579 1.00 50.51 C ATOM 963 O ILE A 61 20.624 24.423 9.708 1.00 49.49 O ATOM 964 CB ILE A 61 21.686 25.263 12.181 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.145 25.162 13.638 1.00 49.82 C ATOM 966 CG2 ILE A 61 21.743 26.704 11.700 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.639 25.293 13.818 1.00 49.73 C ATOM 0 H ILE A 61 21.090 22.749 12.240 1.00 49.53 H new ATOM 0 HA ILE A 61 19.661 25.265 12.739 1.00 50.07 H new ATOM 0 HB ILE A 61 22.362 24.670 11.566 1.00 49.91 H new ATOM 0 HG12 ILE A 61 21.649 25.939 14.220 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.822 24.204 14.045 1.00 49.82 H new ATOM 0 HG21 ILE A 61 22.757 27.087 11.817 1.00 49.73 H new ATOM 0 HG22 ILE A 61 21.457 26.748 10.649 1.00 49.73 H new ATOM 0 HG23 ILE A 61 21.056 27.312 12.289 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.887 25.211 14.876 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.143 24.500 13.265 1.00 49.73 H new ATOM 0 HD13 ILE A 61 23.967 26.262 13.443 1.00 49.73 H new ATOM 979 N GLN A 62 18.601 25.290 10.345 1.00 49.53 N ATOM 980 CA GLN A 62 18.007 25.390 8.979 1.00 50.07 C ATOM 981 C GLN A 62 18.781 26.466 8.212 1.00 50.51 C ATOM 982 O GLN A 62 19.693 27.093 8.780 1.00 49.49 O ATOM 983 CB GLN A 62 16.522 25.754 9.051 1.00 49.82 C ATOM 984 CG GLN A 62 16.246 27.136 9.617 1.00 49.82 C ATOM 985 CD GLN A 62 14.788 27.534 9.487 1.00 50.55 C ATOM 986 OE1 GLN A 62 13.974 26.791 8.933 1.00 49.45 O ATOM 987 NE2 GLN A 62 14.450 28.714 9.996 1.00 49.38 N ATOM 0 H GLN A 62 17.982 25.626 11.083 1.00 49.53 H new ATOM 0 HA GLN A 62 18.081 24.428 8.471 1.00 50.07 H new ATOM 0 HB2 GLN A 62 16.095 25.692 8.050 1.00 49.82 H new ATOM 0 HB3 GLN A 62 16.007 25.014 9.663 1.00 49.82 H new ATOM 0 HG2 GLN A 62 16.534 27.159 10.668 1.00 49.82 H new ATOM 0 HG3 GLN A 62 16.867 27.868 9.100 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.156 29.297 10.446 1.00 49.38 H new ATOM 0 HE22 GLN A 62 13.484 29.037 9.937 1.00 49.38 H new ATOM 996 N LYS A 63 18.462 26.665 6.935 1.00 49.53 N ATOM 997 CA LYS A 63 19.166 27.606 6.092 1.00 50.07 C ATOM 998 C LYS A 63 18.848 29.040 6.507 1.00 50.51 C ATOM 999 O LYS A 63 17.791 29.368 7.024 1.00 49.49 O ATOM 1000 CB LYS A 63 18.803 27.388 4.622 1.00 49.82 C ATOM 1001 CG LYS A 63 19.898 27.781 3.639 1.00 49.82 C ATOM 1002 CD LYS A 63 19.356 27.891 2.222 1.00 49.82 C ATOM 1003 CE LYS A 63 19.014 26.522 1.652 1.00 50.21 C ATOM 1004 NZ LYS A 63 18.457 26.615 0.275 1.00 49.70 N ATOM 0 H LYS A 63 17.704 26.173 6.462 1.00 49.53 H new ATOM 0 HA LYS A 63 20.236 27.438 6.214 1.00 50.07 H new ATOM 0 HB2 LYS A 63 18.558 26.336 4.473 1.00 49.82 H new ATOM 0 HB3 LYS A 63 17.904 27.960 4.394 1.00 49.82 H new ATOM 0 HG2 LYS A 63 20.334 28.734 3.939 1.00 49.82 H new ATOM 0 HG3 LYS A 63 20.698 27.041 3.668 1.00 49.82 H new ATOM 0 HD2 LYS A 63 18.467 28.521 2.219 1.00 49.82 H new ATOM 0 HD3 LYS A 63 20.094 28.378 1.585 1.00 49.82 H new ATOM 0 HE2 LYS A 63 19.909 25.900 1.640 1.00 50.21 H new ATOM 0 HE3 LYS A 63 18.292 26.028 2.303 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 18.238 25.661 -0.076 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 17.588 27.187 0.290 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 19.155 27.063 -0.352 1.00 49.70 H new ATOM 1018 N GLU A 64 19.884 29.871 6.319 1.00 49.53 N ATOM 1019 CA GLU A 64 19.882 31.281 6.608 1.00 50.07 C ATOM 1020 C GLU A 64 19.471 31.587 8.017 1.00 50.51 C ATOM 1021 O GLU A 64 18.764 32.586 8.308 1.00 49.49 O ATOM 1022 CB GLU A 64 18.966 32.020 5.629 1.00 49.82 C ATOM 1023 CG GLU A 64 19.459 32.028 4.190 1.00 49.72 C ATOM 1024 CD GLU A 64 20.601 32.990 4.009 1.00 50.62 C ATOM 1025 OE1 GLU A 64 20.852 33.760 4.906 1.00 49.24 O ATOM 1026 OE2 GLU A 64 21.294 32.880 3.025 1.00 49.24 O ATOM 0 H GLU A 64 20.776 29.548 5.945 1.00 49.53 H new ATOM 0 HA GLU A 64 20.909 31.626 6.491 1.00 50.07 H new ATOM 0 HB2 GLU A 64 17.978 31.562 5.659 1.00 49.82 H new ATOM 0 HB3 GLU A 64 18.850 33.050 5.966 1.00 49.82 H new ATOM 0 HG2 GLU A 64 19.777 31.025 3.907 1.00 49.72 H new ATOM 0 HG3 GLU A 64 18.641 32.302 3.524 1.00 49.72 H new ATOM 1033 N SER A 65 20.030 30.819 8.938 1.00 49.53 N ATOM 1034 CA SER A 65 19.851 31.020 10.382 1.00 50.07 C ATOM 1035 C SER A 65 21.189 31.593 10.906 1.00 50.51 C ATOM 1036 O SER A 65 22.252 31.225 10.419 1.00 49.49 O ATOM 1037 CB SER A 65 19.500 29.715 11.071 1.00 50.05 C ATOM 1038 OG SER A 65 18.269 29.207 10.639 1.00 49.34 O ATOM 0 H SER A 65 20.630 30.026 8.709 1.00 49.53 H new ATOM 0 HA SER A 65 19.027 31.703 10.589 1.00 50.07 H new ATOM 0 HB2 SER A 65 20.283 28.981 10.878 1.00 50.05 H new ATOM 0 HB3 SER A 65 19.469 29.871 12.149 1.00 50.05 H new ATOM 0 HG SER A 65 17.782 28.836 11.404 1.00 49.34 H new ATOM 1044 N THR A 66 21.117 32.507 11.838 1.00 49.53 N ATOM 1045 CA THR A 66 22.305 33.073 12.487 1.00 50.07 C ATOM 1046 C THR A 66 22.729 32.598 13.876 1.00 50.51 C ATOM 1047 O THR A 66 21.845 32.454 14.750 1.00 49.49 O ATOM 1048 CB THR A 66 22.189 34.608 12.547 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.901 35.119 11.240 1.00 49.34 O ATOM 1050 CG2 THR A 66 23.485 35.221 13.054 1.00 49.73 C ATOM 0 H THR A 66 20.236 32.891 12.180 1.00 49.53 H new ATOM 0 HA THR A 66 23.088 32.686 11.835 1.00 50.07 H new ATOM 0 HB THR A 66 21.383 34.870 13.232 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.826 36.095 11.280 1.00 49.34 H new ATOM 0 HG21 THR A 66 23.385 36.306 13.090 1.00 49.73 H new ATOM 0 HG22 THR A 66 23.700 34.843 14.054 1.00 49.73 H new ATOM 0 HG23 THR A 66 24.301 34.954 12.382 1.00 49.73 H new ATOM 1058 N LEU A 67 24.007 32.244 14.048 1.00 49.53 N ATOM 1059 CA LEU A 67 24.503 31.882 15.382 1.00 50.07 C ATOM 1060 C LEU A 67 25.178 33.034 16.155 1.00 50.51 C ATOM 1061 O LEU A 67 25.619 33.949 15.441 1.00 49.49 O ATOM 1062 CB LEU A 67 25.473 30.699 15.268 1.00 49.82 C ATOM 1063 CG LEU A 67 24.811 29.318 15.185 1.00 49.91 C ATOM 1064 CD1 LEU A 67 23.546 29.395 14.340 1.00 49.73 C ATOM 1065 CD2 LEU A 67 25.794 28.317 14.595 1.00 49.73 C ATOM 0 H LEU A 67 24.702 32.200 13.302 1.00 49.53 H new ATOM 0 HA LEU A 67 23.620 31.614 15.963 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.092 30.841 14.382 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.141 30.713 16.129 1.00 49.82 H new ATOM 0 HG LEU A 67 24.533 28.988 16.186 1.00 49.91 H new ATOM 0 HD11 LEU A 67 23.083 28.410 14.287 1.00 49.73 H new ATOM 0 HD12 LEU A 67 22.848 30.100 14.793 1.00 49.73 H new ATOM 0 HD13 LEU A 67 23.800 29.731 13.335 1.00 49.73 H new ATOM 0 HD21 LEU A 67 25.323 27.336 14.536 1.00 49.73 H new ATOM 0 HD22 LEU A 67 26.086 28.640 13.596 1.00 49.73 H new ATOM 0 HD23 LEU A 67 26.678 28.258 15.230 1.00 49.73 H new ATOM 1077 N HIS A 68 25.102 33.023 17.437 1.00 49.53 N ATOM 1078 CA HIS A 68 25.779 34.088 18.217 1.00 50.07 C ATOM 1079 C HIS A 68 27.096 33.667 18.864 1.00 50.51 C ATOM 1080 O HIS A 68 27.168 32.622 19.546 1.00 49.49 O ATOM 1081 CB HIS A 68 24.835 34.630 19.295 1.00 49.92 C ATOM 1082 CG HIS A 68 23.608 35.289 18.746 1.00 50.22 C ATOM 1083 ND1 HIS A 68 23.663 36.388 17.914 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.295 35.005 18.910 1.00 49.95 C ATOM 1085 CE1 HIS A 68 22.434 36.751 17.588 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.587 35.928 18.180 1.00 49.64 N ATOM 0 H HIS A 68 24.602 32.326 17.989 1.00 49.53 H new ATOM 0 HA HIS A 68 26.032 34.860 17.491 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.535 33.810 19.948 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.376 35.347 19.912 1.00 49.92 H new ATOM 0 HD2 HIS A 68 21.882 34.203 19.504 1.00 49.95 H new ATOM 0 HE1 HIS A 68 22.168 37.579 16.947 1.00 50.25 H new ATOM 0 HE2 HIS A 68 20.571 35.971 18.107 1.00 49.64 H new ATOM 1094 N LEU A 69 28.120 34.490 18.714 1.00 49.53 N ATOM 1095 CA LEU A 69 29.413 34.242 19.344 1.00 50.07 C ATOM 1096 C LEU A 69 29.623 35.137 20.528 1.00 50.51 C ATOM 1097 O LEU A 69 29.486 36.400 20.352 1.00 49.49 O ATOM 1098 CB LEU A 69 30.544 34.432 18.325 1.00 49.82 C ATOM 1099 CG LEU A 69 31.961 34.413 18.911 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.189 33.123 19.685 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.978 34.555 17.788 1.00 49.73 C ATOM 0 H LEU A 69 28.083 35.344 18.157 1.00 49.53 H new ATOM 0 HA LEU A 69 29.423 33.211 19.698 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.469 33.647 17.572 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.393 35.382 17.812 1.00 49.82 H new ATOM 0 HG LEU A 69 32.080 35.249 19.600 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.198 33.119 20.097 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.465 33.053 20.497 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.067 32.271 19.016 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.985 34.541 18.205 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.864 33.728 17.087 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.814 35.498 17.266 1.00 49.73 H new ATOM 1113 N VAL A 70 29.852 34.616 21.689 1.00 49.53 N ATOM 1114 CA VAL A 70 30.174 35.464 22.872 1.00 50.07 C ATOM 1115 C VAL A 70 31.630 35.155 23.249 1.00 50.51 C ATOM 1116 O VAL A 70 32.022 33.967 23.241 1.00 49.49 O ATOM 1117 CB VAL A 70 29.250 35.172 24.068 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.654 36.010 25.272 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.798 35.440 23.699 1.00 49.73 C ATOM 0 H VAL A 70 29.831 33.614 21.880 1.00 49.53 H new ATOM 0 HA VAL A 70 30.029 36.515 22.621 1.00 50.07 H new ATOM 0 HB VAL A 70 29.351 34.119 24.330 1.00 49.91 H new ATOM 0 HG11 VAL A 70 28.990 35.790 26.108 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.680 35.773 25.552 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.582 37.068 25.020 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.160 35.228 24.557 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.683 36.485 23.410 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.510 34.799 22.865 1.00 49.73 H new ATOM 1129 N LEU A 71 32.411 36.171 23.538 1.00 49.53 N ATOM 1130 CA LEU A 71 33.818 35.960 23.945 1.00 50.07 C ATOM 1131 C LEU A 71 34.059 35.885 25.429 1.00 50.51 C ATOM 1132 O LEU A 71 34.116 36.918 26.126 1.00 49.49 O ATOM 1133 CB LEU A 71 34.697 37.060 23.337 1.00 49.82 C ATOM 1134 CG LEU A 71 36.209 36.812 23.427 1.00 49.91 C ATOM 1135 CD1 LEU A 71 36.592 35.612 22.571 1.00 49.73 C ATOM 1136 CD2 LEU A 71 36.957 38.058 22.974 1.00 49.73 C ATOM 0 H LEU A 71 32.119 37.148 23.505 1.00 49.53 H new ATOM 0 HA LEU A 71 34.083 34.974 23.562 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.427 37.181 22.288 1.00 49.82 H new ATOM 0 HB3 LEU A 71 34.469 38.002 23.836 1.00 49.82 H new ATOM 0 HG LEU A 71 36.482 36.596 24.460 1.00 49.91 H new ATOM 0 HD11 LEU A 71 37.667 35.443 22.641 1.00 49.73 H new ATOM 0 HD12 LEU A 71 36.062 34.728 22.926 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.322 35.805 21.533 1.00 49.73 H new ATOM 0 HD21 LEU A 71 38.031 37.881 23.038 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.688 38.289 21.943 1.00 49.73 H new ATOM 0 HD23 LEU A 71 36.688 38.897 23.616 1.00 49.73 H new ATOM 1148 N ARG A 72 34.191 34.722 25.947 1.00 49.53 N ATOM 1149 CA ARG A 72 34.490 34.493 27.377 1.00 50.07 C ATOM 1150 C ARG A 72 35.962 34.824 27.616 1.00 50.51 C ATOM 1151 O ARG A 72 36.722 34.456 26.664 1.00 49.49 O ATOM 1152 CB ARG A 72 34.139 33.083 27.831 1.00 49.82 C ATOM 1153 CG ARG A 72 34.334 32.823 29.316 1.00 49.82 C ATOM 1154 CD ARG A 72 33.649 31.604 29.818 1.00 50.20 C ATOM 1155 NE ARG A 72 34.150 30.359 29.261 1.00 49.30 N ATOM 1156 CZ ARG A 72 35.221 29.687 29.730 1.00 50.64 C ATOM 1157 NH1 ARG A 72 35.927 30.155 30.736 1.00 49.20 N ATOM 1158 NH2 ARG A 72 35.558 28.557 29.134 1.00 49.20 N ATOM 0 H ARG A 72 34.099 33.861 25.408 1.00 49.53 H new ATOM 0 HA ARG A 72 33.863 35.148 27.982 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.099 32.883 27.575 1.00 49.82 H new ATOM 0 HB3 ARG A 72 34.747 32.374 27.270 1.00 49.82 H new ATOM 0 HG2 ARG A 72 35.401 32.736 29.521 1.00 49.82 H new ATOM 0 HG3 ARG A 72 33.971 33.686 29.875 1.00 49.82 H new ATOM 0 HD2 ARG A 72 33.748 31.568 30.903 1.00 50.20 H new ATOM 0 HD3 ARG A 72 32.585 31.684 29.597 1.00 50.20 H new ATOM 0 HE ARG A 72 33.657 29.966 28.459 1.00 49.30 H new ATOM 0 HH11 ARG A 72 35.667 31.039 31.174 1.00 49.20 H new ATOM 0 HH12 ARG A 72 36.734 29.634 31.079 1.00 49.20 H new ATOM 0 HH21 ARG A 72 35.013 28.216 28.342 1.00 49.20 H new ATOM 0 HH22 ARG A 72 36.363 28.026 29.466 1.00 49.20 H new ATOM 1172 N LEU A 73 36.332 35.468 28.672 1.00 49.53 N ATOM 1173 CA LEU A 73 37.766 35.794 28.878 1.00 50.07 C ATOM 1174 C LEU A 73 38.394 35.035 30.040 1.00 50.51 C ATOM 1175 O LEU A 73 37.756 34.809 31.079 1.00 49.49 O ATOM 1176 CB LEU A 73 37.933 37.304 29.088 1.00 49.82 C ATOM 1177 CG LEU A 73 37.317 38.186 27.996 1.00 49.91 C ATOM 1178 CD1 LEU A 73 37.468 39.655 28.364 1.00 49.73 C ATOM 1179 CD2 LEU A 73 37.992 37.893 26.663 1.00 49.73 C ATOM 0 H LEU A 73 35.704 35.787 29.409 1.00 49.53 H new ATOM 0 HA LEU A 73 38.292 35.478 27.977 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.487 37.573 30.045 1.00 49.82 H new ATOM 0 HB3 LEU A 73 38.997 37.530 29.158 1.00 49.82 H new ATOM 0 HG LEU A 73 36.254 37.964 27.907 1.00 49.91 H new ATOM 0 HD11 LEU A 73 37.027 40.273 27.582 1.00 49.73 H new ATOM 0 HD12 LEU A 73 36.959 39.848 29.309 1.00 49.73 H new ATOM 0 HD13 LEU A 73 38.526 39.898 28.465 1.00 49.73 H new ATOM 0 HD21 LEU A 73 37.553 38.521 25.887 1.00 49.73 H new ATOM 0 HD22 LEU A 73 39.058 38.105 26.741 1.00 49.73 H new ATOM 0 HD23 LEU A 73 37.848 36.844 26.405 1.00 49.73 H new ATOM 1191 N ARG A 74 39.619 34.600 29.791 1.00 49.53 N ATOM 1192 CA ARG A 74 40.396 33.836 30.781 1.00 50.07 C ATOM 1193 C ARG A 74 41.296 34.834 31.505 1.00 50.51 C ATOM 1194 O ARG A 74 42.531 34.804 31.354 1.00 49.49 O ATOM 1195 CB ARG A 74 41.185 32.693 30.159 1.00 49.82 C ATOM 1196 CG ARG A 74 41.775 31.707 31.155 1.00 49.82 C ATOM 1197 CD ARG A 74 42.474 30.553 30.533 1.00 50.20 C ATOM 1198 NE ARG A 74 42.999 29.584 31.482 1.00 49.30 N ATOM 1199 CZ ARG A 74 44.197 29.680 32.090 1.00 50.64 C ATOM 1200 NH1 ARG A 74 45.012 30.677 31.824 1.00 49.20 N ATOM 1201 NH2 ARG A 74 44.542 28.732 32.942 1.00 49.20 N ATOM 0 H ARG A 74 40.107 34.759 28.910 1.00 49.53 H new ATOM 0 HA ARG A 74 39.723 33.347 31.485 1.00 50.07 H new ATOM 0 HB2 ARG A 74 40.532 32.150 29.475 1.00 49.82 H new ATOM 0 HB3 ARG A 74 41.995 33.112 29.562 1.00 49.82 H new ATOM 0 HG2 ARG A 74 42.476 32.236 31.800 1.00 49.82 H new ATOM 0 HG3 ARG A 74 40.975 31.331 31.793 1.00 49.82 H new ATOM 0 HD2 ARG A 74 41.783 30.046 29.860 1.00 50.20 H new ATOM 0 HD3 ARG A 74 43.296 30.928 29.923 1.00 50.20 H new ATOM 0 HE ARG A 74 42.419 28.775 31.703 1.00 49.30 H new ATOM 0 HH11 ARG A 74 44.740 31.392 31.149 1.00 49.20 H new ATOM 0 HH12 ARG A 74 45.916 30.736 32.293 1.00 49.20 H new ATOM 0 HH21 ARG A 74 43.907 27.954 33.124 1.00 49.20 H new ATOM 0 HH22 ARG A 74 45.443 28.777 33.418 1.00 49.20 H new ATOM 1215 N GLY A 75 40.652 35.700 32.280 1.00 49.53 N ATOM 1216 CA GLY A 75 41.329 36.723 33.065 1.00 49.98 C ATOM 1217 C GLY A 75 40.447 37.956 33.048 1.00 50.51 C ATOM 1218 O GLY A 75 39.626 38.170 32.138 1.00 49.49 O ATOM 0 H GLY A 75 39.637 35.711 32.381 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.491 36.380 34.087 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.310 36.945 32.644 1.00 49.98 H new ATOM 1222 N GLY A 76 40.523 38.680 34.148 1.00 49.53 N ATOM 1223 CA GLY A 76 39.784 39.930 34.381 1.00 49.98 C ATOM 1224 C GLY A 76 39.418 40.067 35.868 1.00 50.51 C ATOM 1225 O GLY A 76 38.301 40.560 36.120 1.00 49.49 O ATOM 0 H GLY A 76 41.116 38.416 34.935 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.389 40.781 34.069 1.00 49.98 H new ATOM 0 HA3 GLY A 76 38.879 39.943 33.774 1.00 49.98 H new TER 1229 GLY A 76