USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 55 THR OG1 : rot 124:sc= 0.463 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.434 USER MOD Set 2.1: A 7 THR OG1 : rot -68:sc= 0.123 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.348 (180deg=-1.03) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0.962 (180deg=0.816) USER MOD Single : A 2 GLN : amide:sc=-0.00606 X(o=-0.0061,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 160:sc= -0.246 USER MOD Single : A 14 THR OG1 : rot -64:sc= 0.299 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= -0.0127 X(o=-0.013,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 0.314 (180deg=0.294) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0569) USER MOD Single : A 31 GLN : amide:sc=-0.00879 K(o=-0.0088,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= -0.0049 (180deg=-0.0904) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 41 GLN : amide:sc= -4.2! C(o=-4.2!,f=-9!) 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=-0.71) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0275 USER MOD Single : A 60 ASN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.072) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 82:sc= 1.18 USER MOD Single : A 66 THR OG1 : rot 38:sc= 0.223 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.115 24.842 2.718 1.00 49.53 N ATOM 2 CA MET A 1 26.010 25.788 2.953 1.00 50.07 C ATOM 3 C MET A 1 26.651 27.131 3.376 1.00 50.51 C ATOM 4 O MET A 1 27.872 27.187 3.522 1.00 49.49 O ATOM 5 CB MET A 1 25.068 25.265 4.036 1.00 49.82 C ATOM 6 CG MET A 1 24.497 23.881 3.759 1.00 49.86 C ATOM 7 SD MET A 1 23.381 23.317 5.058 1.00 49.91 S ATOM 8 CE MET A 1 21.981 24.402 4.798 1.00 49.78 C ATOM 0 H1 MET A 1 26.740 23.966 2.301 1.00 49.53 H new ATOM 0 H2 MET A 1 27.804 25.268 2.066 1.00 49.53 H new ATOM 0 H3 MET A 1 27.583 24.623 3.621 1.00 49.53 H new ATOM 0 HA MET A 1 25.410 25.915 2.052 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.603 25.240 4.985 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.243 25.968 4.153 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.964 23.896 2.808 1.00 49.86 H new ATOM 0 HG3 MET A 1 25.316 23.169 3.654 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.102 23.985 5.289 1.00 49.78 H new ATOM 0 HE2 MET A 1 22.199 25.384 5.217 1.00 49.78 H new ATOM 0 HE3 MET A 1 21.788 24.498 3.729 1.00 49.78 H new ATOM 18 N GLN A 2 25.799 28.098 3.546 1.00 49.53 N ATOM 19 CA GLN A 2 26.300 29.436 3.995 1.00 50.07 C ATOM 20 C GLN A 2 25.633 29.670 5.342 1.00 50.51 C ATOM 21 O GLN A 2 24.379 29.685 5.490 1.00 49.49 O ATOM 22 CB GLN A 2 25.921 30.536 3.000 1.00 49.82 C ATOM 23 CG GLN A 2 26.486 31.905 3.341 1.00 49.82 C ATOM 24 CD GLN A 2 26.189 32.937 2.269 1.00 50.55 C ATOM 25 OE1 GLN A 2 25.038 33.336 2.074 1.00 49.45 O ATOM 26 NE2 GLN A 2 27.229 33.372 1.565 1.00 49.38 N ATOM 0 H GLN A 2 24.792 28.030 3.398 1.00 49.53 H new ATOM 0 HA GLN A 2 27.388 29.458 4.063 1.00 50.07 H new ATOM 0 HB2 GLN A 2 26.269 30.249 2.008 1.00 49.82 H new ATOM 0 HB3 GLN A 2 24.834 30.606 2.949 1.00 49.82 H new ATOM 0 HG2 GLN A 2 26.069 32.241 4.290 1.00 49.82 H new ATOM 0 HG3 GLN A 2 27.565 31.826 3.477 1.00 49.82 H new ATOM 0 HE21 GLN A 2 28.164 33.014 1.761 1.00 49.38 H new ATOM 0 HE22 GLN A 2 27.093 34.064 0.828 1.00 49.38 H new ATOM 35 N ILE A 3 26.464 29.815 6.363 1.00 49.53 N ATOM 36 CA ILE A 3 25.963 30.192 7.699 1.00 50.07 C ATOM 37 C ILE A 3 26.641 31.512 8.173 1.00 50.51 C ATOM 38 O ILE A 3 27.752 31.733 7.722 1.00 49.49 O ATOM 39 CB ILE A 3 26.221 29.085 8.737 1.00 49.91 C ATOM 40 CG1 ILE A 3 25.749 29.532 10.123 1.00 49.82 C ATOM 41 CG2 ILE A 3 27.697 28.718 8.766 1.00 49.73 C ATOM 42 CD1 ILE A 3 25.692 28.413 11.138 1.00 49.73 C ATOM 0 H ILE A 3 27.474 29.683 6.307 1.00 49.53 H new ATOM 0 HA ILE A 3 24.886 30.337 7.615 1.00 50.07 H new ATOM 0 HB ILE A 3 25.653 28.200 8.450 1.00 49.91 H new ATOM 0 HG12 ILE A 3 26.418 30.310 10.491 1.00 49.82 H new ATOM 0 HG13 ILE A 3 24.759 29.979 10.033 1.00 49.82 H new ATOM 0 HG21 ILE A 3 27.863 27.934 9.505 1.00 49.73 H new ATOM 0 HG22 ILE A 3 28.002 28.360 7.783 1.00 49.73 H new ATOM 0 HG23 ILE A 3 28.285 29.597 9.031 1.00 49.73 H new ATOM 0 HD11 ILE A 3 25.349 28.807 12.095 1.00 49.73 H new ATOM 0 HD12 ILE A 3 25.001 27.644 10.793 1.00 49.73 H new ATOM 0 HD13 ILE A 3 26.685 27.980 11.259 1.00 49.73 H new ATOM 54 N PHE A 4 25.881 32.241 8.955 1.00 49.53 N ATOM 55 CA PHE A 4 26.459 33.537 9.474 1.00 50.07 C ATOM 56 C PHE A 4 26.679 33.571 10.961 1.00 50.51 C ATOM 57 O PHE A 4 25.674 33.407 11.667 1.00 49.49 O ATOM 58 CB PHE A 4 25.562 34.708 9.065 1.00 49.82 C ATOM 59 CG PHE A 4 25.473 34.911 7.579 1.00 50.00 C ATOM 60 CD1 PHE A 4 24.664 34.098 6.801 1.00 49.88 C ATOM 61 CD2 PHE A 4 26.198 35.916 6.957 1.00 49.88 C ATOM 62 CE1 PHE A 4 24.580 34.284 5.434 1.00 49.88 C ATOM 63 CE2 PHE A 4 26.117 36.106 5.592 1.00 49.88 C ATOM 64 CZ PHE A 4 25.306 35.288 4.829 1.00 49.88 C ATOM 0 H PHE A 4 24.930 32.017 9.250 1.00 49.53 H new ATOM 0 HA PHE A 4 27.446 33.621 9.020 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.560 34.542 9.461 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.939 35.621 9.525 1.00 49.82 H new ATOM 0 HD1 PHE A 4 24.092 33.310 7.268 1.00 49.88 H new ATOM 0 HD2 PHE A 4 26.834 36.558 7.548 1.00 49.88 H new ATOM 0 HE1 PHE A 4 23.946 33.643 4.840 1.00 49.88 H new ATOM 0 HE2 PHE A 4 26.687 36.893 5.121 1.00 49.88 H new ATOM 0 HZ PHE A 4 25.241 35.435 3.761 1.00 49.88 H new ATOM 74 N VAL A 5 27.879 33.838 11.466 1.00 49.53 N ATOM 75 CA VAL A 5 28.102 33.966 12.892 1.00 50.07 C ATOM 76 C VAL A 5 28.433 35.439 13.235 1.00 50.51 C ATOM 77 O VAL A 5 29.586 35.767 12.932 1.00 49.49 O ATOM 78 CB VAL A 5 29.249 33.059 13.374 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.402 33.152 14.885 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.002 31.618 12.953 1.00 49.73 C ATOM 0 H VAL A 5 28.716 33.970 10.898 1.00 49.53 H new ATOM 0 HA VAL A 5 27.190 33.655 13.401 1.00 50.07 H new ATOM 0 HB VAL A 5 30.175 33.400 12.911 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.217 32.505 15.209 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.623 34.182 15.166 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.476 32.836 15.365 1.00 49.73 H new ATOM 0 HG21 VAL A 5 29.823 30.991 13.302 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.067 31.267 13.389 1.00 49.73 H new ATOM 0 HG23 VAL A 5 28.940 31.562 11.866 1.00 49.73 H new ATOM 90 N LYS A 6 27.507 36.134 13.799 1.00 49.53 N ATOM 91 CA LYS A 6 27.736 37.584 14.125 1.00 50.07 C ATOM 92 C LYS A 6 28.426 37.694 15.457 1.00 50.51 C ATOM 93 O LYS A 6 27.887 37.227 16.488 1.00 49.49 O ATOM 94 CB LYS A 6 26.413 38.351 14.143 1.00 49.82 C ATOM 95 CG LYS A 6 25.743 38.482 12.781 1.00 49.82 C ATOM 96 CD LYS A 6 24.589 39.472 12.824 1.00 49.82 C ATOM 97 CE LYS A 6 23.918 39.600 11.465 1.00 50.21 C ATOM 98 NZ LYS A 6 22.779 40.559 11.495 1.00 49.70 N ATOM 0 H LYS A 6 26.588 35.774 14.057 1.00 49.53 H new ATOM 0 HA LYS A 6 28.368 38.025 13.355 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.726 37.851 14.826 1.00 49.82 H new ATOM 0 HB3 LYS A 6 26.591 39.349 14.544 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.476 38.807 12.043 1.00 49.82 H new ATOM 0 HG3 LYS A 6 25.377 37.507 12.459 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.857 39.148 13.564 1.00 49.82 H new ATOM 0 HD3 LYS A 6 24.956 40.447 13.144 1.00 49.82 H new ATOM 0 HE2 LYS A 6 24.651 39.930 10.728 1.00 50.21 H new ATOM 0 HE3 LYS A 6 23.560 38.622 11.143 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 22.349 40.617 10.550 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 22.068 40.232 12.179 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 23.124 41.499 11.777 1.00 49.70 H new ATOM 112 N THR A 7 29.623 38.321 15.484 1.00 49.53 N ATOM 113 CA THR A 7 30.354 38.467 16.752 1.00 50.07 C ATOM 114 C THR A 7 29.990 39.681 17.609 1.00 50.51 C ATOM 115 O THR A 7 29.129 40.453 17.178 1.00 49.49 O ATOM 116 CB THR A 7 31.874 38.494 16.504 1.00 50.14 C ATOM 117 OG1 THR A 7 32.210 39.642 15.715 1.00 49.34 O ATOM 118 CG2 THR A 7 32.318 37.234 15.776 1.00 49.73 C ATOM 0 H THR A 7 30.087 38.721 14.669 1.00 49.53 H new ATOM 0 HA THR A 7 30.044 37.591 17.322 1.00 50.07 H new ATOM 0 HB THR A 7 32.384 38.543 17.466 1.00 50.14 H new ATOM 0 HG1 THR A 7 31.842 39.538 14.813 1.00 49.34 H new ATOM 0 HG21 THR A 7 33.395 37.270 15.609 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.074 36.360 16.380 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.804 37.168 14.817 1.00 49.73 H new ATOM 126 N LEU A 8 30.664 39.877 18.721 1.00 49.53 N ATOM 127 CA LEU A 8 30.341 41.004 19.624 1.00 50.07 C ATOM 128 C LEU A 8 30.932 42.346 19.241 1.00 50.51 C ATOM 129 O LEU A 8 30.595 43.368 19.869 1.00 49.49 O ATOM 130 CB LEU A 8 30.762 40.650 21.055 1.00 49.82 C ATOM 131 CG LEU A 8 30.040 39.443 21.669 1.00 49.91 C ATOM 132 CD1 LEU A 8 30.461 39.266 23.121 1.00 49.73 C ATOM 133 CD2 LEU A 8 28.536 39.641 21.563 1.00 49.73 C ATOM 0 H LEU A 8 31.435 39.288 19.036 1.00 49.53 H new ATOM 0 HA LEU A 8 29.262 41.135 19.538 1.00 50.07 H new ATOM 0 HB2 LEU A 8 31.834 40.454 21.063 1.00 49.82 H new ATOM 0 HB3 LEU A 8 30.591 41.518 21.692 1.00 49.82 H new ATOM 0 HG LEU A 8 30.313 38.540 21.123 1.00 49.91 H new ATOM 0 HD11 LEU A 8 29.943 38.407 23.548 1.00 49.73 H new ATOM 0 HD12 LEU A 8 31.537 39.102 23.170 1.00 49.73 H new ATOM 0 HD13 LEU A 8 30.204 40.162 23.686 1.00 49.73 H new ATOM 0 HD21 LEU A 8 28.024 38.783 21.999 1.00 49.73 H new ATOM 0 HD22 LEU A 8 28.249 40.546 22.099 1.00 49.73 H new ATOM 0 HD23 LEU A 8 28.255 39.736 20.514 1.00 49.73 H new ATOM 145 N THR A 9 31.790 42.379 18.203 1.00 49.53 N ATOM 146 CA THR A 9 32.348 43.730 17.862 1.00 50.07 C ATOM 147 C THR A 9 31.412 44.340 16.865 1.00 50.51 C ATOM 148 O THR A 9 31.580 45.494 16.428 1.00 49.49 O ATOM 149 CB THR A 9 33.765 43.642 17.264 1.00 50.14 C ATOM 150 OG1 THR A 9 33.711 42.967 15.999 1.00 49.34 O ATOM 151 CG2 THR A 9 34.692 42.882 18.200 1.00 49.73 C ATOM 0 H THR A 9 32.095 41.590 17.633 1.00 49.53 H new ATOM 0 HA THR A 9 32.432 44.332 18.767 1.00 50.07 H new ATOM 0 HB THR A 9 34.150 44.653 17.129 1.00 50.14 H new ATOM 0 HG1 THR A 9 34.612 42.913 15.618 1.00 49.34 H new ATOM 0 HG21 THR A 9 35.689 42.830 17.762 1.00 49.73 H new ATOM 0 HG22 THR A 9 34.744 43.398 19.159 1.00 49.73 H new ATOM 0 HG23 THR A 9 34.309 41.873 18.351 1.00 49.73 H new ATOM 159 N GLY A 10 30.465 43.596 16.384 1.00 49.53 N ATOM 160 CA GLY A 10 29.489 44.053 15.421 1.00 49.98 C ATOM 161 C GLY A 10 29.960 43.635 14.060 1.00 50.51 C ATOM 162 O GLY A 10 29.514 44.196 13.035 1.00 49.49 O ATOM 0 H GLY A 10 30.339 42.621 16.654 1.00 49.53 H new ATOM 0 HA2 GLY A 10 28.510 43.624 15.635 1.00 49.98 H new ATOM 0 HA3 GLY A 10 29.380 45.136 15.472 1.00 49.98 H new ATOM 166 N LYS A 11 30.898 42.722 14.026 1.00 49.53 N ATOM 167 CA LYS A 11 31.379 42.141 12.781 1.00 50.07 C ATOM 168 C LYS A 11 30.639 40.881 12.275 1.00 50.51 C ATOM 169 O LYS A 11 30.816 39.843 12.904 1.00 49.49 O ATOM 170 CB LYS A 11 32.870 41.827 12.903 1.00 49.82 C ATOM 171 CG LYS A 11 33.780 43.046 12.814 1.00 49.82 C ATOM 172 CD LYS A 11 35.233 42.639 12.626 1.00 49.82 C ATOM 173 CE LYS A 11 36.142 43.857 12.530 1.00 50.21 C ATOM 174 NZ LYS A 11 37.568 43.474 12.341 1.00 49.70 N ATOM 0 H LYS A 11 31.356 42.354 14.860 1.00 49.53 H new ATOM 0 HA LYS A 11 31.174 42.906 12.032 1.00 50.07 H new ATOM 0 HB2 LYS A 11 33.047 41.326 13.855 1.00 49.82 H new ATOM 0 HB3 LYS A 11 33.146 41.124 12.117 1.00 49.82 H new ATOM 0 HG2 LYS A 11 33.466 43.677 11.982 1.00 49.82 H new ATOM 0 HG3 LYS A 11 33.682 43.643 13.721 1.00 49.82 H new ATOM 0 HD2 LYS A 11 35.548 42.013 13.461 1.00 49.82 H new ATOM 0 HD3 LYS A 11 35.330 42.038 11.722 1.00 49.82 H new ATOM 0 HE2 LYS A 11 35.822 44.484 11.698 1.00 50.21 H new ATOM 0 HE3 LYS A 11 36.044 44.455 13.436 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 38.153 44.332 12.280 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 37.882 42.897 13.147 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 37.667 42.925 11.463 1.00 49.70 H new ATOM 188 N THR A 12 29.917 41.025 11.178 1.00 49.53 N ATOM 189 CA THR A 12 29.269 39.822 10.621 1.00 50.07 C ATOM 190 C THR A 12 30.167 39.045 9.660 1.00 50.51 C ATOM 191 O THR A 12 30.597 39.671 8.688 1.00 49.49 O ATOM 192 CB THR A 12 27.960 40.181 9.894 1.00 50.14 C ATOM 193 OG1 THR A 12 27.051 40.795 10.817 1.00 49.34 O ATOM 194 CG2 THR A 12 27.316 38.934 9.307 1.00 49.73 C ATOM 0 H THR A 12 29.762 41.897 10.672 1.00 49.53 H new ATOM 0 HA THR A 12 29.059 39.182 11.478 1.00 50.07 H new ATOM 0 HB THR A 12 28.190 40.874 9.084 1.00 50.14 H new ATOM 0 HG1 THR A 12 26.375 41.303 10.322 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.392 39.207 8.797 1.00 49.73 H new ATOM 0 HG22 THR A 12 28.000 38.472 8.595 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.094 38.228 10.107 1.00 49.73 H new ATOM 202 N ILE A 13 30.346 37.754 9.938 1.00 49.53 N ATOM 203 CA ILE A 13 31.220 37.013 8.983 1.00 50.07 C ATOM 204 C ILE A 13 30.487 35.989 8.162 1.00 50.51 C ATOM 205 O ILE A 13 29.262 35.825 8.323 1.00 49.49 O ATOM 206 CB ILE A 13 32.380 36.317 9.719 1.00 49.91 C ATOM 207 CG1 ILE A 13 31.841 35.416 10.833 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.347 37.346 10.282 1.00 49.73 C ATOM 209 CD1 ILE A 13 32.836 34.389 11.324 1.00 49.73 C ATOM 0 H ILE A 13 29.955 37.231 10.721 1.00 49.53 H new ATOM 0 HA ILE A 13 31.602 37.772 8.301 1.00 50.07 H new ATOM 0 HB ILE A 13 32.920 35.695 9.005 1.00 49.91 H new ATOM 0 HG12 ILE A 13 31.531 36.038 11.673 1.00 49.82 H new ATOM 0 HG13 ILE A 13 30.950 34.901 10.472 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.160 36.836 10.799 1.00 49.73 H new ATOM 0 HG22 ILE A 13 33.754 37.946 9.468 1.00 49.73 H new ATOM 0 HG23 ILE A 13 32.821 37.994 10.983 1.00 49.73 H new ATOM 0 HD11 ILE A 13 32.381 33.789 12.112 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.128 33.741 10.498 1.00 49.73 H new ATOM 0 HD13 ILE A 13 33.718 34.895 11.717 1.00 49.73 H new ATOM 221 N THR A 14 31.152 35.371 7.211 1.00 49.53 N ATOM 222 CA THR A 14 30.423 34.326 6.433 1.00 50.07 C ATOM 223 C THR A 14 31.261 33.081 6.571 1.00 50.51 C ATOM 224 O THR A 14 32.514 33.147 6.477 1.00 49.49 O ATOM 225 CB THR A 14 30.267 34.701 4.948 1.00 50.14 C ATOM 226 OG1 THR A 14 29.367 35.809 4.823 1.00 49.34 O ATOM 227 CG2 THR A 14 29.726 33.521 4.154 1.00 49.73 C ATOM 0 H THR A 14 32.124 35.537 6.951 1.00 49.53 H new ATOM 0 HA THR A 14 29.409 34.200 6.811 1.00 50.07 H new ATOM 0 HB THR A 14 31.246 34.974 4.554 1.00 50.14 H new ATOM 0 HG1 THR A 14 28.475 35.542 5.130 1.00 49.34 H new ATOM 0 HG21 THR A 14 29.622 33.804 3.107 1.00 49.73 H new ATOM 0 HG22 THR A 14 30.415 32.681 4.236 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.752 33.232 4.550 1.00 49.73 H new ATOM 235 N LEU A 15 30.644 31.920 6.720 1.00 49.53 N ATOM 236 CA LEU A 15 31.366 30.675 6.875 1.00 50.07 C ATOM 237 C LEU A 15 30.776 29.658 5.891 1.00 50.51 C ATOM 238 O LEU A 15 29.554 29.633 5.829 1.00 49.49 O ATOM 239 CB LEU A 15 31.264 30.165 8.318 1.00 49.82 C ATOM 240 CG LEU A 15 32.079 30.958 9.348 1.00 49.91 C ATOM 241 CD1 LEU A 15 31.648 30.577 10.758 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.561 30.683 9.145 1.00 49.73 C ATOM 0 H LEU A 15 29.629 31.818 6.736 1.00 49.53 H new ATOM 0 HA LEU A 15 32.424 30.826 6.661 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.216 30.179 8.618 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.589 29.125 8.343 1.00 49.82 H new ATOM 0 HG LEU A 15 31.899 32.024 9.212 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.232 31.145 11.483 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.590 30.802 10.888 1.00 49.73 H new ATOM 0 HD13 LEU A 15 31.814 29.511 10.914 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.139 31.247 9.877 1.00 49.73 H new ATOM 0 HD22 LEU A 15 33.754 29.618 9.272 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.853 30.987 8.140 1.00 49.73 H new ATOM 254 N GLU A 16 31.648 28.862 5.320 1.00 49.53 N ATOM 255 CA GLU A 16 31.108 27.760 4.457 1.00 50.07 C ATOM 256 C GLU A 16 31.292 26.435 5.165 1.00 50.51 C ATOM 257 O GLU A 16 32.417 25.941 5.225 1.00 49.49 O ATOM 258 CB GLU A 16 31.809 27.743 3.096 1.00 49.82 C ATOM 259 CG GLU A 16 31.552 28.976 2.241 1.00 49.72 C ATOM 260 CD GLU A 16 32.337 28.925 0.960 1.00 50.62 C ATOM 261 OE1 GLU A 16 32.188 27.973 0.231 1.00 49.24 O ATOM 262 OE2 GLU A 16 33.001 29.887 0.655 1.00 49.24 O ATOM 0 H GLU A 16 32.663 28.919 5.405 1.00 49.53 H new ATOM 0 HA GLU A 16 30.046 27.932 4.283 1.00 50.07 H new ATOM 0 HB2 GLU A 16 32.883 27.644 3.255 1.00 49.82 H new ATOM 0 HB3 GLU A 16 31.485 26.860 2.545 1.00 49.82 H new ATOM 0 HG2 GLU A 16 30.488 29.050 2.015 1.00 49.72 H new ATOM 0 HG3 GLU A 16 31.822 29.872 2.800 1.00 49.72 H new ATOM 269 N VAL A 17 30.186 26.007 5.752 1.00 49.53 N ATOM 270 CA VAL A 17 30.152 24.773 6.529 1.00 50.07 C ATOM 271 C VAL A 17 29.544 23.674 5.645 1.00 50.51 C ATOM 272 O VAL A 17 29.030 23.932 4.532 1.00 49.49 O ATOM 273 CB VAL A 17 29.319 24.922 7.816 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.001 25.880 8.782 1.00 49.73 C ATOM 275 CG2 VAL A 17 27.916 25.407 7.489 1.00 49.73 C ATOM 0 H VAL A 17 29.293 26.498 5.706 1.00 49.53 H new ATOM 0 HA VAL A 17 31.168 24.520 6.832 1.00 50.07 H new ATOM 0 HB VAL A 17 29.243 23.945 8.293 1.00 49.91 H new ATOM 0 HG11 VAL A 17 29.400 25.974 9.686 1.00 49.73 H new ATOM 0 HG12 VAL A 17 30.987 25.495 9.041 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.105 26.858 8.312 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.342 25.507 8.410 1.00 49.73 H new ATOM 0 HG22 VAL A 17 27.973 26.375 6.990 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.426 24.688 6.832 1.00 49.73 H new ATOM 285 N GLU A 18 29.643 22.483 6.193 1.00 49.53 N ATOM 286 CA GLU A 18 29.047 21.275 5.620 1.00 50.07 C ATOM 287 C GLU A 18 28.105 20.497 6.527 1.00 50.51 C ATOM 288 O GLU A 18 28.120 20.650 7.739 1.00 49.49 O ATOM 289 CB GLU A 18 30.153 20.340 5.126 1.00 49.82 C ATOM 290 CG GLU A 18 31.112 20.974 4.127 1.00 49.72 C ATOM 291 CD GLU A 18 31.983 19.937 3.474 1.00 50.62 C ATOM 292 OE1 GLU A 18 31.857 18.784 3.810 1.00 49.24 O ATOM 293 OE2 GLU A 18 32.694 20.279 2.559 1.00 49.24 O ATOM 0 H GLU A 18 30.146 22.314 7.064 1.00 49.53 H new ATOM 0 HA GLU A 18 28.421 21.639 4.805 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.723 19.986 5.985 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.694 19.465 4.666 1.00 49.82 H new ATOM 0 HG2 GLU A 18 30.546 21.509 3.365 1.00 49.72 H new ATOM 0 HG3 GLU A 18 31.736 21.709 4.635 1.00 49.72 H new ATOM 300 N PRO A 19 27.267 19.663 5.943 1.00 49.71 N ATOM 301 CA PRO A 19 26.341 18.817 6.699 1.00 50.02 C ATOM 302 C PRO A 19 27.057 17.970 7.721 1.00 50.51 C ATOM 303 O PRO A 19 26.468 17.507 8.707 1.00 49.49 O ATOM 304 CB PRO A 19 25.681 17.939 5.613 1.00 49.82 C ATOM 305 CG PRO A 19 25.728 18.813 4.404 1.00 49.82 C ATOM 306 CD PRO A 19 27.142 19.444 4.480 1.00 50.00 C ATOM 0 HA PRO A 19 25.622 19.402 7.272 1.00 50.02 H new ATOM 0 HB2 PRO A 19 26.226 17.008 5.460 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.658 17.670 5.877 1.00 49.82 H new ATOM 0 HG2 PRO A 19 25.591 18.240 3.487 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.946 19.572 4.425 1.00 49.82 H new ATOM 0 HD2 PRO A 19 27.914 18.778 4.094 1.00 50.00 H new ATOM 0 HD3 PRO A 19 27.211 20.374 3.915 1.00 50.00 H new ATOM 314 N SER A 20 28.333 17.704 7.492 1.00 49.53 N ATOM 315 CA SER A 20 29.091 16.841 8.411 1.00 50.07 C ATOM 316 C SER A 20 29.974 17.551 9.411 1.00 50.51 C ATOM 317 O SER A 20 30.299 16.940 10.443 1.00 49.49 O ATOM 318 CB SER A 20 29.927 15.864 7.607 1.00 50.05 C ATOM 319 OG SER A 20 29.134 14.978 6.865 1.00 49.34 O ATOM 0 H SER A 20 28.865 18.060 6.698 1.00 49.53 H new ATOM 0 HA SER A 20 28.334 16.338 9.013 1.00 50.07 H new ATOM 0 HB2 SER A 20 30.581 16.417 6.932 1.00 50.05 H new ATOM 0 HB3 SER A 20 30.570 15.297 8.281 1.00 50.05 H new ATOM 0 HG SER A 20 29.711 14.367 6.360 1.00 49.34 H new ATOM 325 N ASP A 21 30.460 18.740 9.045 1.00 49.53 N ATOM 326 CA ASP A 21 31.348 19.441 10.010 1.00 50.07 C ATOM 327 C ASP A 21 30.936 19.317 11.454 1.00 50.51 C ATOM 328 O ASP A 21 29.778 19.604 11.815 1.00 49.49 O ATOM 329 CB ASP A 21 31.456 20.922 9.639 1.00 49.72 C ATOM 330 CG ASP A 21 32.102 21.185 8.285 1.00 50.62 C ATOM 331 OD1 ASP A 21 32.646 20.266 7.719 1.00 49.24 O ATOM 332 OD2 ASP A 21 31.912 22.255 7.757 1.00 49.24 O ATOM 0 H ASP A 21 30.281 19.218 8.162 1.00 49.53 H new ATOM 0 HA ASP A 21 32.313 18.942 9.929 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.457 21.359 9.643 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.032 21.436 10.409 1.00 49.72 H new ATOM 337 N THR A 22 31.913 19.082 12.313 1.00 49.53 N ATOM 338 CA THR A 22 31.692 19.027 13.740 1.00 50.07 C ATOM 339 C THR A 22 31.874 20.498 14.180 1.00 50.51 C ATOM 340 O THR A 22 32.798 21.167 13.708 1.00 49.49 O ATOM 341 CB THR A 22 32.703 18.119 14.464 1.00 50.14 C ATOM 342 OG1 THR A 22 34.027 18.636 14.283 1.00 49.34 O ATOM 343 CG2 THR A 22 32.635 16.702 13.916 1.00 49.73 C ATOM 0 H THR A 22 32.882 18.924 12.036 1.00 49.53 H new ATOM 0 HA THR A 22 30.717 18.607 13.985 1.00 50.07 H new ATOM 0 HB THR A 22 32.456 18.098 15.525 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.670 18.059 14.745 1.00 49.34 H new ATOM 0 HG21 THR A 22 33.356 16.074 14.439 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.632 16.302 14.064 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.868 16.712 12.851 1.00 49.73 H new ATOM 351 N ILE A 23 30.969 20.893 15.077 1.00 49.53 N ATOM 352 CA ILE A 23 31.039 22.223 15.677 1.00 50.07 C ATOM 353 C ILE A 23 32.431 22.605 16.184 1.00 50.51 C ATOM 354 O ILE A 23 32.766 23.787 16.372 1.00 49.49 O ATOM 355 CB ILE A 23 30.038 22.359 16.839 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.767 23.836 17.140 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.561 21.648 18.078 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.888 24.515 16.114 1.00 49.73 C ATOM 0 H ILE A 23 30.190 20.319 15.400 1.00 49.53 H new ATOM 0 HA ILE A 23 30.785 22.908 14.868 1.00 50.07 H new ATOM 0 HB ILE A 23 29.099 21.889 16.545 1.00 49.91 H new ATOM 0 HG12 ILE A 23 29.296 23.917 18.120 1.00 49.82 H new ATOM 0 HG13 ILE A 23 30.718 24.366 17.198 1.00 49.82 H new ATOM 0 HG21 ILE A 23 29.841 21.754 18.890 1.00 49.73 H new ATOM 0 HG22 ILE A 23 30.705 20.590 17.857 1.00 49.73 H new ATOM 0 HG23 ILE A 23 31.512 22.089 18.377 1.00 49.73 H new ATOM 0 HD11 ILE A 23 28.741 25.558 16.394 1.00 49.73 H new ATOM 0 HD12 ILE A 23 29.366 24.466 15.136 1.00 49.73 H new ATOM 0 HD13 ILE A 23 27.923 24.011 16.071 1.00 49.73 H new ATOM 370 N GLU A 24 33.269 21.614 16.387 1.00 49.53 N ATOM 371 CA GLU A 24 34.679 21.893 16.820 1.00 50.07 C ATOM 372 C GLU A 24 35.313 22.451 15.571 1.00 50.51 C ATOM 373 O GLU A 24 36.081 23.443 15.618 1.00 49.49 O ATOM 374 CB GLU A 24 35.388 20.620 17.288 1.00 49.82 C ATOM 375 CG GLU A 24 36.875 20.793 17.563 1.00 49.72 C ATOM 376 CD GLU A 24 37.432 19.618 18.316 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.681 18.723 18.624 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.627 19.558 18.487 1.00 49.24 O ATOM 0 H GLU A 24 33.039 20.627 16.272 1.00 49.53 H new ATOM 0 HA GLU A 24 34.737 22.572 17.671 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.903 20.261 18.196 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.259 19.847 16.530 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.410 20.910 16.621 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.037 21.705 18.137 1.00 49.72 H new ATOM 385 N ASN A 25 35.050 21.819 14.438 1.00 49.53 N ATOM 386 CA ASN A 25 35.583 22.212 13.128 1.00 50.07 C ATOM 387 C ASN A 25 35.002 23.505 12.557 1.00 50.51 C ATOM 388 O ASN A 25 35.572 24.103 11.622 1.00 49.49 O ATOM 389 CB ASN A 25 35.412 21.092 12.119 1.00 49.82 C ATOM 390 CG ASN A 25 36.306 21.220 10.915 1.00 50.55 C ATOM 391 OD1 ASN A 25 35.977 21.911 9.944 1.00 49.45 O ATOM 392 ND2 ASN A 25 37.394 20.494 10.940 1.00 49.38 N ATOM 0 H ASN A 25 34.446 20.998 14.395 1.00 49.53 H new ATOM 0 HA ASN A 25 36.640 22.409 13.309 1.00 50.07 H new ATOM 0 HB2 ASN A 25 35.612 20.139 12.610 1.00 49.82 H new ATOM 0 HB3 ASN A 25 34.374 21.068 11.788 1.00 49.82 H new ATOM 0 HD21 ASN A 25 38.017 20.481 10.132 1.00 49.38 H new ATOM 0 HD22 ASN A 25 37.619 19.941 11.767 1.00 49.38 H new ATOM 399 N VAL A 26 33.870 23.889 13.128 1.00 49.53 N ATOM 400 CA VAL A 26 33.208 25.120 12.713 1.00 50.07 C ATOM 401 C VAL A 26 33.850 26.259 13.500 1.00 50.51 C ATOM 402 O VAL A 26 34.143 27.329 12.956 1.00 49.49 O ATOM 403 CB VAL A 26 31.692 25.087 12.986 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.075 26.453 12.729 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.020 24.030 12.124 1.00 49.73 C ATOM 0 H VAL A 26 33.395 23.375 13.870 1.00 49.53 H new ATOM 0 HA VAL A 26 33.328 25.251 11.638 1.00 50.07 H new ATOM 0 HB VAL A 26 31.536 24.829 14.034 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.004 26.411 12.927 1.00 49.73 H new ATOM 0 HG12 VAL A 26 31.537 27.190 13.386 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.241 26.738 11.690 1.00 49.73 H new ATOM 0 HG21 VAL A 26 29.950 24.020 12.329 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.186 24.260 11.071 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.443 23.052 12.353 1.00 49.73 H new ATOM 415 N LYS A 27 34.013 26.043 14.799 1.00 49.53 N ATOM 416 CA LYS A 27 34.615 27.067 15.664 1.00 50.07 C ATOM 417 C LYS A 27 36.052 27.277 15.215 1.00 50.51 C ATOM 418 O LYS A 27 36.439 28.441 14.944 1.00 49.49 O ATOM 419 CB LYS A 27 34.565 26.642 17.133 1.00 49.82 C ATOM 420 CG LYS A 27 33.068 26.681 17.607 1.00 49.82 C ATOM 421 CD LYS A 27 33.038 26.408 19.099 1.00 49.82 C ATOM 422 CE LYS A 27 31.603 26.450 19.622 1.00 50.21 C ATOM 423 NZ LYS A 27 31.664 26.157 21.091 1.00 49.70 N ATOM 0 H LYS A 27 33.744 25.184 15.278 1.00 49.53 H new ATOM 0 HA LYS A 27 34.055 27.998 15.579 1.00 50.07 H new ATOM 0 HB2 LYS A 27 34.975 25.639 17.252 1.00 49.82 H new ATOM 0 HB3 LYS A 27 35.174 27.310 17.742 1.00 49.82 H new ATOM 0 HG2 LYS A 27 32.625 27.653 17.389 1.00 49.82 H new ATOM 0 HG3 LYS A 27 32.480 25.935 17.072 1.00 49.82 H new ATOM 0 HD2 LYS A 27 33.478 25.432 19.305 1.00 49.82 H new ATOM 0 HD3 LYS A 27 33.644 27.148 19.622 1.00 49.82 H new ATOM 0 HE2 LYS A 27 31.155 27.427 19.442 1.00 50.21 H new ATOM 0 HE3 LYS A 27 30.983 25.716 19.108 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 30.699 26.075 21.469 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 32.173 25.264 21.246 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 32.162 26.929 21.579 1.00 49.70 H new ATOM 437 N ALA A 28 36.770 26.212 14.924 1.00 49.53 N ATOM 438 CA ALA A 28 38.145 26.311 14.417 1.00 50.07 C ATOM 439 C ALA A 28 38.231 27.094 13.120 1.00 50.51 C ATOM 440 O ALA A 28 39.307 27.707 12.801 1.00 49.49 O ATOM 441 CB ALA A 28 38.745 24.906 14.233 1.00 49.73 C ATOM 0 H ALA A 28 36.431 25.256 15.027 1.00 49.53 H new ATOM 0 HA ALA A 28 38.723 26.860 15.160 1.00 50.07 H new ATOM 0 HB1 ALA A 28 39.764 24.992 13.857 1.00 49.73 H new ATOM 0 HB2 ALA A 28 38.754 24.386 15.191 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.142 24.343 13.521 1.00 49.73 H new ATOM 447 N LYS A 29 37.167 27.158 12.334 1.00 49.53 N ATOM 448 CA LYS A 29 37.158 27.974 11.102 1.00 50.07 C ATOM 449 C LYS A 29 37.297 29.441 11.553 1.00 50.51 C ATOM 450 O LYS A 29 37.919 30.304 10.887 1.00 49.49 O ATOM 451 CB LYS A 29 35.868 27.765 10.308 1.00 49.82 C ATOM 452 CG LYS A 29 35.843 26.492 9.474 1.00 49.82 C ATOM 453 CD LYS A 29 34.694 26.507 8.477 1.00 49.82 C ATOM 454 CE LYS A 29 34.615 25.199 7.701 1.00 50.21 C ATOM 455 NZ LYS A 29 35.803 24.999 6.827 1.00 49.70 N ATOM 0 H LYS A 29 36.295 26.661 12.516 1.00 49.53 H new ATOM 0 HA LYS A 29 37.974 27.687 10.439 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.027 27.747 11.002 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.719 28.620 9.649 1.00 49.82 H new ATOM 0 HG2 LYS A 29 36.788 26.385 8.941 1.00 49.82 H new ATOM 0 HG3 LYS A 29 35.747 25.627 10.130 1.00 49.82 H new ATOM 0 HD2 LYS A 29 33.755 26.676 9.004 1.00 49.82 H new ATOM 0 HD3 LYS A 29 34.824 27.337 7.782 1.00 49.82 H new ATOM 0 HE2 LYS A 29 34.534 24.367 8.400 1.00 50.21 H new ATOM 0 HE3 LYS A 29 33.711 25.192 7.092 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 35.650 24.170 6.217 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 35.945 25.843 6.236 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 36.646 24.844 7.417 1.00 49.70 H new ATOM 469 N ILE A 30 36.770 29.728 12.743 1.00 49.53 N ATOM 470 CA ILE A 30 36.855 31.106 13.262 1.00 50.07 C ATOM 471 C ILE A 30 38.249 31.222 13.894 1.00 50.51 C ATOM 472 O ILE A 30 38.557 32.256 14.529 1.00 49.49 O ATOM 473 CB ILE A 30 35.771 31.404 14.315 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.376 31.291 13.692 1.00 49.82 C ATOM 475 CG2 ILE A 30 35.978 32.786 14.915 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.253 31.303 14.704 1.00 49.73 C ATOM 0 H ILE A 30 36.296 29.060 13.351 1.00 49.53 H new ATOM 0 HA ILE A 30 36.696 31.825 12.458 1.00 50.07 H new ATOM 0 HB ILE A 30 35.852 30.667 15.114 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.232 32.116 12.994 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.321 30.369 13.113 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.203 32.980 15.657 1.00 49.73 H new ATOM 0 HG22 ILE A 30 36.957 32.833 15.392 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.922 33.537 14.127 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.297 31.219 14.187 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.371 30.462 15.388 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.281 32.236 15.267 1.00 49.73 H new ATOM 488 N GLN A 31 39.058 30.196 13.812 1.00 49.53 N ATOM 489 CA GLN A 31 40.422 30.316 14.416 1.00 50.07 C ATOM 490 C GLN A 31 41.411 30.927 13.411 1.00 50.51 C ATOM 491 O GLN A 31 42.114 31.945 13.607 1.00 49.49 O ATOM 492 CB GLN A 31 40.928 28.945 14.875 1.00 49.82 C ATOM 493 CG GLN A 31 42.294 28.976 15.538 1.00 49.82 C ATOM 494 CD GLN A 31 42.873 27.589 15.738 1.00 50.55 C ATOM 495 OE1 GLN A 31 42.288 26.590 15.310 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.026 27.518 16.394 1.00 49.38 N ATOM 0 H GLN A 31 38.843 29.304 13.367 1.00 49.53 H new ATOM 0 HA GLN A 31 40.351 30.975 15.281 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.207 28.519 15.573 1.00 49.82 H new ATOM 0 HB3 GLN A 31 40.970 28.278 14.014 1.00 49.82 H new ATOM 0 HG2 GLN A 31 42.977 29.567 14.928 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.215 29.476 16.503 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.475 28.370 16.730 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.463 26.611 16.561 1.00 49.38 H new ATOM 505 N ASP A 32 41.507 30.251 12.291 1.00 49.53 N ATOM 506 CA ASP A 32 42.403 30.717 11.207 1.00 50.07 C ATOM 507 C ASP A 32 41.927 31.991 10.544 1.00 50.51 C ATOM 508 O ASP A 32 42.705 32.877 10.120 1.00 49.49 O ATOM 509 CB ASP A 32 42.573 29.618 10.153 1.00 49.72 C ATOM 510 CG ASP A 32 43.431 28.443 10.602 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.910 28.472 11.711 1.00 49.24 O ATOM 512 OD2 ASP A 32 43.472 27.462 9.899 1.00 49.24 O ATOM 0 H ASP A 32 40.996 29.392 12.088 1.00 49.53 H new ATOM 0 HA ASP A 32 43.362 30.942 11.675 1.00 50.07 H new ATOM 0 HB2 ASP A 32 41.588 29.246 9.871 1.00 49.72 H new ATOM 0 HB3 ASP A 32 43.016 30.055 9.258 1.00 49.72 H new ATOM 517 N LYS A 33 40.598 32.149 10.392 1.00 49.53 N ATOM 518 CA LYS A 33 40.156 33.360 9.651 1.00 50.07 C ATOM 519 C LYS A 33 40.067 34.564 10.521 1.00 50.51 C ATOM 520 O LYS A 33 40.466 35.670 10.018 1.00 49.49 O ATOM 521 CB LYS A 33 38.806 33.106 8.977 1.00 49.82 C ATOM 522 CG LYS A 33 38.834 32.031 7.899 1.00 49.82 C ATOM 523 CD LYS A 33 37.518 31.975 7.139 1.00 49.82 C ATOM 524 CE LYS A 33 37.539 30.890 6.072 1.00 50.21 C ATOM 525 NZ LYS A 33 38.506 31.198 4.985 1.00 49.70 N ATOM 0 H LYS A 33 39.867 31.524 10.733 1.00 49.53 H new ATOM 0 HA LYS A 33 40.915 33.562 8.895 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.081 32.820 9.739 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.453 34.038 8.535 1.00 49.82 H new ATOM 0 HG2 LYS A 33 39.649 32.231 7.204 1.00 49.82 H new ATOM 0 HG3 LYS A 33 39.035 31.061 8.355 1.00 49.82 H new ATOM 0 HD2 LYS A 33 36.701 31.786 7.836 1.00 49.82 H new ATOM 0 HD3 LYS A 33 37.323 32.941 6.674 1.00 49.82 H new ATOM 0 HE2 LYS A 33 37.800 29.936 6.530 1.00 50.21 H new ATOM 0 HE3 LYS A 33 36.541 30.778 5.649 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 38.382 30.519 4.207 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 38.337 32.162 4.633 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 39.476 31.129 5.354 1.00 49.70 H new ATOM 539 N GLU A 34 39.735 34.508 11.780 1.00 49.53 N ATOM 540 CA GLU A 34 39.637 35.645 12.668 1.00 50.07 C ATOM 541 C GLU A 34 40.670 35.827 13.751 1.00 50.51 C ATOM 542 O GLU A 34 40.883 36.956 14.207 1.00 49.49 O ATOM 543 CB GLU A 34 38.250 35.656 13.316 1.00 49.82 C ATOM 544 CG GLU A 34 37.108 35.941 12.352 1.00 49.72 C ATOM 545 CD GLU A 34 37.178 37.347 11.823 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.366 38.247 12.605 1.00 49.24 O ATOM 547 OE2 GLU A 34 37.157 37.512 10.626 1.00 49.24 O ATOM 0 H GLU A 34 39.513 33.627 12.243 1.00 49.53 H new ATOM 0 HA GLU A 34 39.832 36.482 11.997 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.076 34.690 13.790 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.238 36.406 14.107 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.145 35.236 11.522 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.155 35.788 12.858 1.00 49.72 H new ATOM 554 N GLY A 35 41.416 34.783 14.071 1.00 49.53 N ATOM 555 CA GLY A 35 42.483 34.852 15.034 1.00 49.98 C ATOM 556 C GLY A 35 41.888 34.666 16.375 1.00 50.51 C ATOM 557 O GLY A 35 42.372 35.271 17.368 1.00 49.49 O ATOM 0 H GLY A 35 41.290 33.858 13.661 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.228 34.082 14.836 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.994 35.813 14.972 1.00 49.98 H new ATOM 561 N ILE A 36 40.879 33.787 16.499 1.00 49.53 N ATOM 562 CA ILE A 36 40.277 33.580 17.826 1.00 50.07 C ATOM 563 C ILE A 36 40.434 32.107 18.158 1.00 50.51 C ATOM 564 O ILE A 36 39.875 31.237 17.466 1.00 49.49 O ATOM 565 CB ILE A 36 38.788 33.969 17.855 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.604 35.414 17.384 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.218 33.784 19.253 1.00 49.73 C ATOM 568 CD1 ILE A 36 37.160 35.804 17.163 1.00 49.73 C ATOM 0 H ILE A 36 40.480 33.235 15.740 1.00 49.53 H new ATOM 0 HA ILE A 36 40.778 34.215 18.557 1.00 50.07 H new ATOM 0 HB ILE A 36 38.245 33.314 17.174 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.043 36.086 18.122 1.00 49.82 H new ATOM 0 HG13 ILE A 36 39.156 35.557 16.455 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.164 34.063 19.256 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.318 32.740 19.551 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.763 34.415 19.955 1.00 49.73 H new ATOM 0 HD11 ILE A 36 37.110 36.841 16.831 1.00 49.73 H new ATOM 0 HD12 ILE A 36 36.721 35.158 16.403 1.00 49.73 H new ATOM 0 HD13 ILE A 36 36.607 35.695 18.096 1.00 49.73 H new ATOM 580 N PRO A 37 41.167 31.803 19.222 1.00 49.71 N ATOM 581 CA PRO A 37 41.378 30.421 19.688 1.00 50.02 C ATOM 582 C PRO A 37 40.053 29.735 19.968 1.00 50.51 C ATOM 583 O PRO A 37 39.182 30.369 20.620 1.00 49.49 O ATOM 584 CB PRO A 37 42.133 30.682 21.026 1.00 49.82 C ATOM 585 CG PRO A 37 42.901 31.942 20.753 1.00 49.82 C ATOM 586 CD PRO A 37 41.854 32.816 20.077 1.00 50.00 C ATOM 0 HA PRO A 37 41.899 29.781 18.976 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.442 30.806 21.860 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.796 29.855 21.281 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.279 32.395 21.669 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.761 31.763 20.107 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.177 33.282 20.793 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.300 33.620 19.491 1.00 50.00 H new ATOM 594 N PRO A 38 39.884 28.500 19.568 1.00 49.71 N ATOM 595 CA PRO A 38 38.609 27.802 19.806 1.00 50.02 C ATOM 596 C PRO A 38 38.219 27.745 21.258 1.00 50.51 C ATOM 597 O PRO A 38 37.013 27.765 21.627 1.00 49.49 O ATOM 598 CB PRO A 38 38.815 26.443 19.142 1.00 49.82 C ATOM 599 CG PRO A 38 39.815 26.751 18.031 1.00 49.82 C ATOM 600 CD PRO A 38 40.817 27.660 18.776 1.00 50.00 C ATOM 0 HA PRO A 38 37.753 28.326 19.381 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.206 25.706 19.844 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.882 26.042 18.745 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.288 25.850 17.641 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.349 27.258 17.186 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.501 27.093 19.407 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.428 28.250 18.093 1.00 50.00 H new ATOM 608 N ASP A 39 39.176 27.679 22.151 1.00 49.53 N ATOM 609 CA ASP A 39 38.868 27.564 23.603 1.00 50.07 C ATOM 610 C ASP A 39 38.249 28.845 24.148 1.00 50.51 C ATOM 611 O ASP A 39 37.790 28.935 25.320 1.00 49.49 O ATOM 612 CB ASP A 39 40.133 27.215 24.392 1.00 49.72 C ATOM 613 CG ASP A 39 41.355 28.044 24.019 1.00 50.62 C ATOM 614 OD1 ASP A 39 41.310 29.240 24.183 1.00 49.24 O ATOM 615 OD2 ASP A 39 42.372 27.465 23.724 1.00 49.24 O ATOM 0 H ASP A 39 40.171 27.701 21.928 1.00 49.53 H new ATOM 0 HA ASP A 39 38.140 26.762 23.722 1.00 50.07 H new ATOM 0 HB2 ASP A 39 39.931 27.345 25.455 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.363 26.161 24.238 1.00 49.72 H new ATOM 620 N GLN A 40 38.120 29.848 23.295 1.00 49.53 N ATOM 621 CA GLN A 40 37.500 31.118 23.746 1.00 50.07 C ATOM 622 C GLN A 40 36.163 31.445 23.057 1.00 50.51 C ATOM 623 O GLN A 40 35.702 32.576 23.164 1.00 49.49 O ATOM 624 CB GLN A 40 38.474 32.281 23.530 1.00 49.82 C ATOM 625 CG GLN A 40 39.808 32.114 24.237 1.00 49.82 C ATOM 626 CD GLN A 40 40.768 33.249 23.935 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.437 34.182 23.199 1.00 49.45 O ATOM 628 NE2 GLN A 40 41.967 33.174 24.501 1.00 49.38 N ATOM 0 H GLN A 40 38.418 29.829 22.320 1.00 49.53 H new ATOM 0 HA GLN A 40 37.281 30.981 24.805 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.654 32.396 22.461 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.005 33.202 23.876 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.642 32.059 25.313 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.260 31.169 23.936 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.198 32.384 25.103 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.657 33.907 24.334 1.00 49.38 H new ATOM 637 N GLN A 41 35.552 30.478 22.408 1.00 49.53 N ATOM 638 CA GLN A 41 34.321 30.661 21.679 1.00 50.07 C ATOM 639 C GLN A 41 33.196 29.853 22.292 1.00 50.51 C ATOM 640 O GLN A 41 33.147 28.633 22.297 1.00 49.49 O ATOM 641 CB GLN A 41 34.503 30.262 20.211 1.00 49.82 C ATOM 642 CG GLN A 41 35.491 31.128 19.449 1.00 49.82 C ATOM 643 CD GLN A 41 35.572 30.758 17.980 1.00 50.55 C ATOM 644 OE1 GLN A 41 36.410 31.280 17.240 1.00 49.45 O ATOM 645 NE2 GLN A 41 34.698 29.856 17.549 1.00 49.38 N ATOM 0 H GLN A 41 35.907 29.522 22.373 1.00 49.53 H new ATOM 0 HA GLN A 41 34.058 31.717 21.734 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.836 29.225 20.166 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.536 30.308 19.711 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.200 32.174 19.542 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.478 31.031 19.900 1.00 49.82 H new ATOM 0 HE21 GLN A 41 34.022 29.450 18.197 1.00 49.38 H new ATOM 0 HE22 GLN A 41 34.702 29.569 16.570 1.00 49.38 H new ATOM 654 N ARG A 42 32.139 30.571 22.668 1.00 49.53 N ATOM 655 CA ARG A 42 30.877 29.913 23.129 1.00 50.07 C ATOM 656 C ARG A 42 29.727 30.214 22.192 1.00 50.51 C ATOM 657 O ARG A 42 29.483 31.464 21.954 1.00 49.49 O ATOM 658 CB ARG A 42 30.533 30.275 24.566 1.00 49.82 C ATOM 659 CG ARG A 42 29.203 29.732 25.063 1.00 49.82 C ATOM 660 CD ARG A 42 28.894 30.066 26.476 1.00 50.20 C ATOM 661 NE ARG A 42 28.537 31.457 26.703 1.00 49.30 N ATOM 662 CZ ARG A 42 28.561 32.069 27.903 1.00 50.64 C ATOM 663 NH1 ARG A 42 28.886 31.408 28.993 1.00 49.20 N ATOM 664 NH2 ARG A 42 28.223 33.345 27.961 1.00 49.20 N ATOM 0 H ARG A 42 32.111 31.591 22.670 1.00 49.53 H new ATOM 0 HA ARG A 42 31.052 28.837 23.108 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.325 29.907 25.218 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.523 31.361 24.659 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.406 30.119 24.428 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.202 28.648 24.950 1.00 49.82 H new ATOM 0 HD2 ARG A 42 28.073 29.434 26.814 1.00 50.20 H new ATOM 0 HD3 ARG A 42 29.760 29.821 27.092 1.00 50.20 H new ATOM 0 HE ARG A 42 28.248 32.009 25.896 1.00 49.30 H new ATOM 0 HH11 ARG A 42 29.124 30.418 28.937 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.900 31.886 29.894 1.00 49.20 H new ATOM 0 HH21 ARG A 42 27.953 33.840 27.111 1.00 49.20 H new ATOM 0 HH22 ARG A 42 28.232 33.835 28.856 1.00 49.20 H new ATOM 678 N LEU A 43 29.084 29.208 21.602 1.00 49.53 N ATOM 679 CA LEU A 43 27.986 29.466 20.634 1.00 50.07 C ATOM 680 C LEU A 43 26.652 29.173 21.311 1.00 50.51 C ATOM 681 O LEU A 43 26.584 28.240 22.122 1.00 49.49 O ATOM 682 CB LEU A 43 28.162 28.600 19.379 1.00 49.82 C ATOM 683 CG LEU A 43 29.329 29.000 18.468 1.00 49.91 C ATOM 684 CD1 LEU A 43 29.448 28.018 17.311 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.114 30.415 17.955 1.00 49.73 C ATOM 0 H LEU A 43 29.288 28.222 21.763 1.00 49.53 H new ATOM 0 HA LEU A 43 28.010 30.510 20.322 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.302 27.564 19.688 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.240 28.637 18.799 1.00 49.82 H new ATOM 0 HG LEU A 43 30.259 28.972 19.036 1.00 49.91 H new ATOM 0 HD11 LEU A 43 30.279 28.310 16.670 1.00 49.73 H new ATOM 0 HD12 LEU A 43 29.626 27.016 17.701 1.00 49.73 H new ATOM 0 HD13 LEU A 43 28.524 28.024 16.733 1.00 49.73 H new ATOM 0 HD21 LEU A 43 29.944 30.697 17.308 1.00 49.73 H new ATOM 0 HD22 LEU A 43 28.183 30.460 17.391 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.061 31.104 18.798 1.00 49.73 H new ATOM 697 N ILE A 44 25.666 30.022 21.037 1.00 49.53 N ATOM 698 CA ILE A 44 24.341 29.920 21.638 1.00 50.07 C ATOM 699 C ILE A 44 23.319 29.743 20.521 1.00 50.51 C ATOM 700 O ILE A 44 23.317 30.440 19.527 1.00 49.49 O ATOM 701 CB ILE A 44 23.989 31.167 22.469 1.00 49.91 C ATOM 702 CG1 ILE A 44 24.790 31.184 23.773 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.495 31.209 22.758 1.00 49.73 C ATOM 704 CD1 ILE A 44 26.219 31.650 23.606 1.00 49.73 C ATOM 0 H ILE A 44 25.765 30.803 20.389 1.00 49.53 H new ATOM 0 HA ILE A 44 24.331 29.066 22.315 1.00 50.07 H new ATOM 0 HB ILE A 44 24.253 32.053 21.892 1.00 49.91 H new ATOM 0 HG12 ILE A 44 24.287 31.834 24.489 1.00 49.82 H new ATOM 0 HG13 ILE A 44 24.792 30.181 24.200 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.263 32.097 23.346 1.00 49.73 H new ATOM 0 HG22 ILE A 44 21.943 31.242 21.818 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.207 30.318 23.316 1.00 49.73 H new ATOM 0 HD11 ILE A 44 26.722 31.635 24.573 1.00 49.73 H new ATOM 0 HD12 ILE A 44 26.740 30.986 22.916 1.00 49.73 H new ATOM 0 HD13 ILE A 44 26.227 32.665 23.209 1.00 49.73 H new ATOM 716 N PHE A 45 22.401 28.767 20.745 1.00 49.53 N ATOM 717 CA PHE A 45 21.313 28.499 19.791 1.00 50.07 C ATOM 718 C PHE A 45 20.164 27.730 20.469 1.00 50.51 C ATOM 719 O PHE A 45 20.330 26.633 21.002 1.00 49.49 O ATOM 720 CB PHE A 45 21.837 27.713 18.588 1.00 49.82 C ATOM 721 CG PHE A 45 20.811 27.494 17.514 1.00 50.00 C ATOM 722 CD1 PHE A 45 19.940 26.416 17.576 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.712 28.365 16.440 1.00 49.88 C ATOM 724 CE1 PHE A 45 18.996 26.211 16.588 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.768 28.163 15.450 1.00 49.88 C ATOM 726 CZ PHE A 45 18.910 27.087 15.525 1.00 49.88 C ATOM 0 H PHE A 45 22.398 28.165 21.568 1.00 49.53 H new ATOM 0 HA PHE A 45 20.926 29.457 19.443 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.688 28.244 18.162 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.204 26.745 18.930 1.00 49.82 H new ATOM 0 HD1 PHE A 45 20.001 25.729 18.407 1.00 49.88 H new ATOM 0 HD2 PHE A 45 21.380 29.211 16.376 1.00 49.88 H new ATOM 0 HE1 PHE A 45 18.326 25.366 16.648 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.703 28.848 14.618 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.171 26.930 14.753 1.00 49.88 H new ATOM 736 N ALA A 46 19.069 28.447 20.555 1.00 49.53 N ATOM 737 CA ALA A 46 17.804 27.928 21.111 1.00 50.07 C ATOM 738 C ALA A 46 17.717 27.863 22.629 1.00 50.51 C ATOM 739 O ALA A 46 16.991 27.041 23.208 1.00 49.49 O ATOM 740 CB ALA A 46 17.519 26.577 20.536 1.00 49.73 C ATOM 0 H ALA A 46 19.012 29.417 20.244 1.00 49.53 H new ATOM 0 HA ALA A 46 17.052 28.661 20.819 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.585 26.196 20.948 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.433 26.654 19.452 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.331 25.895 20.788 1.00 49.73 H new ATOM 746 N GLY A 47 18.439 28.753 23.246 1.00 49.53 N ATOM 747 CA GLY A 47 18.588 28.957 24.656 1.00 49.98 C ATOM 748 C GLY A 47 19.502 28.012 25.392 1.00 50.51 C ATOM 749 O GLY A 47 19.841 28.272 26.569 1.00 49.49 O ATOM 0 H GLY A 47 18.996 29.424 22.716 1.00 49.53 H new ATOM 0 HA2 GLY A 47 18.952 29.972 24.815 1.00 49.98 H new ATOM 0 HA3 GLY A 47 17.600 28.897 25.113 1.00 49.98 H new ATOM 753 N LYS A 48 19.956 26.971 24.750 1.00 49.53 N ATOM 754 CA LYS A 48 20.892 26.015 25.357 1.00 50.07 C ATOM 755 C LYS A 48 22.357 26.202 24.921 1.00 50.51 C ATOM 756 O LYS A 48 22.585 26.428 23.742 1.00 49.49 O ATOM 757 CB LYS A 48 20.447 24.584 25.052 1.00 49.82 C ATOM 758 CG LYS A 48 19.170 24.157 25.765 1.00 49.82 C ATOM 759 CD LYS A 48 19.425 23.875 27.238 1.00 49.82 C ATOM 760 CE LYS A 48 18.157 23.420 27.943 1.00 50.21 C ATOM 761 NZ LYS A 48 18.367 23.234 29.404 1.00 49.70 N ATOM 0 H LYS A 48 19.698 26.746 23.789 1.00 49.53 H new ATOM 0 HA LYS A 48 20.864 26.211 26.429 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.299 24.484 23.977 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.249 23.900 25.329 1.00 49.82 H new ATOM 0 HG2 LYS A 48 18.418 24.940 25.668 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.765 23.265 25.287 1.00 49.82 H new ATOM 0 HD2 LYS A 48 20.193 23.107 27.336 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.809 24.773 27.721 1.00 49.82 H new ATOM 0 HE2 LYS A 48 17.369 24.155 27.781 1.00 50.21 H new ATOM 0 HE3 LYS A 48 17.814 22.483 27.504 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 17.478 22.924 29.846 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 19.101 22.514 29.560 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 18.669 24.134 29.829 1.00 49.70 H new ATOM 775 N GLN A 49 23.282 26.096 25.836 1.00 49.53 N ATOM 776 CA GLN A 49 24.722 26.147 25.455 1.00 50.07 C ATOM 777 C GLN A 49 25.099 24.907 24.649 1.00 50.51 C ATOM 778 O GLN A 49 24.902 23.774 25.162 1.00 49.49 O ATOM 779 CB GLN A 49 25.607 26.248 26.700 1.00 49.82 C ATOM 780 CG GLN A 49 27.091 26.366 26.401 1.00 49.82 C ATOM 781 CD GLN A 49 27.940 26.320 27.657 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.418 26.262 28.774 1.00 49.45 O ATOM 783 NE2 GLN A 49 29.256 26.347 27.482 1.00 49.38 N ATOM 0 H GLN A 49 23.102 25.976 26.833 1.00 49.53 H new ATOM 0 HA GLN A 49 24.882 27.033 24.841 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.296 27.114 27.284 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.442 25.368 27.322 1.00 49.82 H new ATOM 0 HG2 GLN A 49 27.390 25.557 25.734 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.279 27.301 25.873 1.00 49.82 H new ATOM 0 HE21 GLN A 49 29.644 26.395 26.540 1.00 49.38 H new ATOM 0 HE22 GLN A 49 29.879 26.320 28.290 1.00 49.38 H new ATOM 792 N LEU A 50 25.572 25.081 23.439 1.00 49.53 N ATOM 793 CA LEU A 50 25.883 23.954 22.544 1.00 50.07 C ATOM 794 C LEU A 50 27.222 23.423 23.027 1.00 50.51 C ATOM 795 O LEU A 50 27.992 24.211 23.539 1.00 49.49 O ATOM 796 CB LEU A 50 25.957 24.414 21.082 1.00 49.82 C ATOM 797 CG LEU A 50 24.612 24.469 20.347 1.00 49.91 C ATOM 798 CD1 LEU A 50 23.677 25.451 21.040 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.841 24.873 18.898 1.00 49.73 C ATOM 0 H LEU A 50 25.757 25.998 23.033 1.00 49.53 H new ATOM 0 HA LEU A 50 25.111 23.185 22.573 1.00 50.07 H new ATOM 0 HB2 LEU A 50 26.410 25.405 21.052 1.00 49.82 H new ATOM 0 HB3 LEU A 50 26.622 23.742 20.540 1.00 49.82 H new ATOM 0 HG LEU A 50 24.146 23.484 20.367 1.00 49.91 H new ATOM 0 HD11 LEU A 50 22.725 25.483 20.510 1.00 49.73 H new ATOM 0 HD12 LEU A 50 23.510 25.130 22.068 1.00 49.73 H new ATOM 0 HD13 LEU A 50 24.126 26.444 21.038 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.885 24.912 18.376 1.00 49.73 H new ATOM 0 HD22 LEU A 50 25.313 25.855 18.864 1.00 49.73 H new ATOM 0 HD23 LEU A 50 25.489 24.142 18.415 1.00 49.73 H new ATOM 811 N GLU A 51 27.464 22.123 22.851 1.00 49.53 N ATOM 812 CA GLU A 51 28.722 21.519 23.339 1.00 50.07 C ATOM 813 C GLU A 51 29.662 21.107 22.241 1.00 50.51 C ATOM 814 O GLU A 51 29.198 20.716 21.172 1.00 49.49 O ATOM 815 CB GLU A 51 28.415 20.316 24.232 1.00 49.82 C ATOM 816 CG GLU A 51 27.918 20.675 25.626 1.00 49.72 C ATOM 817 CD GLU A 51 27.966 19.488 26.546 1.00 50.62 C ATOM 818 OE1 GLU A 51 28.303 18.421 26.092 1.00 49.24 O ATOM 819 OE2 GLU A 51 27.774 19.668 27.726 1.00 49.24 O ATOM 0 H GLU A 51 26.828 21.475 22.387 1.00 49.53 H new ATOM 0 HA GLU A 51 29.231 22.297 23.908 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.664 19.697 23.741 1.00 49.82 H new ATOM 0 HB3 GLU A 51 29.316 19.710 24.326 1.00 49.82 H new ATOM 0 HG2 GLU A 51 28.528 21.480 26.036 1.00 49.72 H new ATOM 0 HG3 GLU A 51 26.896 21.049 25.565 1.00 49.72 H new ATOM 826 N ASP A 52 30.954 21.239 22.408 1.00 49.53 N ATOM 827 CA ASP A 52 31.984 20.966 21.410 1.00 50.07 C ATOM 828 C ASP A 52 31.844 19.784 20.467 1.00 50.51 C ATOM 829 O ASP A 52 32.211 19.924 19.266 1.00 49.49 O ATOM 830 CB ASP A 52 33.340 20.861 22.111 1.00 49.72 C ATOM 831 CG ASP A 52 33.887 22.187 22.624 1.00 50.62 C ATOM 832 OD1 ASP A 52 34.175 23.041 21.819 1.00 49.24 O ATOM 833 OD2 ASP A 52 33.866 22.394 23.813 1.00 49.24 O ATOM 0 H ASP A 52 31.349 21.558 23.293 1.00 49.53 H new ATOM 0 HA ASP A 52 31.870 21.817 20.739 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.249 20.170 22.949 1.00 49.72 H new ATOM 0 HB3 ASP A 52 34.061 20.428 21.418 1.00 49.72 H new ATOM 838 N GLY A 53 31.491 18.627 20.982 1.00 49.53 N ATOM 839 CA GLY A 53 31.370 17.375 20.213 1.00 49.98 C ATOM 840 C GLY A 53 30.204 17.130 19.314 1.00 50.51 C ATOM 841 O GLY A 53 29.958 15.981 18.881 1.00 49.49 O ATOM 0 H GLY A 53 31.271 18.511 21.971 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.268 17.289 19.601 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.395 16.556 20.932 1.00 49.98 H new ATOM 845 N ARG A 54 29.225 18.026 19.264 1.00 49.53 N ATOM 846 CA ARG A 54 28.077 17.890 18.343 1.00 50.07 C ATOM 847 C ARG A 54 28.311 18.396 16.927 1.00 50.51 C ATOM 848 O ARG A 54 29.164 19.280 16.702 1.00 49.49 O ATOM 849 CB ARG A 54 26.818 18.511 18.931 1.00 49.82 C ATOM 850 CG ARG A 54 26.610 18.252 20.415 1.00 49.82 C ATOM 851 CD ARG A 54 26.671 16.820 20.801 1.00 50.20 C ATOM 852 NE ARG A 54 25.640 15.989 20.202 1.00 49.30 N ATOM 853 CZ ARG A 54 24.398 15.832 20.700 1.00 50.64 C ATOM 854 NH1 ARG A 54 24.040 16.415 21.822 1.00 49.20 N ATOM 855 NH2 ARG A 54 23.555 15.055 20.041 1.00 49.20 N ATOM 0 H ARG A 54 29.194 18.861 19.848 1.00 49.53 H new ATOM 0 HA ARG A 54 27.943 16.813 18.241 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.850 19.588 18.766 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.954 18.131 18.386 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.367 18.800 20.977 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.641 18.654 20.709 1.00 49.82 H new ATOM 0 HD2 ARG A 54 27.647 16.423 20.522 1.00 50.20 H new ATOM 0 HD3 ARG A 54 26.595 16.746 21.886 1.00 50.20 H new ATOM 0 HE ARG A 54 25.873 15.489 19.344 1.00 49.30 H new ATOM 0 HH11 ARG A 54 24.706 16.997 22.330 1.00 49.20 H new ATOM 0 HH12 ARG A 54 23.096 16.286 22.185 1.00 49.20 H new ATOM 0 HH21 ARG A 54 23.852 14.594 19.181 1.00 49.20 H new ATOM 0 HH22 ARG A 54 22.608 14.916 20.393 1.00 49.20 H new ATOM 869 N THR A 55 27.514 17.927 15.999 1.00 49.53 N ATOM 870 CA THR A 55 27.554 18.351 14.581 1.00 50.07 C ATOM 871 C THR A 55 26.429 19.383 14.328 1.00 50.51 C ATOM 872 O THR A 55 25.587 19.606 15.190 1.00 49.49 O ATOM 873 CB THR A 55 27.382 17.159 13.622 1.00 50.14 C ATOM 874 OG1 THR A 55 26.174 16.457 13.940 1.00 49.34 O ATOM 875 CG2 THR A 55 28.563 16.207 13.737 1.00 49.73 C ATOM 0 H THR A 55 26.798 17.226 16.190 1.00 49.53 H new ATOM 0 HA THR A 55 28.530 18.795 14.388 1.00 50.07 H new ATOM 0 HB THR A 55 27.332 17.538 12.601 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.604 16.410 13.144 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.424 15.371 13.052 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.482 16.735 13.483 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.630 15.832 14.758 1.00 49.73 H new ATOM 883 N LEU A 56 26.450 19.965 13.146 1.00 49.53 N ATOM 884 CA LEU A 56 25.416 20.926 12.723 1.00 50.07 C ATOM 885 C LEU A 56 24.105 20.183 12.486 1.00 50.51 C ATOM 886 O LEU A 56 23.073 20.763 12.690 1.00 49.49 O ATOM 887 CB LEU A 56 25.859 21.665 11.452 1.00 49.82 C ATOM 888 CG LEU A 56 26.518 23.029 11.687 1.00 49.91 C ATOM 889 CD1 LEU A 56 26.981 23.143 13.133 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.689 23.199 10.731 1.00 49.73 C ATOM 0 H LEU A 56 27.173 19.796 12.446 1.00 49.53 H new ATOM 0 HA LEU A 56 25.269 21.668 13.508 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.558 21.031 10.907 1.00 49.82 H new ATOM 0 HB3 LEU A 56 24.989 21.805 10.810 1.00 49.82 H new ATOM 0 HG LEU A 56 25.793 23.821 11.498 1.00 49.91 H new ATOM 0 HD11 LEU A 56 27.448 24.115 13.290 1.00 49.73 H new ATOM 0 HD12 LEU A 56 26.124 23.040 13.799 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.703 22.355 13.347 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.157 24.169 10.898 1.00 49.73 H new ATOM 0 HD22 LEU A 56 28.419 22.409 10.906 1.00 49.73 H new ATOM 0 HD23 LEU A 56 27.331 23.141 9.703 1.00 49.73 H new ATOM 902 N SER A 57 24.182 18.867 12.202 1.00 49.53 N ATOM 903 CA SER A 57 22.907 18.146 11.960 1.00 50.07 C ATOM 904 C SER A 57 22.193 17.843 13.258 1.00 50.51 C ATOM 905 O SER A 57 20.925 17.822 13.302 1.00 49.49 O ATOM 906 CB SER A 57 23.169 16.866 11.191 1.00 50.05 C ATOM 907 OG SER A 57 24.101 16.044 11.838 1.00 49.34 O ATOM 0 H SER A 57 25.037 18.314 12.137 1.00 49.53 H new ATOM 0 HA SER A 57 22.261 18.792 11.366 1.00 50.07 H new ATOM 0 HB2 SER A 57 22.233 16.322 11.064 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.533 17.111 10.193 1.00 50.05 H new ATOM 0 HG SER A 57 24.240 15.230 11.311 1.00 49.34 H new ATOM 913 N ASP A 58 22.944 17.651 14.328 1.00 49.53 N ATOM 914 CA ASP A 58 22.344 17.352 15.655 1.00 50.07 C ATOM 915 C ASP A 58 21.311 18.413 16.048 1.00 50.51 C ATOM 916 O ASP A 58 20.311 18.146 16.722 1.00 49.49 O ATOM 917 CB ASP A 58 23.433 17.255 16.726 1.00 49.72 C ATOM 918 CG ASP A 58 24.399 16.093 16.539 1.00 50.62 C ATOM 919 OD1 ASP A 58 24.221 15.342 15.609 1.00 49.24 O ATOM 920 OD2 ASP A 58 25.391 16.055 17.226 1.00 49.24 O ATOM 0 H ASP A 58 23.963 17.692 14.325 1.00 49.53 H new ATOM 0 HA ASP A 58 21.834 16.392 15.581 1.00 50.07 H new ATOM 0 HB2 ASP A 58 24.001 18.185 16.735 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.958 17.163 17.703 1.00 49.72 H new ATOM 925 N TYR A 59 21.662 19.642 15.806 1.00 49.53 N ATOM 926 CA TYR A 59 20.824 20.807 16.087 1.00 50.07 C ATOM 927 C TYR A 59 19.985 21.251 14.912 1.00 50.51 C ATOM 928 O TYR A 59 19.495 22.397 14.948 1.00 49.49 O ATOM 929 CB TYR A 59 21.691 21.973 16.568 1.00 49.82 C ATOM 930 CG TYR A 59 22.359 21.730 17.903 1.00 50.00 C ATOM 931 CD1 TYR A 59 21.654 21.875 19.089 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.694 21.357 17.974 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.259 21.655 20.311 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.310 21.134 19.192 1.00 49.88 C ATOM 935 CZ TYR A 59 23.588 21.285 20.358 1.00 50.11 C ATOM 936 OH TYR A 59 24.196 21.064 21.573 1.00 49.46 O ATOM 0 H TYR A 59 22.563 19.886 15.395 1.00 49.53 H new ATOM 0 HA TYR A 59 20.129 20.499 16.868 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.458 22.175 15.820 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.072 22.868 16.640 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.614 22.165 19.056 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.261 21.239 17.063 1.00 49.88 H new ATOM 0 HE1 TYR A 59 21.695 21.772 21.225 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.350 20.844 19.230 1.00 49.88 H new ATOM 0 HH TYR A 59 25.132 20.810 21.429 1.00 49.46 H new ATOM 946 N ASN A 60 19.758 20.455 13.889 1.00 49.53 N ATOM 947 CA ASN A 60 18.930 20.931 12.761 1.00 50.07 C ATOM 948 C ASN A 60 19.370 22.232 12.104 1.00 50.51 C ATOM 949 O ASN A 60 18.535 23.059 11.684 1.00 49.49 O ATOM 950 CB ASN A 60 17.476 21.051 13.181 1.00 49.82 C ATOM 951 CG ASN A 60 16.762 19.731 13.273 1.00 50.55 C ATOM 952 OD1 ASN A 60 16.568 19.036 12.269 1.00 49.45 O ATOM 953 ND2 ASN A 60 16.297 19.420 14.456 1.00 49.38 N ATOM 0 H ASN A 60 20.114 19.503 13.798 1.00 49.53 H new ATOM 0 HA ASN A 60 19.066 20.164 11.998 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.427 21.549 14.149 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.953 21.688 12.468 1.00 49.82 H new ATOM 0 HD21 ASN A 60 15.747 18.570 14.580 1.00 49.38 H new ATOM 0 HD22 ASN A 60 16.485 20.027 15.254 1.00 49.38 H new ATOM 960 N ILE A 61 20.664 22.406 11.933 1.00 49.53 N ATOM 961 CA ILE A 61 21.200 23.603 11.217 1.00 50.07 C ATOM 962 C ILE A 61 20.880 23.710 9.728 1.00 50.51 C ATOM 963 O ILE A 61 21.425 22.832 8.995 1.00 49.49 O ATOM 964 CB ILE A 61 22.727 23.697 11.386 1.00 49.91 C ATOM 965 CG1 ILE A 61 23.095 23.789 12.868 1.00 49.82 C ATOM 966 CG2 ILE A 61 23.273 24.895 10.624 1.00 49.73 C ATOM 967 CD1 ILE A 61 22.708 25.099 13.514 1.00 49.73 C ATOM 0 H ILE A 61 21.377 21.757 12.266 1.00 49.53 H new ATOM 0 HA ILE A 61 20.676 24.431 11.695 1.00 50.07 H new ATOM 0 HB ILE A 61 23.178 22.794 10.975 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.610 22.973 13.404 1.00 49.82 H new ATOM 0 HG13 ILE A 61 24.170 23.646 12.975 1.00 49.82 H new ATOM 0 HG21 ILE A 61 24.354 24.947 10.754 1.00 49.73 H new ATOM 0 HG22 ILE A 61 23.040 24.790 9.565 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.817 25.808 11.007 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.002 25.088 14.564 1.00 49.73 H new ATOM 0 HD12 ILE A 61 23.214 25.919 13.005 1.00 49.73 H new ATOM 0 HD13 ILE A 61 21.629 25.236 13.440 1.00 49.73 H new ATOM 979 N GLN A 62 20.095 24.667 9.325 1.00 49.53 N ATOM 980 CA GLN A 62 19.656 24.833 7.908 1.00 50.07 C ATOM 981 C GLN A 62 20.124 26.159 7.301 1.00 50.51 C ATOM 982 O GLN A 62 20.738 26.977 8.009 1.00 49.49 O ATOM 983 CB GLN A 62 18.131 24.737 7.809 1.00 49.82 C ATOM 984 CG GLN A 62 17.559 23.415 8.290 1.00 49.82 C ATOM 985 CD GLN A 62 17.925 22.259 7.378 1.00 50.55 C ATOM 986 OE1 GLN A 62 17.703 22.314 6.165 1.00 49.45 O ATOM 987 NE2 GLN A 62 18.483 21.203 7.958 1.00 49.38 N ATOM 0 H GLN A 62 19.720 25.378 9.953 1.00 49.53 H new ATOM 0 HA GLN A 62 20.118 24.026 7.339 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.689 25.545 8.391 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.835 24.893 6.772 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.924 23.209 9.296 1.00 49.82 H new ATOM 0 HG3 GLN A 62 16.474 23.494 8.354 1.00 49.82 H new ATOM 0 HE21 GLN A 62 18.648 21.202 8.965 1.00 49.38 H new ATOM 0 HE22 GLN A 62 18.747 20.393 7.397 1.00 49.38 H new ATOM 996 N LYS A 63 19.891 26.363 6.007 1.00 49.53 N ATOM 997 CA LYS A 63 20.343 27.547 5.310 1.00 50.07 C ATOM 998 C LYS A 63 19.798 28.817 5.959 1.00 50.51 C ATOM 999 O LYS A 63 18.665 28.907 6.403 1.00 49.49 O ATOM 1000 CB LYS A 63 19.930 27.491 3.837 1.00 49.82 C ATOM 1001 CG LYS A 63 20.631 28.509 2.948 1.00 49.82 C ATOM 1002 CD LYS A 63 20.022 28.539 1.554 1.00 49.82 C ATOM 1003 CE LYS A 63 20.743 29.533 0.656 1.00 50.21 C ATOM 1004 NZ LYS A 63 20.160 29.571 -0.712 1.00 49.70 N ATOM 0 H LYS A 63 19.381 25.705 5.417 1.00 49.53 H new ATOM 0 HA LYS A 63 21.431 27.574 5.374 1.00 50.07 H new ATOM 0 HB2 LYS A 63 20.133 26.491 3.453 1.00 49.82 H new ATOM 0 HB3 LYS A 63 18.853 27.647 3.768 1.00 49.82 H new ATOM 0 HG2 LYS A 63 20.560 29.499 3.399 1.00 49.82 H new ATOM 0 HG3 LYS A 63 21.691 28.265 2.879 1.00 49.82 H new ATOM 0 HD2 LYS A 63 20.072 27.544 1.112 1.00 49.82 H new ATOM 0 HD3 LYS A 63 18.967 28.805 1.621 1.00 49.82 H new ATOM 0 HE2 LYS A 63 20.691 30.527 1.100 1.00 50.21 H new ATOM 0 HE3 LYS A 63 21.798 29.266 0.593 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 20.680 30.260 -1.292 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 20.232 28.629 -1.146 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 19.160 29.850 -0.655 1.00 49.70 H new ATOM 1018 N GLU A 64 20.716 29.792 6.027 1.00 49.53 N ATOM 1019 CA GLU A 64 20.495 31.104 6.576 1.00 50.07 C ATOM 1020 C GLU A 64 20.208 31.155 8.048 1.00 50.51 C ATOM 1021 O GLU A 64 19.402 31.980 8.545 1.00 49.49 O ATOM 1022 CB GLU A 64 19.361 31.798 5.819 1.00 49.82 C ATOM 1023 CG GLU A 64 19.506 31.768 4.303 1.00 49.72 C ATOM 1024 CD GLU A 64 18.372 32.491 3.631 1.00 50.62 C ATOM 1025 OE1 GLU A 64 18.313 33.692 3.739 1.00 49.24 O ATOM 1026 OE2 GLU A 64 17.630 31.858 2.918 1.00 49.24 O ATOM 0 H GLU A 64 21.667 29.665 5.682 1.00 49.53 H new ATOM 0 HA GLU A 64 21.446 31.621 6.448 1.00 50.07 H new ATOM 0 HB2 GLU A 64 18.417 31.326 6.091 1.00 49.82 H new ATOM 0 HB3 GLU A 64 19.304 32.836 6.146 1.00 49.82 H new ATOM 0 HG2 GLU A 64 20.453 32.226 4.017 1.00 49.72 H new ATOM 0 HG3 GLU A 64 19.536 30.734 3.959 1.00 49.72 H new ATOM 1033 N SER A 65 20.976 30.374 8.790 1.00 49.53 N ATOM 1034 CA SER A 65 20.938 30.356 10.258 1.00 50.07 C ATOM 1035 C SER A 65 21.825 31.528 10.739 1.00 50.51 C ATOM 1036 O SER A 65 22.916 31.733 10.216 1.00 49.49 O ATOM 1037 CB SER A 65 21.440 29.030 10.794 1.00 50.05 C ATOM 1038 OG SER A 65 20.522 27.993 10.579 1.00 49.34 O ATOM 0 H SER A 65 21.654 29.724 8.393 1.00 49.53 H new ATOM 0 HA SER A 65 19.918 30.471 10.625 1.00 50.07 H new ATOM 0 HB2 SER A 65 22.387 28.781 10.315 1.00 50.05 H new ATOM 0 HB3 SER A 65 21.638 29.123 11.862 1.00 50.05 H new ATOM 0 HG SER A 65 20.619 27.655 9.664 1.00 49.34 H new ATOM 1044 N THR A 66 21.372 32.243 11.734 1.00 49.53 N ATOM 1045 CA THR A 66 22.146 33.327 12.348 1.00 50.07 C ATOM 1046 C THR A 66 22.490 32.918 13.780 1.00 50.51 C ATOM 1047 O THR A 66 21.551 32.604 14.547 1.00 49.49 O ATOM 1048 CB THR A 66 21.366 34.655 12.364 1.00 50.14 C ATOM 1049 OG1 THR A 66 20.033 34.424 12.837 1.00 49.34 O ATOM 1050 CG2 THR A 66 21.308 35.256 10.968 1.00 49.73 C ATOM 0 H THR A 66 20.454 32.102 12.154 1.00 49.53 H new ATOM 0 HA THR A 66 23.048 33.488 11.758 1.00 50.07 H new ATOM 0 HB THR A 66 21.878 35.352 13.027 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.051 33.755 13.553 1.00 49.34 H new ATOM 0 HG21 THR A 66 20.753 36.194 10.998 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.320 35.445 10.611 1.00 49.73 H new ATOM 0 HG23 THR A 66 20.809 34.561 10.293 1.00 49.73 H new ATOM 1058 N LEU A 67 23.780 32.896 14.128 1.00 49.53 N ATOM 1059 CA LEU A 67 24.170 32.616 15.516 1.00 50.07 C ATOM 1060 C LEU A 67 24.903 33.867 16.045 1.00 50.51 C ATOM 1061 O LEU A 67 25.462 34.549 15.170 1.00 49.49 O ATOM 1062 CB LEU A 67 25.068 31.376 15.590 1.00 49.82 C ATOM 1063 CG LEU A 67 24.341 30.060 15.898 1.00 49.91 C ATOM 1064 CD1 LEU A 67 23.658 29.535 14.642 1.00 49.73 C ATOM 1065 CD2 LEU A 67 25.336 29.043 16.435 1.00 49.73 C ATOM 0 H LEU A 67 24.556 33.064 13.487 1.00 49.53 H new ATOM 0 HA LEU A 67 23.293 32.404 16.127 1.00 50.07 H new ATOM 0 HB2 LEU A 67 25.592 31.269 14.640 1.00 49.82 H new ATOM 0 HB3 LEU A 67 25.826 31.541 16.355 1.00 49.82 H new ATOM 0 HG LEU A 67 23.576 30.236 16.655 1.00 49.91 H new ATOM 0 HD11 LEU A 67 23.145 28.601 14.870 1.00 49.73 H new ATOM 0 HD12 LEU A 67 22.935 30.269 14.287 1.00 49.73 H new ATOM 0 HD13 LEU A 67 24.405 29.359 13.868 1.00 49.73 H new ATOM 0 HD21 LEU A 67 24.819 28.109 16.654 1.00 49.73 H new ATOM 0 HD22 LEU A 67 26.111 28.863 15.690 1.00 49.73 H new ATOM 0 HD23 LEU A 67 25.792 29.427 17.347 1.00 49.73 H new ATOM 1077 N HIS A 68 24.881 34.086 17.311 1.00 49.53 N ATOM 1078 CA HIS A 68 25.614 35.252 17.860 1.00 50.07 C ATOM 1079 C HIS A 68 26.787 34.614 18.602 1.00 50.51 C ATOM 1080 O HIS A 68 26.595 33.723 19.456 1.00 49.49 O ATOM 1081 CB HIS A 68 24.739 36.079 18.807 1.00 49.92 C ATOM 1082 CG HIS A 68 23.689 36.884 18.106 1.00 50.22 C ATOM 1083 ND1 HIS A 68 23.969 38.071 17.461 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.361 36.674 17.951 1.00 49.95 C ATOM 1085 CE1 HIS A 68 22.856 38.555 16.937 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.867 37.727 17.220 1.00 49.64 N ATOM 0 H HIS A 68 24.390 33.513 17.997 1.00 49.53 H new ATOM 0 HA HIS A 68 25.928 35.953 17.086 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.256 35.410 19.519 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.376 36.751 19.382 1.00 49.92 H new ATOM 0 HD2 HIS A 68 21.796 35.836 18.331 1.00 49.95 H new ATOM 0 HE1 HIS A 68 22.770 39.472 16.373 1.00 50.25 H new ATOM 0 HE2 HIS A 68 20.894 37.849 16.941 1.00 49.64 H new ATOM 1094 N LEU A 69 27.982 35.138 18.385 1.00 49.53 N ATOM 1095 CA LEU A 69 29.174 34.670 19.086 1.00 50.07 C ATOM 1096 C LEU A 69 29.702 35.475 20.235 1.00 50.51 C ATOM 1097 O LEU A 69 30.212 36.622 19.973 1.00 49.49 O ATOM 1098 CB LEU A 69 30.302 34.464 18.067 1.00 49.82 C ATOM 1099 CG LEU A 69 31.632 33.977 18.656 1.00 49.91 C ATOM 1100 CD1 LEU A 69 31.416 32.690 19.441 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.637 33.762 17.534 1.00 49.73 C ATOM 0 H LEU A 69 28.156 35.895 17.724 1.00 49.53 H new ATOM 0 HA LEU A 69 28.830 33.753 19.565 1.00 50.07 H new ATOM 0 HB2 LEU A 69 29.968 33.744 17.320 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.476 35.406 17.546 1.00 49.82 H new ATOM 0 HG LEU A 69 32.025 34.731 19.339 1.00 49.91 H new ATOM 0 HD11 LEU A 69 32.366 32.353 19.855 1.00 49.73 H new ATOM 0 HD12 LEU A 69 30.711 32.873 20.252 1.00 49.73 H new ATOM 0 HD13 LEU A 69 31.016 31.922 18.778 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.582 33.416 17.953 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.253 33.015 16.840 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.797 34.701 17.004 1.00 49.73 H new ATOM 1113 N VAL A 70 29.553 35.037 21.443 1.00 49.53 N ATOM 1114 CA VAL A 70 30.157 35.748 22.606 1.00 50.07 C ATOM 1115 C VAL A 70 31.555 35.225 22.969 1.00 50.51 C ATOM 1116 O VAL A 70 31.685 34.031 23.320 1.00 49.49 O ATOM 1117 CB VAL A 70 29.252 35.651 23.850 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.975 36.188 25.077 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.953 36.408 23.624 1.00 49.73 C ATOM 0 H VAL A 70 29.027 34.197 21.686 1.00 49.53 H new ATOM 0 HA VAL A 70 30.254 36.788 22.295 1.00 50.07 H new ATOM 0 HB VAL A 70 29.013 34.601 24.022 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.322 36.112 25.946 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.879 35.605 25.251 1.00 49.73 H new ATOM 0 HG13 VAL A 70 30.242 37.232 24.914 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.326 36.329 24.512 1.00 49.73 H new ATOM 0 HG22 VAL A 70 28.173 37.457 23.427 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.427 35.981 22.770 1.00 49.73 H new ATOM 1129 N LEU A 71 32.561 36.061 22.866 1.00 49.53 N ATOM 1130 CA LEU A 71 33.936 35.649 23.228 1.00 50.07 C ATOM 1131 C LEU A 71 34.068 35.513 24.722 1.00 50.51 C ATOM 1132 O LEU A 71 33.357 36.184 25.496 1.00 49.49 O ATOM 1133 CB LEU A 71 34.954 36.660 22.687 1.00 49.82 C ATOM 1134 CG LEU A 71 34.986 36.803 21.161 1.00 49.91 C ATOM 1135 CD1 LEU A 71 36.118 37.733 20.747 1.00 49.73 C ATOM 1136 CD2 LEU A 71 35.155 35.431 20.525 1.00 49.73 C ATOM 0 H LEU A 71 32.476 37.024 22.540 1.00 49.53 H new ATOM 0 HA LEU A 71 34.139 34.678 22.776 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.739 37.636 23.123 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.947 36.370 23.029 1.00 49.82 H new ATOM 0 HG LEU A 71 34.047 37.236 20.817 1.00 49.91 H new ATOM 0 HD11 LEU A 71 36.132 37.828 19.661 1.00 49.73 H new ATOM 0 HD12 LEU A 71 35.965 38.715 21.195 1.00 49.73 H new ATOM 0 HD13 LEU A 71 37.069 37.323 21.088 1.00 49.73 H new ATOM 0 HD21 LEU A 71 35.178 35.533 19.440 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.088 34.984 20.867 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.320 34.792 20.812 1.00 49.73 H new ATOM 1148 N ARG A 72 35.036 34.802 25.165 1.00 49.53 N ATOM 1149 CA ARG A 72 35.328 34.626 26.604 1.00 50.07 C ATOM 1150 C ARG A 72 36.740 35.187 26.759 1.00 50.51 C ATOM 1151 O ARG A 72 37.629 34.478 26.187 1.00 49.49 O ATOM 1152 CB ARG A 72 35.210 33.183 27.071 1.00 49.82 C ATOM 1153 CG ARG A 72 35.127 33.003 28.579 1.00 49.82 C ATOM 1154 CD ARG A 72 34.921 31.598 29.017 1.00 50.20 C ATOM 1155 NE ARG A 72 36.042 30.712 28.749 1.00 49.30 N ATOM 1156 CZ ARG A 72 35.960 29.369 28.699 1.00 50.64 C ATOM 1157 NH1 ARG A 72 34.825 28.750 28.936 1.00 49.20 N ATOM 1158 NH2 ARG A 72 37.060 28.686 28.430 1.00 49.20 N ATOM 0 H ARG A 72 35.682 34.301 24.555 1.00 49.53 H new ATOM 0 HA ARG A 72 34.603 35.142 27.234 1.00 50.07 H new ATOM 0 HB2 ARG A 72 34.323 32.741 26.618 1.00 49.82 H new ATOM 0 HB3 ARG A 72 36.069 32.625 26.700 1.00 49.82 H new ATOM 0 HG2 ARG A 72 36.045 33.381 29.029 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.309 33.614 28.962 1.00 49.82 H new ATOM 0 HD2 ARG A 72 34.717 31.591 30.088 1.00 50.20 H new ATOM 0 HD3 ARG A 72 34.035 31.202 28.521 1.00 50.20 H new ATOM 0 HE ARG A 72 36.955 31.138 28.587 1.00 49.30 H new ATOM 0 HH11 ARG A 72 33.988 29.288 29.162 1.00 49.20 H new ATOM 0 HH12 ARG A 72 34.781 27.732 28.894 1.00 49.20 H new ATOM 0 HH21 ARG A 72 37.939 29.178 28.267 1.00 49.20 H new ATOM 0 HH22 ARG A 72 37.030 27.667 28.385 1.00 49.20 H new ATOM 1172 N LEU A 73 36.947 36.294 27.390 1.00 49.53 N ATOM 1173 CA LEU A 73 38.325 36.832 27.517 1.00 50.07 C ATOM 1174 C LEU A 73 39.145 36.310 28.688 1.00 50.51 C ATOM 1175 O LEU A 73 38.623 36.090 29.791 1.00 49.49 O ATOM 1176 CB LEU A 73 38.272 38.363 27.575 1.00 49.82 C ATOM 1177 CG LEU A 73 37.964 39.057 26.242 1.00 49.91 C ATOM 1178 CD1 LEU A 73 36.901 38.277 25.480 1.00 49.73 C ATOM 1179 CD2 LEU A 73 37.503 40.482 26.505 1.00 49.73 C ATOM 0 H LEU A 73 36.219 36.858 27.829 1.00 49.53 H new ATOM 0 HA LEU A 73 38.846 36.471 26.630 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.516 38.657 28.303 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.230 38.730 27.945 1.00 49.82 H new ATOM 0 HG LEU A 73 38.866 39.088 25.631 1.00 49.91 H new ATOM 0 HD11 LEU A 73 36.689 38.778 24.535 1.00 49.73 H new ATOM 0 HD12 LEU A 73 37.262 37.268 25.283 1.00 49.73 H new ATOM 0 HD13 LEU A 73 35.990 38.226 26.076 1.00 49.73 H new ATOM 0 HD21 LEU A 73 37.284 40.974 25.557 1.00 49.73 H new ATOM 0 HD22 LEU A 73 36.604 40.466 27.121 1.00 49.73 H new ATOM 0 HD23 LEU A 73 38.290 41.029 27.025 1.00 49.73 H new ATOM 1191 N ARG A 74 40.418 36.095 28.394 1.00 49.53 N ATOM 1192 CA ARG A 74 41.378 35.582 29.385 1.00 50.07 C ATOM 1193 C ARG A 74 41.571 36.703 30.404 1.00 50.51 C ATOM 1194 O ARG A 74 41.856 37.856 30.035 1.00 49.49 O ATOM 1195 CB ARG A 74 42.689 35.128 28.764 1.00 49.82 C ATOM 1196 CG ARG A 74 43.783 34.778 29.760 1.00 49.82 C ATOM 1197 CD ARG A 74 45.144 34.696 29.172 1.00 50.20 C ATOM 1198 NE ARG A 74 45.321 33.621 28.210 1.00 49.30 N ATOM 1199 CZ ARG A 74 46.362 33.517 27.361 1.00 50.64 C ATOM 1200 NH1 ARG A 74 47.299 34.439 27.322 1.00 49.20 N ATOM 1201 NH2 ARG A 74 46.403 32.476 26.548 1.00 49.20 N ATOM 0 H ARG A 74 40.822 36.266 27.473 1.00 49.53 H new ATOM 0 HA ARG A 74 40.991 34.681 29.861 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.495 34.257 28.139 1.00 49.82 H new ATOM 0 HB3 ARG A 74 43.055 35.917 28.107 1.00 49.82 H new ATOM 0 HG2 ARG A 74 43.788 35.525 30.554 1.00 49.82 H new ATOM 0 HG3 ARG A 74 43.543 33.821 30.224 1.00 49.82 H new ATOM 0 HD2 ARG A 74 45.373 35.644 28.685 1.00 50.20 H new ATOM 0 HD3 ARG A 74 45.867 34.568 29.978 1.00 50.20 H new ATOM 0 HE ARG A 74 44.607 32.894 28.175 1.00 49.30 H new ATOM 0 HH11 ARG A 74 47.244 35.248 27.941 1.00 49.20 H new ATOM 0 HH12 ARG A 74 48.080 34.345 26.673 1.00 49.20 H new ATOM 0 HH21 ARG A 74 45.659 31.779 26.574 1.00 49.20 H new ATOM 0 HH22 ARG A 74 47.179 32.370 25.894 1.00 49.20 H new ATOM 1215 N GLY A 75 41.284 36.368 31.656 1.00 49.53 N ATOM 1216 CA GLY A 75 41.416 37.289 32.778 1.00 49.98 C ATOM 1217 C GLY A 75 40.235 38.212 33.005 1.00 50.51 C ATOM 1218 O GLY A 75 39.257 38.236 32.238 1.00 49.49 O ATOM 0 H GLY A 75 40.950 35.442 31.923 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.581 36.708 33.685 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.307 37.898 32.623 1.00 49.98 H new ATOM 1222 N GLY A 76 40.416 39.076 33.986 1.00 49.53 N ATOM 1223 CA GLY A 76 39.435 40.090 34.400 1.00 49.98 C ATOM 1224 C GLY A 76 39.077 40.233 35.888 1.00 50.51 C ATOM 1225 O GLY A 76 37.961 40.729 36.143 1.00 49.49 O ATOM 0 H GLY A 76 41.272 39.101 34.540 1.00 49.53 H new ATOM 0 HA2 GLY A 76 39.801 41.058 34.058 1.00 49.98 H new ATOM 0 HA3 GLY A 76 38.510 39.890 33.859 1.00 49.98 H new TER 1229 GLY A 76