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 7 THR OG1 : rot -73:sc= 0.854 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.111) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= -0.0521 (180deg=-0.21) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -86:sc= 0.0225 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 23:sc= 0.00366 USER MOD Single : A 25 ASN : amide:sc= -0.0617 K(o=-0.062,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= -0.234 (180deg=-0.938) USER MOD Single : A 31 GLN : amide:sc= -0.0368 K(o=-0.037,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0119 K(o=-0.012,f=-1.2) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.36 F(o=-2.7!,f=-0.36) USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.08) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00177 X(o=-0.0018,f=-0.32) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 110:sc= -0.261 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 26.519 24.772 3.040 1.00 49.53 N ATOM 2 CA MET A 1 25.451 25.746 3.324 1.00 50.07 C ATOM 3 C MET A 1 26.034 26.951 4.102 1.00 50.51 C ATOM 4 O MET A 1 26.805 26.736 5.036 1.00 49.49 O ATOM 5 CB MET A 1 24.327 25.088 4.121 1.00 49.82 C ATOM 6 CG MET A 1 23.538 24.039 3.350 1.00 49.86 C ATOM 7 SD MET A 1 22.310 23.201 4.372 1.00 49.91 S ATOM 8 CE MET A 1 21.710 21.959 3.230 1.00 49.78 C ATOM 0 H1 MET A 1 26.171 24.062 2.364 1.00 49.53 H new ATOM 0 H2 MET A 1 27.339 25.265 2.633 1.00 49.53 H new ATOM 0 H3 MET A 1 26.802 24.300 3.922 1.00 49.53 H new ATOM 0 HA MET A 1 25.037 26.102 2.381 1.00 50.07 H new ATOM 0 HB2 MET A 1 24.753 24.623 5.010 1.00 49.82 H new ATOM 0 HB3 MET A 1 23.640 25.862 4.464 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.039 24.514 2.505 1.00 49.86 H new ATOM 0 HG3 MET A 1 24.227 23.301 2.939 1.00 49.86 H new ATOM 0 HE1 MET A 1 20.942 21.358 3.717 1.00 49.78 H new ATOM 0 HE2 MET A 1 21.287 22.446 2.352 1.00 49.78 H new ATOM 0 HE3 MET A 1 22.536 21.316 2.925 1.00 49.78 H new ATOM 18 N GLN A 2 25.628 28.109 3.673 1.00 49.53 N ATOM 19 CA GLN A 2 26.096 29.345 4.374 1.00 50.07 C ATOM 20 C GLN A 2 25.397 29.505 5.717 1.00 50.51 C ATOM 21 O GLN A 2 24.185 29.205 5.896 1.00 49.49 O ATOM 22 CB GLN A 2 25.842 30.582 3.508 1.00 49.82 C ATOM 23 CG GLN A 2 26.809 30.737 2.346 1.00 49.82 C ATOM 24 CD GLN A 2 26.509 31.962 1.504 1.00 50.55 C ATOM 25 OE1 GLN A 2 25.598 32.736 1.810 1.00 49.45 O ATOM 26 NE2 GLN A 2 27.275 32.144 0.433 1.00 49.38 N ATOM 0 H GLN A 2 25.003 28.259 2.881 1.00 49.53 H new ATOM 0 HA GLN A 2 27.168 29.246 4.548 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.826 30.536 3.117 1.00 49.82 H new ATOM 0 HB3 GLN A 2 25.901 31.470 4.137 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.827 30.804 2.730 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.763 29.847 1.718 1.00 49.82 H new ATOM 0 HE21 GLN A 2 28.017 31.478 0.218 1.00 49.38 H new ATOM 0 HE22 GLN A 2 27.120 32.949 -0.174 1.00 49.38 H new ATOM 35 N ILE A 3 26.171 29.927 6.706 1.00 49.53 N ATOM 36 CA ILE A 3 25.598 30.264 8.023 1.00 50.07 C ATOM 37 C ILE A 3 26.296 31.596 8.431 1.00 50.51 C ATOM 38 O ILE A 3 27.434 31.750 8.018 1.00 49.49 O ATOM 39 CB ILE A 3 25.867 29.176 9.079 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.367 28.889 9.178 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.099 27.907 8.744 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.722 27.844 10.212 1.00 49.73 C ATOM 0 H ILE A 3 27.182 30.046 6.636 1.00 49.53 H new ATOM 0 HA ILE A 3 24.513 30.350 7.964 1.00 50.07 H new ATOM 0 HB ILE A 3 25.521 29.539 10.047 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.730 28.561 8.204 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.890 29.815 9.417 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.301 27.149 9.501 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.031 28.123 8.723 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.414 27.538 7.768 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.802 27.695 10.223 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.391 28.178 11.195 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.229 26.904 9.964 1.00 49.73 H new ATOM 54 N PHE A 4 25.544 32.379 9.166 1.00 49.53 N ATOM 55 CA PHE A 4 26.143 33.691 9.619 1.00 50.07 C ATOM 56 C PHE A 4 26.709 33.725 11.010 1.00 50.51 C ATOM 57 O PHE A 4 26.098 33.067 11.866 1.00 49.49 O ATOM 58 CB PHE A 4 25.104 34.805 9.474 1.00 49.82 C ATOM 59 CG PHE A 4 24.711 35.087 8.053 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.573 35.760 7.199 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.479 34.679 7.564 1.00 49.88 C ATOM 62 CE1 PHE A 4 25.213 36.020 5.891 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.117 34.937 6.255 1.00 49.88 C ATOM 64 CZ PHE A 4 23.983 35.608 5.419 1.00 49.88 C ATOM 0 H PHE A 4 24.587 32.189 9.464 1.00 49.53 H new ATOM 0 HA PHE A 4 27.003 33.835 8.965 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.213 34.534 10.040 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.499 35.718 9.920 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.537 36.085 7.561 1.00 49.88 H new ATOM 0 HD2 PHE A 4 22.794 34.154 8.213 1.00 49.88 H new ATOM 0 HE1 PHE A 4 25.894 36.546 5.238 1.00 49.88 H new ATOM 0 HE2 PHE A 4 22.155 34.612 5.887 1.00 49.88 H new ATOM 0 HZ PHE A 4 23.700 35.811 4.397 1.00 49.88 H new ATOM 74 N VAL A 5 27.774 34.468 11.295 1.00 49.53 N ATOM 75 CA VAL A 5 28.287 34.591 12.645 1.00 50.07 C ATOM 76 C VAL A 5 28.245 36.035 13.198 1.00 50.51 C ATOM 77 O VAL A 5 29.037 36.801 12.633 1.00 49.49 O ATOM 78 CB VAL A 5 29.733 34.069 12.738 1.00 49.91 C ATOM 79 CG1 VAL A 5 30.221 34.108 14.179 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.827 32.657 12.182 1.00 49.73 C ATOM 0 H VAL A 5 28.299 34.996 10.598 1.00 49.53 H new ATOM 0 HA VAL A 5 27.622 33.983 13.258 1.00 50.07 H new ATOM 0 HB VAL A 5 30.373 34.718 12.139 1.00 49.91 H new ATOM 0 HG11 VAL A 5 31.244 33.736 14.227 1.00 49.73 H new ATOM 0 HG12 VAL A 5 30.191 35.134 14.546 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.578 33.482 14.798 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.856 32.305 12.256 1.00 49.73 H new ATOM 0 HG22 VAL A 5 29.175 31.997 12.754 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.517 32.656 11.137 1.00 49.73 H new ATOM 90 N LYS A 6 27.390 36.287 14.127 1.00 49.53 N ATOM 91 CA LYS A 6 27.259 37.676 14.685 1.00 50.07 C ATOM 92 C LYS A 6 28.241 37.819 15.815 1.00 50.51 C ATOM 93 O LYS A 6 28.293 36.953 16.720 1.00 49.49 O ATOM 94 CB LYS A 6 25.832 37.939 15.171 1.00 49.82 C ATOM 95 CG LYS A 6 25.670 39.218 15.982 1.00 49.82 C ATOM 96 CD LYS A 6 25.385 40.412 15.081 1.00 49.82 C ATOM 97 CE LYS A 6 25.024 41.646 15.895 1.00 50.21 C ATOM 98 NZ LYS A 6 24.702 42.809 15.026 1.00 49.70 N ATOM 0 H LYS A 6 26.763 35.596 14.539 1.00 49.53 H new ATOM 0 HA LYS A 6 27.473 38.409 13.907 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.169 37.985 14.307 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.506 37.094 15.778 1.00 49.82 H new ATOM 0 HG2 LYS A 6 24.856 39.097 16.697 1.00 49.82 H new ATOM 0 HG3 LYS A 6 26.576 39.403 16.559 1.00 49.82 H new ATOM 0 HD2 LYS A 6 26.260 40.623 14.466 1.00 49.82 H new ATOM 0 HD3 LYS A 6 24.568 40.170 14.401 1.00 49.82 H new ATOM 0 HE2 LYS A 6 24.169 41.422 16.534 1.00 50.21 H new ATOM 0 HE3 LYS A 6 25.855 41.903 16.552 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 24.628 43.667 15.608 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 25.455 42.934 14.320 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 23.797 42.640 14.541 1.00 49.70 H new ATOM 112 N THR A 7 29.035 38.912 15.811 1.00 49.53 N ATOM 113 CA THR A 7 30.018 39.118 16.886 1.00 50.07 C ATOM 114 C THR A 7 29.516 40.137 17.910 1.00 50.51 C ATOM 115 O THR A 7 28.352 40.533 17.805 1.00 49.49 O ATOM 116 CB THR A 7 31.373 39.591 16.328 1.00 50.14 C ATOM 117 OG1 THR A 7 31.213 40.868 15.696 1.00 49.34 O ATOM 118 CG2 THR A 7 31.912 38.592 15.315 1.00 49.73 C ATOM 0 H THR A 7 29.015 39.641 15.098 1.00 49.53 H new ATOM 0 HA THR A 7 30.153 38.154 17.376 1.00 50.07 H new ATOM 0 HB THR A 7 32.080 39.672 17.154 1.00 50.14 H new ATOM 0 HG1 THR A 7 30.734 40.756 14.849 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.870 38.943 14.932 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.047 37.623 15.796 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.206 38.493 14.491 1.00 49.73 H new ATOM 126 N LEU A 8 30.369 40.588 18.802 1.00 49.53 N ATOM 127 CA LEU A 8 29.947 41.542 19.853 1.00 50.07 C ATOM 128 C LEU A 8 30.036 42.991 19.417 1.00 50.51 C ATOM 129 O LEU A 8 29.095 43.767 19.669 1.00 49.49 O ATOM 130 CB LEU A 8 30.781 41.324 21.122 1.00 49.82 C ATOM 131 CG LEU A 8 30.494 40.018 21.875 1.00 49.91 C ATOM 132 CD1 LEU A 8 31.580 39.766 22.913 1.00 49.73 C ATOM 133 CD2 LEU A 8 29.127 40.103 22.535 1.00 49.73 C ATOM 0 H LEU A 8 31.354 40.325 18.838 1.00 49.53 H new ATOM 0 HA LEU A 8 28.895 41.341 20.055 1.00 50.07 H new ATOM 0 HB2 LEU A 8 31.837 41.345 20.852 1.00 49.82 H new ATOM 0 HB3 LEU A 8 30.609 42.161 21.799 1.00 49.82 H new ATOM 0 HG LEU A 8 30.493 39.184 21.173 1.00 49.91 H new ATOM 0 HD11 LEU A 8 31.368 38.837 23.443 1.00 49.73 H new ATOM 0 HD12 LEU A 8 32.547 39.688 22.416 1.00 49.73 H new ATOM 0 HD13 LEU A 8 31.603 40.592 23.624 1.00 49.73 H new ATOM 0 HD21 LEU A 8 28.923 39.175 23.070 1.00 49.73 H new ATOM 0 HD22 LEU A 8 29.113 40.937 23.237 1.00 49.73 H new ATOM 0 HD23 LEU A 8 28.364 40.257 21.772 1.00 49.73 H new ATOM 145 N THR A 9 30.653 43.256 18.250 1.00 49.53 N ATOM 146 CA THR A 9 30.715 44.706 17.861 1.00 50.07 C ATOM 147 C THR A 9 29.845 44.946 16.665 1.00 50.51 C ATOM 148 O THR A 9 29.930 45.990 15.992 1.00 49.49 O ATOM 149 CB THR A 9 32.154 45.150 17.540 1.00 50.14 C ATOM 150 OG1 THR A 9 32.732 44.253 16.583 1.00 49.34 O ATOM 151 CG2 THR A 9 33.004 45.155 18.803 1.00 49.73 C ATOM 0 H THR A 9 31.077 42.582 17.612 1.00 49.53 H new ATOM 0 HA THR A 9 30.360 45.292 18.709 1.00 50.07 H new ATOM 0 HB THR A 9 32.124 46.159 17.130 1.00 50.14 H new ATOM 0 HG1 THR A 9 33.647 44.538 16.379 1.00 49.34 H new ATOM 0 HG21 THR A 9 34.018 45.471 18.558 1.00 49.73 H new ATOM 0 HG22 THR A 9 32.574 45.846 19.528 1.00 49.73 H new ATOM 0 HG23 THR A 9 33.030 44.152 19.228 1.00 49.73 H new ATOM 159 N GLY A 10 29.018 44.009 16.316 1.00 49.53 N ATOM 160 CA GLY A 10 28.118 44.106 15.188 1.00 49.98 C ATOM 161 C GLY A 10 28.597 43.611 13.857 1.00 50.51 C ATOM 162 O GLY A 10 27.822 43.584 12.876 1.00 49.49 O ATOM 0 H GLY A 10 28.942 43.125 16.818 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.209 43.560 15.439 1.00 49.98 H new ATOM 0 HA3 GLY A 10 27.839 45.153 15.073 1.00 49.98 H new ATOM 166 N LYS A 11 29.839 43.202 13.802 1.00 49.53 N ATOM 167 CA LYS A 11 30.412 42.596 12.608 1.00 50.07 C ATOM 168 C LYS A 11 29.932 41.160 12.295 1.00 50.51 C ATOM 169 O LYS A 11 29.802 40.399 13.248 1.00 49.49 O ATOM 170 CB LYS A 11 31.938 42.609 12.702 1.00 49.82 C ATOM 171 CG LYS A 11 32.567 43.986 12.534 1.00 49.82 C ATOM 172 CD LYS A 11 32.630 44.391 11.069 1.00 49.82 C ATOM 173 CE LYS A 11 33.300 45.745 10.896 1.00 50.21 C ATOM 174 NZ LYS A 11 33.319 46.180 9.473 1.00 49.70 N ATOM 0 H LYS A 11 30.491 43.276 14.583 1.00 49.53 H new ATOM 0 HA LYS A 11 30.054 43.210 11.782 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.234 42.203 13.670 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.343 41.943 11.940 1.00 49.82 H new ATOM 0 HG2 LYS A 11 31.989 44.722 13.092 1.00 49.82 H new ATOM 0 HG3 LYS A 11 33.572 43.983 12.956 1.00 49.82 H new ATOM 0 HD2 LYS A 11 33.179 43.637 10.505 1.00 49.82 H new ATOM 0 HD3 LYS A 11 31.622 44.427 10.656 1.00 49.82 H new ATOM 0 HE2 LYS A 11 32.775 46.489 11.495 1.00 50.21 H new ATOM 0 HE3 LYS A 11 34.321 45.695 11.273 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 33.784 47.107 9.400 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 33.842 45.484 8.904 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 32.344 46.253 9.119 1.00 49.70 H new ATOM 188 N THR A 12 29.753 40.866 11.021 1.00 49.53 N ATOM 189 CA THR A 12 29.381 39.479 10.683 1.00 50.07 C ATOM 190 C THR A 12 30.298 38.871 9.624 1.00 50.51 C ATOM 191 O THR A 12 30.636 39.618 8.702 1.00 49.49 O ATOM 192 CB THR A 12 27.924 39.394 10.188 1.00 50.14 C ATOM 193 OG1 THR A 12 27.814 40.032 8.910 1.00 49.34 O ATOM 194 CG2 THR A 12 26.986 40.075 11.174 1.00 49.73 C ATOM 0 H THR A 12 29.848 41.512 10.238 1.00 49.53 H new ATOM 0 HA THR A 12 29.490 38.908 11.605 1.00 50.07 H new ATOM 0 HB THR A 12 27.645 38.344 10.103 1.00 50.14 H new ATOM 0 HG1 THR A 12 26.888 39.976 8.595 1.00 49.34 H new ATOM 0 HG21 THR A 12 25.961 40.006 10.809 1.00 49.73 H new ATOM 0 HG22 THR A 12 27.059 39.584 12.144 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.264 41.124 11.276 1.00 49.73 H new ATOM 202 N ILE A 13 30.599 37.582 9.777 1.00 49.53 N ATOM 203 CA ILE A 13 31.491 37.009 8.727 1.00 50.07 C ATOM 204 C ILE A 13 30.613 36.043 7.981 1.00 50.51 C ATOM 205 O ILE A 13 29.480 35.768 8.421 1.00 49.49 O ATOM 206 CB ILE A 13 32.707 36.274 9.324 1.00 49.91 C ATOM 207 CG1 ILE A 13 32.247 35.129 10.229 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.590 37.244 10.093 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.324 34.107 10.517 1.00 49.73 C ATOM 0 H ILE A 13 30.289 36.959 10.523 1.00 49.53 H new ATOM 0 HA ILE A 13 31.909 37.792 8.094 1.00 50.07 H new ATOM 0 HB ILE A 13 33.293 35.852 8.507 1.00 49.91 H new ATOM 0 HG12 ILE A 13 31.892 35.544 11.172 1.00 49.82 H new ATOM 0 HG13 ILE A 13 31.399 34.628 9.762 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.444 36.708 10.508 1.00 49.73 H new ATOM 0 HG22 ILE A 13 33.944 38.025 9.420 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.016 37.695 10.903 1.00 49.73 H new ATOM 0 HD11 ILE A 13 32.922 33.327 11.164 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.663 33.663 9.581 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.164 34.593 11.013 1.00 49.73 H new ATOM 221 N THR A 14 31.061 35.554 6.847 1.00 49.53 N ATOM 222 CA THR A 14 30.196 34.563 6.139 1.00 50.07 C ATOM 223 C THR A 14 30.931 33.288 5.820 1.00 50.51 C ATOM 224 O THR A 14 31.878 33.292 4.990 1.00 49.49 O ATOM 225 CB THR A 14 29.624 35.149 4.835 1.00 50.14 C ATOM 226 OG1 THR A 14 28.697 36.197 5.145 1.00 49.34 O ATOM 227 CG2 THR A 14 28.915 34.070 4.031 1.00 49.73 C ATOM 0 H THR A 14 31.948 35.786 6.399 1.00 49.53 H new ATOM 0 HA THR A 14 29.381 34.332 6.824 1.00 50.07 H new ATOM 0 HB THR A 14 30.447 35.547 4.242 1.00 50.14 H new ATOM 0 HG1 THR A 14 27.809 35.813 5.299 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.517 34.503 3.113 1.00 49.73 H new ATOM 0 HG22 THR A 14 29.621 33.278 3.783 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.097 33.655 4.621 1.00 49.73 H new ATOM 235 N LEU A 15 30.512 32.162 6.377 1.00 49.53 N ATOM 236 CA LEU A 15 31.164 30.892 6.141 1.00 50.07 C ATOM 237 C LEU A 15 30.457 29.770 5.374 1.00 50.51 C ATOM 238 O LEU A 15 29.241 29.730 5.502 1.00 49.49 O ATOM 239 CB LEU A 15 31.640 30.331 7.488 1.00 49.82 C ATOM 240 CG LEU A 15 32.634 31.216 8.250 1.00 49.91 C ATOM 241 CD1 LEU A 15 32.921 30.618 9.620 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.916 31.353 7.442 1.00 49.73 C ATOM 0 H LEU A 15 29.710 32.108 7.005 1.00 49.53 H new ATOM 0 HA LEU A 15 31.947 31.178 5.439 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.769 30.162 8.121 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.102 29.359 7.316 1.00 49.82 H new ATOM 0 HG LEU A 15 32.203 32.207 8.394 1.00 49.91 H new ATOM 0 HD11 LEU A 15 33.628 31.253 10.154 1.00 49.73 H new ATOM 0 HD12 LEU A 15 31.994 30.550 10.189 1.00 49.73 H new ATOM 0 HD13 LEU A 15 33.347 29.622 9.500 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.622 31.982 7.984 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.354 30.367 7.285 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.691 31.808 6.477 1.00 49.73 H new ATOM 254 N GLU A 16 31.249 28.953 4.720 1.00 49.53 N ATOM 255 CA GLU A 16 30.616 27.760 4.069 1.00 50.07 C ATOM 256 C GLU A 16 31.261 26.482 4.563 1.00 50.51 C ATOM 257 O GLU A 16 32.448 26.278 4.318 1.00 49.49 O ATOM 258 CB GLU A 16 30.728 27.855 2.546 1.00 49.82 C ATOM 259 CG GLU A 16 30.194 26.641 1.799 1.00 49.72 C ATOM 260 CD GLU A 16 30.618 26.657 0.356 1.00 50.62 C ATOM 261 OE1 GLU A 16 31.798 26.649 0.103 1.00 49.24 O ATOM 262 OE2 GLU A 16 29.763 26.565 -0.493 1.00 49.24 O ATOM 0 H GLU A 16 32.258 29.050 4.610 1.00 49.53 H new ATOM 0 HA GLU A 16 29.560 27.744 4.338 1.00 50.07 H new ATOM 0 HB2 GLU A 16 30.189 28.740 2.209 1.00 49.82 H new ATOM 0 HB3 GLU A 16 31.775 27.999 2.279 1.00 49.82 H new ATOM 0 HG2 GLU A 16 30.555 25.730 2.276 1.00 49.72 H new ATOM 0 HG3 GLU A 16 29.106 26.623 1.860 1.00 49.72 H new ATOM 269 N VAL A 17 30.450 25.755 5.316 1.00 49.53 N ATOM 270 CA VAL A 17 30.883 24.505 5.933 1.00 50.07 C ATOM 271 C VAL A 17 30.025 23.358 5.378 1.00 50.51 C ATOM 272 O VAL A 17 29.106 23.561 4.551 1.00 49.49 O ATOM 273 CB VAL A 17 30.755 24.549 7.467 1.00 49.91 C ATOM 274 CG1 VAL A 17 31.642 25.641 8.045 1.00 49.73 C ATOM 275 CG2 VAL A 17 29.306 24.768 7.876 1.00 49.73 C ATOM 0 H VAL A 17 29.483 26.009 5.517 1.00 49.53 H new ATOM 0 HA VAL A 17 31.935 24.350 5.695 1.00 50.07 H new ATOM 0 HB VAL A 17 31.084 23.590 7.867 1.00 49.91 H new ATOM 0 HG11 VAL A 17 31.539 25.657 9.130 1.00 49.73 H new ATOM 0 HG12 VAL A 17 32.681 25.443 7.782 1.00 49.73 H new ATOM 0 HG13 VAL A 17 31.343 26.607 7.637 1.00 49.73 H new ATOM 0 HG21 VAL A 17 29.235 24.796 8.963 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.951 25.713 7.465 1.00 49.73 H new ATOM 0 HG23 VAL A 17 28.693 23.952 7.494 1.00 49.73 H new ATOM 285 N GLU A 18 30.453 22.181 5.777 1.00 49.53 N ATOM 286 CA GLU A 18 29.757 20.926 5.491 1.00 50.07 C ATOM 287 C GLU A 18 28.767 20.577 6.592 1.00 50.51 C ATOM 288 O GLU A 18 29.039 20.755 7.769 1.00 49.49 O ATOM 289 CB GLU A 18 30.761 19.787 5.307 1.00 49.82 C ATOM 290 CG GLU A 18 31.520 19.825 3.988 1.00 49.72 C ATOM 291 CD GLU A 18 32.459 18.657 3.864 1.00 50.62 C ATOM 292 OE1 GLU A 18 32.528 17.874 4.782 1.00 49.24 O ATOM 293 OE2 GLU A 18 33.024 18.483 2.810 1.00 49.24 O ATOM 0 H GLU A 18 31.308 22.057 6.319 1.00 49.53 H new ATOM 0 HA GLU A 18 29.199 21.061 4.565 1.00 50.07 H new ATOM 0 HB2 GLU A 18 31.479 19.816 6.126 1.00 49.82 H new ATOM 0 HB3 GLU A 18 30.232 18.837 5.380 1.00 49.82 H new ATOM 0 HG2 GLU A 18 30.813 19.815 3.159 1.00 49.72 H new ATOM 0 HG3 GLU A 18 32.083 20.756 3.916 1.00 49.72 H new ATOM 300 N PRO A 19 27.614 20.057 6.218 1.00 49.71 N ATOM 301 CA PRO A 19 26.593 19.631 7.175 1.00 50.02 C ATOM 302 C PRO A 19 27.137 18.647 8.180 1.00 50.51 C ATOM 303 O PRO A 19 26.593 18.474 9.279 1.00 49.49 O ATOM 304 CB PRO A 19 25.510 18.978 6.287 1.00 49.82 C ATOM 305 CG PRO A 19 25.653 19.713 4.996 1.00 49.82 C ATOM 306 CD PRO A 19 27.190 19.812 4.816 1.00 50.00 C ATOM 0 HA PRO A 19 26.214 20.461 7.771 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.679 17.908 6.164 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.513 19.097 6.712 1.00 49.82 H new ATOM 0 HG2 PRO A 19 25.184 19.175 4.172 1.00 49.82 H new ATOM 0 HG3 PRO A 19 25.188 20.698 5.039 1.00 49.82 H new ATOM 0 HD2 PRO A 19 27.619 18.897 4.408 1.00 50.00 H new ATOM 0 HD3 PRO A 19 27.477 20.624 4.148 1.00 50.00 H new ATOM 314 N SER A 20 28.194 17.939 7.815 1.00 49.53 N ATOM 315 CA SER A 20 28.755 16.919 8.715 1.00 50.07 C ATOM 316 C SER A 20 29.861 17.421 9.613 1.00 50.51 C ATOM 317 O SER A 20 30.682 16.596 10.049 1.00 49.49 O ATOM 318 CB SER A 20 29.253 15.741 7.900 1.00 50.05 C ATOM 319 OG SER A 20 28.204 15.053 7.276 1.00 49.34 O ATOM 0 H SER A 20 28.679 18.041 6.923 1.00 49.53 H new ATOM 0 HA SER A 20 27.943 16.622 9.378 1.00 50.07 H new ATOM 0 HB2 SER A 20 29.955 16.094 7.145 1.00 50.05 H new ATOM 0 HB3 SER A 20 29.800 15.057 8.549 1.00 50.05 H new ATOM 0 HG SER A 20 28.566 14.303 6.760 1.00 49.34 H new ATOM 325 N ASP A 21 29.963 18.745 9.760 1.00 49.53 N ATOM 326 CA ASP A 21 31.062 19.255 10.623 1.00 50.07 C ATOM 327 C ASP A 21 30.747 19.262 12.096 1.00 50.51 C ATOM 328 O ASP A 21 29.759 19.884 12.535 1.00 49.49 O ATOM 329 CB ASP A 21 31.462 20.664 10.180 1.00 49.72 C ATOM 330 CG ASP A 21 32.401 20.703 8.981 1.00 50.62 C ATOM 331 OD1 ASP A 21 32.736 19.656 8.479 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.649 21.774 8.481 1.00 49.24 O ATOM 0 H ASP A 21 29.356 19.446 9.335 1.00 49.53 H new ATOM 0 HA ASP A 21 31.887 18.555 10.493 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.560 21.226 9.938 1.00 49.72 H new ATOM 0 HB3 ASP A 21 31.940 21.173 11.017 1.00 49.72 H new ATOM 337 N THR A 22 31.642 18.686 12.879 1.00 49.53 N ATOM 338 CA THR A 22 31.529 18.692 14.319 1.00 50.07 C ATOM 339 C THR A 22 31.943 20.094 14.821 1.00 50.51 C ATOM 340 O THR A 22 32.853 20.703 14.251 1.00 49.49 O ATOM 341 CB THR A 22 32.423 17.622 14.973 1.00 50.14 C ATOM 342 OG1 THR A 22 32.123 17.537 16.372 1.00 49.34 O ATOM 343 CG2 THR A 22 33.892 17.970 14.794 1.00 49.73 C ATOM 0 H THR A 22 32.468 18.201 12.529 1.00 49.53 H new ATOM 0 HA THR A 22 30.500 18.461 14.594 1.00 50.07 H new ATOM 0 HB THR A 22 32.227 16.664 14.492 1.00 50.14 H new ATOM 0 HG1 THR A 22 31.220 17.882 16.535 1.00 49.34 H new ATOM 0 HG21 THR A 22 34.508 17.202 15.263 1.00 49.73 H new ATOM 0 HG22 THR A 22 34.126 18.024 13.731 1.00 49.73 H new ATOM 0 HG23 THR A 22 34.097 18.934 15.260 1.00 49.73 H new ATOM 351 N ILE A 23 31.344 20.443 15.960 1.00 49.53 N ATOM 352 CA ILE A 23 31.680 21.694 16.634 1.00 50.07 C ATOM 353 C ILE A 23 33.147 22.061 16.864 1.00 50.51 C ATOM 354 O ILE A 23 33.542 23.241 16.869 1.00 49.49 O ATOM 355 CB ILE A 23 30.967 21.769 17.996 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.450 21.850 17.801 1.00 49.82 C ATOM 357 CG2 ILE A 23 31.470 22.963 18.793 1.00 49.73 C ATOM 358 CD1 ILE A 23 29.000 23.059 17.014 1.00 49.73 C ATOM 0 H ILE A 23 30.632 19.883 16.430 1.00 49.53 H new ATOM 0 HA ILE A 23 31.339 22.423 15.898 1.00 50.07 H new ATOM 0 HB ILE A 23 31.193 20.862 18.557 1.00 49.91 H new ATOM 0 HG12 ILE A 23 29.110 20.949 17.291 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.968 21.864 18.778 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.956 23.002 19.753 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.543 22.864 18.959 1.00 49.73 H new ATOM 0 HG23 ILE A 23 31.272 23.880 18.238 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.914 23.047 16.918 1.00 49.73 H new ATOM 0 HD12 ILE A 23 29.308 23.966 17.533 1.00 49.73 H new ATOM 0 HD13 ILE A 23 29.453 23.037 16.023 1.00 49.73 H new ATOM 370 N GLU A 24 33.971 21.063 17.077 1.00 49.53 N ATOM 371 CA GLU A 24 35.442 21.317 17.246 1.00 50.07 C ATOM 372 C GLU A 24 35.939 21.975 15.983 1.00 50.51 C ATOM 373 O GLU A 24 36.659 23.002 16.024 1.00 49.49 O ATOM 374 CB GLU A 24 36.198 20.013 17.512 1.00 49.82 C ATOM 375 CG GLU A 24 37.713 20.135 17.424 1.00 49.72 C ATOM 376 CD GLU A 24 38.386 18.840 17.783 1.00 50.62 C ATOM 377 OE1 GLU A 24 38.083 17.844 17.172 1.00 49.24 O ATOM 378 OE2 GLU A 24 39.286 18.866 18.591 1.00 49.24 O ATOM 0 H GLU A 24 33.692 20.084 17.141 1.00 49.53 H new ATOM 0 HA GLU A 24 35.614 21.965 18.106 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.932 19.649 18.504 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.864 19.261 16.797 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.998 20.428 16.414 1.00 49.72 H new ATOM 0 HG3 GLU A 24 38.056 20.924 18.094 1.00 49.72 H new ATOM 385 N ASN A 25 35.718 21.326 14.850 1.00 49.53 N ATOM 386 CA ASN A 25 36.136 21.807 13.527 1.00 50.07 C ATOM 387 C ASN A 25 35.591 23.170 13.102 1.00 50.51 C ATOM 388 O ASN A 25 36.306 23.977 12.473 1.00 49.49 O ATOM 389 CB ASN A 25 35.804 20.782 12.458 1.00 49.82 C ATOM 390 CG ASN A 25 36.793 19.652 12.375 1.00 50.55 C ATOM 391 OD1 ASN A 25 37.934 19.764 12.837 1.00 49.45 O ATOM 392 ND2 ASN A 25 36.389 18.595 11.717 1.00 49.38 N ATOM 0 H ASN A 25 35.233 20.429 14.816 1.00 49.53 H new ATOM 0 HA ASN A 25 37.212 21.946 13.629 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.813 20.372 12.655 1.00 49.82 H new ATOM 0 HB3 ASN A 25 35.755 21.282 11.491 1.00 49.82 H new ATOM 0 HD21 ASN A 25 37.027 17.814 11.565 1.00 49.38 H new ATOM 0 HD22 ASN A 25 35.436 18.552 11.356 1.00 49.38 H new ATOM 399 N VAL A 26 34.340 23.395 13.479 1.00 49.53 N ATOM 400 CA VAL A 26 33.690 24.665 13.175 1.00 50.07 C ATOM 401 C VAL A 26 34.521 25.763 13.829 1.00 50.51 C ATOM 402 O VAL A 26 34.839 26.783 13.207 1.00 49.49 O ATOM 403 CB VAL A 26 32.245 24.718 13.705 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.672 26.118 13.548 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.373 23.703 12.979 1.00 49.73 C ATOM 0 H VAL A 26 33.761 22.727 13.988 1.00 49.53 H new ATOM 0 HA VAL A 26 33.632 24.793 12.094 1.00 50.07 H new ATOM 0 HB VAL A 26 32.258 24.466 14.765 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.650 26.138 13.927 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.281 26.826 14.110 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.673 26.395 12.494 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.355 23.754 13.366 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.367 23.926 11.912 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.772 22.701 13.138 1.00 49.73 H new ATOM 415 N LYS A 27 34.938 25.513 15.065 1.00 49.53 N ATOM 416 CA LYS A 27 35.742 26.498 15.803 1.00 50.07 C ATOM 417 C LYS A 27 37.102 26.527 15.126 1.00 50.51 C ATOM 418 O LYS A 27 37.661 27.635 14.932 1.00 49.49 O ATOM 419 CB LYS A 27 35.872 26.115 17.278 1.00 49.82 C ATOM 420 CG LYS A 27 34.556 26.112 18.045 1.00 49.82 C ATOM 421 CD LYS A 27 34.792 26.120 19.548 1.00 49.82 C ATOM 422 CE LYS A 27 35.317 24.778 20.034 1.00 50.21 C ATOM 423 NZ LYS A 27 35.444 24.734 21.517 1.00 49.70 N ATOM 0 H LYS A 27 34.740 24.653 15.576 1.00 49.53 H new ATOM 0 HA LYS A 27 35.270 27.480 15.785 1.00 50.07 H new ATOM 0 HB2 LYS A 27 36.320 25.124 17.345 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.559 26.809 17.762 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.966 26.984 17.763 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.975 25.232 17.771 1.00 49.82 H new ATOM 0 HD2 LYS A 27 35.505 26.905 19.802 1.00 49.82 H new ATOM 0 HD3 LYS A 27 33.861 26.356 20.063 1.00 49.82 H new ATOM 0 HE2 LYS A 27 34.646 23.985 19.704 1.00 50.21 H new ATOM 0 HE3 LYS A 27 36.289 24.583 19.581 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 35.805 23.803 21.807 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 36.104 25.474 21.831 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 34.512 24.894 21.950 1.00 49.70 H new ATOM 437 N ALA A 28 37.660 25.376 14.811 1.00 49.53 N ATOM 438 CA ALA A 28 38.939 25.298 14.094 1.00 50.07 C ATOM 439 C ALA A 28 38.935 26.006 12.751 1.00 50.51 C ATOM 440 O ALA A 28 40.007 26.094 12.060 1.00 49.49 O ATOM 441 CB ALA A 28 39.351 23.825 13.912 1.00 49.73 C ATOM 0 H ALA A 28 37.252 24.469 15.038 1.00 49.53 H new ATOM 0 HA ALA A 28 39.667 25.823 14.712 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.301 23.776 13.379 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.458 23.354 14.889 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.586 23.301 13.339 1.00 49.73 H new ATOM 447 N LYS A 29 37.811 26.556 12.317 1.00 49.53 N ATOM 448 CA LYS A 29 37.760 27.332 11.061 1.00 50.07 C ATOM 449 C LYS A 29 37.756 28.843 11.359 1.00 50.51 C ATOM 450 O LYS A 29 38.538 29.651 10.802 1.00 49.49 O ATOM 451 CB LYS A 29 36.525 26.951 10.242 1.00 49.82 C ATOM 452 CG LYS A 29 36.650 25.631 9.494 1.00 49.82 C ATOM 453 CD LYS A 29 35.500 25.438 8.517 1.00 49.82 C ATOM 454 CE LYS A 29 35.609 24.108 7.788 1.00 50.21 C ATOM 455 NZ LYS A 29 34.475 23.892 6.848 1.00 49.70 N ATOM 0 H LYS A 29 36.918 26.487 12.805 1.00 49.53 H new ATOM 0 HA LYS A 29 38.650 27.095 10.478 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.664 26.897 10.909 1.00 49.82 H new ATOM 0 HB3 LYS A 29 36.322 27.744 9.523 1.00 49.82 H new ATOM 0 HG2 LYS A 29 37.597 25.605 8.954 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.666 24.807 10.207 1.00 49.82 H new ATOM 0 HD2 LYS A 29 34.553 25.484 9.054 1.00 49.82 H new ATOM 0 HD3 LYS A 29 35.495 26.252 7.793 1.00 49.82 H new ATOM 0 HE2 LYS A 29 36.549 24.073 7.237 1.00 50.21 H new ATOM 0 HE3 LYS A 29 35.636 23.297 8.516 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 34.763 23.226 6.103 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 33.663 23.501 7.367 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 34.205 24.799 6.416 1.00 49.70 H new ATOM 469 N ILE A 30 36.906 29.240 12.307 1.00 49.53 N ATOM 470 CA ILE A 30 36.831 30.669 12.665 1.00 50.07 C ATOM 471 C ILE A 30 38.154 31.312 13.106 1.00 50.51 C ATOM 472 O ILE A 30 38.360 32.525 12.873 1.00 49.49 O ATOM 473 CB ILE A 30 35.788 30.901 13.772 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.374 30.692 13.225 1.00 49.82 C ATOM 475 CG2 ILE A 30 35.935 32.297 14.358 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.291 30.793 14.276 1.00 49.73 C ATOM 0 H ILE A 30 36.280 28.625 12.827 1.00 49.53 H new ATOM 0 HA ILE A 30 36.545 31.156 11.733 1.00 50.07 H new ATOM 0 HB ILE A 30 35.960 30.176 14.568 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.183 31.431 12.447 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.319 29.711 12.753 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.189 32.444 15.139 1.00 49.73 H new ATOM 0 HG22 ILE A 30 36.933 32.410 14.782 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.788 33.039 13.573 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.318 30.634 13.812 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.456 30.036 15.042 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.318 31.783 14.732 1.00 49.73 H new ATOM 488 N GLN A 31 39.005 30.584 13.785 1.00 49.53 N ATOM 489 CA GLN A 31 40.298 31.209 14.204 1.00 50.07 C ATOM 490 C GLN A 31 41.014 31.738 12.949 1.00 50.51 C ATOM 491 O GLN A 31 41.513 32.880 12.822 1.00 49.49 O ATOM 492 CB GLN A 31 41.185 30.194 14.929 1.00 49.82 C ATOM 493 CG GLN A 31 42.472 30.778 15.487 1.00 49.82 C ATOM 494 CD GLN A 31 43.436 29.707 15.960 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.181 28.509 15.805 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.550 30.132 16.546 1.00 49.38 N ATOM 0 H GLN A 31 38.868 29.612 14.061 1.00 49.53 H new ATOM 0 HA GLN A 31 40.097 32.028 14.895 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.617 29.750 15.746 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.434 29.388 14.239 1.00 49.82 H new ATOM 0 HG2 GLN A 31 42.955 31.385 14.721 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.236 31.443 16.318 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.720 31.132 16.653 1.00 49.38 H new ATOM 0 HE22 GLN A 31 45.235 29.458 16.889 1.00 49.38 H new ATOM 505 N ASP A 32 41.111 30.853 11.987 1.00 49.53 N ATOM 506 CA ASP A 32 41.757 31.207 10.702 1.00 50.07 C ATOM 507 C ASP A 32 41.729 32.674 10.327 1.00 50.51 C ATOM 508 O ASP A 32 42.764 33.354 10.139 1.00 49.49 O ATOM 509 CB ASP A 32 41.137 30.387 9.568 1.00 49.72 C ATOM 510 CG ASP A 32 41.368 28.887 9.679 1.00 50.62 C ATOM 511 OD1 ASP A 32 42.170 28.486 10.488 1.00 49.24 O ATOM 512 OD2 ASP A 32 40.633 28.146 9.069 1.00 49.24 O ATOM 0 H ASP A 32 40.765 29.895 12.045 1.00 49.53 H new ATOM 0 HA ASP A 32 42.810 30.969 10.850 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.064 30.576 9.544 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.544 30.736 8.619 1.00 49.72 H new ATOM 517 N LYS A 33 40.521 33.248 10.169 1.00 49.53 N ATOM 518 CA LYS A 33 40.515 34.661 9.703 1.00 50.07 C ATOM 519 C LYS A 33 40.278 35.570 10.857 1.00 50.51 C ATOM 520 O LYS A 33 41.191 36.430 11.112 1.00 49.49 O ATOM 521 CB LYS A 33 39.447 34.873 8.629 1.00 49.82 C ATOM 522 CG LYS A 33 39.786 34.262 7.277 1.00 49.82 C ATOM 523 CD LYS A 33 38.689 34.531 6.258 1.00 49.82 C ATOM 524 CE LYS A 33 39.003 33.879 4.919 1.00 50.21 C ATOM 525 NZ LYS A 33 37.888 34.040 3.946 1.00 49.70 N ATOM 0 H LYS A 33 39.614 32.813 10.336 1.00 49.53 H new ATOM 0 HA LYS A 33 41.486 34.889 9.263 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.506 34.449 8.980 1.00 49.82 H new ATOM 0 HB3 LYS A 33 39.286 35.943 8.500 1.00 49.82 H new ATOM 0 HG2 LYS A 33 40.729 34.673 6.916 1.00 49.82 H new ATOM 0 HG3 LYS A 33 39.928 33.187 7.387 1.00 49.82 H new ATOM 0 HD2 LYS A 33 37.739 34.152 6.635 1.00 49.82 H new ATOM 0 HD3 LYS A 33 38.572 35.606 6.122 1.00 49.82 H new ATOM 0 HE2 LYS A 33 39.911 34.318 4.506 1.00 50.21 H new ATOM 0 HE3 LYS A 33 39.202 32.818 5.070 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 38.142 33.582 3.048 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 37.027 33.599 4.328 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 37.714 35.052 3.781 1.00 49.70 H new ATOM 539 N GLU A 34 39.257 35.449 11.659 1.00 49.53 N ATOM 540 CA GLU A 34 38.981 36.302 12.793 1.00 50.07 C ATOM 541 C GLU A 34 40.158 36.329 13.736 1.00 50.51 C ATOM 542 O GLU A 34 40.362 37.330 14.429 1.00 49.49 O ATOM 543 CB GLU A 34 37.726 35.829 13.529 1.00 49.82 C ATOM 544 CG GLU A 34 36.419 36.167 12.824 1.00 49.72 C ATOM 545 CD GLU A 34 35.240 35.975 13.738 1.00 50.62 C ATOM 546 OE1 GLU A 34 35.121 34.918 14.308 1.00 49.24 O ATOM 547 OE2 GLU A 34 34.521 36.923 13.952 1.00 49.24 O ATOM 0 H GLU A 34 38.557 34.717 11.538 1.00 49.53 H new ATOM 0 HA GLU A 34 38.808 37.313 12.424 1.00 50.07 H new ATOM 0 HB2 GLU A 34 37.784 34.749 13.663 1.00 49.82 H new ATOM 0 HB3 GLU A 34 37.714 36.274 14.524 1.00 49.82 H new ATOM 0 HG2 GLU A 34 36.448 37.199 12.476 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.305 35.536 11.942 1.00 49.72 H new ATOM 554 N GLY A 35 40.865 35.217 13.867 1.00 49.53 N ATOM 555 CA GLY A 35 42.050 35.138 14.679 1.00 49.98 C ATOM 556 C GLY A 35 41.613 34.723 16.027 1.00 50.51 C ATOM 557 O GLY A 35 42.459 34.592 16.951 1.00 49.49 O ATOM 0 H GLY A 35 40.623 34.341 13.405 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.757 34.420 14.263 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.559 36.101 14.716 1.00 49.98 H new ATOM 561 N ILE A 36 40.320 34.396 16.197 1.00 49.53 N ATOM 562 CA ILE A 36 39.866 33.974 17.530 1.00 50.07 C ATOM 563 C ILE A 36 40.136 32.508 17.824 1.00 50.51 C ATOM 564 O ILE A 36 39.623 31.615 17.126 1.00 49.49 O ATOM 565 CB ILE A 36 38.361 34.245 17.717 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.048 35.721 17.455 1.00 49.82 C ATOM 567 CG2 ILE A 36 37.917 33.843 19.115 1.00 49.73 C ATOM 568 CD1 ILE A 36 36.570 36.029 17.390 1.00 49.73 C ATOM 0 H ILE A 36 39.605 34.413 15.470 1.00 49.53 H new ATOM 0 HA ILE A 36 40.448 34.570 18.233 1.00 50.07 H new ATOM 0 HB ILE A 36 37.808 33.643 16.996 1.00 49.91 H new ATOM 0 HG12 ILE A 36 38.501 36.324 18.242 1.00 49.82 H new ATOM 0 HG13 ILE A 36 38.514 36.020 16.516 1.00 49.82 H new ATOM 0 HG21 ILE A 36 36.851 34.041 19.229 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.106 32.780 19.265 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.475 34.419 19.854 1.00 49.73 H new ATOM 0 HD11 ILE A 36 36.428 37.093 17.202 1.00 49.73 H new ATOM 0 HD12 ILE A 36 36.114 35.454 16.584 1.00 49.73 H new ATOM 0 HD13 ILE A 36 36.101 35.762 18.337 1.00 49.73 H new ATOM 580 N PRO A 37 40.918 32.235 18.862 1.00 49.71 N ATOM 581 CA PRO A 37 41.239 30.863 19.290 1.00 50.02 C ATOM 582 C PRO A 37 39.975 30.077 19.587 1.00 50.51 C ATOM 583 O PRO A 37 39.079 30.631 20.276 1.00 49.49 O ATOM 584 CB PRO A 37 42.010 31.149 20.615 1.00 49.82 C ATOM 585 CG PRO A 37 42.676 32.467 20.352 1.00 49.82 C ATOM 586 CD PRO A 37 41.552 33.277 19.722 1.00 50.00 C ATOM 0 HA PRO A 37 41.785 30.277 18.550 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.335 31.203 21.469 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.738 30.367 20.833 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.044 32.927 21.269 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.529 32.365 19.681 1.00 49.82 H new ATOM 0 HD2 PRO A 37 40.862 33.678 20.465 1.00 50.00 H new ATOM 0 HD3 PRO A 37 41.924 34.123 19.143 1.00 50.00 H new ATOM 594 N PRO A 38 39.885 28.841 19.163 1.00 49.71 N ATOM 595 CA PRO A 38 38.671 28.048 19.416 1.00 50.02 C ATOM 596 C PRO A 38 38.325 27.932 20.876 1.00 50.51 C ATOM 597 O PRO A 38 37.130 27.855 21.275 1.00 49.49 O ATOM 598 CB PRO A 38 38.955 26.723 18.716 1.00 49.82 C ATOM 599 CG PRO A 38 39.901 27.126 17.588 1.00 49.82 C ATOM 600 CD PRO A 38 40.854 28.088 18.328 1.00 50.00 C ATOM 0 HA PRO A 38 37.769 28.518 19.024 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.416 26.001 19.390 1.00 49.82 H new ATOM 0 HB3 PRO A 38 38.043 26.265 18.333 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.427 26.270 17.166 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.378 27.616 16.767 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.594 27.558 18.928 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.403 28.736 17.644 1.00 50.00 H new ATOM 608 N ASP A 39 39.307 27.916 21.743 1.00 49.53 N ATOM 609 CA ASP A 39 39.048 27.746 23.199 1.00 50.07 C ATOM 610 C ASP A 39 38.447 28.951 23.912 1.00 50.51 C ATOM 611 O ASP A 39 37.721 28.843 24.939 1.00 49.49 O ATOM 612 CB ASP A 39 40.339 27.334 23.910 1.00 49.72 C ATOM 613 CG ASP A 39 40.195 27.142 25.414 1.00 50.62 C ATOM 614 OD1 ASP A 39 39.390 26.337 25.816 1.00 49.24 O ATOM 615 OD2 ASP A 39 40.995 27.682 26.141 1.00 49.24 O ATOM 0 H ASP A 39 40.291 28.015 21.495 1.00 49.53 H new ATOM 0 HA ASP A 39 38.286 26.969 23.255 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.701 26.405 23.470 1.00 49.72 H new ATOM 0 HB3 ASP A 39 41.100 28.092 23.724 1.00 49.72 H new ATOM 620 N GLN A 40 38.639 30.132 23.345 1.00 49.53 N ATOM 621 CA GLN A 40 38.060 31.347 23.966 1.00 50.07 C ATOM 622 C GLN A 40 36.691 31.676 23.339 1.00 50.51 C ATOM 623 O GLN A 40 36.294 32.835 23.359 1.00 49.49 O ATOM 624 CB GLN A 40 39.007 32.538 23.801 1.00 49.82 C ATOM 625 CG GLN A 40 40.287 32.432 24.610 1.00 49.82 C ATOM 626 CD GLN A 40 41.340 33.427 24.160 1.00 50.55 C ATOM 627 OE1 GLN A 40 41.114 34.218 23.240 1.00 49.45 O ATOM 628 NE2 GLN A 40 42.501 33.392 24.805 1.00 49.38 N ATOM 0 H GLN A 40 39.169 30.290 22.488 1.00 49.53 H new ATOM 0 HA GLN A 40 37.922 31.151 25.029 1.00 50.07 H new ATOM 0 HB2 GLN A 40 39.264 32.640 22.747 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.482 33.448 24.090 1.00 49.82 H new ATOM 0 HG2 GLN A 40 40.062 32.597 25.664 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.686 31.421 24.523 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.645 32.721 25.560 1.00 49.38 H new ATOM 0 HE22 GLN A 40 43.248 34.036 24.545 1.00 49.38 H new ATOM 637 N GLN A 41 35.990 30.684 22.838 1.00 49.53 N ATOM 638 CA GLN A 41 34.718 30.859 22.179 1.00 50.07 C ATOM 639 C GLN A 41 33.558 30.444 23.061 1.00 50.51 C ATOM 640 O GLN A 41 33.523 29.415 23.718 1.00 49.49 O ATOM 641 CB GLN A 41 34.680 30.060 20.874 1.00 49.82 C ATOM 642 CG GLN A 41 35.764 30.441 19.879 1.00 49.82 C ATOM 643 CD GLN A 41 35.404 30.058 18.457 1.00 50.55 C ATOM 644 OE1 GLN A 41 34.178 29.586 18.264 1.00 49.45 O flip ATOM 645 NE2 GLN A 41 36.220 30.187 17.540 1.00 49.38 N flip ATOM 0 H GLN A 41 36.296 29.712 22.879 1.00 49.53 H new ATOM 0 HA GLN A 41 34.613 31.922 21.963 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.773 28.999 21.108 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.706 30.199 20.404 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.938 31.516 19.930 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.698 29.953 20.159 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.152 30.554 17.734 1.00 49.38 H new ATOM 0 HE22 GLN A 41 35.963 29.927 16.588 1.00 49.38 H new ATOM 654 N ARG A 42 32.465 31.194 22.925 1.00 49.53 N ATOM 655 CA ARG A 42 31.177 30.818 23.590 1.00 50.07 C ATOM 656 C ARG A 42 30.068 30.864 22.561 1.00 50.51 C ATOM 657 O ARG A 42 29.696 32.039 22.160 1.00 49.49 O ATOM 658 CB ARG A 42 30.869 31.687 24.800 1.00 49.82 C ATOM 659 CG ARG A 42 29.586 31.330 25.532 1.00 49.82 C ATOM 660 CD ARG A 42 29.467 31.929 26.886 1.00 50.20 C ATOM 661 NE ARG A 42 30.456 31.456 27.844 1.00 49.30 N ATOM 662 CZ ARG A 42 30.631 31.968 29.078 1.00 50.64 C ATOM 663 NH1 ARG A 42 29.917 32.988 29.496 1.00 49.20 N ATOM 664 NH2 ARG A 42 31.559 31.430 29.849 1.00 49.20 N ATOM 0 H ARG A 42 32.424 32.053 22.376 1.00 49.53 H new ATOM 0 HA ARG A 42 31.266 29.804 23.981 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.701 31.618 25.500 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.809 32.726 24.477 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.736 31.651 24.929 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.522 30.245 25.620 1.00 49.82 H new ATOM 0 HD2 ARG A 42 29.553 33.012 26.799 1.00 50.20 H new ATOM 0 HD3 ARG A 42 28.471 31.718 27.277 1.00 50.20 H new ATOM 0 HE ARG A 42 31.059 30.683 27.561 1.00 49.30 H new ATOM 0 HH11 ARG A 42 29.217 33.405 28.883 1.00 49.20 H new ATOM 0 HH12 ARG A 42 30.063 33.363 30.433 1.00 49.20 H new ATOM 0 HH21 ARG A 42 32.119 30.650 29.505 1.00 49.20 H new ATOM 0 HH22 ARG A 42 31.716 31.795 30.788 1.00 49.20 H new ATOM 678 N LEU A 43 29.589 29.727 22.063 1.00 49.53 N ATOM 679 CA LEU A 43 28.539 29.733 21.011 1.00 50.07 C ATOM 680 C LEU A 43 27.088 29.532 21.432 1.00 50.51 C ATOM 681 O LEU A 43 26.788 28.524 22.086 1.00 49.49 O ATOM 682 CB LEU A 43 28.896 28.692 19.944 1.00 49.82 C ATOM 683 CG LEU A 43 30.222 28.934 19.213 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.501 27.791 18.245 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.162 30.263 18.475 1.00 49.73 C ATOM 0 H LEU A 43 29.895 28.799 22.355 1.00 49.53 H new ATOM 0 HA LEU A 43 28.555 30.761 20.648 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.934 27.710 20.416 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.094 28.661 19.207 1.00 49.82 H new ATOM 0 HG LEU A 43 31.035 28.973 19.938 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.445 27.972 17.731 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.563 26.853 18.797 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.695 27.729 17.514 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.105 30.434 17.956 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.348 30.240 17.751 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.990 31.068 19.189 1.00 49.73 H new ATOM 697 N ILE A 44 26.255 30.523 21.130 1.00 49.53 N ATOM 698 CA ILE A 44 24.845 30.517 21.503 1.00 50.07 C ATOM 699 C ILE A 44 23.937 30.484 20.279 1.00 50.51 C ATOM 700 O ILE A 44 24.028 31.295 19.381 1.00 49.49 O ATOM 701 CB ILE A 44 24.485 31.742 22.363 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.210 31.681 23.709 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.981 31.825 22.568 1.00 49.73 C ATOM 704 CD1 ILE A 44 24.969 30.401 24.476 1.00 49.73 C ATOM 0 H ILE A 44 26.541 31.357 20.617 1.00 49.53 H new ATOM 0 HA ILE A 44 24.685 29.610 22.086 1.00 50.07 H new ATOM 0 HB ILE A 44 24.809 32.641 21.838 1.00 49.91 H new ATOM 0 HG12 ILE A 44 26.281 31.796 23.540 1.00 49.82 H new ATOM 0 HG13 ILE A 44 24.892 32.525 24.321 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.745 32.697 23.178 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.486 31.914 21.601 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.632 30.924 23.072 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.516 30.433 25.418 1.00 49.73 H new ATOM 0 HD12 ILE A 44 23.903 30.293 24.678 1.00 49.73 H new ATOM 0 HD13 ILE A 44 25.314 29.552 23.885 1.00 49.73 H new ATOM 716 N PHE A 45 23.004 29.496 20.295 1.00 49.53 N ATOM 717 CA PHE A 45 22.014 29.354 19.215 1.00 50.07 C ATOM 718 C PHE A 45 20.642 28.737 19.547 1.00 50.51 C ATOM 719 O PHE A 45 20.518 27.571 19.923 1.00 49.49 O ATOM 720 CB PHE A 45 22.638 28.567 18.062 1.00 49.82 C ATOM 721 CG PHE A 45 21.666 28.218 16.971 1.00 50.00 C ATOM 722 CD1 PHE A 45 21.295 29.163 16.026 1.00 49.88 C ATOM 723 CD2 PHE A 45 21.119 26.946 16.887 1.00 49.88 C ATOM 724 CE1 PHE A 45 20.400 28.843 15.021 1.00 49.88 C ATOM 725 CE2 PHE A 45 20.227 26.623 15.884 1.00 49.88 C ATOM 726 CZ PHE A 45 19.866 27.575 14.951 1.00 49.88 C ATOM 0 H PHE A 45 22.923 28.800 21.036 1.00 49.53 H new ATOM 0 HA PHE A 45 21.774 30.388 18.968 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.454 29.150 17.636 1.00 49.82 H new ATOM 0 HB3 PHE A 45 23.074 27.649 18.455 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.709 30.159 16.075 1.00 49.88 H new ATOM 0 HD2 PHE A 45 21.395 26.198 17.616 1.00 49.88 H new ATOM 0 HE1 PHE A 45 20.120 29.588 14.291 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.812 25.627 15.829 1.00 49.88 H new ATOM 0 HZ PHE A 45 19.166 27.326 14.167 1.00 49.88 H new ATOM 736 N ALA A 46 19.670 29.611 19.454 1.00 49.53 N ATOM 737 CA ALA A 46 18.249 29.267 19.665 1.00 50.07 C ATOM 738 C ALA A 46 17.913 28.788 21.069 1.00 50.51 C ATOM 739 O ALA A 46 16.938 28.056 21.294 1.00 49.49 O ATOM 740 CB ALA A 46 17.822 28.242 18.664 1.00 49.73 C ATOM 0 H ALA A 46 19.824 30.594 19.229 1.00 49.53 H new ATOM 0 HA ALA A 46 17.697 30.197 19.531 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.773 27.992 18.824 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.950 28.641 17.658 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.431 27.345 18.779 1.00 49.73 H new ATOM 746 N GLY A 47 18.777 29.140 21.976 1.00 49.53 N ATOM 747 CA GLY A 47 18.762 28.849 23.380 1.00 49.98 C ATOM 748 C GLY A 47 19.445 27.574 23.803 1.00 50.51 C ATOM 749 O GLY A 47 19.468 27.258 25.014 1.00 49.49 O ATOM 0 H GLY A 47 19.594 29.696 21.723 1.00 49.53 H new ATOM 0 HA2 GLY A 47 19.231 29.680 23.907 1.00 49.98 H new ATOM 0 HA3 GLY A 47 17.724 28.807 23.710 1.00 49.98 H new ATOM 753 N LYS A 48 20.041 26.862 22.886 1.00 49.53 N ATOM 754 CA LYS A 48 20.778 25.630 23.197 1.00 50.07 C ATOM 755 C LYS A 48 22.245 26.043 22.982 1.00 50.51 C ATOM 756 O LYS A 48 22.601 26.348 21.854 1.00 49.49 O ATOM 757 CB LYS A 48 20.376 24.482 22.271 1.00 49.82 C ATOM 758 CG LYS A 48 18.886 24.165 22.271 1.00 49.82 C ATOM 759 CD LYS A 48 18.609 22.803 21.652 1.00 49.82 C ATOM 760 CE LYS A 48 17.119 22.497 21.627 1.00 50.21 C ATOM 761 NZ LYS A 48 16.387 23.377 20.675 1.00 49.70 N ATOM 0 H LYS A 48 20.040 27.105 21.895 1.00 49.53 H new ATOM 0 HA LYS A 48 20.580 25.256 24.202 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.683 24.727 21.254 1.00 49.82 H new ATOM 0 HB3 LYS A 48 20.925 23.587 22.563 1.00 49.82 H new ATOM 0 HG2 LYS A 48 18.508 24.186 23.293 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.349 24.934 21.717 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.005 22.776 20.637 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.131 22.031 22.218 1.00 49.82 H new ATOM 0 HE2 LYS A 48 16.967 21.454 21.348 1.00 50.21 H new ATOM 0 HE3 LYS A 48 16.706 22.622 22.628 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.413 23.030 20.560 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 16.367 24.348 21.046 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 16.869 23.368 19.753 1.00 49.70 H new ATOM 775 N GLN A 49 23.039 26.032 24.019 1.00 49.53 N ATOM 776 CA GLN A 49 24.495 26.305 23.851 1.00 50.07 C ATOM 777 C GLN A 49 25.168 25.111 23.178 1.00 50.51 C ATOM 778 O GLN A 49 25.012 23.970 23.683 1.00 49.49 O ATOM 779 CB GLN A 49 25.154 26.583 25.205 1.00 49.82 C ATOM 780 CG GLN A 49 26.564 27.136 25.109 1.00 49.82 C ATOM 781 CD GLN A 49 27.310 27.055 26.427 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.721 25.974 26.858 1.00 49.45 O ATOM 783 NE2 GLN A 49 27.486 28.199 27.079 1.00 49.38 N ATOM 0 H GLN A 49 22.741 25.845 24.977 1.00 49.53 H new ATOM 0 HA GLN A 49 24.614 27.189 23.224 1.00 50.07 H new ATOM 0 HB2 GLN A 49 24.536 27.289 25.759 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.177 25.658 25.782 1.00 49.82 H new ATOM 0 HG2 GLN A 49 27.116 26.584 24.348 1.00 49.82 H new ATOM 0 HG3 GLN A 49 26.522 28.175 24.782 1.00 49.82 H new ATOM 0 HE21 GLN A 49 27.130 29.070 26.686 1.00 49.38 H new ATOM 0 HE22 GLN A 49 27.978 28.206 27.973 1.00 49.38 H new ATOM 792 N LEU A 50 25.843 25.330 22.074 1.00 49.53 N ATOM 793 CA LEU A 50 26.456 24.241 21.297 1.00 50.07 C ATOM 794 C LEU A 50 27.529 23.488 22.065 1.00 50.51 C ATOM 795 O LEU A 50 28.453 24.131 22.523 1.00 49.49 O ATOM 796 CB LEU A 50 27.038 24.796 19.991 1.00 49.82 C ATOM 797 CG LEU A 50 26.052 25.583 19.119 1.00 49.91 C ATOM 798 CD1 LEU A 50 26.803 26.336 18.030 1.00 49.73 C ATOM 799 CD2 LEU A 50 25.037 24.626 18.510 1.00 49.73 C ATOM 0 H LEU A 50 25.991 26.258 21.678 1.00 49.53 H new ATOM 0 HA LEU A 50 25.664 23.524 21.082 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.880 25.444 20.234 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.433 23.965 19.406 1.00 49.82 H new ATOM 0 HG LEU A 50 25.524 26.311 19.734 1.00 49.91 H new ATOM 0 HD11 LEU A 50 26.094 26.892 17.416 1.00 49.73 H new ATOM 0 HD12 LEU A 50 27.508 27.030 18.488 1.00 49.73 H new ATOM 0 HD13 LEU A 50 27.346 25.627 17.405 1.00 49.73 H new ATOM 0 HD21 LEU A 50 24.336 25.185 17.890 1.00 49.73 H new ATOM 0 HD22 LEU A 50 25.555 23.888 17.897 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.492 24.118 19.306 1.00 49.73 H new ATOM 811 N GLU A 51 27.387 22.167 22.181 1.00 49.53 N ATOM 812 CA GLU A 51 28.361 21.372 22.957 1.00 50.07 C ATOM 813 C GLU A 51 29.474 21.028 22.006 1.00 50.51 C ATOM 814 O GLU A 51 29.229 20.940 20.804 1.00 49.49 O ATOM 815 CB GLU A 51 27.716 20.106 23.526 1.00 49.82 C ATOM 816 CG GLU A 51 26.645 20.364 24.577 1.00 49.72 C ATOM 817 CD GLU A 51 25.869 19.115 24.886 1.00 50.62 C ATOM 818 OE1 GLU A 51 26.479 18.127 25.220 1.00 49.24 O ATOM 819 OE2 GLU A 51 24.663 19.176 24.898 1.00 49.24 O ATOM 0 H GLU A 51 26.629 21.628 21.762 1.00 49.53 H new ATOM 0 HA GLU A 51 28.732 21.936 23.813 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.275 19.538 22.707 1.00 49.82 H new ATOM 0 HB3 GLU A 51 28.495 19.481 23.964 1.00 49.82 H new ATOM 0 HG2 GLU A 51 27.110 20.740 25.488 1.00 49.72 H new ATOM 0 HG3 GLU A 51 25.965 21.139 24.223 1.00 49.72 H new ATOM 826 N ASP A 52 30.683 20.825 22.466 1.00 49.53 N ATOM 827 CA ASP A 52 31.878 20.570 21.668 1.00 50.07 C ATOM 828 C ASP A 52 31.885 19.380 20.726 1.00 50.51 C ATOM 829 O ASP A 52 32.548 19.463 19.653 1.00 49.49 O ATOM 830 CB ASP A 52 33.091 20.465 22.595 1.00 49.72 C ATOM 831 CG ASP A 52 34.385 20.069 21.895 1.00 50.62 C ATOM 832 OD1 ASP A 52 34.814 20.792 21.028 1.00 49.24 O ATOM 833 OD2 ASP A 52 35.013 19.136 22.336 1.00 49.24 O ATOM 0 H ASP A 52 30.882 20.832 23.466 1.00 49.53 H new ATOM 0 HA ASP A 52 31.905 21.427 20.995 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.239 21.425 23.090 1.00 49.72 H new ATOM 0 HB3 ASP A 52 32.875 19.734 23.374 1.00 49.72 H new ATOM 838 N GLY A 53 31.301 18.273 21.130 1.00 49.53 N ATOM 839 CA GLY A 53 31.273 17.016 20.359 1.00 49.98 C ATOM 840 C GLY A 53 29.968 16.740 19.690 1.00 50.51 C ATOM 841 O GLY A 53 29.567 15.565 19.528 1.00 49.49 O ATOM 0 H GLY A 53 30.816 18.204 22.025 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.057 17.049 19.602 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.509 16.187 21.027 1.00 49.98 H new ATOM 845 N ARG A 54 29.241 17.758 19.245 1.00 49.53 N ATOM 846 CA ARG A 54 27.976 17.560 18.506 1.00 50.07 C ATOM 847 C ARG A 54 28.135 17.947 17.044 1.00 50.51 C ATOM 848 O ARG A 54 29.023 18.752 16.692 1.00 49.49 O ATOM 849 CB ARG A 54 26.811 18.292 19.155 1.00 49.82 C ATOM 850 CG ARG A 54 26.572 17.945 20.616 1.00 49.82 C ATOM 851 CD ARG A 54 25.930 16.624 20.835 1.00 50.20 C ATOM 852 NE ARG A 54 25.727 16.277 22.232 1.00 49.30 N ATOM 853 CZ ARG A 54 25.142 15.141 22.661 1.00 50.64 C ATOM 854 NH1 ARG A 54 24.669 14.260 21.809 1.00 49.20 N ATOM 855 NH2 ARG A 54 25.035 14.949 23.964 1.00 49.20 N ATOM 0 H ARG A 54 29.497 18.736 19.378 1.00 49.53 H new ATOM 0 HA ARG A 54 27.738 16.497 18.549 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.985 19.365 19.075 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.904 18.073 18.591 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.526 17.963 21.142 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.947 18.718 21.063 1.00 49.82 H new ATOM 0 HD2 ARG A 54 24.965 16.614 20.327 1.00 50.20 H new ATOM 0 HD3 ARG A 54 26.544 15.854 20.368 1.00 50.20 H new ATOM 0 HE ARG A 54 26.050 16.940 22.937 1.00 49.30 H new ATOM 0 HH11 ARG A 54 24.742 14.431 20.806 1.00 49.20 H new ATOM 0 HH12 ARG A 54 24.229 13.405 22.151 1.00 49.20 H new ATOM 0 HH21 ARG A 54 25.390 15.650 24.614 1.00 49.20 H new ATOM 0 HH22 ARG A 54 24.597 14.099 24.320 1.00 49.20 H new ATOM 869 N THR A 55 27.244 17.470 16.211 1.00 49.53 N ATOM 870 CA THR A 55 27.204 17.790 14.766 1.00 50.07 C ATOM 871 C THR A 55 26.281 18.983 14.421 1.00 50.51 C ATOM 872 O THR A 55 25.731 19.619 15.313 1.00 49.49 O ATOM 873 CB THR A 55 26.760 16.569 13.939 1.00 50.14 C ATOM 874 OG1 THR A 55 25.419 16.208 14.296 1.00 49.34 O ATOM 875 CG2 THR A 55 27.684 15.389 14.192 1.00 49.73 C ATOM 0 H THR A 55 26.502 16.834 16.503 1.00 49.53 H new ATOM 0 HA THR A 55 28.225 18.073 14.509 1.00 50.07 H new ATOM 0 HB THR A 55 26.803 16.830 12.882 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.138 15.432 13.768 1.00 49.34 H new ATOM 0 HG21 THR A 55 27.355 14.535 13.599 1.00 49.73 H new ATOM 0 HG22 THR A 55 28.702 15.657 13.909 1.00 49.73 H new ATOM 0 HG23 THR A 55 27.659 15.127 15.250 1.00 49.73 H new ATOM 883 N LEU A 56 26.136 19.235 13.135 1.00 49.53 N ATOM 884 CA LEU A 56 25.246 20.297 12.635 1.00 50.07 C ATOM 885 C LEU A 56 23.756 20.021 12.457 1.00 50.51 C ATOM 886 O LEU A 56 22.987 20.938 12.571 1.00 49.49 O ATOM 887 CB LEU A 56 25.807 20.824 11.308 1.00 49.82 C ATOM 888 CG LEU A 56 27.202 21.456 11.394 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.796 21.600 10.000 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.105 22.810 12.081 1.00 49.73 C ATOM 0 H LEU A 56 26.623 18.720 12.401 1.00 49.53 H new ATOM 0 HA LEU A 56 25.255 21.012 13.458 1.00 50.07 H new ATOM 0 HB2 LEU A 56 25.842 20.001 10.594 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.114 21.564 10.907 1.00 49.82 H new ATOM 0 HG LEU A 56 27.858 20.812 11.979 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.786 22.050 10.071 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.876 20.617 9.535 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.151 22.236 9.394 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.096 23.259 12.142 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.446 23.462 11.508 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.703 22.680 13.086 1.00 49.73 H new ATOM 902 N SER A 57 23.377 18.735 12.308 1.00 49.53 N ATOM 903 CA SER A 57 21.929 18.468 12.122 1.00 50.07 C ATOM 904 C SER A 57 21.136 18.260 13.393 1.00 50.51 C ATOM 905 O SER A 57 19.900 18.539 13.429 1.00 49.49 O ATOM 906 CB SER A 57 21.751 17.268 11.213 1.00 50.05 C ATOM 907 OG SER A 57 20.400 16.962 11.002 1.00 49.34 O ATOM 0 H SER A 57 23.993 17.922 12.311 1.00 49.53 H new ATOM 0 HA SER A 57 21.524 19.377 11.678 1.00 50.07 H new ATOM 0 HB2 SER A 57 22.231 17.465 10.255 1.00 50.05 H new ATOM 0 HB3 SER A 57 22.254 16.405 11.650 1.00 50.05 H new ATOM 0 HG SER A 57 20.329 16.184 10.410 1.00 49.34 H new ATOM 913 N ASP A 58 21.791 17.794 14.441 1.00 49.53 N ATOM 914 CA ASP A 58 21.110 17.556 15.741 1.00 50.07 C ATOM 915 C ASP A 58 20.426 18.788 16.342 1.00 50.51 C ATOM 916 O ASP A 58 19.433 18.705 17.072 1.00 49.49 O ATOM 917 CB ASP A 58 22.104 16.982 16.755 1.00 49.72 C ATOM 918 CG ASP A 58 22.305 15.476 16.654 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.044 15.051 15.796 1.00 49.24 O ATOM 920 OD2 ASP A 58 21.849 14.777 17.525 1.00 49.24 O ATOM 0 H ASP A 58 22.786 17.568 14.438 1.00 49.53 H new ATOM 0 HA ASP A 58 20.313 16.845 15.524 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.067 17.475 16.621 1.00 49.72 H new ATOM 0 HB3 ASP A 58 21.760 17.224 17.760 1.00 49.72 H new ATOM 925 N TYR A 59 21.050 19.914 16.155 1.00 49.53 N ATOM 926 CA TYR A 59 20.569 21.210 16.629 1.00 50.07 C ATOM 927 C TYR A 59 19.684 21.856 15.587 1.00 50.51 C ATOM 928 O TYR A 59 19.456 23.078 15.696 1.00 49.49 O ATOM 929 CB TYR A 59 21.744 22.130 16.969 1.00 49.82 C ATOM 930 CG TYR A 59 22.413 21.807 18.286 1.00 50.00 C ATOM 931 CD1 TYR A 59 21.716 21.907 19.481 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.739 21.403 18.332 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.321 21.614 20.687 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.356 21.107 19.533 1.00 49.88 C ATOM 935 CZ TYR A 59 23.642 21.214 20.710 1.00 50.11 C ATOM 936 OH TYR A 59 24.251 20.921 21.909 1.00 49.46 O ATOM 0 H TYR A 59 21.937 19.974 15.655 1.00 49.53 H new ATOM 0 HA TYR A 59 19.984 21.048 17.534 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.484 22.068 16.172 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.390 23.161 16.995 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.682 22.219 19.468 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.300 21.318 17.413 1.00 49.88 H new ATOM 0 HE1 TYR A 59 21.763 21.697 21.608 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.390 20.794 19.551 1.00 49.88 H new ATOM 0 HH TYR A 59 24.414 19.956 21.966 1.00 49.46 H new ATOM 946 N ASN A 60 19.157 21.160 14.603 1.00 49.53 N ATOM 947 CA ASN A 60 18.297 21.832 13.609 1.00 50.07 C ATOM 948 C ASN A 60 18.896 23.117 13.049 1.00 50.51 C ATOM 949 O ASN A 60 18.171 24.070 12.702 1.00 49.49 O ATOM 950 CB ASN A 60 16.921 22.117 14.183 1.00 49.82 C ATOM 951 CG ASN A 60 16.035 20.905 14.260 1.00 50.55 C ATOM 952 OD1 ASN A 60 15.914 20.136 13.299 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.352 20.774 15.369 1.00 49.38 N ATOM 0 H ASN A 60 19.293 20.160 14.457 1.00 49.53 H new ATOM 0 HA ASN A 60 18.213 21.132 12.777 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.034 22.538 15.182 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.432 22.875 13.571 1.00 49.82 H new ATOM 0 HD21 ASN A 60 14.683 20.010 15.469 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.489 21.436 16.133 1.00 49.38 H new ATOM 960 N ILE A 61 20.201 23.140 12.878 1.00 49.53 N ATOM 961 CA ILE A 61 20.883 24.313 12.251 1.00 50.07 C ATOM 962 C ILE A 61 20.806 24.089 10.743 1.00 50.51 C ATOM 963 O ILE A 61 21.729 23.371 10.257 1.00 49.49 O ATOM 964 CB ILE A 61 22.353 24.439 12.691 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.442 24.625 14.208 1.00 49.82 C ATOM 966 CG2 ILE A 61 23.027 25.595 11.968 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.850 24.540 14.751 1.00 49.73 C ATOM 0 H ILE A 61 20.827 22.383 13.152 1.00 49.53 H new ATOM 0 HA ILE A 61 20.395 25.238 12.559 1.00 50.07 H new ATOM 0 HB ILE A 61 22.875 23.519 12.427 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.019 25.594 14.471 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.828 23.867 14.694 1.00 49.82 H new ATOM 0 HG21 ILE A 61 24.065 25.670 12.291 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.993 25.421 10.893 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.506 26.524 12.202 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.832 24.681 15.832 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.271 23.561 14.520 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.464 25.316 14.294 1.00 49.73 H new ATOM 979 N GLN A 62 19.797 24.588 10.088 1.00 49.53 N ATOM 980 CA GLN A 62 19.577 24.378 8.626 1.00 50.07 C ATOM 981 C GLN A 62 20.207 25.611 7.974 1.00 50.51 C ATOM 982 O GLN A 62 20.794 26.450 8.680 1.00 49.49 O ATOM 983 CB GLN A 62 18.086 24.283 8.291 1.00 49.82 C ATOM 984 CG GLN A 62 17.450 22.952 8.652 1.00 49.82 C ATOM 985 CD GLN A 62 15.960 22.927 8.371 1.00 50.55 C ATOM 986 OE1 GLN A 62 15.411 23.857 7.773 1.00 49.45 O ATOM 987 NE2 GLN A 62 15.295 21.863 8.805 1.00 49.38 N ATOM 0 H GLN A 62 19.079 25.162 10.529 1.00 49.53 H new ATOM 0 HA GLN A 62 20.015 23.444 8.273 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.556 25.080 8.814 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.953 24.459 7.223 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.936 22.156 8.089 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.621 22.746 9.709 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.789 21.117 9.295 1.00 49.38 H new ATOM 0 HE22 GLN A 62 14.290 21.791 8.648 1.00 49.38 H new ATOM 996 N LYS A 63 20.101 25.734 6.652 1.00 49.53 N ATOM 997 CA LYS A 63 20.711 26.820 5.918 1.00 50.07 C ATOM 998 C LYS A 63 20.339 28.251 6.298 1.00 50.51 C ATOM 999 O LYS A 63 19.225 28.574 6.677 1.00 49.49 O ATOM 1000 CB LYS A 63 20.451 26.628 4.422 1.00 49.82 C ATOM 1001 CG LYS A 63 18.978 26.517 4.049 1.00 49.82 C ATOM 1002 CD LYS A 63 18.784 26.581 2.542 1.00 49.82 C ATOM 1003 CE LYS A 63 17.311 26.498 2.169 1.00 50.21 C ATOM 1004 NZ LYS A 63 17.111 26.443 0.696 1.00 49.70 N ATOM 0 H LYS A 63 19.586 25.077 6.066 1.00 49.53 H new ATOM 0 HA LYS A 63 21.762 26.744 6.196 1.00 50.07 H new ATOM 0 HB2 LYS A 63 20.889 27.466 3.879 1.00 49.82 H new ATOM 0 HB3 LYS A 63 20.967 25.727 4.088 1.00 49.82 H new ATOM 0 HG2 LYS A 63 18.574 25.579 4.431 1.00 49.82 H new ATOM 0 HG3 LYS A 63 18.418 27.322 4.525 1.00 49.82 H new ATOM 0 HD2 LYS A 63 19.207 27.510 2.158 1.00 49.82 H new ATOM 0 HD3 LYS A 63 19.328 25.764 2.068 1.00 49.82 H new ATOM 0 HE2 LYS A 63 16.870 25.613 2.628 1.00 50.21 H new ATOM 0 HE3 LYS A 63 16.785 27.363 2.574 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 16.094 26.387 0.486 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 17.508 27.299 0.259 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 17.591 25.604 0.312 1.00 49.70 H new ATOM 1018 N GLU A 64 21.385 29.088 6.231 1.00 49.53 N ATOM 1019 CA GLU A 64 21.343 30.497 6.521 1.00 50.07 C ATOM 1020 C GLU A 64 20.783 30.946 7.839 1.00 50.51 C ATOM 1021 O GLU A 64 20.088 31.987 7.952 1.00 49.49 O ATOM 1022 CB GLU A 64 20.590 31.219 5.401 1.00 49.82 C ATOM 1023 CG GLU A 64 21.196 31.038 4.017 1.00 49.72 C ATOM 1024 CD GLU A 64 20.552 31.952 3.014 1.00 50.62 C ATOM 1025 OE1 GLU A 64 19.655 32.671 3.384 1.00 49.24 O ATOM 1026 OE2 GLU A 64 21.027 32.014 1.905 1.00 49.24 O ATOM 0 H GLU A 64 22.316 28.770 5.960 1.00 49.53 H new ATOM 0 HA GLU A 64 22.399 30.760 6.591 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.560 30.861 5.383 1.00 49.82 H new ATOM 0 HB3 GLU A 64 20.554 32.284 5.632 1.00 49.82 H new ATOM 0 HG2 GLU A 64 22.267 31.237 4.058 1.00 49.72 H new ATOM 0 HG3 GLU A 64 21.076 30.003 3.698 1.00 49.72 H new ATOM 1033 N SER A 65 21.200 30.251 8.885 1.00 49.53 N ATOM 1034 CA SER A 65 20.863 30.592 10.273 1.00 50.07 C ATOM 1035 C SER A 65 22.011 31.492 10.788 1.00 50.51 C ATOM 1036 O SER A 65 22.756 32.059 9.996 1.00 49.49 O ATOM 1037 CB SER A 65 20.721 29.342 11.118 1.00 50.05 C ATOM 1038 OG SER A 65 21.937 28.660 11.261 1.00 49.34 O ATOM 0 H SER A 65 21.790 29.423 8.802 1.00 49.53 H new ATOM 0 HA SER A 65 19.906 31.110 10.333 1.00 50.07 H new ATOM 0 HB2 SER A 65 20.340 29.612 12.103 1.00 50.05 H new ATOM 0 HB3 SER A 65 19.986 28.679 10.662 1.00 50.05 H new ATOM 0 HG SER A 65 22.254 28.746 12.184 1.00 49.34 H new ATOM 1044 N THR A 66 21.767 32.212 11.851 1.00 49.53 N ATOM 1045 CA THR A 66 22.788 33.042 12.499 1.00 50.07 C ATOM 1046 C THR A 66 23.258 32.466 13.834 1.00 50.51 C ATOM 1047 O THR A 66 22.392 32.171 14.689 1.00 49.49 O ATOM 1048 CB THR A 66 22.279 34.477 12.730 1.00 50.14 C ATOM 1049 OG1 THR A 66 22.090 35.130 11.467 1.00 49.34 O ATOM 1050 CG2 THR A 66 23.274 35.270 13.562 1.00 49.73 C ATOM 0 H THR A 66 20.855 32.250 12.306 1.00 49.53 H new ATOM 0 HA THR A 66 23.635 33.055 11.813 1.00 50.07 H new ATOM 0 HB THR A 66 21.332 34.427 13.267 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.764 36.042 11.616 1.00 49.34 H new ATOM 0 HG21 THR A 66 22.897 36.281 13.714 1.00 49.73 H new ATOM 0 HG22 THR A 66 23.410 34.784 14.528 1.00 49.73 H new ATOM 0 HG23 THR A 66 24.230 35.314 13.041 1.00 49.73 H new ATOM 1058 N LEU A 67 24.563 32.217 13.980 1.00 49.53 N ATOM 1059 CA LEU A 67 25.092 31.766 15.272 1.00 50.07 C ATOM 1060 C LEU A 67 25.628 32.974 16.067 1.00 50.51 C ATOM 1061 O LEU A 67 26.194 33.839 15.378 1.00 49.49 O ATOM 1062 CB LEU A 67 26.197 30.723 15.063 1.00 49.82 C ATOM 1063 CG LEU A 67 25.727 29.378 14.492 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.922 28.467 14.251 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.741 28.733 15.456 1.00 49.73 C ATOM 0 H LEU A 67 25.258 32.317 13.240 1.00 49.53 H new ATOM 0 HA LEU A 67 24.288 31.299 15.842 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.948 31.142 14.393 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.689 30.542 16.019 1.00 49.82 H new ATOM 0 HG LEU A 67 25.227 29.543 13.538 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.578 27.515 13.846 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.602 28.939 13.542 1.00 49.73 H new ATOM 0 HD13 LEU A 67 27.443 28.293 15.193 1.00 49.73 H new ATOM 0 HD21 LEU A 67 24.407 27.778 15.050 1.00 49.73 H new ATOM 0 HD22 LEU A 67 25.227 28.569 16.418 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.882 29.390 15.591 1.00 49.73 H new ATOM 1077 N HIS A 68 25.464 32.976 17.341 1.00 49.53 N ATOM 1078 CA HIS A 68 26.007 34.099 18.144 1.00 50.07 C ATOM 1079 C HIS A 68 27.415 33.736 18.611 1.00 50.51 C ATOM 1080 O HIS A 68 27.672 32.589 19.036 1.00 49.49 O ATOM 1081 CB HIS A 68 25.106 34.402 19.345 1.00 49.92 C ATOM 1082 CG HIS A 68 23.873 35.172 18.994 1.00 50.22 C ATOM 1083 ND1 HIS A 68 22.668 34.560 18.717 1.00 49.30 N ATOM 1084 CD2 HIS A 68 23.656 36.503 18.871 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.762 35.483 18.440 1.00 50.25 C ATOM 1086 NE2 HIS A 68 22.337 36.669 18.527 1.00 49.64 N ATOM 0 H HIS A 68 24.978 32.252 17.871 1.00 49.53 H new ATOM 0 HA HIS A 68 26.043 34.996 17.526 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.815 33.463 19.816 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.677 34.965 20.083 1.00 49.92 H new ATOM 0 HD2 HIS A 68 24.384 37.287 19.016 1.00 49.95 H new ATOM 0 HE1 HIS A 68 20.729 35.298 18.186 1.00 50.25 H new ATOM 0 HE2 HIS A 68 21.876 37.564 18.365 1.00 49.64 H new ATOM 1094 N LEU A 69 28.314 34.706 18.597 1.00 49.53 N ATOM 1095 CA LEU A 69 29.674 34.511 19.087 1.00 50.07 C ATOM 1096 C LEU A 69 29.742 35.345 20.330 1.00 50.51 C ATOM 1097 O LEU A 69 29.119 36.466 20.330 1.00 49.49 O ATOM 1098 CB LEU A 69 30.709 34.961 18.048 1.00 49.82 C ATOM 1099 CG LEU A 69 32.164 34.959 18.532 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.648 33.528 18.724 1.00 49.73 C ATOM 1101 CD2 LEU A 69 33.037 35.694 17.526 1.00 49.73 C ATOM 0 H LEU A 69 28.126 35.646 18.249 1.00 49.53 H new ATOM 0 HA LEU A 69 29.900 33.463 19.283 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.632 34.311 17.177 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.454 35.968 17.718 1.00 49.82 H new ATOM 0 HG LEU A 69 32.228 35.472 19.491 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.682 33.537 19.068 1.00 49.73 H new ATOM 0 HD12 LEU A 69 32.023 33.029 19.465 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.585 32.992 17.777 1.00 49.73 H new ATOM 0 HD21 LEU A 69 34.071 35.692 17.871 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.976 35.195 16.559 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.690 36.722 17.426 1.00 49.73 H new ATOM 1113 N VAL A 70 30.370 34.894 21.367 1.00 49.53 N ATOM 1114 CA VAL A 70 30.556 35.732 22.587 1.00 50.07 C ATOM 1115 C VAL A 70 32.020 35.446 22.954 1.00 50.51 C ATOM 1116 O VAL A 70 32.431 34.264 22.934 1.00 49.49 O ATOM 1117 CB VAL A 70 29.619 35.327 23.741 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.943 36.126 24.995 1.00 49.73 C ATOM 1119 CG2 VAL A 70 28.165 35.530 23.343 1.00 49.73 C ATOM 0 H VAL A 70 30.774 33.960 21.429 1.00 49.53 H new ATOM 0 HA VAL A 70 30.327 36.783 22.410 1.00 50.07 H new ATOM 0 HB VAL A 70 29.774 34.270 23.955 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.272 35.827 25.800 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.974 35.934 25.292 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.816 37.189 24.792 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.517 35.239 24.170 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.997 36.580 23.102 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.938 34.917 22.471 1.00 49.73 H new ATOM 1129 N LEU A 71 32.783 36.472 23.247 1.00 49.53 N ATOM 1130 CA LEU A 71 34.197 36.282 23.645 1.00 50.07 C ATOM 1131 C LEU A 71 34.297 35.790 25.065 1.00 50.51 C ATOM 1132 O LEU A 71 33.786 36.427 26.006 1.00 49.49 O ATOM 1133 CB LEU A 71 34.976 37.593 23.477 1.00 49.82 C ATOM 1134 CG LEU A 71 35.754 37.725 22.162 1.00 49.91 C ATOM 1135 CD1 LEU A 71 34.816 38.155 21.042 1.00 49.73 C ATOM 1136 CD2 LEU A 71 36.881 38.732 22.337 1.00 49.73 C ATOM 0 H LEU A 71 32.473 37.444 23.224 1.00 49.53 H new ATOM 0 HA LEU A 71 34.636 35.526 22.994 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.276 38.425 23.552 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.676 37.690 24.307 1.00 49.82 H new ATOM 0 HG LEU A 71 36.184 36.760 21.895 1.00 49.91 H new ATOM 0 HD11 LEU A 71 35.377 38.246 20.112 1.00 49.73 H new ATOM 0 HD12 LEU A 71 34.030 37.410 20.920 1.00 49.73 H new ATOM 0 HD13 LEU A 71 34.369 39.117 21.291 1.00 49.73 H new ATOM 0 HD21 LEU A 71 37.434 38.826 21.402 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.464 39.701 22.610 1.00 49.73 H new ATOM 0 HD23 LEU A 71 37.554 38.392 23.124 1.00 49.73 H new ATOM 1148 N ARG A 72 34.995 34.737 25.275 1.00 49.53 N ATOM 1149 CA ARG A 72 35.234 34.170 26.620 1.00 50.07 C ATOM 1150 C ARG A 72 36.694 34.391 27.009 1.00 50.51 C ATOM 1151 O ARG A 72 37.485 33.531 26.506 1.00 49.49 O ATOM 1152 CB ARG A 72 34.839 32.704 26.712 1.00 49.82 C ATOM 1153 CG ARG A 72 35.171 32.034 28.036 1.00 49.82 C ATOM 1154 CD ARG A 72 34.938 30.567 28.054 1.00 50.20 C ATOM 1155 NE ARG A 72 35.191 29.933 29.338 1.00 49.30 N ATOM 1156 CZ ARG A 72 36.397 29.497 29.751 1.00 50.64 C ATOM 1157 NH1 ARG A 72 37.454 29.589 28.974 1.00 49.20 N ATOM 1158 NH2 ARG A 72 36.485 28.952 30.952 1.00 49.20 N ATOM 0 H ARG A 72 35.441 34.208 24.525 1.00 49.53 H new ATOM 0 HA ARG A 72 34.594 34.692 27.331 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.766 32.620 26.538 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.336 32.158 25.910 1.00 49.82 H new ATOM 0 HG2 ARG A 72 36.217 32.227 28.275 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.574 32.495 28.823 1.00 49.82 H new ATOM 0 HD2 ARG A 72 33.906 30.372 27.764 1.00 50.20 H new ATOM 0 HD3 ARG A 72 35.574 30.101 27.301 1.00 50.20 H new ATOM 0 HE ARG A 72 34.400 29.810 29.970 1.00 49.30 H new ATOM 0 HH11 ARG A 72 37.368 29.996 28.042 1.00 49.20 H new ATOM 0 HH12 ARG A 72 38.359 29.254 29.303 1.00 49.20 H new ATOM 0 HH21 ARG A 72 35.654 28.871 31.537 1.00 49.20 H new ATOM 0 HH22 ARG A 72 37.384 28.612 31.293 1.00 49.20 H new ATOM 1172 N LEU A 73 37.035 35.378 27.770 1.00 49.53 N ATOM 1173 CA LEU A 73 38.461 35.584 28.125 1.00 50.07 C ATOM 1174 C LEU A 73 38.839 34.931 29.448 1.00 50.51 C ATOM 1175 O LEU A 73 38.115 35.042 30.449 1.00 49.49 O ATOM 1176 CB LEU A 73 38.778 37.085 28.169 1.00 49.82 C ATOM 1177 CG LEU A 73 38.584 37.831 26.844 1.00 49.91 C ATOM 1178 CD1 LEU A 73 39.047 39.274 26.985 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.356 37.123 25.742 1.00 49.73 C ATOM 0 H LEU A 73 36.386 36.058 28.166 1.00 49.53 H new ATOM 0 HA LEU A 73 39.057 35.101 27.351 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.148 37.551 28.926 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.811 37.213 28.492 1.00 49.82 H new ATOM 0 HG LEU A 73 37.526 37.836 26.582 1.00 49.91 H new ATOM 0 HD11 LEU A 73 38.905 39.796 26.039 1.00 49.73 H new ATOM 0 HD12 LEU A 73 38.465 39.769 27.763 1.00 49.73 H new ATOM 0 HD13 LEU A 73 40.103 39.293 27.255 1.00 49.73 H new ATOM 0 HD21 LEU A 73 39.217 37.655 24.801 1.00 49.73 H new ATOM 0 HD22 LEU A 73 40.416 37.104 25.995 1.00 49.73 H new ATOM 0 HD23 LEU A 73 38.989 36.102 25.639 1.00 49.73 H new ATOM 1191 N ARG A 74 39.979 34.260 29.404 1.00 49.53 N ATOM 1192 CA ARG A 74 40.517 33.549 30.575 1.00 50.07 C ATOM 1193 C ARG A 74 41.478 34.579 31.163 1.00 50.51 C ATOM 1194 O ARG A 74 42.630 34.704 30.712 1.00 49.49 O ATOM 1195 CB ARG A 74 41.192 32.230 30.229 1.00 49.82 C ATOM 1196 CG ARG A 74 41.896 31.548 31.391 1.00 49.82 C ATOM 1197 CD ARG A 74 42.266 30.132 31.136 1.00 50.20 C ATOM 1198 NE ARG A 74 42.897 29.462 32.263 1.00 49.30 N ATOM 1199 CZ ARG A 74 44.215 29.511 32.542 1.00 50.64 C ATOM 1200 NH1 ARG A 74 45.048 30.163 31.763 1.00 49.20 N ATOM 1201 NH2 ARG A 74 44.651 28.865 33.609 1.00 49.20 N ATOM 0 H ARG A 74 40.560 34.187 28.569 1.00 49.53 H new ATOM 0 HA ARG A 74 39.743 33.231 31.273 1.00 50.07 H new ATOM 0 HB2 ARG A 74 40.442 31.549 29.827 1.00 49.82 H new ATOM 0 HB3 ARG A 74 41.919 32.407 29.436 1.00 49.82 H new ATOM 0 HG2 ARG A 74 42.799 32.109 31.633 1.00 49.82 H new ATOM 0 HG3 ARG A 74 41.249 31.590 32.267 1.00 49.82 H new ATOM 0 HD2 ARG A 74 41.369 29.580 30.857 1.00 50.20 H new ATOM 0 HD3 ARG A 74 42.942 30.094 30.282 1.00 50.20 H new ATOM 0 HE ARG A 74 42.300 28.917 32.886 1.00 49.30 H new ATOM 0 HH11 ARG A 74 44.700 30.642 30.932 1.00 49.20 H new ATOM 0 HH12 ARG A 74 46.042 30.190 31.989 1.00 49.20 H new ATOM 0 HH21 ARG A 74 43.996 28.348 34.195 1.00 49.20 H new ATOM 0 HH22 ARG A 74 45.643 28.883 33.846 1.00 49.20 H new ATOM 1215 N GLY A 75 40.971 35.309 32.150 1.00 49.53 N ATOM 1216 CA GLY A 75 41.728 36.337 32.852 1.00 49.98 C ATOM 1217 C GLY A 75 40.926 37.623 32.876 1.00 50.51 C ATOM 1218 O GLY A 75 40.066 37.884 32.018 1.00 49.49 O ATOM 0 H GLY A 75 40.014 35.202 32.488 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.947 36.013 33.869 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.685 36.501 32.357 1.00 49.98 H new ATOM 1222 N GLY A 76 41.312 38.471 33.811 1.00 49.53 N ATOM 1223 CA GLY A 76 40.714 39.795 34.038 1.00 49.98 C ATOM 1224 C GLY A 76 40.431 39.952 35.541 1.00 50.51 C ATOM 1225 O GLY A 76 39.341 40.476 35.847 1.00 49.49 O ATOM 0 H GLY A 76 42.072 38.261 34.458 1.00 49.53 H new ATOM 0 HA2 GLY A 76 41.389 40.579 33.696 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.792 39.897 33.466 1.00 49.98 H new TER 1229 GLY A 76