USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -80:sc= 1.22 USER MOD Set 1.2: A 57 SER OG : rot -86:sc= 0.921 USER MOD Set 2.1: A 25 ASN : amide:sc= 0.976 K(o=2.1,f=-10!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 163:sc= 1.14 (180deg=0) USER MOD Set 3.1: A 7 THR OG1 : rot 132:sc= 1.72 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.31 (180deg=2.3) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -116:sc= 0.7 (180deg=0.443) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.015 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.068 USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= 1.12 (180deg=-0.12!) USER MOD Single : A 31 GLN : amide:sc= -0.289 K(o=-0.29,f=-2.6) USER MOD Single : A 33 LYS NZ :NH3+ 174:sc=-0.00138 (180deg=-0.0604) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 41 GLN : amide:sc= 1.19 K(o=1.2,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.726 K(o=0.73,f=-4.9!) USER MOD Single : A 59 TYR OH : rot 100:sc= 0.34 USER MOD Single : A 60 ASN : amide:sc= -0.0912 K(o=-0.091,f=-0.72) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0211) USER MOD Single : A 65 SER OG : rot 96:sc= 1.18 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 32.466 51.736 20.070 1.00 0.00 N ATOM 2 CA MET A 1 32.748 51.878 21.506 1.00 0.00 C ATOM 3 C MET A 1 34.246 52.096 21.733 1.00 0.00 C ATOM 4 O MET A 1 35.064 51.650 20.931 1.00 0.00 O ATOM 5 CB MET A 1 32.148 50.750 22.341 1.00 0.00 C ATOM 6 CG MET A 1 32.694 49.342 22.124 1.00 0.00 C ATOM 7 SD MET A 1 34.247 48.975 22.978 1.00 0.00 S ATOM 8 CE MET A 1 34.268 47.171 22.826 1.00 0.00 C ATOM 0 H1 MET A 1 31.442 51.623 19.927 1.00 0.00 H new ATOM 0 H2 MET A 1 32.794 52.585 19.566 1.00 0.00 H new ATOM 0 H3 MET A 1 32.962 50.900 19.700 1.00 0.00 H new ATOM 0 HA MET A 1 32.240 52.772 21.869 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.281 51.003 23.393 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.075 50.727 22.152 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.941 48.624 22.449 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.841 49.188 21.055 1.00 0.00 H new ATOM 0 HE1 MET A 1 35.165 46.776 23.303 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.386 46.755 23.312 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.266 46.895 21.772 1.00 0.00 H new ATOM 20 N GLN A 2 34.578 52.822 22.796 1.00 0.00 N ATOM 21 CA GLN A 2 35.894 53.370 23.056 1.00 0.00 C ATOM 22 C GLN A 2 36.554 52.730 24.280 1.00 0.00 C ATOM 23 O GLN A 2 35.920 52.583 25.322 1.00 0.00 O ATOM 24 CB GLN A 2 35.764 54.887 23.165 1.00 0.00 C ATOM 25 CG GLN A 2 37.096 55.620 23.297 1.00 0.00 C ATOM 26 CD GLN A 2 36.926 57.133 23.150 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.276 57.740 22.139 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.355 57.815 24.138 1.00 0.00 N ATOM 0 H GLN A 2 33.905 53.051 23.527 1.00 0.00 H new ATOM 0 HA GLN A 2 36.565 53.134 22.230 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.242 55.260 22.284 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.143 55.126 24.028 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.540 55.396 24.267 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.788 55.256 22.538 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.057 57.332 24.985 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.215 58.821 24.049 1.00 0.00 H new ATOM 37 N ILE A 3 37.828 52.368 24.161 1.00 0.00 N ATOM 38 CA ILE A 3 38.638 51.781 25.210 1.00 0.00 C ATOM 39 C ILE A 3 40.070 52.321 25.189 1.00 0.00 C ATOM 40 O ILE A 3 40.493 52.950 24.222 1.00 0.00 O ATOM 41 CB ILE A 3 38.631 50.255 25.193 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.391 49.578 24.056 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.228 49.677 25.347 1.00 0.00 C ATOM 44 CD1 ILE A 3 38.833 49.770 22.649 1.00 0.00 C ATOM 0 H ILE A 3 38.342 52.484 23.288 1.00 0.00 H new ATOM 0 HA ILE A 3 38.172 52.084 26.147 1.00 0.00 H new ATOM 0 HB ILE A 3 39.215 50.007 26.079 1.00 0.00 H new ATOM 0 HG12 ILE A 3 40.418 49.944 24.068 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.431 48.509 24.263 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.279 48.588 25.328 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.802 50.004 26.295 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.599 50.025 24.527 1.00 0.00 H new ATOM 0 HD11 ILE A 3 39.462 49.241 21.933 1.00 0.00 H new ATOM 0 HD12 ILE A 3 37.818 49.375 22.603 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.820 50.832 22.405 1.00 0.00 H new ATOM 56 N PHE A 4 40.824 52.045 26.250 1.00 0.00 N ATOM 57 CA PHE A 4 42.134 52.614 26.491 1.00 0.00 C ATOM 58 C PHE A 4 43.194 51.528 26.675 1.00 0.00 C ATOM 59 O PHE A 4 42.958 50.543 27.371 1.00 0.00 O ATOM 60 CB PHE A 4 42.064 53.540 27.702 1.00 0.00 C ATOM 61 CG PHE A 4 40.808 54.374 27.790 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.561 55.381 26.849 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.856 54.110 28.783 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.375 56.122 26.898 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.675 54.859 28.843 1.00 0.00 C ATOM 66 CZ PHE A 4 38.430 55.863 27.898 1.00 0.00 C ATOM 0 H PHE A 4 40.526 51.401 26.982 1.00 0.00 H new ATOM 0 HA PHE A 4 42.434 53.194 25.618 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.148 52.938 28.607 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.926 54.207 27.682 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.291 55.587 26.080 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.034 53.326 29.504 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.189 56.893 26.165 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.951 54.662 29.620 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.515 56.436 27.940 1.00 0.00 H new ATOM 76 N VAL A 5 44.380 51.693 26.093 1.00 0.00 N ATOM 77 CA VAL A 5 45.482 50.758 26.193 1.00 0.00 C ATOM 78 C VAL A 5 46.706 51.470 26.772 1.00 0.00 C ATOM 79 O VAL A 5 47.202 52.424 26.176 1.00 0.00 O ATOM 80 CB VAL A 5 45.817 50.130 24.843 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.842 49.011 25.013 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.600 49.533 24.141 1.00 0.00 C ATOM 0 H VAL A 5 44.600 52.509 25.522 1.00 0.00 H new ATOM 0 HA VAL A 5 45.182 49.949 26.859 1.00 0.00 H new ATOM 0 HB VAL A 5 46.211 50.942 24.232 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.069 48.575 24.040 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.754 49.417 25.451 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.435 48.242 25.670 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.905 49.103 23.187 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.164 48.755 24.767 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.861 50.315 23.966 1.00 0.00 H new ATOM 92 N LYS A 6 47.208 51.010 27.913 1.00 0.00 N ATOM 93 CA LYS A 6 48.436 51.485 28.519 1.00 0.00 C ATOM 94 C LYS A 6 49.650 50.694 28.029 1.00 0.00 C ATOM 95 O LYS A 6 49.566 49.478 27.865 1.00 0.00 O ATOM 96 CB LYS A 6 48.360 51.405 30.041 1.00 0.00 C ATOM 97 CG LYS A 6 47.322 52.350 30.637 1.00 0.00 C ATOM 98 CD LYS A 6 47.329 52.338 32.163 1.00 0.00 C ATOM 99 CE LYS A 6 48.669 52.792 32.736 1.00 0.00 C ATOM 100 NZ LYS A 6 48.578 53.043 34.183 1.00 0.00 N ATOM 0 H LYS A 6 46.754 50.274 28.454 1.00 0.00 H new ATOM 0 HA LYS A 6 48.556 52.526 28.219 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.123 50.382 30.334 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.339 51.638 30.461 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.513 53.363 30.284 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.332 52.069 30.279 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.538 52.990 32.534 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.106 51.332 32.518 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.425 52.030 32.544 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.995 53.700 32.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.505 53.350 34.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.874 53.787 34.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.291 52.170 34.669 1.00 0.00 H new ATOM 114 N THR A 7 50.797 51.351 27.877 1.00 0.00 N ATOM 115 CA THR A 7 52.082 50.711 27.684 1.00 0.00 C ATOM 116 C THR A 7 52.873 50.676 28.994 1.00 0.00 C ATOM 117 O THR A 7 52.683 51.512 29.874 1.00 0.00 O ATOM 118 CB THR A 7 52.909 51.383 26.592 1.00 0.00 C ATOM 119 OG1 THR A 7 53.395 52.635 27.023 1.00 0.00 O ATOM 120 CG2 THR A 7 52.126 51.627 25.305 1.00 0.00 C ATOM 0 H THR A 7 50.853 52.369 27.886 1.00 0.00 H new ATOM 0 HA THR A 7 51.878 49.691 27.359 1.00 0.00 H new ATOM 0 HB THR A 7 53.723 50.687 26.388 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.352 52.701 26.823 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.773 52.107 24.571 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.771 50.675 24.909 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.273 52.273 25.515 1.00 0.00 H new ATOM 128 N LEU A 8 53.800 49.733 29.139 1.00 0.00 N ATOM 129 CA LEU A 8 54.781 49.736 30.205 1.00 0.00 C ATOM 130 C LEU A 8 55.737 50.923 30.074 1.00 0.00 C ATOM 131 O LEU A 8 56.213 51.450 31.078 1.00 0.00 O ATOM 132 CB LEU A 8 55.499 48.390 30.181 1.00 0.00 C ATOM 133 CG LEU A 8 56.482 48.133 31.320 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.834 48.208 32.699 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.082 46.738 31.165 1.00 0.00 C ATOM 0 H LEU A 8 53.887 48.937 28.507 1.00 0.00 H new ATOM 0 HA LEU A 8 54.297 49.861 31.174 1.00 0.00 H new ATOM 0 HB2 LEU A 8 54.748 47.600 30.191 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.038 48.305 29.237 1.00 0.00 H new ATOM 0 HG LEU A 8 57.240 48.914 31.257 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.585 48.016 33.465 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.409 49.201 32.848 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.044 47.461 32.771 1.00 0.00 H new ATOM 0 HD21 LEU A 8 57.785 46.552 31.977 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.286 45.994 31.196 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.605 46.671 30.211 1.00 0.00 H new ATOM 147 N THR A 9 55.944 51.405 28.852 1.00 0.00 N ATOM 148 CA THR A 9 56.704 52.590 28.509 1.00 0.00 C ATOM 149 C THR A 9 55.999 53.906 28.841 1.00 0.00 C ATOM 150 O THR A 9 56.545 54.965 28.538 1.00 0.00 O ATOM 151 CB THR A 9 57.140 52.566 27.047 1.00 0.00 C ATOM 152 OG1 THR A 9 56.016 52.546 26.196 1.00 0.00 O ATOM 153 CG2 THR A 9 57.970 51.334 26.698 1.00 0.00 C ATOM 0 H THR A 9 55.559 50.945 28.027 1.00 0.00 H new ATOM 0 HA THR A 9 57.588 52.556 29.146 1.00 0.00 H new ATOM 0 HB THR A 9 57.741 53.464 26.907 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.313 52.532 25.262 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.252 51.371 25.646 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.869 51.315 27.314 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.383 50.435 26.885 1.00 0.00 H new ATOM 161 N GLY A 10 54.832 53.898 29.480 1.00 0.00 N ATOM 162 CA GLY A 10 54.230 55.067 30.088 1.00 0.00 C ATOM 163 C GLY A 10 53.333 55.926 29.193 1.00 0.00 C ATOM 164 O GLY A 10 53.099 57.083 29.535 1.00 0.00 O ATOM 0 H GLY A 10 54.270 53.054 29.588 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.641 54.739 30.945 1.00 0.00 H new ATOM 0 HA3 GLY A 10 55.030 55.699 30.474 1.00 0.00 H new ATOM 168 N LYS A 11 52.836 55.391 28.081 1.00 0.00 N ATOM 169 CA LYS A 11 51.829 55.999 27.235 1.00 0.00 C ATOM 170 C LYS A 11 50.453 55.391 27.513 1.00 0.00 C ATOM 171 O LYS A 11 50.371 54.249 27.960 1.00 0.00 O ATOM 172 CB LYS A 11 52.251 55.874 25.774 1.00 0.00 C ATOM 173 CG LYS A 11 51.443 56.738 24.810 1.00 0.00 C ATOM 174 CD LYS A 11 51.841 56.599 23.344 1.00 0.00 C ATOM 175 CE LYS A 11 53.243 57.119 23.037 1.00 0.00 C ATOM 176 NZ LYS A 11 53.567 56.959 21.611 1.00 0.00 N ATOM 0 H LYS A 11 53.142 54.481 27.735 1.00 0.00 H new ATOM 0 HA LYS A 11 51.744 57.062 27.462 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.304 56.142 25.688 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.162 54.831 25.470 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.388 56.483 24.912 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.548 57.782 25.104 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.782 55.549 23.059 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.120 57.137 22.728 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.312 58.171 23.313 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.974 56.582 23.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.363 56.297 21.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.738 56.585 21.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.830 57.881 21.209 1.00 0.00 H new ATOM 190 N THR A 12 49.382 56.123 27.216 1.00 0.00 N ATOM 191 CA THR A 12 48.029 55.618 27.100 1.00 0.00 C ATOM 192 C THR A 12 47.455 55.970 25.726 1.00 0.00 C ATOM 193 O THR A 12 47.546 57.118 25.296 1.00 0.00 O ATOM 194 CB THR A 12 47.126 56.134 28.217 1.00 0.00 C ATOM 195 OG1 THR A 12 47.704 55.863 29.474 1.00 0.00 O ATOM 196 CG2 THR A 12 45.755 55.463 28.221 1.00 0.00 C ATOM 0 H THR A 12 49.443 57.126 27.043 1.00 0.00 H new ATOM 0 HA THR A 12 48.068 54.533 27.202 1.00 0.00 H new ATOM 0 HB THR A 12 47.012 57.203 28.038 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.117 56.200 30.183 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.154 55.868 29.036 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.254 55.653 27.272 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.876 54.389 28.359 1.00 0.00 H new ATOM 204 N ILE A 13 46.874 54.996 25.032 1.00 0.00 N ATOM 205 CA ILE A 13 46.331 55.121 23.694 1.00 0.00 C ATOM 206 C ILE A 13 44.822 54.869 23.729 1.00 0.00 C ATOM 207 O ILE A 13 44.383 53.831 24.218 1.00 0.00 O ATOM 208 CB ILE A 13 47.036 54.182 22.720 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.551 54.354 22.672 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.489 54.417 21.314 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.335 53.523 23.684 1.00 0.00 C ATOM 0 H ILE A 13 46.767 54.055 25.411 1.00 0.00 H new ATOM 0 HA ILE A 13 46.506 56.135 23.334 1.00 0.00 H new ATOM 0 HB ILE A 13 46.838 53.172 23.079 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.897 54.098 21.671 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.786 55.406 22.831 1.00 0.00 H new ATOM 0 HG21 ILE A 13 46.989 53.749 20.613 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.417 54.219 21.303 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.670 55.451 21.021 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.401 53.718 23.567 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.026 53.793 24.694 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.139 52.464 23.515 1.00 0.00 H new ATOM 223 N THR A 14 44.027 55.786 23.183 1.00 0.00 N ATOM 224 CA THR A 14 42.590 55.661 23.058 1.00 0.00 C ATOM 225 C THR A 14 42.206 55.099 21.687 1.00 0.00 C ATOM 226 O THR A 14 42.594 55.664 20.668 1.00 0.00 O ATOM 227 CB THR A 14 41.900 57.000 23.308 1.00 0.00 C ATOM 228 OG1 THR A 14 42.201 57.474 24.601 1.00 0.00 O ATOM 229 CG2 THR A 14 40.380 56.894 23.236 1.00 0.00 C ATOM 0 H THR A 14 44.384 56.663 22.805 1.00 0.00 H new ATOM 0 HA THR A 14 42.249 54.959 23.819 1.00 0.00 H new ATOM 0 HB THR A 14 42.264 57.672 22.531 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.753 58.334 24.747 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.938 57.873 23.421 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.086 56.544 22.246 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.028 56.189 23.989 1.00 0.00 H new ATOM 237 N LEU A 15 41.435 54.015 21.667 1.00 0.00 N ATOM 238 CA LEU A 15 41.015 53.293 20.483 1.00 0.00 C ATOM 239 C LEU A 15 39.492 53.238 20.348 1.00 0.00 C ATOM 240 O LEU A 15 38.778 53.286 21.347 1.00 0.00 O ATOM 241 CB LEU A 15 41.581 51.877 20.512 1.00 0.00 C ATOM 242 CG LEU A 15 43.099 51.740 20.589 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.469 50.259 20.598 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.825 52.382 19.411 1.00 0.00 C ATOM 0 H LEU A 15 41.071 53.600 22.524 1.00 0.00 H new ATOM 0 HA LEU A 15 41.402 53.832 19.618 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.150 51.357 21.368 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.239 51.357 19.617 1.00 0.00 H new ATOM 0 HG LEU A 15 43.407 52.253 21.500 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.553 50.155 20.653 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.014 49.775 21.462 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.105 49.788 19.685 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.900 52.248 19.529 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.500 51.911 18.483 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.594 53.447 19.378 1.00 0.00 H new ATOM 256 N GLU A 16 38.994 53.058 19.128 1.00 0.00 N ATOM 257 CA GLU A 16 37.586 52.957 18.796 1.00 0.00 C ATOM 258 C GLU A 16 37.324 51.725 17.929 1.00 0.00 C ATOM 259 O GLU A 16 37.942 51.546 16.881 1.00 0.00 O ATOM 260 CB GLU A 16 37.144 54.246 18.109 1.00 0.00 C ATOM 261 CG GLU A 16 35.682 54.281 17.673 1.00 0.00 C ATOM 262 CD GLU A 16 34.727 54.757 18.769 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.765 55.956 19.123 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.849 53.980 19.203 1.00 0.00 O ATOM 0 H GLU A 16 39.595 52.975 18.308 1.00 0.00 H new ATOM 0 HA GLU A 16 36.998 52.832 19.705 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.325 55.080 18.787 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.772 54.406 17.232 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.585 54.937 16.808 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.384 53.283 17.351 1.00 0.00 H new ATOM 271 N VAL A 17 36.409 50.869 18.378 1.00 0.00 N ATOM 272 CA VAL A 17 36.149 49.537 17.872 1.00 0.00 C ATOM 273 C VAL A 17 34.665 49.177 17.955 1.00 0.00 C ATOM 274 O VAL A 17 33.843 49.976 18.400 1.00 0.00 O ATOM 275 CB VAL A 17 36.982 48.511 18.635 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.485 48.688 18.439 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.670 48.521 20.128 1.00 0.00 C ATOM 0 H VAL A 17 35.794 51.110 19.155 1.00 0.00 H new ATOM 0 HA VAL A 17 36.434 49.523 16.820 1.00 0.00 H new ATOM 0 HB VAL A 17 36.698 47.548 18.211 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.018 47.927 19.008 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.728 48.587 17.381 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.783 49.677 18.787 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.285 47.776 20.633 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.885 49.508 20.538 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.617 48.286 20.281 1.00 0.00 H new ATOM 287 N GLU A 18 34.297 47.963 17.556 1.00 0.00 N ATOM 288 CA GLU A 18 33.049 47.291 17.854 1.00 0.00 C ATOM 289 C GLU A 18 33.305 46.056 18.721 1.00 0.00 C ATOM 290 O GLU A 18 34.357 45.438 18.577 1.00 0.00 O ATOM 291 CB GLU A 18 32.369 46.864 16.557 1.00 0.00 C ATOM 292 CG GLU A 18 31.478 47.924 15.914 1.00 0.00 C ATOM 293 CD GLU A 18 30.159 48.121 16.663 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.378 47.153 16.792 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.886 49.250 17.128 1.00 0.00 O ATOM 0 H GLU A 18 34.909 47.389 16.977 1.00 0.00 H new ATOM 0 HA GLU A 18 32.403 47.981 18.396 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.137 46.574 15.840 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.767 45.977 16.755 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.016 48.871 15.878 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.267 47.638 14.884 1.00 0.00 H new ATOM 302 N PRO A 19 32.373 45.602 19.554 1.00 0.00 N ATOM 303 CA PRO A 19 32.523 44.379 20.316 1.00 0.00 C ATOM 304 C PRO A 19 32.740 43.106 19.494 1.00 0.00 C ATOM 305 O PRO A 19 33.209 42.100 20.023 1.00 0.00 O ATOM 306 CB PRO A 19 31.254 44.255 21.155 1.00 0.00 C ATOM 307 CG PRO A 19 30.754 45.691 21.286 1.00 0.00 C ATOM 308 CD PRO A 19 31.175 46.310 19.955 1.00 0.00 C ATOM 0 HA PRO A 19 33.436 44.458 20.907 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.515 43.618 20.669 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.462 43.815 22.130 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.674 45.733 21.430 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.209 46.203 22.134 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.389 46.203 19.208 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.369 47.377 20.064 1.00 0.00 H new ATOM 316 N SER A 20 32.401 43.134 18.209 1.00 0.00 N ATOM 317 CA SER A 20 32.643 42.094 17.230 1.00 0.00 C ATOM 318 C SER A 20 34.010 42.145 16.543 1.00 0.00 C ATOM 319 O SER A 20 34.325 41.248 15.764 1.00 0.00 O ATOM 320 CB SER A 20 31.534 42.131 16.182 1.00 0.00 C ATOM 321 OG SER A 20 31.439 43.417 15.612 1.00 0.00 O ATOM 0 H SER A 20 31.920 43.937 17.804 1.00 0.00 H new ATOM 0 HA SER A 20 32.644 41.156 17.786 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.736 41.395 15.404 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.583 41.858 16.640 1.00 0.00 H new ATOM 0 HG SER A 20 30.725 43.425 14.941 1.00 0.00 H new ATOM 327 N ASP A 21 34.832 43.157 16.804 1.00 0.00 N ATOM 328 CA ASP A 21 36.188 43.241 16.300 1.00 0.00 C ATOM 329 C ASP A 21 37.126 42.285 17.039 1.00 0.00 C ATOM 330 O ASP A 21 36.912 41.928 18.195 1.00 0.00 O ATOM 331 CB ASP A 21 36.696 44.680 16.290 1.00 0.00 C ATOM 332 CG ASP A 21 35.992 45.594 15.285 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.554 45.123 14.215 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.915 46.820 15.516 1.00 0.00 O ATOM 0 H ASP A 21 34.564 43.953 17.383 1.00 0.00 H new ATOM 0 HA ASP A 21 36.175 42.913 15.261 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.578 45.100 17.289 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.764 44.674 16.070 1.00 0.00 H new ATOM 339 N THR A 22 38.164 41.824 16.346 1.00 0.00 N ATOM 340 CA THR A 22 39.097 40.813 16.795 1.00 0.00 C ATOM 341 C THR A 22 40.288 41.380 17.573 1.00 0.00 C ATOM 342 O THR A 22 40.702 42.517 17.355 1.00 0.00 O ATOM 343 CB THR A 22 39.600 39.942 15.647 1.00 0.00 C ATOM 344 OG1 THR A 22 40.148 40.714 14.602 1.00 0.00 O ATOM 345 CG2 THR A 22 38.500 39.065 15.057 1.00 0.00 C ATOM 0 H THR A 22 38.382 42.167 15.410 1.00 0.00 H new ATOM 0 HA THR A 22 38.522 40.194 17.484 1.00 0.00 H new ATOM 0 HB THR A 22 40.372 39.309 16.085 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.460 40.121 13.887 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.910 38.465 14.244 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.105 38.406 15.831 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.698 39.696 14.674 1.00 0.00 H new ATOM 353 N ILE A 23 40.910 40.564 18.417 1.00 0.00 N ATOM 354 CA ILE A 23 42.160 40.911 19.064 1.00 0.00 C ATOM 355 C ILE A 23 43.275 41.112 18.036 1.00 0.00 C ATOM 356 O ILE A 23 44.107 42.002 18.191 1.00 0.00 O ATOM 357 CB ILE A 23 42.494 39.880 20.138 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.429 39.746 21.222 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.861 40.123 20.773 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.040 41.027 21.953 1.00 0.00 C ATOM 0 H ILE A 23 40.556 39.641 18.669 1.00 0.00 H new ATOM 0 HA ILE A 23 42.055 41.870 19.571 1.00 0.00 H new ATOM 0 HB ILE A 23 42.521 38.932 19.601 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.531 39.325 20.769 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.781 39.025 21.960 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.051 39.362 21.530 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.633 40.071 20.005 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.876 41.109 21.237 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.276 40.803 22.698 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.917 41.445 22.447 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.648 41.750 21.237 1.00 0.00 H new ATOM 372 N GLU A 24 43.248 40.382 16.924 1.00 0.00 N ATOM 373 CA GLU A 24 44.073 40.631 15.759 1.00 0.00 C ATOM 374 C GLU A 24 43.910 42.046 15.200 1.00 0.00 C ATOM 375 O GLU A 24 44.906 42.703 14.904 1.00 0.00 O ATOM 376 CB GLU A 24 43.730 39.570 14.718 1.00 0.00 C ATOM 377 CG GLU A 24 44.441 39.722 13.377 1.00 0.00 C ATOM 378 CD GLU A 24 44.088 38.555 12.453 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.201 38.720 11.588 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.679 37.464 12.605 1.00 0.00 O ATOM 0 H GLU A 24 42.631 39.578 16.812 1.00 0.00 H new ATOM 0 HA GLU A 24 45.123 40.564 16.043 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.970 38.589 15.129 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.654 39.588 14.545 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.154 40.664 12.910 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.519 39.759 13.532 1.00 0.00 H new ATOM 387 N ASN A 25 42.684 42.550 15.096 1.00 0.00 N ATOM 388 CA ASN A 25 42.400 43.900 14.653 1.00 0.00 C ATOM 389 C ASN A 25 42.872 44.960 15.650 1.00 0.00 C ATOM 390 O ASN A 25 43.404 45.987 15.234 1.00 0.00 O ATOM 391 CB ASN A 25 40.909 44.006 14.342 1.00 0.00 C ATOM 392 CG ASN A 25 40.494 45.405 13.884 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.104 46.254 14.683 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.566 45.689 12.587 1.00 0.00 N ATOM 0 H ASN A 25 41.846 42.015 15.324 1.00 0.00 H new ATOM 0 HA ASN A 25 42.968 44.104 13.746 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.653 43.284 13.566 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.338 43.736 15.230 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.297 46.614 12.252 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.890 44.982 11.927 1.00 0.00 H new ATOM 401 N VAL A 26 42.777 44.708 16.952 1.00 0.00 N ATOM 402 CA VAL A 26 43.330 45.589 17.961 1.00 0.00 C ATOM 403 C VAL A 26 44.853 45.673 17.847 1.00 0.00 C ATOM 404 O VAL A 26 45.396 46.775 17.824 1.00 0.00 O ATOM 405 CB VAL A 26 42.895 45.185 19.366 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.538 46.051 20.445 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.382 45.318 19.518 1.00 0.00 C ATOM 0 H VAL A 26 42.312 43.884 17.332 1.00 0.00 H new ATOM 0 HA VAL A 26 42.929 46.586 17.778 1.00 0.00 H new ATOM 0 HB VAL A 26 43.215 44.151 19.495 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.196 45.723 21.427 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.622 45.957 20.389 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.256 47.093 20.292 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.091 45.025 20.527 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.088 46.353 19.341 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.885 44.671 18.795 1.00 0.00 H new ATOM 417 N LYS A 27 45.547 44.550 17.683 1.00 0.00 N ATOM 418 CA LYS A 27 46.973 44.547 17.423 1.00 0.00 C ATOM 419 C LYS A 27 47.332 45.261 16.119 1.00 0.00 C ATOM 420 O LYS A 27 48.354 45.943 16.083 1.00 0.00 O ATOM 421 CB LYS A 27 47.539 43.129 17.433 1.00 0.00 C ATOM 422 CG LYS A 27 47.590 42.514 18.828 1.00 0.00 C ATOM 423 CD LYS A 27 48.241 41.135 18.751 1.00 0.00 C ATOM 424 CE LYS A 27 48.340 40.485 20.128 1.00 0.00 C ATOM 425 NZ LYS A 27 48.854 39.108 20.038 1.00 0.00 N ATOM 0 H LYS A 27 45.131 43.620 17.728 1.00 0.00 H new ATOM 0 HA LYS A 27 47.434 45.108 18.236 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.931 42.497 16.786 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.544 43.143 17.012 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.156 43.158 19.501 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.583 42.431 19.238 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.661 40.495 18.086 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.237 41.226 18.318 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.995 41.078 20.766 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.357 40.478 20.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.447 38.904 20.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.057 38.441 20.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.422 39.005 19.173 1.00 0.00 H new ATOM 439 N ALA A 28 46.495 45.179 15.089 1.00 0.00 N ATOM 440 CA ALA A 28 46.679 45.896 13.844 1.00 0.00 C ATOM 441 C ALA A 28 46.515 47.410 13.987 1.00 0.00 C ATOM 442 O ALA A 28 47.275 48.153 13.370 1.00 0.00 O ATOM 443 CB ALA A 28 45.742 45.325 12.784 1.00 0.00 C ATOM 0 H ALA A 28 45.656 44.600 15.103 1.00 0.00 H new ATOM 0 HA ALA A 28 47.712 45.749 13.529 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.881 45.865 11.847 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.966 44.269 12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.709 45.433 13.115 1.00 0.00 H new ATOM 449 N LYS A 29 45.610 47.888 14.838 1.00 0.00 N ATOM 450 CA LYS A 29 45.488 49.290 15.180 1.00 0.00 C ATOM 451 C LYS A 29 46.719 49.791 15.940 1.00 0.00 C ATOM 452 O LYS A 29 47.252 50.847 15.608 1.00 0.00 O ATOM 453 CB LYS A 29 44.218 49.546 15.987 1.00 0.00 C ATOM 454 CG LYS A 29 42.937 49.543 15.159 1.00 0.00 C ATOM 455 CD LYS A 29 41.725 49.693 16.075 1.00 0.00 C ATOM 456 CE LYS A 29 40.430 50.034 15.345 1.00 0.00 C ATOM 457 NZ LYS A 29 40.033 48.998 14.379 1.00 0.00 N ATOM 0 H LYS A 29 44.931 47.294 15.315 1.00 0.00 H new ATOM 0 HA LYS A 29 45.422 49.850 14.247 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.136 48.786 16.764 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.309 50.509 16.490 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.960 50.358 14.435 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.862 48.615 14.592 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.584 48.764 16.628 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.932 50.472 16.809 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.632 50.170 16.074 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.551 50.984 14.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.032 49.124 14.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.618 49.079 13.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.168 48.058 14.803 1.00 0.00 H new ATOM 471 N ILE A 30 47.217 49.032 16.912 1.00 0.00 N ATOM 472 CA ILE A 30 48.414 49.363 17.659 1.00 0.00 C ATOM 473 C ILE A 30 49.653 49.354 16.760 1.00 0.00 C ATOM 474 O ILE A 30 50.487 50.252 16.853 1.00 0.00 O ATOM 475 CB ILE A 30 48.547 48.430 18.859 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.424 48.695 19.859 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.905 48.556 19.544 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.293 47.638 20.951 1.00 0.00 C ATOM 0 H ILE A 30 46.787 48.154 17.204 1.00 0.00 H new ATOM 0 HA ILE A 30 48.329 50.381 18.040 1.00 0.00 H new ATOM 0 HB ILE A 30 48.468 47.409 18.486 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.592 49.665 20.327 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.480 48.761 19.318 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.950 47.872 20.391 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.695 48.308 18.835 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.042 49.579 19.896 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.472 47.903 21.618 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.092 46.668 20.496 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.221 47.586 21.521 1.00 0.00 H new ATOM 490 N GLN A 31 49.747 48.400 15.837 1.00 0.00 N ATOM 491 CA GLN A 31 50.772 48.337 14.815 1.00 0.00 C ATOM 492 C GLN A 31 50.783 49.596 13.945 1.00 0.00 C ATOM 493 O GLN A 31 51.860 50.111 13.653 1.00 0.00 O ATOM 494 CB GLN A 31 50.523 47.079 13.987 1.00 0.00 C ATOM 495 CG GLN A 31 51.500 46.811 12.846 1.00 0.00 C ATOM 496 CD GLN A 31 51.005 45.703 11.916 1.00 0.00 C ATOM 497 OE1 GLN A 31 49.828 45.348 11.876 1.00 0.00 O ATOM 498 NE2 GLN A 31 51.877 45.106 11.109 1.00 0.00 N ATOM 0 H GLN A 31 49.085 47.626 15.784 1.00 0.00 H new ATOM 0 HA GLN A 31 51.758 48.289 15.278 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.538 46.220 14.658 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.518 47.139 13.569 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.648 47.726 12.273 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.470 46.532 13.257 1.00 0.00 H new ATOM 0 HE21 GLN A 31 52.858 45.383 11.124 1.00 0.00 H new ATOM 0 HE22 GLN A 31 51.564 44.371 10.475 1.00 0.00 H new ATOM 507 N ASP A 32 49.623 50.129 13.572 1.00 0.00 N ATOM 508 CA ASP A 32 49.514 51.376 12.842 1.00 0.00 C ATOM 509 C ASP A 32 49.931 52.590 13.673 1.00 0.00 C ATOM 510 O ASP A 32 50.773 53.368 13.230 1.00 0.00 O ATOM 511 CB ASP A 32 48.093 51.523 12.305 1.00 0.00 C ATOM 512 CG ASP A 32 47.936 52.766 11.427 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.329 52.710 10.242 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.394 53.786 11.904 1.00 0.00 O ATOM 0 H ASP A 32 48.722 49.696 13.774 1.00 0.00 H new ATOM 0 HA ASP A 32 50.214 51.340 12.007 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.830 50.636 11.728 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.394 51.579 13.140 1.00 0.00 H new ATOM 519 N LYS A 33 49.387 52.753 14.876 1.00 0.00 N ATOM 520 CA LYS A 33 49.587 53.930 15.697 1.00 0.00 C ATOM 521 C LYS A 33 50.978 54.043 16.323 1.00 0.00 C ATOM 522 O LYS A 33 51.477 55.158 16.461 1.00 0.00 O ATOM 523 CB LYS A 33 48.514 54.022 16.777 1.00 0.00 C ATOM 524 CG LYS A 33 47.121 54.243 16.194 1.00 0.00 C ATOM 525 CD LYS A 33 46.057 54.497 17.259 1.00 0.00 C ATOM 526 CE LYS A 33 46.181 55.825 17.999 1.00 0.00 C ATOM 527 NZ LYS A 33 46.048 56.987 17.106 1.00 0.00 N ATOM 0 H LYS A 33 48.784 52.054 15.310 1.00 0.00 H new ATOM 0 HA LYS A 33 49.503 54.774 15.012 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.517 53.106 17.367 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.755 54.840 17.456 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.151 55.091 15.510 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.837 53.370 15.607 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.076 54.453 16.787 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.096 53.688 17.989 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.416 55.878 18.773 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.147 55.867 18.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 46.038 57.860 17.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.851 57.011 16.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.161 56.912 16.569 1.00 0.00 H new ATOM 541 N GLU A 34 51.608 52.937 16.710 1.00 0.00 N ATOM 542 CA GLU A 34 52.870 52.921 17.420 1.00 0.00 C ATOM 543 C GLU A 34 54.022 52.293 16.633 1.00 0.00 C ATOM 544 O GLU A 34 55.180 52.486 16.998 1.00 0.00 O ATOM 545 CB GLU A 34 52.695 52.221 18.764 1.00 0.00 C ATOM 546 CG GLU A 34 51.756 52.905 19.752 1.00 0.00 C ATOM 547 CD GLU A 34 52.326 54.200 20.336 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.385 54.165 21.000 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.722 55.279 20.157 1.00 0.00 O ATOM 0 H GLU A 34 51.238 52.004 16.530 1.00 0.00 H new ATOM 0 HA GLU A 34 53.153 53.963 17.570 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.327 51.212 18.581 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.675 52.123 19.231 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.813 53.125 19.252 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.532 52.216 20.566 1.00 0.00 H new ATOM 556 N GLY A 35 53.766 51.538 15.568 1.00 0.00 N ATOM 557 CA GLY A 35 54.803 50.894 14.788 1.00 0.00 C ATOM 558 C GLY A 35 55.456 49.702 15.489 1.00 0.00 C ATOM 559 O GLY A 35 56.680 49.640 15.591 1.00 0.00 O ATOM 0 H GLY A 35 52.823 51.358 15.224 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.377 50.558 13.843 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.572 51.628 14.548 1.00 0.00 H new ATOM 563 N ILE A 36 54.646 48.790 16.018 1.00 0.00 N ATOM 564 CA ILE A 36 55.060 47.598 16.731 1.00 0.00 C ATOM 565 C ILE A 36 54.495 46.374 16.009 1.00 0.00 C ATOM 566 O ILE A 36 53.274 46.279 15.913 1.00 0.00 O ATOM 567 CB ILE A 36 54.591 47.630 18.183 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.978 48.903 18.930 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.152 46.418 18.920 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.143 49.142 20.184 1.00 0.00 C ATOM 0 H ILE A 36 53.631 48.872 15.955 1.00 0.00 H new ATOM 0 HA ILE A 36 56.149 47.549 16.745 1.00 0.00 H new ATOM 0 HB ILE A 36 53.502 47.608 18.158 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.031 48.848 19.207 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.869 49.756 18.261 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.819 46.437 19.958 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.797 45.505 18.442 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.241 46.445 18.888 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.469 50.063 20.668 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.092 49.228 19.910 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.271 48.306 20.871 1.00 0.00 H new ATOM 582 N PRO A 37 55.290 45.411 15.550 1.00 0.00 N ATOM 583 CA PRO A 37 54.779 44.235 14.875 1.00 0.00 C ATOM 584 C PRO A 37 53.877 43.392 15.779 1.00 0.00 C ATOM 585 O PRO A 37 54.227 43.208 16.942 1.00 0.00 O ATOM 586 CB PRO A 37 55.996 43.440 14.410 1.00 0.00 C ATOM 587 CG PRO A 37 57.112 44.480 14.355 1.00 0.00 C ATOM 588 CD PRO A 37 56.738 45.418 15.498 1.00 0.00 C ATOM 0 HA PRO A 37 54.151 44.526 14.033 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.235 42.633 15.103 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.827 42.983 13.435 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.094 44.031 14.502 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.139 44.998 13.396 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.166 45.077 16.441 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.119 46.424 15.320 1.00 0.00 H new ATOM 596 N PRO A 38 52.761 42.845 15.305 1.00 0.00 N ATOM 597 CA PRO A 38 51.833 42.099 16.130 1.00 0.00 C ATOM 598 C PRO A 38 52.445 40.918 16.887 1.00 0.00 C ATOM 599 O PRO A 38 52.074 40.681 18.034 1.00 0.00 O ATOM 600 CB PRO A 38 50.726 41.619 15.194 1.00 0.00 C ATOM 601 CG PRO A 38 50.711 42.682 14.100 1.00 0.00 C ATOM 602 CD PRO A 38 52.180 43.081 13.999 1.00 0.00 C ATOM 0 HA PRO A 38 51.470 42.755 16.921 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.940 40.629 14.791 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.766 41.554 15.706 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.333 42.287 13.157 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.079 43.529 14.367 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.690 42.493 13.236 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.279 44.128 13.714 1.00 0.00 H new ATOM 610 N ASP A 39 53.420 40.214 16.320 1.00 0.00 N ATOM 611 CA ASP A 39 54.107 39.138 17.007 1.00 0.00 C ATOM 612 C ASP A 39 54.964 39.611 18.184 1.00 0.00 C ATOM 613 O ASP A 39 55.202 38.844 19.114 1.00 0.00 O ATOM 614 CB ASP A 39 54.917 38.297 16.026 1.00 0.00 C ATOM 615 CG ASP A 39 56.177 39.013 15.534 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.029 39.969 14.743 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.289 38.623 15.953 1.00 0.00 O ATOM 0 H ASP A 39 53.753 40.378 15.370 1.00 0.00 H new ATOM 0 HA ASP A 39 53.331 38.510 17.445 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.200 37.360 16.505 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.292 38.041 15.170 1.00 0.00 H new ATOM 622 N GLN A 40 55.366 40.879 18.202 1.00 0.00 N ATOM 623 CA GLN A 40 56.061 41.499 19.311 1.00 0.00 C ATOM 624 C GLN A 40 55.120 42.091 20.363 1.00 0.00 C ATOM 625 O GLN A 40 55.595 42.478 21.428 1.00 0.00 O ATOM 626 CB GLN A 40 57.043 42.558 18.816 1.00 0.00 C ATOM 627 CG GLN A 40 58.102 42.011 17.863 1.00 0.00 C ATOM 628 CD GLN A 40 59.212 43.017 17.550 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.441 43.997 18.256 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.971 42.812 16.478 1.00 0.00 N ATOM 0 H GLN A 40 55.210 41.516 17.421 1.00 0.00 H new ATOM 0 HA GLN A 40 56.614 40.700 19.804 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.488 43.350 18.313 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.538 43.012 19.674 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.545 41.115 18.299 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.622 41.709 16.932 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.799 42.005 15.878 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.725 43.461 16.256 1.00 0.00 H new ATOM 639 N GLN A 41 53.815 42.150 20.113 1.00 0.00 N ATOM 640 CA GLN A 41 52.810 42.632 21.037 1.00 0.00 C ATOM 641 C GLN A 41 52.201 41.474 21.832 1.00 0.00 C ATOM 642 O GLN A 41 51.837 40.457 21.247 1.00 0.00 O ATOM 643 CB GLN A 41 51.680 43.334 20.291 1.00 0.00 C ATOM 644 CG GLN A 41 52.061 44.565 19.473 1.00 0.00 C ATOM 645 CD GLN A 41 50.846 45.143 18.744 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.740 45.188 19.279 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.965 45.595 17.499 1.00 0.00 N ATOM 0 H GLN A 41 53.419 41.849 19.222 1.00 0.00 H new ATOM 0 HA GLN A 41 53.304 43.331 21.712 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.214 42.611 19.621 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.924 43.629 21.018 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.489 45.323 20.129 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.831 44.299 18.748 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.871 45.569 17.032 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.150 45.967 17.012 1.00 0.00 H new ATOM 656 N ARG A 42 51.965 41.653 23.129 1.00 0.00 N ATOM 657 CA ARG A 42 51.009 40.876 23.892 1.00 0.00 C ATOM 658 C ARG A 42 50.105 41.778 24.734 1.00 0.00 C ATOM 659 O ARG A 42 50.576 42.744 25.332 1.00 0.00 O ATOM 660 CB ARG A 42 51.695 39.753 24.665 1.00 0.00 C ATOM 661 CG ARG A 42 52.711 40.189 25.717 1.00 0.00 C ATOM 662 CD ARG A 42 53.472 38.979 26.252 1.00 0.00 C ATOM 663 NE ARG A 42 54.569 39.344 27.150 1.00 0.00 N ATOM 664 CZ ARG A 42 54.551 39.344 28.489 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.449 39.132 29.223 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.683 39.569 29.170 1.00 0.00 N ATOM 0 H ARG A 42 52.447 42.359 23.685 1.00 0.00 H new ATOM 0 HA ARG A 42 50.335 40.369 23.202 1.00 0.00 H new ATOM 0 HB2 ARG A 42 50.927 39.155 25.156 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.198 39.102 23.950 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.410 40.904 25.283 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.202 40.698 26.535 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.779 38.326 26.782 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.871 38.408 25.414 1.00 0.00 H new ATOM 0 HE ARG A 42 55.443 39.630 26.707 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.556 38.957 28.763 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.504 39.145 30.241 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.555 39.740 28.668 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.673 39.570 30.190 1.00 0.00 H new ATOM 680 N LEU A 43 48.805 41.500 24.731 1.00 0.00 N ATOM 681 CA LEU A 43 47.760 42.315 25.316 1.00 0.00 C ATOM 682 C LEU A 43 47.115 41.636 26.526 1.00 0.00 C ATOM 683 O LEU A 43 46.941 40.419 26.526 1.00 0.00 O ATOM 684 CB LEU A 43 46.703 42.633 24.263 1.00 0.00 C ATOM 685 CG LEU A 43 47.134 43.645 23.204 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.134 43.656 22.051 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.202 45.059 23.776 1.00 0.00 C ATOM 0 H LEU A 43 48.439 40.653 24.296 1.00 0.00 H new ATOM 0 HA LEU A 43 48.216 43.240 25.668 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.418 41.707 23.764 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.813 43.012 24.766 1.00 0.00 H new ATOM 0 HG LEU A 43 48.123 43.345 22.858 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.451 44.381 21.301 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.088 42.665 21.600 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.148 43.930 22.427 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.512 45.753 22.995 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.220 45.348 24.149 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.923 45.087 24.593 1.00 0.00 H new ATOM 699 N ILE A 44 46.728 42.428 27.522 1.00 0.00 N ATOM 700 CA ILE A 44 46.169 41.986 28.783 1.00 0.00 C ATOM 701 C ILE A 44 44.907 42.784 29.119 1.00 0.00 C ATOM 702 O ILE A 44 44.897 44.008 29.004 1.00 0.00 O ATOM 703 CB ILE A 44 47.175 42.083 29.926 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.622 41.814 29.521 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.741 41.158 31.060 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.651 41.920 30.642 1.00 0.00 C ATOM 0 H ILE A 44 46.802 43.444 27.462 1.00 0.00 H new ATOM 0 HA ILE A 44 45.908 40.934 28.667 1.00 0.00 H new ATOM 0 HB ILE A 44 47.170 43.121 30.259 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.680 40.814 29.092 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.896 42.515 28.733 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.458 41.225 31.879 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.755 41.456 31.416 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.700 40.131 30.697 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.644 41.710 30.245 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.632 42.927 31.059 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.413 41.199 31.424 1.00 0.00 H new ATOM 718 N PHE A 45 43.861 42.105 29.580 1.00 0.00 N ATOM 719 CA PHE A 45 42.701 42.695 30.217 1.00 0.00 C ATOM 720 C PHE A 45 42.266 41.843 31.411 1.00 0.00 C ATOM 721 O PHE A 45 42.103 40.633 31.269 1.00 0.00 O ATOM 722 CB PHE A 45 41.564 42.846 29.209 1.00 0.00 C ATOM 723 CG PHE A 45 40.247 43.271 29.814 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.098 44.560 30.341 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.179 42.370 29.877 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.893 44.942 30.942 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.963 42.755 30.455 1.00 0.00 C ATOM 728 CZ PHE A 45 37.823 44.040 30.993 1.00 0.00 C ATOM 0 H PHE A 45 43.801 41.089 29.515 1.00 0.00 H new ATOM 0 HA PHE A 45 42.963 43.688 30.583 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.857 43.578 28.456 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.423 41.896 28.693 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.916 45.262 30.283 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.293 41.373 29.478 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.789 45.930 31.365 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.135 42.062 30.486 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.889 44.336 31.448 1.00 0.00 H new ATOM 738 N ALA A 46 42.055 42.467 32.566 1.00 0.00 N ATOM 739 CA ALA A 46 41.558 41.871 33.790 1.00 0.00 C ATOM 740 C ALA A 46 42.106 40.471 34.076 1.00 0.00 C ATOM 741 O ALA A 46 41.387 39.475 34.026 1.00 0.00 O ATOM 742 CB ALA A 46 40.036 41.981 33.804 1.00 0.00 C ATOM 0 H ALA A 46 42.240 43.464 32.673 1.00 0.00 H new ATOM 0 HA ALA A 46 41.946 42.435 34.638 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.647 41.536 34.720 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.747 43.031 33.759 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.625 41.455 32.942 1.00 0.00 H new ATOM 748 N GLY A 47 43.414 40.378 34.293 1.00 0.00 N ATOM 749 CA GLY A 47 44.145 39.169 34.617 1.00 0.00 C ATOM 750 C GLY A 47 44.453 38.222 33.455 1.00 0.00 C ATOM 751 O GLY A 47 45.329 37.372 33.594 1.00 0.00 O ATOM 0 H GLY A 47 44.023 41.195 34.243 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.088 39.456 35.082 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.576 38.617 35.365 1.00 0.00 H new ATOM 755 N LYS A 48 43.790 38.354 32.310 1.00 0.00 N ATOM 756 CA LYS A 48 43.905 37.448 31.185 1.00 0.00 C ATOM 757 C LYS A 48 44.675 38.074 30.021 1.00 0.00 C ATOM 758 O LYS A 48 44.396 39.203 29.624 1.00 0.00 O ATOM 759 CB LYS A 48 42.532 36.963 30.731 1.00 0.00 C ATOM 760 CG LYS A 48 41.670 36.334 31.822 1.00 0.00 C ATOM 761 CD LYS A 48 42.309 35.189 32.604 1.00 0.00 C ATOM 762 CE LYS A 48 42.627 33.995 31.707 1.00 0.00 C ATOM 763 NZ LYS A 48 43.269 32.909 32.464 1.00 0.00 N ATOM 0 H LYS A 48 43.139 39.120 32.140 1.00 0.00 H new ATOM 0 HA LYS A 48 44.478 36.585 31.525 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.990 37.806 30.303 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.668 36.234 29.932 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.385 37.115 32.527 1.00 0.00 H new ATOM 0 HG3 LYS A 48 40.751 35.967 31.365 1.00 0.00 H new ATOM 0 HD2 LYS A 48 43.225 35.540 33.079 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.636 34.875 33.402 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.709 33.628 31.249 1.00 0.00 H new ATOM 0 HE3 LYS A 48 43.283 34.312 30.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 43.472 32.113 31.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 44.157 33.254 32.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 42.632 32.591 33.222 1.00 0.00 H new ATOM 777 N GLN A 49 45.605 37.315 29.447 1.00 0.00 N ATOM 778 CA GLN A 49 46.266 37.654 28.203 1.00 0.00 C ATOM 779 C GLN A 49 45.396 37.245 27.013 1.00 0.00 C ATOM 780 O GLN A 49 44.709 36.227 27.068 1.00 0.00 O ATOM 781 CB GLN A 49 47.674 37.070 28.147 1.00 0.00 C ATOM 782 CG GLN A 49 48.520 37.552 29.321 1.00 0.00 C ATOM 783 CD GLN A 49 50.018 37.308 29.124 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.813 38.235 28.984 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.459 36.054 29.159 1.00 0.00 N ATOM 0 H GLN A 49 45.922 36.431 29.846 1.00 0.00 H new ATOM 0 HA GLN A 49 46.391 38.736 28.149 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.619 35.981 28.158 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.152 37.356 27.210 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.349 38.618 29.471 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.192 37.046 30.229 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.800 35.285 29.275 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.457 35.862 29.070 1.00 0.00 H new ATOM 794 N LEU A 50 45.373 38.062 25.964 1.00 0.00 N ATOM 795 CA LEU A 50 44.349 38.024 24.938 1.00 0.00 C ATOM 796 C LEU A 50 44.836 37.346 23.657 1.00 0.00 C ATOM 797 O LEU A 50 45.878 37.707 23.114 1.00 0.00 O ATOM 798 CB LEU A 50 43.831 39.438 24.693 1.00 0.00 C ATOM 799 CG LEU A 50 43.366 40.185 25.939 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.842 41.565 25.549 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.262 39.457 26.700 1.00 0.00 C ATOM 0 H LEU A 50 46.080 38.780 25.805 1.00 0.00 H new ATOM 0 HA LEU A 50 43.521 37.408 25.289 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.619 40.019 24.214 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.001 39.386 23.989 1.00 0.00 H new ATOM 0 HG LEU A 50 44.235 40.257 26.593 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.511 42.094 26.442 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.637 42.132 25.064 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.004 41.455 24.861 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.977 40.041 27.575 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.396 39.329 26.051 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.624 38.479 27.019 1.00 0.00 H new ATOM 813 N GLU A 51 44.089 36.366 23.156 1.00 0.00 N ATOM 814 CA GLU A 51 44.374 35.616 21.950 1.00 0.00 C ATOM 815 C GLU A 51 43.770 36.264 20.702 1.00 0.00 C ATOM 816 O GLU A 51 42.564 36.479 20.618 1.00 0.00 O ATOM 817 CB GLU A 51 43.902 34.180 22.155 1.00 0.00 C ATOM 818 CG GLU A 51 43.905 33.274 20.927 1.00 0.00 C ATOM 819 CD GLU A 51 45.203 33.299 20.118 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.099 33.347 18.873 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.304 33.277 20.711 1.00 0.00 O ATOM 0 H GLU A 51 43.226 36.063 23.608 1.00 0.00 H new ATOM 0 HA GLU A 51 45.449 35.616 21.769 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.531 33.721 22.918 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.888 34.209 22.554 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.712 32.250 21.247 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.081 33.565 20.275 1.00 0.00 H new ATOM 828 N ASP A 52 44.620 36.522 19.713 1.00 0.00 N ATOM 829 CA ASP A 52 44.349 37.094 18.408 1.00 0.00 C ATOM 830 C ASP A 52 43.114 36.528 17.704 1.00 0.00 C ATOM 831 O ASP A 52 42.381 37.276 17.061 1.00 0.00 O ATOM 832 CB ASP A 52 45.557 36.860 17.506 1.00 0.00 C ATOM 833 CG ASP A 52 46.880 37.398 18.054 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.547 38.194 17.358 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.281 37.034 19.181 1.00 0.00 O ATOM 0 H ASP A 52 45.613 36.313 19.821 1.00 0.00 H new ATOM 0 HA ASP A 52 44.151 38.152 18.583 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.661 35.789 17.332 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.365 37.323 16.538 1.00 0.00 H new ATOM 840 N GLY A 53 42.874 35.227 17.838 1.00 0.00 N ATOM 841 CA GLY A 53 41.747 34.540 17.242 1.00 0.00 C ATOM 842 C GLY A 53 40.366 34.885 17.804 1.00 0.00 C ATOM 843 O GLY A 53 39.381 34.493 17.183 1.00 0.00 O ATOM 0 H GLY A 53 43.479 34.610 18.380 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.744 34.752 16.173 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.903 33.467 17.353 1.00 0.00 H new ATOM 847 N ARG A 54 40.255 35.575 18.936 1.00 0.00 N ATOM 848 CA ARG A 54 39.003 35.876 19.600 1.00 0.00 C ATOM 849 C ARG A 54 38.492 37.286 19.297 1.00 0.00 C ATOM 850 O ARG A 54 39.239 38.128 18.803 1.00 0.00 O ATOM 851 CB ARG A 54 39.130 35.667 21.106 1.00 0.00 C ATOM 852 CG ARG A 54 39.810 34.387 21.581 1.00 0.00 C ATOM 853 CD ARG A 54 39.166 33.077 21.139 1.00 0.00 C ATOM 854 NE ARG A 54 37.869 32.833 21.770 1.00 0.00 N ATOM 855 CZ ARG A 54 37.653 32.290 22.976 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.635 31.980 23.834 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.408 32.007 23.382 1.00 0.00 N ATOM 0 H ARG A 54 41.066 35.950 19.428 1.00 0.00 H new ATOM 0 HA ARG A 54 38.264 35.181 19.202 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.679 36.513 21.519 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.129 35.696 21.536 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.842 34.397 21.230 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.844 34.401 22.670 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.040 33.088 20.056 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.838 32.252 21.373 1.00 0.00 H new ATOM 0 HE ARG A 54 37.043 33.104 21.237 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.607 32.156 23.581 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.410 31.568 24.740 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.615 32.205 22.772 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.253 31.594 24.302 1.00 0.00 H new ATOM 871 N THR A 55 37.236 37.568 19.632 1.00 0.00 N ATOM 872 CA THR A 55 36.664 38.899 19.596 1.00 0.00 C ATOM 873 C THR A 55 36.644 39.571 20.969 1.00 0.00 C ATOM 874 O THR A 55 36.727 38.904 21.998 1.00 0.00 O ATOM 875 CB THR A 55 35.282 38.967 18.951 1.00 0.00 C ATOM 876 OG1 THR A 55 34.275 38.488 19.814 1.00 0.00 O ATOM 877 CG2 THR A 55 35.182 38.227 17.620 1.00 0.00 C ATOM 0 H THR A 55 36.576 36.855 19.943 1.00 0.00 H new ATOM 0 HA THR A 55 37.340 39.460 18.950 1.00 0.00 H new ATOM 0 HB THR A 55 35.129 40.028 18.753 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.267 37.508 19.796 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.170 38.322 17.226 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.889 38.657 16.911 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.415 37.173 17.771 1.00 0.00 H new ATOM 885 N LEU A 56 36.507 40.895 20.987 1.00 0.00 N ATOM 886 CA LEU A 56 36.447 41.684 22.200 1.00 0.00 C ATOM 887 C LEU A 56 35.310 41.276 23.140 1.00 0.00 C ATOM 888 O LEU A 56 35.525 41.135 24.342 1.00 0.00 O ATOM 889 CB LEU A 56 36.316 43.153 21.807 1.00 0.00 C ATOM 890 CG LEU A 56 37.599 43.759 21.246 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.284 45.115 20.619 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.627 43.987 22.351 1.00 0.00 C ATOM 0 H LEU A 56 36.434 41.454 20.137 1.00 0.00 H new ATOM 0 HA LEU A 56 37.365 41.508 22.761 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.524 43.251 21.064 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.006 43.727 22.681 1.00 0.00 H new ATOM 0 HG LEU A 56 38.004 43.066 20.509 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.198 45.551 20.217 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.560 44.985 19.815 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.868 45.779 21.377 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.531 44.420 21.923 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.216 44.669 23.095 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.869 43.036 22.825 1.00 0.00 H new ATOM 904 N SER A 57 34.120 41.024 22.603 1.00 0.00 N ATOM 905 CA SER A 57 32.982 40.519 23.345 1.00 0.00 C ATOM 906 C SER A 57 33.187 39.106 23.893 1.00 0.00 C ATOM 907 O SER A 57 32.752 38.822 25.007 1.00 0.00 O ATOM 908 CB SER A 57 31.728 40.552 22.475 1.00 0.00 C ATOM 909 OG SER A 57 31.958 39.908 21.243 1.00 0.00 O ATOM 0 H SER A 57 33.921 41.171 21.613 1.00 0.00 H new ATOM 0 HA SER A 57 32.866 41.178 24.206 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.904 40.065 22.997 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.428 41.585 22.300 1.00 0.00 H new ATOM 0 HG SER A 57 32.352 40.544 20.610 1.00 0.00 H new ATOM 915 N ASP A 58 33.898 38.235 23.183 1.00 0.00 N ATOM 916 CA ASP A 58 34.267 36.925 23.681 1.00 0.00 C ATOM 917 C ASP A 58 35.263 36.980 24.840 1.00 0.00 C ATOM 918 O ASP A 58 35.375 36.014 25.593 1.00 0.00 O ATOM 919 CB ASP A 58 34.775 36.038 22.548 1.00 0.00 C ATOM 920 CG ASP A 58 33.735 35.802 21.451 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.112 35.909 20.265 1.00 0.00 O ATOM 922 OD2 ASP A 58 32.556 35.517 21.755 1.00 0.00 O ATOM 0 H ASP A 58 34.234 38.425 22.239 1.00 0.00 H new ATOM 0 HA ASP A 58 33.360 36.479 24.089 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.661 36.496 22.107 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.084 35.077 22.959 1.00 0.00 H new ATOM 927 N TYR A 59 35.950 38.103 25.024 1.00 0.00 N ATOM 928 CA TYR A 59 36.763 38.434 26.178 1.00 0.00 C ATOM 929 C TYR A 59 36.098 39.373 27.186 1.00 0.00 C ATOM 930 O TYR A 59 36.744 39.773 28.152 1.00 0.00 O ATOM 931 CB TYR A 59 38.123 38.945 25.716 1.00 0.00 C ATOM 932 CG TYR A 59 39.151 37.861 25.489 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.568 37.073 26.568 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.747 37.696 24.233 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.549 36.090 26.391 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.753 36.741 24.052 1.00 0.00 C ATOM 937 CZ TYR A 59 41.145 35.917 25.126 1.00 0.00 C ATOM 938 OH TYR A 59 42.099 34.961 24.937 1.00 0.00 O ATOM 0 H TYR A 59 35.951 38.848 24.327 1.00 0.00 H new ATOM 0 HA TYR A 59 36.895 37.511 26.742 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.992 39.505 24.790 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.507 39.644 26.459 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.130 37.224 27.544 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.429 38.308 23.402 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.848 35.467 27.221 1.00 0.00 H new ATOM 0 HE2 TYR A 59 41.230 36.635 23.089 1.00 0.00 H new ATOM 0 HH TYR A 59 41.694 34.174 24.516 1.00 0.00 H new ATOM 948 N ASN A 60 34.817 39.694 27.030 1.00 0.00 N ATOM 949 CA ASN A 60 34.058 40.563 27.907 1.00 0.00 C ATOM 950 C ASN A 60 34.612 41.983 28.032 1.00 0.00 C ATOM 951 O ASN A 60 34.520 42.607 29.087 1.00 0.00 O ATOM 952 CB ASN A 60 33.797 39.839 29.224 1.00 0.00 C ATOM 953 CG ASN A 60 32.698 40.454 30.094 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.837 41.211 29.650 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.640 40.072 31.367 1.00 0.00 N ATOM 0 H ASN A 60 34.261 39.337 26.253 1.00 0.00 H new ATOM 0 HA ASN A 60 33.090 40.760 27.447 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.531 38.805 29.006 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.723 39.815 29.798 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.885 40.407 31.966 1.00 0.00 H new ATOM 0 HD22 ASN A 60 33.350 39.444 31.744 1.00 0.00 H new ATOM 962 N ILE A 61 35.204 42.524 26.972 1.00 0.00 N ATOM 963 CA ILE A 61 35.751 43.866 26.948 1.00 0.00 C ATOM 964 C ILE A 61 34.674 44.863 26.517 1.00 0.00 C ATOM 965 O ILE A 61 34.050 44.707 25.468 1.00 0.00 O ATOM 966 CB ILE A 61 37.008 43.920 26.084 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.116 43.057 26.679 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.519 45.352 25.940 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.141 42.578 25.654 1.00 0.00 C ATOM 0 H ILE A 61 35.317 42.026 26.089 1.00 0.00 H new ATOM 0 HA ILE A 61 36.062 44.154 27.952 1.00 0.00 H new ATOM 0 HB ILE A 61 36.737 43.536 25.100 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.630 43.625 27.454 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.668 42.190 27.164 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.415 45.358 25.319 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.750 45.967 25.473 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.757 45.754 26.925 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.897 41.971 26.152 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.641 41.982 24.891 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.618 43.439 25.186 1.00 0.00 H new ATOM 981 N GLN A 62 34.454 45.889 27.333 1.00 0.00 N ATOM 982 CA GLN A 62 33.394 46.867 27.194 1.00 0.00 C ATOM 983 C GLN A 62 33.916 48.304 27.137 1.00 0.00 C ATOM 984 O GLN A 62 35.084 48.547 27.428 1.00 0.00 O ATOM 985 CB GLN A 62 32.420 46.716 28.359 1.00 0.00 C ATOM 986 CG GLN A 62 31.677 45.383 28.365 1.00 0.00 C ATOM 987 CD GLN A 62 30.633 45.332 29.483 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.510 45.813 29.344 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.966 44.792 30.652 1.00 0.00 N ATOM 0 H GLN A 62 35.042 46.065 28.148 1.00 0.00 H new ATOM 0 HA GLN A 62 32.893 46.676 26.245 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.968 46.821 29.296 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.693 47.527 28.322 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.189 45.232 27.402 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.389 44.568 28.493 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.894 44.389 30.782 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.293 44.781 31.419 1.00 0.00 H new ATOM 998 N LYS A 63 33.048 49.265 26.834 1.00 0.00 N ATOM 999 CA LYS A 63 33.310 50.690 26.887 1.00 0.00 C ATOM 1000 C LYS A 63 34.016 51.121 28.175 1.00 0.00 C ATOM 1001 O LYS A 63 33.712 50.607 29.249 1.00 0.00 O ATOM 1002 CB LYS A 63 32.018 51.473 26.669 1.00 0.00 C ATOM 1003 CG LYS A 63 31.015 51.402 27.818 1.00 0.00 C ATOM 1004 CD LYS A 63 29.687 52.068 27.472 1.00 0.00 C ATOM 1005 CE LYS A 63 28.723 52.133 28.653 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.159 53.088 29.683 1.00 0.00 N ATOM 0 H LYS A 63 32.097 49.055 26.530 1.00 0.00 H new ATOM 0 HA LYS A 63 34.002 50.920 26.077 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.271 52.518 26.492 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.536 51.104 25.764 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.838 50.358 28.078 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.441 51.883 28.699 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.878 53.079 27.111 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.215 51.521 26.656 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.733 52.416 28.295 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.630 51.142 29.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.438 53.145 30.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.059 52.768 30.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.288 54.026 29.254 1.00 0.00 H new ATOM 1020 N GLU A 64 34.955 52.055 28.054 1.00 0.00 N ATOM 1021 CA GLU A 64 35.792 52.568 29.119 1.00 0.00 C ATOM 1022 C GLU A 64 36.686 51.546 29.826 1.00 0.00 C ATOM 1023 O GLU A 64 37.169 51.803 30.926 1.00 0.00 O ATOM 1024 CB GLU A 64 35.009 53.433 30.102 1.00 0.00 C ATOM 1025 CG GLU A 64 34.355 54.664 29.480 1.00 0.00 C ATOM 1026 CD GLU A 64 33.798 55.586 30.568 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.569 55.803 30.634 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.593 56.117 31.373 1.00 0.00 O ATOM 0 H GLU A 64 35.159 52.495 27.157 1.00 0.00 H new ATOM 0 HA GLU A 64 36.505 53.207 28.598 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.235 52.822 30.568 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.681 53.757 30.897 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.084 55.204 28.876 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.552 54.357 28.810 1.00 0.00 H new ATOM 1035 N SER A 65 36.956 50.385 29.238 1.00 0.00 N ATOM 1036 CA SER A 65 37.946 49.463 29.758 1.00 0.00 C ATOM 1037 C SER A 65 39.367 50.012 29.615 1.00 0.00 C ATOM 1038 O SER A 65 39.703 50.566 28.571 1.00 0.00 O ATOM 1039 CB SER A 65 37.895 48.111 29.054 1.00 0.00 C ATOM 1040 OG SER A 65 36.636 47.499 29.233 1.00 0.00 O ATOM 0 H SER A 65 36.492 50.062 28.389 1.00 0.00 H new ATOM 0 HA SER A 65 37.701 49.338 30.813 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.092 48.242 27.990 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.679 47.462 29.446 1.00 0.00 H new ATOM 0 HG SER A 65 36.065 47.695 28.461 1.00 0.00 H new ATOM 1046 N THR A 66 40.222 49.782 30.607 1.00 0.00 N ATOM 1047 CA THR A 66 41.659 49.900 30.471 1.00 0.00 C ATOM 1048 C THR A 66 42.257 48.516 30.210 1.00 0.00 C ATOM 1049 O THR A 66 41.964 47.555 30.917 1.00 0.00 O ATOM 1050 CB THR A 66 42.299 50.565 31.687 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.999 51.942 31.691 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.824 50.497 31.696 1.00 0.00 C ATOM 0 H THR A 66 39.924 49.504 31.542 1.00 0.00 H new ATOM 0 HA THR A 66 41.874 50.549 29.622 1.00 0.00 H new ATOM 0 HB THR A 66 41.900 50.024 32.545 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.410 52.364 32.474 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.205 50.990 32.590 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.142 49.454 31.694 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.216 50.998 30.811 1.00 0.00 H new ATOM 1060 N LEU A 67 43.123 48.424 29.206 1.00 0.00 N ATOM 1061 CA LEU A 67 43.924 47.268 28.854 1.00 0.00 C ATOM 1062 C LEU A 67 45.409 47.598 29.011 1.00 0.00 C ATOM 1063 O LEU A 67 45.795 48.765 29.024 1.00 0.00 O ATOM 1064 CB LEU A 67 43.617 46.826 27.426 1.00 0.00 C ATOM 1065 CG LEU A 67 42.175 46.426 27.126 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.306 47.592 26.667 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.160 45.401 25.995 1.00 0.00 C ATOM 0 H LEU A 67 43.291 49.210 28.578 1.00 0.00 H new ATOM 0 HA LEU A 67 43.677 46.445 29.525 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.892 47.638 26.752 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.261 45.980 27.186 1.00 0.00 H new ATOM 0 HG LEU A 67 41.772 46.034 28.060 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.294 47.237 26.471 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.279 48.354 27.446 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.723 48.020 25.755 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.131 45.113 25.778 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.610 45.837 25.103 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.728 44.520 26.295 1.00 0.00 H new ATOM 1079 N HIS A 68 46.257 46.576 29.084 1.00 0.00 N ATOM 1080 CA HIS A 68 47.699 46.726 29.118 1.00 0.00 C ATOM 1081 C HIS A 68 48.337 46.093 27.879 1.00 0.00 C ATOM 1082 O HIS A 68 47.893 45.044 27.419 1.00 0.00 O ATOM 1083 CB HIS A 68 48.277 46.140 30.403 1.00 0.00 C ATOM 1084 CG HIS A 68 47.573 46.516 31.677 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.280 45.636 32.718 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.115 47.762 32.018 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.657 46.355 33.656 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.538 47.636 33.267 1.00 0.00 N ATOM 0 H HIS A 68 45.950 45.604 29.122 1.00 0.00 H new ATOM 0 HA HIS A 68 47.934 47.790 29.107 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.273 45.053 30.317 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.319 46.449 30.483 1.00 0.00 H new ATOM 0 HD2 HIS A 68 47.190 48.663 31.428 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.299 45.962 34.596 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.098 48.385 33.801 1.00 0.00 H new ATOM 1096 N LEU A 69 49.396 46.712 27.365 1.00 0.00 N ATOM 1097 CA LEU A 69 50.252 46.207 26.310 1.00 0.00 C ATOM 1098 C LEU A 69 51.650 45.931 26.868 1.00 0.00 C ATOM 1099 O LEU A 69 52.185 46.723 27.640 1.00 0.00 O ATOM 1100 CB LEU A 69 50.277 47.222 25.171 1.00 0.00 C ATOM 1101 CG LEU A 69 51.233 46.922 24.020 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.847 45.683 23.217 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.290 48.100 23.052 1.00 0.00 C ATOM 0 H LEU A 69 49.691 47.630 27.696 1.00 0.00 H new ATOM 0 HA LEU A 69 49.868 45.265 25.919 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.269 47.306 24.765 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.536 48.196 25.586 1.00 0.00 H new ATOM 0 HG LEU A 69 52.201 46.742 24.487 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.569 45.529 22.415 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.841 44.812 23.872 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.854 45.822 22.789 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.976 47.869 22.238 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.295 48.286 22.647 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.639 48.988 23.579 1.00 0.00 H new ATOM 1115 N VAL A 70 52.266 44.841 26.419 1.00 0.00 N ATOM 1116 CA VAL A 70 53.660 44.514 26.644 1.00 0.00 C ATOM 1117 C VAL A 70 54.337 44.264 25.294 1.00 0.00 C ATOM 1118 O VAL A 70 53.781 43.580 24.437 1.00 0.00 O ATOM 1119 CB VAL A 70 53.804 43.319 27.581 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.269 43.042 27.907 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.077 43.513 28.909 1.00 0.00 C ATOM 0 H VAL A 70 51.781 44.135 25.865 1.00 0.00 H new ATOM 0 HA VAL A 70 54.154 45.352 27.135 1.00 0.00 H new ATOM 0 HB VAL A 70 53.358 42.483 27.043 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.337 42.185 28.577 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.812 42.828 26.987 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.706 43.916 28.391 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.216 42.630 29.532 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.481 44.386 29.421 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.013 43.662 28.723 1.00 0.00 H new ATOM 1131 N LEU A 71 55.528 44.826 25.112 1.00 0.00 N ATOM 1132 CA LEU A 71 56.407 44.588 23.984 1.00 0.00 C ATOM 1133 C LEU A 71 57.421 43.497 24.336 1.00 0.00 C ATOM 1134 O LEU A 71 58.043 43.546 25.394 1.00 0.00 O ATOM 1135 CB LEU A 71 57.149 45.857 23.576 1.00 0.00 C ATOM 1136 CG LEU A 71 56.337 46.920 22.841 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.388 47.704 23.744 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.283 47.927 22.195 1.00 0.00 C ATOM 0 H LEU A 71 55.920 45.489 25.781 1.00 0.00 H new ATOM 0 HA LEU A 71 55.791 44.267 23.144 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.568 46.310 24.475 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.988 45.571 22.942 1.00 0.00 H new ATOM 0 HG LEU A 71 55.738 46.381 22.107 1.00 0.00 H new ATOM 0 HD11 LEU A 71 54.846 48.440 23.150 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.679 47.019 24.208 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.961 48.213 24.519 1.00 0.00 H new ATOM 0 HD21 LEU A 71 56.703 48.686 21.670 1.00 0.00 H new ATOM 0 HD22 LEU A 71 57.890 48.402 22.966 1.00 0.00 H new ATOM 0 HD23 LEU A 71 57.933 47.413 21.487 1.00 0.00 H new ATOM 1150 N ARG A 72 57.646 42.551 23.430 1.00 0.00 N ATOM 1151 CA ARG A 72 58.663 41.529 23.568 1.00 0.00 C ATOM 1152 C ARG A 72 60.079 42.109 23.606 1.00 0.00 C ATOM 1153 O ARG A 72 60.383 43.085 22.924 1.00 0.00 O ATOM 1154 CB ARG A 72 58.527 40.474 22.475 1.00 0.00 C ATOM 1155 CG ARG A 72 57.394 39.488 22.743 1.00 0.00 C ATOM 1156 CD ARG A 72 57.408 38.366 21.709 1.00 0.00 C ATOM 1157 NE ARG A 72 56.509 37.271 22.076 1.00 0.00 N ATOM 1158 CZ ARG A 72 56.103 36.281 21.269 1.00 0.00 C ATOM 1159 NH1 ARG A 72 56.340 36.268 19.950 1.00 0.00 N ATOM 1160 NH2 ARG A 72 55.441 35.226 21.764 1.00 0.00 N ATOM 0 H ARG A 72 57.113 42.477 22.564 1.00 0.00 H new ATOM 0 HA ARG A 72 58.499 41.048 24.532 1.00 0.00 H new ATOM 0 HB2 ARG A 72 58.354 40.968 21.519 1.00 0.00 H new ATOM 0 HB3 ARG A 72 59.465 39.927 22.386 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.497 39.070 23.744 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.436 40.008 22.712 1.00 0.00 H new ATOM 0 HD2 ARG A 72 57.116 38.765 20.737 1.00 0.00 H new ATOM 0 HD3 ARG A 72 58.423 37.982 21.604 1.00 0.00 H new ATOM 0 HE ARG A 72 56.159 37.260 23.034 1.00 0.00 H new ATOM 0 HH11 ARG A 72 56.852 37.036 19.516 1.00 0.00 H new ATOM 0 HH12 ARG A 72 56.009 35.490 19.380 1.00 0.00 H new ATOM 0 HH21 ARG A 72 55.242 35.172 22.763 1.00 0.00 H new ATOM 0 HH22 ARG A 72 55.136 34.478 21.142 1.00 0.00 H new ATOM 1174 N LEU A 73 60.930 41.470 24.404 1.00 0.00 N ATOM 1175 CA LEU A 73 62.291 41.869 24.699 1.00 0.00 C ATOM 1176 C LEU A 73 63.331 41.067 23.915 1.00 0.00 C ATOM 1177 O LEU A 73 63.077 39.935 23.508 1.00 0.00 O ATOM 1178 CB LEU A 73 62.530 41.759 26.201 1.00 0.00 C ATOM 1179 CG LEU A 73 61.656 42.662 27.066 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.965 42.421 28.541 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.888 44.142 26.771 1.00 0.00 C ATOM 0 H LEU A 73 60.667 40.611 24.887 1.00 0.00 H new ATOM 0 HA LEU A 73 62.413 42.904 24.380 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.367 40.725 26.504 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.576 41.990 26.404 1.00 0.00 H new ATOM 0 HG LEU A 73 60.619 42.417 26.835 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.338 43.068 29.155 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.763 41.379 28.789 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.014 42.643 28.734 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.244 44.746 27.411 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.931 44.393 26.966 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.655 44.346 25.726 1.00 0.00 H new ATOM 1193 N ARG A 74 64.520 41.639 23.747 1.00 0.00 N ATOM 1194 CA ARG A 74 65.631 41.132 22.969 1.00 0.00 C ATOM 1195 C ARG A 74 65.209 40.663 21.575 1.00 0.00 C ATOM 1196 O ARG A 74 65.682 39.636 21.093 1.00 0.00 O ATOM 1197 CB ARG A 74 66.438 40.119 23.776 1.00 0.00 C ATOM 1198 CG ARG A 74 66.957 40.670 25.101 1.00 0.00 C ATOM 1199 CD ARG A 74 67.663 39.582 25.903 1.00 0.00 C ATOM 1200 NE ARG A 74 68.124 40.086 27.197 1.00 0.00 N ATOM 1201 CZ ARG A 74 68.596 39.357 28.218 1.00 0.00 C ATOM 1202 NH1 ARG A 74 68.825 38.040 28.120 1.00 0.00 N ATOM 1203 NH2 ARG A 74 68.860 39.954 29.389 1.00 0.00 N ATOM 0 H ARG A 74 64.741 42.533 24.185 1.00 0.00 H new ATOM 0 HA ARG A 74 66.314 41.956 22.763 1.00 0.00 H new ATOM 0 HB2 ARG A 74 65.816 39.246 23.974 1.00 0.00 H new ATOM 0 HB3 ARG A 74 67.283 39.780 23.177 1.00 0.00 H new ATOM 0 HG2 ARG A 74 67.646 41.493 24.912 1.00 0.00 H new ATOM 0 HG3 ARG A 74 66.128 41.075 25.681 1.00 0.00 H new ATOM 0 HD2 ARG A 74 66.984 38.744 26.058 1.00 0.00 H new ATOM 0 HD3 ARG A 74 68.513 39.203 25.335 1.00 0.00 H new ATOM 0 HE ARG A 74 68.082 41.096 27.336 1.00 0.00 H new ATOM 0 HH11 ARG A 74 68.639 37.554 27.243 1.00 0.00 H new ATOM 0 HH12 ARG A 74 69.185 37.524 28.923 1.00 0.00 H new ATOM 0 HH21 ARG A 74 68.701 40.956 29.498 1.00 0.00 H new ATOM 0 HH22 ARG A 74 69.219 39.407 30.171 1.00 0.00 H new ATOM 1217 N GLY A 75 64.300 41.401 20.945 1.00 0.00 N ATOM 1218 CA GLY A 75 63.532 41.031 19.772 1.00 0.00 C ATOM 1219 C GLY A 75 64.265 40.979 18.430 1.00 0.00 C ATOM 1220 O GLY A 75 63.627 41.098 17.387 1.00 0.00 O ATOM 0 H GLY A 75 64.068 42.340 21.268 1.00 0.00 H new ATOM 0 HA2 GLY A 75 63.094 40.049 19.953 1.00 0.00 H new ATOM 0 HA3 GLY A 75 62.706 41.736 19.676 1.00 0.00 H new ATOM 1224 N GLY A 76 65.586 40.818 18.442 1.00 0.00 N ATOM 1225 CA GLY A 76 66.462 40.708 17.295 1.00 0.00 C ATOM 1226 C GLY A 76 67.796 40.062 17.676 1.00 0.00 C ATOM 1227 O GLY A 76 68.372 40.456 18.713 1.00 0.00 O ATOM 1228 OXT GLY A 76 68.243 39.162 16.932 1.00 0.00 O ATOM 0 H GLY A 76 66.102 40.758 19.320 1.00 0.00 H new ATOM 0 HA2 GLY A 76 65.977 40.116 16.519 1.00 0.00 H new ATOM 0 HA3 GLY A 76 66.641 41.698 16.875 1.00 0.00 H new TER 1232 GLY A 76