USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -71:sc= 0.858 USER MOD Set 1.2: A 57 SER OG : rot -100:sc= 0.0368 USER MOD Set 2.1: A 7 THR OG1 : rot -67:sc= 0.183 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 154:sc= 0 (180deg=-1.03) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.867 (180deg=0.804) USER MOD Single : A 2 GLN : amide:sc= -1.84! C(o=-1.8!,f=-5.8!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -132:sc= -0.136 (180deg=-0.588) 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 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 25 ASN : amide:sc= -0.0172 K(o=-0.017,f=-1.4) USER MOD Single : A 27 LYS NZ :NH3+ -110:sc= 0.0349 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.88! C(o=-1.9!,f=-3.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 41 GLN : amide:sc= 0.269 K(o=0.27,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.26! K(o=-2.3!,f=-1.3) USER MOD Single : A 59 TYR OH : rot 180:sc= 0.343 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 140:sc= 0 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 26.786 24.655 2.870 1.00 49.53 N ATOM 2 CA MET A 1 25.720 25.639 3.131 1.00 50.07 C ATOM 3 C MET A 1 26.305 26.975 3.649 1.00 50.51 C ATOM 4 O MET A 1 27.492 27.016 3.973 1.00 49.49 O ATOM 5 CB MET A 1 24.717 25.076 4.136 1.00 49.82 C ATOM 6 CG MET A 1 24.036 23.789 3.692 1.00 49.86 C ATOM 7 SD MET A 1 22.723 23.274 4.817 1.00 49.91 S ATOM 8 CE MET A 1 22.273 21.692 4.109 1.00 49.78 C ATOM 0 H1 MET A 1 26.376 23.807 2.429 1.00 49.53 H new ATOM 0 H2 MET A 1 27.493 25.070 2.230 1.00 49.53 H new ATOM 0 H3 MET A 1 27.243 24.392 3.767 1.00 49.53 H new ATOM 0 HA MET A 1 25.207 25.839 2.190 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.231 24.894 5.080 1.00 49.82 H new ATOM 0 HB3 MET A 1 23.953 25.829 4.329 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.620 23.928 2.694 1.00 49.86 H new ATOM 0 HG3 MET A 1 24.780 22.995 3.620 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.846 21.055 4.884 1.00 49.78 H new ATOM 0 HE2 MET A 1 21.539 21.843 3.318 1.00 49.78 H new ATOM 0 HE3 MET A 1 23.160 21.214 3.694 1.00 49.78 H new ATOM 18 N GLN A 2 25.448 27.950 3.695 1.00 49.53 N ATOM 19 CA GLN A 2 25.890 29.281 4.217 1.00 50.07 C ATOM 20 C GLN A 2 25.246 29.520 5.576 1.00 50.51 C ATOM 21 O GLN A 2 24.011 29.364 5.782 1.00 49.49 O ATOM 22 CB GLN A 2 25.505 30.402 3.247 1.00 49.82 C ATOM 23 CG GLN A 2 26.366 30.466 1.998 1.00 49.82 C ATOM 24 CD GLN A 2 27.799 30.858 2.302 1.00 50.55 C ATOM 25 OE1 GLN A 2 28.434 30.295 3.198 1.00 49.45 O ATOM 26 NE2 GLN A 2 28.316 31.830 1.560 1.00 49.38 N ATOM 0 H GLN A 2 24.473 27.893 3.400 1.00 49.53 H new ATOM 0 HA GLN A 2 26.975 29.282 4.317 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.464 30.270 2.951 1.00 49.82 H new ATOM 0 HB3 GLN A 2 25.569 31.357 3.769 1.00 49.82 H new ATOM 0 HG2 GLN A 2 26.355 29.495 1.503 1.00 49.82 H new ATOM 0 HG3 GLN A 2 25.936 31.185 1.300 1.00 49.82 H new ATOM 0 HE21 GLN A 2 27.754 32.268 0.830 1.00 49.38 H new ATOM 0 HE22 GLN A 2 29.275 32.139 1.720 1.00 49.38 H new ATOM 35 N ILE A 3 26.086 29.845 6.546 1.00 49.53 N ATOM 36 CA ILE A 3 25.588 30.246 7.875 1.00 50.07 C ATOM 37 C ILE A 3 26.355 31.533 8.300 1.00 50.51 C ATOM 38 O ILE A 3 27.508 31.620 7.915 1.00 49.49 O ATOM 39 CB ILE A 3 25.801 29.144 8.929 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.290 28.827 9.078 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.021 27.892 8.554 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.607 27.906 10.234 1.00 49.73 C ATOM 0 H ILE A 3 27.102 29.843 6.453 1.00 49.53 H new ATOM 0 HA ILE A 3 24.515 30.425 7.813 1.00 50.07 H new ATOM 0 HB ILE A 3 25.430 29.505 9.888 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.649 28.372 8.155 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.839 29.760 9.208 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.182 27.123 9.309 1.00 49.73 H new ATOM 0 HG22 ILE A 3 23.958 28.128 8.498 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.363 27.527 7.586 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.682 27.729 10.274 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.281 28.367 11.166 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.088 26.958 10.097 1.00 49.73 H new ATOM 54 N PHE A 4 25.632 32.361 9.018 1.00 49.53 N ATOM 55 CA PHE A 4 26.295 33.637 9.485 1.00 50.07 C ATOM 56 C PHE A 4 26.622 33.640 10.953 1.00 50.51 C ATOM 57 O PHE A 4 25.720 33.259 11.714 1.00 49.49 O ATOM 58 CB PHE A 4 25.413 34.841 9.151 1.00 49.82 C ATOM 59 CG PHE A 4 25.243 35.078 7.677 1.00 50.00 C ATOM 60 CD1 PHE A 4 26.279 35.607 6.921 1.00 49.88 C ATOM 61 CD2 PHE A 4 24.049 34.770 7.043 1.00 49.88 C ATOM 62 CE1 PHE A 4 26.124 35.826 5.566 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.893 34.987 5.687 1.00 49.88 C ATOM 64 CZ PHE A 4 24.930 35.515 4.949 1.00 49.88 C ATOM 0 H PHE A 4 24.659 32.227 9.294 1.00 49.53 H new ATOM 0 HA PHE A 4 27.243 33.702 8.952 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.431 34.697 9.602 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.844 35.733 9.606 1.00 49.82 H new ATOM 0 HD1 PHE A 4 27.217 35.850 7.397 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.232 34.356 7.615 1.00 49.88 H new ATOM 0 HE1 PHE A 4 26.938 36.241 4.990 1.00 49.88 H new ATOM 0 HE2 PHE A 4 22.958 34.743 5.205 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.808 35.685 3.889 1.00 49.88 H new ATOM 74 N VAL A 5 27.797 34.082 11.388 1.00 49.53 N ATOM 75 CA VAL A 5 28.105 34.181 12.801 1.00 50.07 C ATOM 76 C VAL A 5 28.099 35.704 13.077 1.00 50.51 C ATOM 77 O VAL A 5 28.631 36.368 12.180 1.00 49.49 O ATOM 78 CB VAL A 5 29.480 33.581 13.151 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.764 33.734 14.638 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.540 32.117 12.747 1.00 49.73 C ATOM 0 H VAL A 5 28.554 34.379 10.772 1.00 49.53 H new ATOM 0 HA VAL A 5 27.388 33.623 13.404 1.00 50.07 H new ATOM 0 HB VAL A 5 30.245 34.124 12.595 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.739 33.305 14.868 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.761 34.792 14.902 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.995 33.215 15.211 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.518 31.709 13.002 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.766 31.561 13.277 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.379 32.029 11.673 1.00 49.73 H new ATOM 90 N LYS A 6 27.513 36.106 14.150 1.00 49.53 N ATOM 91 CA LYS A 6 27.426 37.573 14.467 1.00 50.07 C ATOM 92 C LYS A 6 27.946 37.958 15.826 1.00 50.51 C ATOM 93 O LYS A 6 27.419 37.486 16.861 1.00 49.49 O ATOM 94 CB LYS A 6 25.982 38.053 14.321 1.00 49.82 C ATOM 95 CG LYS A 6 25.788 39.546 14.550 1.00 49.82 C ATOM 96 CD LYS A 6 24.313 39.909 14.622 1.00 49.82 C ATOM 97 CE LYS A 6 24.119 41.401 14.852 1.00 50.21 C ATOM 98 NZ LYS A 6 22.680 41.773 14.906 1.00 49.70 N ATOM 0 H LYS A 6 27.081 35.490 14.839 1.00 49.53 H new ATOM 0 HA LYS A 6 28.080 38.064 13.746 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.628 37.802 13.321 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.357 37.506 15.027 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.282 39.841 15.476 1.00 49.82 H new ATOM 0 HG3 LYS A 6 26.263 40.104 13.743 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.819 39.615 13.696 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.838 39.350 15.428 1.00 49.82 H new ATOM 0 HE2 LYS A 6 24.604 41.690 15.784 1.00 50.21 H new ATOM 0 HE3 LYS A 6 24.608 41.958 14.053 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 22.592 42.797 15.064 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 22.222 41.521 14.007 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 22.218 41.262 15.685 1.00 49.70 H new ATOM 112 N THR A 7 28.978 38.830 15.869 1.00 49.53 N ATOM 113 CA THR A 7 29.537 39.251 17.162 1.00 50.07 C ATOM 114 C THR A 7 28.519 40.095 17.932 1.00 50.51 C ATOM 115 O THR A 7 27.417 40.284 17.413 1.00 49.49 O ATOM 116 CB THR A 7 30.834 40.059 16.984 1.00 50.14 C ATOM 117 OG1 THR A 7 30.539 41.311 16.349 1.00 49.34 O ATOM 118 CG2 THR A 7 31.831 39.287 16.133 1.00 49.73 C ATOM 0 H THR A 7 29.425 39.242 15.050 1.00 49.53 H new ATOM 0 HA THR A 7 29.769 38.347 17.725 1.00 50.07 H new ATOM 0 HB THR A 7 31.270 40.236 17.967 1.00 50.14 H new ATOM 0 HG1 THR A 7 30.239 41.149 15.430 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.742 39.874 16.018 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.068 38.340 16.619 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.398 39.093 15.152 1.00 49.73 H new ATOM 126 N LEU A 8 28.916 40.681 19.041 1.00 49.53 N ATOM 127 CA LEU A 8 27.978 41.478 19.864 1.00 50.07 C ATOM 128 C LEU A 8 27.988 42.914 19.378 1.00 50.51 C ATOM 129 O LEU A 8 27.030 43.661 19.648 1.00 49.49 O ATOM 130 CB LEU A 8 28.365 41.402 21.346 1.00 49.82 C ATOM 131 CG LEU A 8 27.720 40.252 22.131 1.00 49.91 C ATOM 132 CD1 LEU A 8 28.374 38.931 21.752 1.00 49.73 C ATOM 133 CD2 LEU A 8 27.860 40.513 23.624 1.00 49.73 C ATOM 0 H LEU A 8 29.867 40.633 19.406 1.00 49.53 H new ATOM 0 HA LEU A 8 26.971 41.073 19.763 1.00 50.07 H new ATOM 0 HB2 LEU A 8 29.448 41.307 21.418 1.00 49.82 H new ATOM 0 HB3 LEU A 8 28.095 42.344 21.824 1.00 49.82 H new ATOM 0 HG LEU A 8 26.660 40.192 21.883 1.00 49.91 H new ATOM 0 HD11 LEU A 8 27.910 38.121 22.314 1.00 49.73 H new ATOM 0 HD12 LEU A 8 28.243 38.753 20.685 1.00 49.73 H new ATOM 0 HD13 LEU A 8 29.438 38.972 21.986 1.00 49.73 H new ATOM 0 HD21 LEU A 8 27.402 39.696 24.181 1.00 49.73 H new ATOM 0 HD22 LEU A 8 28.916 40.582 23.884 1.00 49.73 H new ATOM 0 HD23 LEU A 8 27.362 41.449 23.878 1.00 49.73 H new ATOM 145 N THR A 9 29.039 43.315 18.636 1.00 49.53 N ATOM 146 CA THR A 9 29.003 44.745 18.177 1.00 50.07 C ATOM 147 C THR A 9 28.707 45.061 16.743 1.00 50.51 C ATOM 148 O THR A 9 29.128 46.100 16.201 1.00 49.49 O ATOM 149 CB THR A 9 30.326 45.448 18.538 1.00 50.14 C ATOM 150 OG1 THR A 9 31.420 44.758 17.920 1.00 49.34 O ATOM 151 CG2 THR A 9 30.528 45.465 20.045 1.00 49.73 C ATOM 0 H THR A 9 29.845 42.755 18.358 1.00 49.53 H new ATOM 0 HA THR A 9 28.126 45.110 18.712 1.00 50.07 H new ATOM 0 HB THR A 9 30.284 46.476 18.177 1.00 50.14 H new ATOM 0 HG1 THR A 9 32.261 45.207 18.149 1.00 49.34 H new ATOM 0 HG21 THR A 9 31.467 45.965 20.281 1.00 49.73 H new ATOM 0 HG22 THR A 9 29.704 46.000 20.517 1.00 49.73 H new ATOM 0 HG23 THR A 9 30.558 44.442 20.420 1.00 49.73 H new ATOM 159 N GLY A 10 28.183 44.129 16.011 1.00 49.53 N ATOM 160 CA GLY A 10 27.841 44.296 14.615 1.00 49.98 C ATOM 161 C GLY A 10 28.762 43.818 13.533 1.00 50.51 C ATOM 162 O GLY A 10 28.532 44.101 12.336 1.00 49.49 O ATOM 0 H GLY A 10 27.971 43.198 16.370 1.00 49.53 H new ATOM 0 HA2 GLY A 10 26.882 43.802 14.460 1.00 49.98 H new ATOM 0 HA3 GLY A 10 27.681 45.362 14.451 1.00 49.98 H new ATOM 166 N LYS A 11 29.795 43.111 13.918 1.00 49.53 N ATOM 167 CA LYS A 11 30.715 42.491 12.975 1.00 50.07 C ATOM 168 C LYS A 11 30.076 41.143 12.571 1.00 50.51 C ATOM 169 O LYS A 11 29.850 40.344 13.474 1.00 49.49 O ATOM 170 CB LYS A 11 32.093 42.278 13.603 1.00 49.82 C ATOM 171 CG LYS A 11 33.217 42.069 12.597 1.00 49.82 C ATOM 172 CD LYS A 11 34.381 41.311 13.218 1.00 49.82 C ATOM 173 CE LYS A 11 35.188 42.202 14.151 1.00 50.21 C ATOM 174 NZ LYS A 11 35.770 43.371 13.439 1.00 49.70 N ATOM 0 H LYS A 11 30.029 42.944 14.897 1.00 49.53 H new ATOM 0 HA LYS A 11 30.872 43.130 12.106 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.333 43.141 14.224 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.048 41.413 14.264 1.00 49.82 H new ATOM 0 HG2 LYS A 11 32.839 41.518 11.736 1.00 49.82 H new ATOM 0 HG3 LYS A 11 33.564 43.035 12.230 1.00 49.82 H new ATOM 0 HD2 LYS A 11 34.004 40.450 13.770 1.00 49.82 H new ATOM 0 HD3 LYS A 11 35.028 40.926 12.430 1.00 49.82 H new ATOM 0 HE2 LYS A 11 34.548 42.552 14.961 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.989 41.619 14.606 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 36.776 43.462 13.686 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 35.676 43.234 12.412 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 35.265 44.236 13.720 1.00 49.70 H new ATOM 188 N THR A 12 29.872 40.951 11.282 1.00 49.53 N ATOM 189 CA THR A 12 29.344 39.640 10.857 1.00 50.07 C ATOM 190 C THR A 12 30.366 38.853 10.039 1.00 50.51 C ATOM 191 O THR A 12 30.931 39.468 9.132 1.00 49.49 O ATOM 192 CB THR A 12 28.054 39.794 10.031 1.00 50.14 C ATOM 193 OG1 THR A 12 27.051 40.442 10.823 1.00 49.34 O ATOM 194 CG2 THR A 12 27.542 38.434 9.584 1.00 49.73 C ATOM 0 H THR A 12 30.046 41.629 10.540 1.00 49.53 H new ATOM 0 HA THR A 12 29.124 39.089 11.771 1.00 50.07 H new ATOM 0 HB THR A 12 28.274 40.395 9.149 1.00 50.14 H new ATOM 0 HG1 THR A 12 26.231 40.541 10.295 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.630 38.562 9.001 1.00 49.73 H new ATOM 0 HG22 THR A 12 28.298 37.944 8.971 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.330 37.819 10.459 1.00 49.73 H new ATOM 202 N ILE A 13 30.517 37.569 10.367 1.00 49.53 N ATOM 203 CA ILE A 13 31.515 36.817 9.552 1.00 50.07 C ATOM 204 C ILE A 13 30.922 35.703 8.734 1.00 50.51 C ATOM 205 O ILE A 13 29.819 35.218 9.054 1.00 49.49 O ATOM 206 CB ILE A 13 32.629 36.234 10.441 1.00 49.91 C ATOM 207 CG1 ILE A 13 32.026 35.413 11.583 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.509 37.347 10.988 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.045 34.616 12.367 1.00 49.73 C ATOM 0 H ILE A 13 30.030 37.058 11.103 1.00 49.53 H new ATOM 0 HA ILE A 13 31.922 37.553 8.858 1.00 50.07 H new ATOM 0 HB ILE A 13 33.248 35.574 9.833 1.00 49.91 H new ATOM 0 HG12 ILE A 13 31.502 36.084 12.263 1.00 49.82 H new ATOM 0 HG13 ILE A 13 31.282 34.730 11.173 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.291 36.918 11.614 1.00 49.73 H new ATOM 0 HG22 ILE A 13 33.964 37.891 10.160 1.00 49.73 H new ATOM 0 HG23 ILE A 13 32.903 38.031 11.582 1.00 49.73 H new ATOM 0 HD11 ILE A 13 32.542 34.061 13.159 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.552 33.918 11.701 1.00 49.73 H new ATOM 0 HD13 ILE A 13 33.776 35.294 12.808 1.00 49.73 H new ATOM 221 N THR A 14 31.551 35.340 7.639 1.00 49.53 N ATOM 222 CA THR A 14 30.973 34.204 6.862 1.00 50.07 C ATOM 223 C THR A 14 31.786 32.936 6.887 1.00 50.51 C ATOM 224 O THR A 14 33.041 32.987 6.805 1.00 49.49 O ATOM 225 CB THR A 14 30.744 34.604 5.393 1.00 50.14 C ATOM 226 OG1 THR A 14 29.705 35.589 5.319 1.00 49.34 O ATOM 227 CG2 THR A 14 30.346 33.390 4.566 1.00 49.73 C ATOM 0 H THR A 14 32.401 35.761 7.265 1.00 49.53 H new ATOM 0 HA THR A 14 30.031 33.987 7.367 1.00 50.07 H new ATOM 0 HB THR A 14 31.672 35.014 4.995 1.00 50.14 H new ATOM 0 HG1 THR A 14 29.562 35.844 4.384 1.00 49.34 H new ATOM 0 HG21 THR A 14 30.188 33.691 3.530 1.00 49.73 H new ATOM 0 HG22 THR A 14 31.139 32.644 4.610 1.00 49.73 H new ATOM 0 HG23 THR A 14 29.425 32.964 4.964 1.00 49.73 H new ATOM 235 N LEU A 15 31.147 31.778 6.926 1.00 49.53 N ATOM 236 CA LEU A 15 31.845 30.510 6.966 1.00 50.07 C ATOM 237 C LEU A 15 31.261 29.460 6.016 1.00 50.51 C ATOM 238 O LEU A 15 30.040 29.379 6.008 1.00 49.49 O ATOM 239 CB LEU A 15 31.855 29.969 8.401 1.00 49.82 C ATOM 240 CG LEU A 15 32.713 30.763 9.394 1.00 49.91 C ATOM 241 CD1 LEU A 15 32.388 30.341 10.820 1.00 49.73 C ATOM 242 CD2 LEU A 15 34.185 30.539 9.086 1.00 49.73 C ATOM 0 H LEU A 15 30.130 31.694 6.931 1.00 49.53 H new ATOM 0 HA LEU A 15 32.862 30.703 6.624 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.830 29.945 8.770 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.211 28.939 8.381 1.00 49.82 H new ATOM 0 HG LEU A 15 32.493 31.826 9.296 1.00 49.91 H new ATOM 0 HD11 LEU A 15 33.003 30.911 11.517 1.00 49.73 H new ATOM 0 HD12 LEU A 15 31.335 30.532 11.025 1.00 49.73 H new ATOM 0 HD13 LEU A 15 32.594 29.277 10.941 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.794 31.103 9.792 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.418 29.478 9.173 1.00 49.73 H new ATOM 0 HD23 LEU A 15 34.400 30.875 8.072 1.00 49.73 H new ATOM 254 N GLU A 16 32.143 28.723 5.386 1.00 49.53 N ATOM 255 CA GLU A 16 31.621 27.591 4.551 1.00 50.07 C ATOM 256 C GLU A 16 31.749 26.234 5.208 1.00 50.51 C ATOM 257 O GLU A 16 32.870 25.761 5.393 1.00 49.49 O ATOM 258 CB GLU A 16 32.327 27.571 3.193 1.00 49.82 C ATOM 259 CG GLU A 16 31.861 28.652 2.227 1.00 49.72 C ATOM 260 CD GLU A 16 32.549 28.528 0.897 1.00 50.62 C ATOM 261 OE1 GLU A 16 33.344 27.632 0.741 1.00 49.24 O ATOM 262 OE2 GLU A 16 32.199 29.259 0.000 1.00 49.24 O ATOM 0 H GLU A 16 33.156 28.844 5.408 1.00 49.53 H new ATOM 0 HA GLU A 16 30.554 27.777 4.427 1.00 50.07 H new ATOM 0 HB2 GLU A 16 33.400 27.681 3.353 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.172 26.596 2.731 1.00 49.82 H new ATOM 0 HG2 GLU A 16 30.782 28.579 2.089 1.00 49.72 H new ATOM 0 HG3 GLU A 16 32.062 29.635 2.653 1.00 49.72 H new ATOM 269 N VAL A 17 30.588 25.750 5.622 1.00 49.53 N ATOM 270 CA VAL A 17 30.487 24.475 6.322 1.00 50.07 C ATOM 271 C VAL A 17 29.460 23.502 5.725 1.00 50.51 C ATOM 272 O VAL A 17 28.427 23.907 5.143 1.00 49.49 O ATOM 273 CB VAL A 17 30.148 24.687 7.810 1.00 49.91 C ATOM 274 CG1 VAL A 17 31.307 25.361 8.528 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.880 25.515 7.955 1.00 49.73 C ATOM 0 H VAL A 17 29.695 26.224 5.485 1.00 49.53 H new ATOM 0 HA VAL A 17 31.471 24.021 6.206 1.00 50.07 H new ATOM 0 HB VAL A 17 29.978 23.712 8.267 1.00 49.91 H new ATOM 0 HG11 VAL A 17 31.051 25.503 9.578 1.00 49.73 H new ATOM 0 HG12 VAL A 17 32.196 24.734 8.453 1.00 49.73 H new ATOM 0 HG13 VAL A 17 31.506 26.329 8.069 1.00 49.73 H new ATOM 0 HG21 VAL A 17 28.656 25.655 9.012 1.00 49.73 H new ATOM 0 HG22 VAL A 17 29.024 26.487 7.483 1.00 49.73 H new ATOM 0 HG23 VAL A 17 28.050 24.997 7.473 1.00 49.73 H new ATOM 285 N GLU A 18 29.747 22.248 5.996 1.00 49.53 N ATOM 286 CA GLU A 18 28.878 21.123 5.647 1.00 50.07 C ATOM 287 C GLU A 18 28.021 20.509 6.742 1.00 50.51 C ATOM 288 O GLU A 18 28.267 20.696 7.922 1.00 49.49 O ATOM 289 CB GLU A 18 29.717 20.017 5.002 1.00 49.82 C ATOM 290 CG GLU A 18 30.464 20.445 3.746 1.00 49.72 C ATOM 291 CD GLU A 18 29.517 20.939 2.689 1.00 50.62 C ATOM 292 OE1 GLU A 18 28.332 20.770 2.853 1.00 49.24 O ATOM 293 OE2 GLU A 18 29.966 21.585 1.773 1.00 49.24 O ATOM 0 H GLU A 18 30.603 21.966 6.473 1.00 49.53 H new ATOM 0 HA GLU A 18 28.151 21.573 4.971 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.439 19.652 5.733 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.064 19.180 4.754 1.00 49.82 H new ATOM 0 HG2 GLU A 18 31.177 21.231 3.995 1.00 49.72 H new ATOM 0 HG3 GLU A 18 31.039 19.604 3.358 1.00 49.72 H new ATOM 300 N PRO A 19 26.965 19.816 6.357 1.00 49.71 N ATOM 301 CA PRO A 19 26.083 19.132 7.304 1.00 50.02 C ATOM 302 C PRO A 19 26.843 18.186 8.200 1.00 50.51 C ATOM 303 O PRO A 19 26.390 17.826 9.296 1.00 49.49 O ATOM 304 CB PRO A 19 25.097 18.365 6.394 1.00 49.82 C ATOM 305 CG PRO A 19 25.045 19.217 5.169 1.00 49.82 C ATOM 306 CD PRO A 19 26.528 19.613 4.953 1.00 50.00 C ATOM 0 HA PRO A 19 25.588 19.826 7.983 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.451 17.358 6.172 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.116 18.262 6.857 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.645 18.671 4.315 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.411 20.092 5.313 1.00 49.82 H new ATOM 0 HD2 PRO A 19 27.097 18.830 4.452 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.632 20.517 4.352 1.00 50.00 H new ATOM 314 N SER A 20 27.992 17.719 7.742 1.00 49.53 N ATOM 315 CA SER A 20 28.770 16.750 8.530 1.00 50.07 C ATOM 316 C SER A 20 29.987 17.257 9.268 1.00 50.51 C ATOM 317 O SER A 20 31.011 16.552 9.262 1.00 49.49 O ATOM 318 CB SER A 20 29.183 15.601 7.630 1.00 50.05 C ATOM 319 OG SER A 20 28.086 15.023 6.977 1.00 49.34 O ATOM 0 H SER A 20 28.409 17.982 6.849 1.00 49.53 H new ATOM 0 HA SER A 20 28.087 16.456 9.327 1.00 50.07 H new ATOM 0 HB2 SER A 20 29.898 15.960 6.889 1.00 50.05 H new ATOM 0 HB3 SER A 20 29.693 14.842 8.223 1.00 50.05 H new ATOM 0 HG SER A 20 28.395 14.289 6.406 1.00 49.34 H new ATOM 325 N ASP A 21 29.920 18.497 9.757 1.00 49.53 N ATOM 326 CA ASP A 21 31.119 19.018 10.467 1.00 50.07 C ATOM 327 C ASP A 21 30.855 19.253 11.931 1.00 50.51 C ATOM 328 O ASP A 21 30.032 20.115 12.301 1.00 49.49 O ATOM 329 CB ASP A 21 31.605 20.312 9.810 1.00 49.72 C ATOM 330 CG ASP A 21 32.283 20.116 8.461 1.00 50.62 C ATOM 331 OD1 ASP A 21 32.754 19.033 8.205 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.190 20.996 7.638 1.00 49.24 O ATOM 0 H ASP A 21 29.121 19.128 9.691 1.00 49.53 H new ATOM 0 HA ASP A 21 31.895 18.256 10.390 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.755 20.982 9.682 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.302 20.808 10.485 1.00 49.72 H new ATOM 337 N THR A 22 31.743 18.744 12.766 1.00 49.53 N ATOM 338 CA THR A 22 31.678 18.962 14.192 1.00 50.07 C ATOM 339 C THR A 22 31.705 20.449 14.618 1.00 50.51 C ATOM 340 O THR A 22 32.225 21.288 13.878 1.00 49.49 O ATOM 341 CB THR A 22 32.824 18.228 14.914 1.00 50.14 C ATOM 342 OG1 THR A 22 34.079 18.615 14.340 1.00 49.34 O ATOM 343 CG2 THR A 22 32.655 16.722 14.788 1.00 49.73 C ATOM 0 H THR A 22 32.530 18.167 12.469 1.00 49.53 H new ATOM 0 HA THR A 22 30.708 18.560 14.485 1.00 50.07 H new ATOM 0 HB THR A 22 32.801 18.498 15.970 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.807 18.149 14.801 1.00 49.34 H new ATOM 0 HG21 THR A 22 33.473 16.220 15.304 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.707 16.424 15.235 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.664 16.442 13.735 1.00 49.73 H new ATOM 351 N ILE A 23 31.142 20.662 15.810 1.00 49.53 N ATOM 352 CA ILE A 23 31.155 21.989 16.417 1.00 50.07 C ATOM 353 C ILE A 23 32.589 22.473 16.644 1.00 50.51 C ATOM 354 O ILE A 23 32.936 23.646 16.421 1.00 49.49 O ATOM 355 CB ILE A 23 30.398 22.005 17.758 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.894 21.848 17.524 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.690 23.290 18.518 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.330 22.813 16.506 1.00 49.73 C ATOM 0 H ILE A 23 30.679 19.942 16.365 1.00 49.53 H new ATOM 0 HA ILE A 23 30.652 22.661 15.722 1.00 50.07 H new ATOM 0 HB ILE A 23 30.742 21.164 18.360 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.692 20.829 17.195 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.372 21.987 18.471 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.147 23.285 19.463 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.760 23.362 18.714 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.372 24.145 17.922 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.260 22.640 16.395 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.500 23.836 16.842 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.824 22.659 15.546 1.00 49.73 H new ATOM 370 N GLU A 24 33.438 21.584 17.108 1.00 49.53 N ATOM 371 CA GLU A 24 34.883 21.944 17.299 1.00 50.07 C ATOM 372 C GLU A 24 35.442 22.395 15.973 1.00 50.51 C ATOM 373 O GLU A 24 35.968 23.525 15.839 1.00 49.49 O ATOM 374 CB GLU A 24 35.674 20.752 17.842 1.00 49.82 C ATOM 375 CG GLU A 24 37.172 20.998 17.969 1.00 49.72 C ATOM 376 CD GLU A 24 37.464 22.074 18.978 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.920 22.017 20.054 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.316 22.890 18.715 1.00 49.24 O ATOM 0 H GLU A 24 33.194 20.627 17.362 1.00 49.53 H new ATOM 0 HA GLU A 24 34.967 22.750 18.028 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.278 20.484 18.821 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.513 19.896 17.187 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.671 20.075 18.264 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.579 21.285 17.000 1.00 49.72 H new ATOM 385 N ASN A 25 35.386 21.524 14.979 1.00 49.53 N ATOM 386 CA ASN A 25 35.887 21.780 13.622 1.00 50.07 C ATOM 387 C ASN A 25 35.401 23.131 13.101 1.00 50.51 C ATOM 388 O ASN A 25 36.185 23.917 12.531 1.00 49.49 O ATOM 389 CB ASN A 25 35.487 20.674 12.664 1.00 49.82 C ATOM 390 CG ASN A 25 36.025 20.855 11.272 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.973 21.615 11.046 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.374 20.223 10.328 1.00 49.38 N ATOM 0 H ASN A 25 34.982 20.594 15.087 1.00 49.53 H new ATOM 0 HA ASN A 25 36.975 21.802 13.680 1.00 50.07 H new ATOM 0 HB2 ASN A 25 35.837 19.720 13.058 1.00 49.82 H new ATOM 0 HB3 ASN A 25 34.399 20.620 12.619 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.643 20.347 9.352 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.598 19.606 10.569 1.00 49.38 H new ATOM 399 N VAL A 26 34.123 23.380 13.350 1.00 49.53 N ATOM 400 CA VAL A 26 33.518 24.644 12.941 1.00 50.07 C ATOM 401 C VAL A 26 34.189 25.798 13.679 1.00 50.51 C ATOM 402 O VAL A 26 34.374 26.890 13.130 1.00 49.49 O ATOM 403 CB VAL A 26 32.004 24.669 13.222 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.461 26.084 13.087 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.272 23.727 12.280 1.00 49.73 C ATOM 0 H VAL A 26 33.491 22.736 13.826 1.00 49.53 H new ATOM 0 HA VAL A 26 33.664 24.750 11.866 1.00 50.07 H new ATOM 0 HB VAL A 26 31.838 24.331 14.245 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.390 26.083 13.289 1.00 49.73 H new ATOM 0 HG12 VAL A 26 31.964 26.736 13.800 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.639 26.447 12.075 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.203 23.757 12.493 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.446 24.036 11.249 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.641 22.711 12.422 1.00 49.73 H new ATOM 415 N LYS A 27 34.587 25.538 14.919 1.00 49.53 N ATOM 416 CA LYS A 27 35.242 26.572 15.733 1.00 50.07 C ATOM 417 C LYS A 27 36.677 26.733 15.259 1.00 50.51 C ATOM 418 O LYS A 27 37.241 27.847 15.400 1.00 49.49 O ATOM 419 CB LYS A 27 35.206 26.200 17.217 1.00 49.82 C ATOM 420 CG LYS A 27 33.828 26.295 17.856 1.00 49.82 C ATOM 421 CD LYS A 27 33.756 25.486 19.141 1.00 49.82 C ATOM 422 CE LYS A 27 34.592 26.120 20.243 1.00 50.21 C ATOM 423 NZ LYS A 27 34.493 25.365 21.522 1.00 49.70 N ATOM 0 H LYS A 27 34.473 24.637 15.383 1.00 49.53 H new ATOM 0 HA LYS A 27 34.709 27.515 15.616 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.577 25.182 17.333 1.00 49.82 H new ATOM 0 HB3 LYS A 27 35.890 26.853 17.759 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.594 27.338 18.068 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.075 25.935 17.155 1.00 49.82 H new ATOM 0 HD2 LYS A 27 32.719 25.410 19.467 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.107 24.471 18.954 1.00 49.82 H new ATOM 0 HE2 LYS A 27 35.634 26.164 19.928 1.00 50.21 H new ATOM 0 HE3 LYS A 27 34.264 27.147 20.402 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 33.957 25.925 22.215 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 34.005 24.462 21.355 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 35.448 25.180 21.891 1.00 49.70 H new ATOM 437 N ALA A 28 37.285 25.678 14.757 1.00 49.53 N ATOM 438 CA ALA A 28 38.646 25.747 14.210 1.00 50.07 C ATOM 439 C ALA A 28 38.535 26.586 12.949 1.00 50.51 C ATOM 440 O ALA A 28 39.505 27.333 12.580 1.00 49.49 O ATOM 441 CB ALA A 28 39.196 24.340 13.908 1.00 49.73 C ATOM 0 H ALA A 28 36.863 24.750 14.711 1.00 49.53 H new ATOM 0 HA ALA A 28 39.344 26.190 14.920 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.205 24.423 13.504 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.220 23.754 14.827 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.553 23.847 13.179 1.00 49.73 H new ATOM 447 N LYS A 29 37.410 26.555 12.251 1.00 49.53 N ATOM 448 CA LYS A 29 37.208 27.412 11.066 1.00 50.07 C ATOM 449 C LYS A 29 37.355 28.881 11.510 1.00 50.51 C ATOM 450 O LYS A 29 38.292 29.621 11.124 1.00 49.49 O ATOM 451 CB LYS A 29 35.832 27.171 10.442 1.00 49.82 C ATOM 452 CG LYS A 29 35.592 25.737 9.987 1.00 49.82 C ATOM 453 CD LYS A 29 36.489 25.371 8.815 1.00 49.82 C ATOM 454 CE LYS A 29 36.230 23.948 8.341 1.00 50.21 C ATOM 455 NZ LYS A 29 37.115 23.569 7.207 1.00 49.70 N ATOM 0 H LYS A 29 36.618 25.952 12.474 1.00 49.53 H new ATOM 0 HA LYS A 29 37.951 27.173 10.305 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.065 27.443 11.167 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.712 27.836 9.587 1.00 49.82 H new ATOM 0 HG2 LYS A 29 35.777 25.054 10.816 1.00 49.82 H new ATOM 0 HG3 LYS A 29 34.548 25.614 9.700 1.00 49.82 H new ATOM 0 HD2 LYS A 29 36.319 26.067 7.993 1.00 49.82 H new ATOM 0 HD3 LYS A 29 37.534 25.474 9.108 1.00 49.82 H new ATOM 0 HE2 LYS A 29 36.385 23.256 9.169 1.00 50.21 H new ATOM 0 HE3 LYS A 29 35.188 23.851 8.036 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 36.906 22.593 6.915 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 36.949 24.213 6.407 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 38.109 23.636 7.505 1.00 49.70 H new ATOM 469 N ILE A 30 36.452 29.305 12.393 1.00 49.53 N ATOM 470 CA ILE A 30 36.511 30.696 12.881 1.00 50.07 C ATOM 471 C ILE A 30 37.952 31.022 13.296 1.00 50.51 C ATOM 472 O ILE A 30 38.398 32.181 13.129 1.00 49.49 O ATOM 473 CB ILE A 30 35.568 30.926 14.076 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.109 30.926 13.611 1.00 49.82 C ATOM 475 CG2 ILE A 30 35.907 32.231 14.778 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.108 30.878 14.744 1.00 49.73 C ATOM 0 H ILE A 30 35.696 28.738 12.777 1.00 49.53 H new ATOM 0 HA ILE A 30 36.188 31.352 12.073 1.00 50.07 H new ATOM 0 HB ILE A 30 35.703 30.111 14.787 1.00 49.91 H new ATOM 0 HG12 ILE A 30 33.927 31.821 13.015 1.00 49.82 H new ATOM 0 HG13 ILE A 30 33.946 30.069 12.957 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.231 32.378 15.620 1.00 49.73 H new ATOM 0 HG22 ILE A 30 36.934 32.193 15.140 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.799 33.059 14.078 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.097 30.881 14.337 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.262 29.970 15.327 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.243 31.749 15.386 1.00 49.73 H new ATOM 488 N GLN A 31 38.657 30.090 13.885 1.00 49.53 N ATOM 489 CA GLN A 31 40.067 30.405 14.278 1.00 50.07 C ATOM 490 C GLN A 31 40.913 30.921 13.103 1.00 50.51 C ATOM 491 O GLN A 31 41.628 31.951 13.116 1.00 49.49 O ATOM 492 CB GLN A 31 40.737 29.168 14.883 1.00 49.82 C ATOM 493 CG GLN A 31 42.066 29.450 15.562 1.00 49.82 C ATOM 494 CD GLN A 31 42.819 28.180 15.911 1.00 50.55 C ATOM 495 OE1 GLN A 31 42.385 27.074 15.578 1.00 49.45 O ATOM 496 NE2 GLN A 31 43.950 28.331 16.590 1.00 49.38 N ATOM 0 H GLN A 31 38.331 29.149 14.107 1.00 49.53 H new ATOM 0 HA GLN A 31 40.013 31.204 15.018 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.059 28.720 15.609 1.00 49.82 H new ATOM 0 HB3 GLN A 31 40.893 28.431 14.095 1.00 49.82 H new ATOM 0 HG2 GLN A 31 42.682 30.066 14.907 1.00 49.82 H new ATOM 0 HG3 GLN A 31 41.892 30.027 16.470 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.271 29.265 16.844 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.498 27.513 16.857 1.00 49.38 H new ATOM 505 N ASP A 32 40.853 30.159 12.037 1.00 49.53 N ATOM 506 CA ASP A 32 41.597 30.525 10.810 1.00 50.07 C ATOM 507 C ASP A 32 41.337 31.973 10.451 1.00 50.51 C ATOM 508 O ASP A 32 42.244 32.833 10.369 1.00 49.49 O ATOM 509 CB ASP A 32 41.201 29.612 9.646 1.00 49.72 C ATOM 510 CG ASP A 32 41.889 28.254 9.650 1.00 50.62 C ATOM 511 OD1 ASP A 32 42.681 28.014 10.532 1.00 49.24 O ATOM 512 OD2 ASP A 32 41.508 27.414 8.872 1.00 49.24 O ATOM 0 H ASP A 32 40.314 29.295 11.973 1.00 49.53 H new ATOM 0 HA ASP A 32 42.662 30.396 11.003 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.122 29.459 9.671 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.430 30.119 8.709 1.00 49.72 H new ATOM 517 N LYS A 33 40.066 32.325 10.183 1.00 49.53 N ATOM 518 CA LYS A 33 39.846 33.727 9.737 1.00 50.07 C ATOM 519 C LYS A 33 39.710 34.808 10.750 1.00 50.51 C ATOM 520 O LYS A 33 40.377 35.880 10.543 1.00 49.49 O ATOM 521 CB LYS A 33 38.626 33.774 8.816 1.00 49.82 C ATOM 522 CG LYS A 33 38.370 35.133 8.179 1.00 49.82 C ATOM 523 CD LYS A 33 37.091 35.125 7.355 1.00 49.82 C ATOM 524 CE LYS A 33 36.860 36.469 6.678 1.00 50.21 C ATOM 525 NZ LYS A 33 35.622 36.470 5.852 1.00 49.70 N ATOM 0 H LYS A 33 39.241 31.729 10.255 1.00 49.53 H new ATOM 0 HA LYS A 33 40.794 33.964 9.253 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.754 33.034 8.026 1.00 49.82 H new ATOM 0 HB3 LYS A 33 37.744 33.482 9.386 1.00 49.82 H new ATOM 0 HG2 LYS A 33 38.300 35.894 8.956 1.00 49.82 H new ATOM 0 HG3 LYS A 33 39.213 35.404 7.543 1.00 49.82 H new ATOM 0 HD2 LYS A 33 37.147 34.340 6.601 1.00 49.82 H new ATOM 0 HD3 LYS A 33 36.243 34.889 7.998 1.00 49.82 H new ATOM 0 HE2 LYS A 33 36.791 37.250 7.435 1.00 50.21 H new ATOM 0 HE3 LYS A 33 37.716 36.710 6.048 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 35.501 37.403 5.409 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 35.697 35.742 5.113 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 34.801 36.265 6.457 1.00 49.70 H new ATOM 539 N GLU A 34 39.044 34.662 11.862 1.00 49.53 N ATOM 540 CA GLU A 34 38.884 35.677 12.878 1.00 50.07 C ATOM 541 C GLU A 34 40.174 35.773 13.654 1.00 50.51 C ATOM 542 O GLU A 34 40.520 36.859 14.130 1.00 49.49 O ATOM 543 CB GLU A 34 37.718 35.340 13.809 1.00 49.82 C ATOM 544 CG GLU A 34 37.578 36.271 15.006 1.00 49.72 C ATOM 545 CD GLU A 34 37.419 37.701 14.569 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.162 37.924 13.410 1.00 49.24 O ATOM 547 OE2 GLU A 34 37.442 38.565 15.414 1.00 49.24 O ATOM 0 H GLU A 34 38.573 33.789 12.100 1.00 49.53 H new ATOM 0 HA GLU A 34 38.657 36.635 12.410 1.00 50.07 H new ATOM 0 HB2 GLU A 34 36.792 35.365 13.235 1.00 49.82 H new ATOM 0 HB3 GLU A 34 37.841 34.319 14.171 1.00 49.82 H new ATOM 0 HG2 GLU A 34 36.716 35.973 15.603 1.00 49.72 H new ATOM 0 HG3 GLU A 34 38.456 36.179 15.646 1.00 49.72 H new ATOM 554 N GLY A 35 40.892 34.671 13.788 1.00 49.53 N ATOM 555 CA GLY A 35 42.173 34.650 14.442 1.00 49.98 C ATOM 556 C GLY A 35 42.010 34.398 15.890 1.00 50.51 C ATOM 557 O GLY A 35 43.022 34.321 16.635 1.00 49.49 O ATOM 0 H GLY A 35 40.592 33.761 13.440 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.801 33.876 14.000 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.683 35.601 14.287 1.00 49.98 H new ATOM 561 N ILE A 36 40.767 34.186 16.354 1.00 49.53 N ATOM 562 CA ILE A 36 40.581 33.926 17.790 1.00 50.07 C ATOM 563 C ILE A 36 40.716 32.444 18.097 1.00 50.51 C ATOM 564 O ILE A 36 40.160 31.593 17.379 1.00 49.49 O ATOM 565 CB ILE A 36 39.209 34.421 18.282 1.00 49.91 C ATOM 566 CG1 ILE A 36 39.090 35.936 18.094 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.999 34.045 19.742 1.00 49.73 C ATOM 568 CD1 ILE A 36 37.698 36.474 18.336 1.00 49.73 C ATOM 0 H ILE A 36 39.917 34.188 15.790 1.00 49.53 H new ATOM 0 HA ILE A 36 41.362 34.477 18.315 1.00 50.07 H new ATOM 0 HB ILE A 36 38.433 33.938 17.688 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.784 36.432 18.772 1.00 49.82 H new ATOM 0 HG13 ILE A 36 39.397 36.192 17.080 1.00 49.82 H new ATOM 0 HG21 ILE A 36 38.024 34.403 20.073 1.00 49.73 H new ATOM 0 HG22 ILE A 36 39.043 32.961 19.849 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.779 34.502 20.351 1.00 49.73 H new ATOM 0 HD11 ILE A 36 37.694 37.553 18.184 1.00 49.73 H new ATOM 0 HD12 ILE A 36 37.001 36.006 17.640 1.00 49.73 H new ATOM 0 HD13 ILE A 36 37.394 36.251 19.359 1.00 49.73 H new ATOM 580 N PRO A 37 41.425 32.112 19.169 1.00 49.71 N ATOM 581 CA PRO A 37 41.612 30.719 19.612 1.00 50.02 C ATOM 582 C PRO A 37 40.275 30.045 19.855 1.00 50.51 C ATOM 583 O PRO A 37 39.399 30.675 20.503 1.00 49.49 O ATOM 584 CB PRO A 37 42.345 30.947 20.970 1.00 49.82 C ATOM 585 CG PRO A 37 43.131 32.203 20.734 1.00 49.82 C ATOM 586 CD PRO A 37 42.106 33.101 20.055 1.00 50.00 C ATOM 0 HA PRO A 37 42.139 30.086 18.898 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.640 31.063 21.793 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.994 30.108 21.222 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.497 32.635 21.665 1.00 49.82 H new ATOM 0 HG3 PRO A 37 44.000 32.026 20.101 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.421 33.561 20.767 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.571 33.910 19.493 1.00 50.00 H new ATOM 594 N PRO A 38 40.100 28.817 19.429 1.00 49.71 N ATOM 595 CA PRO A 38 38.813 28.130 19.630 1.00 50.02 C ATOM 596 C PRO A 38 38.396 28.051 21.073 1.00 50.51 C ATOM 597 O PRO A 38 37.183 28.076 21.421 1.00 49.49 O ATOM 598 CB PRO A 38 39.016 26.783 18.945 1.00 49.82 C ATOM 599 CG PRO A 38 40.040 27.100 17.859 1.00 49.82 C ATOM 600 CD PRO A 38 41.037 27.982 18.639 1.00 50.00 C ATOM 0 HA PRO A 38 37.971 28.672 19.199 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.385 26.029 19.640 1.00 49.82 H new ATOM 0 HB3 PRO A 38 38.086 26.400 18.524 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.510 26.201 17.461 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.596 27.628 17.015 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.703 27.395 19.271 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.667 28.578 17.979 1.00 50.00 H new ATOM 608 N ASP A 39 39.335 27.957 21.983 1.00 49.53 N ATOM 609 CA ASP A 39 39.000 27.817 23.426 1.00 50.07 C ATOM 610 C ASP A 39 38.390 29.071 24.041 1.00 50.51 C ATOM 611 O ASP A 39 37.731 29.051 25.117 1.00 49.49 O ATOM 612 CB ASP A 39 40.245 27.411 24.219 1.00 49.72 C ATOM 613 CG ASP A 39 41.298 28.504 24.338 1.00 50.62 C ATOM 614 OD1 ASP A 39 40.974 29.644 24.106 1.00 49.24 O ATOM 615 OD2 ASP A 39 42.373 28.215 24.808 1.00 49.24 O ATOM 0 H ASP A 39 40.334 27.972 21.779 1.00 49.53 H new ATOM 0 HA ASP A 39 38.238 27.039 23.484 1.00 50.07 H new ATOM 0 HB2 ASP A 39 39.940 27.106 25.220 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.695 26.539 23.744 1.00 49.72 H new ATOM 620 N GLN A 40 38.496 30.187 23.338 1.00 49.53 N ATOM 621 CA GLN A 40 37.902 31.441 23.858 1.00 50.07 C ATOM 622 C GLN A 40 36.582 31.741 23.121 1.00 50.51 C ATOM 623 O GLN A 40 36.002 32.796 23.350 1.00 49.49 O ATOM 624 CB GLN A 40 38.874 32.612 23.686 1.00 49.82 C ATOM 625 CG GLN A 40 40.093 32.547 24.591 1.00 49.82 C ATOM 626 CD GLN A 40 41.065 33.683 24.334 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.828 34.540 23.478 1.00 49.45 O ATOM 628 NE2 GLN A 40 42.169 33.693 25.073 1.00 49.38 N ATOM 0 H GLN A 40 38.967 30.268 22.437 1.00 49.53 H new ATOM 0 HA GLN A 40 37.700 31.313 24.921 1.00 50.07 H new ATOM 0 HB2 GLN A 40 39.207 32.644 22.649 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.341 33.543 23.879 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.771 32.576 25.632 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.603 31.595 24.441 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.323 32.964 25.769 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.862 34.430 24.944 1.00 49.38 H new ATOM 637 N GLN A 41 36.121 30.830 22.292 1.00 49.53 N ATOM 638 CA GLN A 41 34.926 31.004 21.504 1.00 50.07 C ATOM 639 C GLN A 41 33.772 30.224 22.098 1.00 50.51 C ATOM 640 O GLN A 41 33.772 29.014 22.267 1.00 49.49 O ATOM 641 CB GLN A 41 35.170 30.550 20.040 1.00 49.82 C ATOM 642 CG GLN A 41 36.422 31.194 19.401 1.00 49.82 C ATOM 643 CD GLN A 41 36.590 30.710 17.987 1.00 50.55 C ATOM 644 OE1 GLN A 41 35.582 30.363 17.347 1.00 49.45 O ATOM 645 NE2 GLN A 41 37.788 30.644 17.452 1.00 49.38 N ATOM 0 H GLN A 41 36.578 29.930 22.146 1.00 49.53 H new ATOM 0 HA GLN A 41 34.670 32.064 21.509 1.00 50.07 H new ATOM 0 HB2 GLN A 41 35.275 29.465 20.016 1.00 49.82 H new ATOM 0 HB3 GLN A 41 34.295 30.799 19.439 1.00 49.82 H new ATOM 0 HG2 GLN A 41 36.328 32.280 19.413 1.00 49.82 H new ATOM 0 HG3 GLN A 41 37.307 30.945 19.986 1.00 49.82 H new ATOM 0 HE21 GLN A 41 38.604 30.933 17.991 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.902 30.304 16.497 1.00 49.38 H new ATOM 654 N ARG A 42 32.647 30.922 22.241 1.00 49.53 N ATOM 655 CA ARG A 42 31.367 30.261 22.648 1.00 50.07 C ATOM 656 C ARG A 42 30.297 30.470 21.600 1.00 50.51 C ATOM 657 O ARG A 42 30.059 31.695 21.249 1.00 49.49 O ATOM 658 CB ARG A 42 30.899 30.711 24.024 1.00 49.82 C ATOM 659 CG ARG A 42 29.584 30.101 24.483 1.00 49.82 C ATOM 660 CD ARG A 42 29.274 30.323 25.919 1.00 50.20 C ATOM 661 NE ARG A 42 28.886 31.685 26.249 1.00 49.30 N ATOM 662 CZ ARG A 42 28.902 32.206 27.491 1.00 50.64 C ATOM 663 NH1 ARG A 42 29.248 31.475 28.527 1.00 49.20 N ATOM 664 NH2 ARG A 42 28.537 33.467 27.643 1.00 49.20 N ATOM 0 H ARG A 42 32.575 31.928 22.089 1.00 49.53 H new ATOM 0 HA ARG A 42 31.563 29.191 22.722 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.671 30.465 24.753 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.798 31.796 24.021 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.775 30.515 23.881 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.608 29.028 24.290 1.00 49.82 H new ATOM 0 HD2 ARG A 42 28.470 29.648 26.212 1.00 50.20 H new ATOM 0 HD3 ARG A 42 30.148 30.054 26.512 1.00 50.20 H new ATOM 0 HE ARG A 42 28.580 32.289 25.486 1.00 49.30 H new ATOM 0 HH11 ARG A 42 29.510 30.498 28.397 1.00 49.20 H new ATOM 0 HH12 ARG A 42 29.255 31.885 29.461 1.00 49.20 H new ATOM 0 HH21 ARG A 42 28.254 34.017 26.832 1.00 49.20 H new ATOM 0 HH22 ARG A 42 28.539 33.890 28.571 1.00 49.20 H new ATOM 678 N LEU A 43 29.717 29.413 21.035 1.00 49.53 N ATOM 679 CA LEU A 43 28.702 29.577 19.964 1.00 50.07 C ATOM 680 C LEU A 43 27.319 29.229 20.504 1.00 50.51 C ATOM 681 O LEU A 43 27.169 28.167 21.122 1.00 49.49 O ATOM 682 CB LEU A 43 29.049 28.695 18.758 1.00 49.82 C ATOM 683 CG LEU A 43 30.393 29.007 18.085 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.768 27.886 17.125 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.299 30.336 17.352 1.00 49.73 C ATOM 0 H LEU A 43 29.919 28.445 21.286 1.00 49.53 H new ATOM 0 HA LEU A 43 28.699 30.616 19.635 1.00 50.07 H new ATOM 0 HB2 LEU A 43 29.055 27.654 19.080 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.257 28.795 18.015 1.00 49.82 H new ATOM 0 HG LEU A 43 31.171 29.081 18.844 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.723 28.116 16.652 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.852 26.949 17.675 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.998 27.790 16.360 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.254 30.557 16.875 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.519 30.279 16.593 1.00 49.73 H new ATOM 0 HD23 LEU A 43 30.057 31.127 18.062 1.00 49.73 H new ATOM 697 N ILE A 44 26.384 30.159 20.340 1.00 49.53 N ATOM 698 CA ILE A 44 25.022 30.011 20.843 1.00 50.07 C ATOM 699 C ILE A 44 24.088 29.857 19.647 1.00 50.51 C ATOM 700 O ILE A 44 24.198 30.535 18.646 1.00 49.49 O ATOM 701 CB ILE A 44 24.585 31.221 21.688 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.399 31.291 22.982 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.097 31.146 21.995 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.380 32.649 23.644 1.00 49.73 C ATOM 0 H ILE A 44 26.550 31.040 19.853 1.00 49.53 H new ATOM 0 HA ILE A 44 24.981 29.134 21.489 1.00 50.07 H new ATOM 0 HB ILE A 44 24.772 32.129 21.115 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.013 30.551 23.683 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.432 31.018 22.765 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.805 32.009 22.593 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.533 31.143 21.062 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.886 30.232 22.550 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.979 32.618 24.554 1.00 49.73 H new ATOM 0 HD12 ILE A 44 25.794 33.392 22.962 1.00 49.73 H new ATOM 0 HD13 ILE A 44 24.354 32.918 23.894 1.00 49.73 H new ATOM 716 N PHE A 45 23.113 28.924 19.810 1.00 49.53 N ATOM 717 CA PHE A 45 22.097 28.685 18.773 1.00 50.07 C ATOM 718 C PHE A 45 20.776 28.200 19.399 1.00 50.51 C ATOM 719 O PHE A 45 20.709 27.191 20.100 1.00 49.49 O ATOM 720 CB PHE A 45 22.603 27.664 17.752 1.00 49.82 C ATOM 721 CG PHE A 45 21.566 27.246 16.748 1.00 50.00 C ATOM 722 CD1 PHE A 45 21.259 28.061 15.667 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.897 26.039 16.881 1.00 49.88 C ATOM 724 CE1 PHE A 45 20.305 27.677 14.743 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.945 25.653 15.958 1.00 49.88 C ATOM 726 CZ PHE A 45 19.649 26.474 14.888 1.00 49.88 C ATOM 0 H PHE A 45 23.017 28.338 20.639 1.00 49.53 H new ATOM 0 HA PHE A 45 21.909 29.629 18.262 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.458 28.086 17.223 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.960 26.781 18.282 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.771 29.005 15.547 1.00 49.88 H new ATOM 0 HD2 PHE A 45 21.123 25.393 17.716 1.00 49.88 H new ATOM 0 HE1 PHE A 45 20.074 28.320 13.907 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.432 24.709 16.073 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.904 26.174 14.166 1.00 49.88 H new ATOM 736 N ALA A 46 19.774 29.001 19.125 1.00 49.53 N ATOM 737 CA ALA A 46 18.386 28.738 19.556 1.00 50.07 C ATOM 738 C ALA A 46 18.239 28.755 21.071 1.00 50.51 C ATOM 739 O ALA A 46 17.525 27.935 21.666 1.00 49.49 O ATOM 740 CB ALA A 46 17.912 27.433 19.003 1.00 49.73 C ATOM 0 H ALA A 46 19.881 29.865 18.594 1.00 49.53 H new ATOM 0 HA ALA A 46 17.766 29.544 19.163 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.888 27.251 19.328 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.947 27.465 17.914 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.555 26.630 19.363 1.00 49.73 H new ATOM 746 N GLY A 47 18.946 29.669 21.668 1.00 49.53 N ATOM 747 CA GLY A 47 19.040 29.945 23.071 1.00 49.98 C ATOM 748 C GLY A 47 19.857 28.971 23.879 1.00 50.51 C ATOM 749 O GLY A 47 19.974 29.138 25.114 1.00 49.49 O ATOM 0 H GLY A 47 19.532 30.305 21.127 1.00 49.53 H new ATOM 0 HA2 GLY A 47 19.466 30.940 23.198 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.032 29.975 23.484 1.00 49.98 H new ATOM 753 N LYS A 48 20.465 28.005 23.245 1.00 49.53 N ATOM 754 CA LYS A 48 21.327 27.031 23.929 1.00 50.07 C ATOM 755 C LYS A 48 22.818 27.104 23.551 1.00 50.51 C ATOM 756 O LYS A 48 23.111 27.411 22.405 1.00 49.49 O ATOM 757 CB LYS A 48 20.810 25.614 23.679 1.00 49.82 C ATOM 758 CG LYS A 48 21.444 24.548 24.564 1.00 49.82 C ATOM 759 CD LYS A 48 21.168 23.151 24.031 1.00 49.82 C ATOM 760 CE LYS A 48 21.846 22.089 24.884 1.00 50.21 C ATOM 761 NZ LYS A 48 21.556 20.713 24.394 1.00 49.70 N ATOM 0 H LYS A 48 20.388 27.856 22.239 1.00 49.53 H new ATOM 0 HA LYS A 48 21.274 27.293 24.986 1.00 50.07 H new ATOM 0 HB2 LYS A 48 19.731 25.602 23.832 1.00 49.82 H new ATOM 0 HB3 LYS A 48 20.987 25.355 22.635 1.00 49.82 H new ATOM 0 HG2 LYS A 48 22.520 24.712 24.620 1.00 49.82 H new ATOM 0 HG3 LYS A 48 21.055 24.636 25.578 1.00 49.82 H new ATOM 0 HD2 LYS A 48 20.093 22.973 24.012 1.00 49.82 H new ATOM 0 HD3 LYS A 48 21.522 23.075 23.003 1.00 49.82 H new ATOM 0 HE2 LYS A 48 22.923 22.255 24.882 1.00 50.21 H new ATOM 0 HE3 LYS A 48 21.511 22.185 25.917 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 22.036 20.019 25.002 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 20.530 20.544 24.420 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 21.899 20.613 23.417 1.00 49.70 H new ATOM 775 N GLN A 49 23.695 26.820 24.476 1.00 49.53 N ATOM 776 CA GLN A 49 25.145 26.756 24.139 1.00 50.07 C ATOM 777 C GLN A 49 25.381 25.515 23.282 1.00 50.51 C ATOM 778 O GLN A 49 24.523 24.594 23.309 1.00 49.49 O ATOM 779 CB GLN A 49 26.000 26.694 25.409 1.00 49.82 C ATOM 780 CG GLN A 49 26.151 28.025 26.123 1.00 49.82 C ATOM 781 CD GLN A 49 26.954 27.907 27.405 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.167 28.894 28.114 1.00 49.45 O ATOM 783 NE2 GLN A 49 27.408 26.696 27.708 1.00 49.38 N ATOM 0 H GLN A 49 23.469 26.629 25.452 1.00 49.53 H new ATOM 0 HA GLN A 49 25.434 27.654 23.592 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.557 25.974 26.097 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.990 26.319 25.149 1.00 49.82 H new ATOM 0 HG2 GLN A 49 26.638 28.738 25.457 1.00 49.82 H new ATOM 0 HG3 GLN A 49 25.163 28.425 26.352 1.00 49.82 H new ATOM 0 HE21 GLN A 49 27.208 25.908 27.093 1.00 49.38 H new ATOM 0 HE22 GLN A 49 27.957 26.555 28.556 1.00 49.38 H new ATOM 792 N LEU A 50 26.404 25.522 22.462 1.00 49.53 N ATOM 793 CA LEU A 50 26.673 24.417 21.528 1.00 50.07 C ATOM 794 C LEU A 50 27.701 23.466 22.118 1.00 50.51 C ATOM 795 O LEU A 50 28.705 23.950 22.602 1.00 49.49 O ATOM 796 CB LEU A 50 27.158 24.964 20.179 1.00 49.82 C ATOM 797 CG LEU A 50 26.076 25.623 19.315 1.00 49.91 C ATOM 798 CD1 LEU A 50 26.698 26.207 18.053 1.00 49.73 C ATOM 799 CD2 LEU A 50 25.009 24.596 18.964 1.00 49.73 C ATOM 0 H LEU A 50 27.081 26.284 22.411 1.00 49.53 H new ATOM 0 HA LEU A 50 25.747 23.866 21.364 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.947 25.693 20.363 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.605 24.147 19.613 1.00 49.82 H new ATOM 0 HG LEU A 50 25.611 26.435 19.873 1.00 49.91 H new ATOM 0 HD11 LEU A 50 25.921 26.673 17.446 1.00 49.73 H new ATOM 0 HD12 LEU A 50 27.442 26.955 18.327 1.00 49.73 H new ATOM 0 HD13 LEU A 50 27.177 25.412 17.482 1.00 49.73 H new ATOM 0 HD21 LEU A 50 24.240 25.065 18.350 1.00 49.73 H new ATOM 0 HD22 LEU A 50 25.463 23.774 18.411 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.558 24.212 19.879 1.00 49.73 H new ATOM 811 N GLU A 51 27.454 22.159 22.020 1.00 49.53 N ATOM 812 CA GLU A 51 28.381 21.172 22.614 1.00 50.07 C ATOM 813 C GLU A 51 29.321 20.577 21.604 1.00 50.51 C ATOM 814 O GLU A 51 28.862 20.092 20.572 1.00 49.49 O ATOM 815 CB GLU A 51 27.594 20.059 23.310 1.00 49.82 C ATOM 816 CG GLU A 51 26.540 20.553 24.291 1.00 49.72 C ATOM 817 CD GLU A 51 27.111 20.707 25.674 1.00 50.62 C ATOM 818 OE1 GLU A 51 28.239 20.326 25.876 1.00 49.24 O ATOM 819 OE2 GLU A 51 26.462 21.307 26.499 1.00 49.24 O ATOM 0 H GLU A 51 26.643 21.758 21.549 1.00 49.53 H new ATOM 0 HA GLU A 51 28.988 21.709 23.343 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.108 19.446 22.551 1.00 49.82 H new ATOM 0 HB3 GLU A 51 28.293 19.414 23.841 1.00 49.82 H new ATOM 0 HG2 GLU A 51 26.143 21.509 23.951 1.00 49.72 H new ATOM 0 HG3 GLU A 51 25.706 19.852 24.316 1.00 49.72 H new ATOM 826 N ASP A 52 30.611 20.581 21.835 1.00 49.53 N ATOM 827 CA ASP A 52 31.651 20.122 20.919 1.00 50.07 C ATOM 828 C ASP A 52 31.370 18.797 20.233 1.00 50.51 C ATOM 829 O ASP A 52 31.466 18.738 18.974 1.00 49.49 O ATOM 830 CB ASP A 52 32.990 20.037 21.656 1.00 49.72 C ATOM 831 CG ASP A 52 33.621 21.387 21.973 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.045 22.388 21.616 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.584 21.413 22.700 1.00 49.24 O ATOM 0 H ASP A 52 30.995 20.923 22.716 1.00 49.53 H new ATOM 0 HA ASP A 52 31.679 20.866 20.123 1.00 50.07 H new ATOM 0 HB2 ASP A 52 32.844 19.490 22.588 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.687 19.457 21.052 1.00 49.72 H new ATOM 838 N GLY A 53 31.156 17.746 20.992 1.00 49.53 N ATOM 839 CA GLY A 53 30.928 16.381 20.481 1.00 49.98 C ATOM 840 C GLY A 53 29.834 16.289 19.471 1.00 50.51 C ATOM 841 O GLY A 53 29.844 15.394 18.596 1.00 49.49 O ATOM 0 H GLY A 53 31.132 17.801 22.010 1.00 49.53 H new ATOM 0 HA2 GLY A 53 31.852 16.011 20.036 1.00 49.98 H new ATOM 0 HA3 GLY A 53 30.692 15.725 21.319 1.00 49.98 H new ATOM 845 N ARG A 54 28.853 17.184 19.495 1.00 49.53 N ATOM 846 CA ARG A 54 27.778 17.203 18.482 1.00 50.07 C ATOM 847 C ARG A 54 28.192 17.947 17.222 1.00 50.51 C ATOM 848 O ARG A 54 29.098 18.808 17.261 1.00 49.49 O ATOM 849 CB ARG A 54 26.474 17.751 19.045 1.00 49.82 C ATOM 850 CG ARG A 54 25.874 16.936 20.180 1.00 49.82 C ATOM 851 CD ARG A 54 24.971 15.843 19.737 1.00 50.20 C ATOM 852 NE ARG A 54 24.419 15.043 20.819 1.00 49.30 N ATOM 853 CZ ARG A 54 23.561 14.018 20.651 1.00 50.64 C ATOM 854 NH1 ARG A 54 23.125 13.688 19.456 1.00 49.20 N ATOM 855 NH2 ARG A 54 23.149 13.367 21.725 1.00 49.20 N ATOM 0 H ARG A 54 28.771 17.913 20.204 1.00 49.53 H new ATOM 0 HA ARG A 54 27.600 16.165 18.200 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.647 18.767 19.399 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.745 17.814 18.237 1.00 49.82 H new ATOM 0 HG2 ARG A 54 26.683 16.506 20.770 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.320 17.605 20.838 1.00 49.82 H new ATOM 0 HD2 ARG A 54 24.150 16.276 19.166 1.00 50.20 H new ATOM 0 HD3 ARG A 54 25.519 15.188 19.060 1.00 50.20 H new ATOM 0 HE ARG A 54 24.701 15.274 21.772 1.00 49.30 H new ATOM 0 HH11 ARG A 54 23.436 14.211 18.637 1.00 49.20 H new ATOM 0 HH12 ARG A 54 22.476 12.909 19.347 1.00 49.20 H new ATOM 0 HH21 ARG A 54 23.481 13.645 22.649 1.00 49.20 H new ATOM 0 HH22 ARG A 54 22.499 12.586 21.630 1.00 49.20 H new ATOM 869 N THR A 55 27.493 17.705 16.142 1.00 49.53 N ATOM 870 CA THR A 55 27.712 18.382 14.843 1.00 50.07 C ATOM 871 C THR A 55 26.614 19.444 14.602 1.00 50.51 C ATOM 872 O THR A 55 25.652 19.524 15.358 1.00 49.49 O ATOM 873 CB THR A 55 27.717 17.381 13.673 1.00 50.14 C ATOM 874 OG1 THR A 55 26.430 16.756 13.570 1.00 49.34 O ATOM 875 CG2 THR A 55 28.778 16.312 13.890 1.00 49.73 C ATOM 0 H THR A 55 26.736 17.022 16.117 1.00 49.53 H new ATOM 0 HA THR A 55 28.689 18.863 14.887 1.00 50.07 H new ATOM 0 HB THR A 55 27.942 17.921 12.753 1.00 50.14 H new ATOM 0 HG1 THR A 55 26.304 16.142 14.323 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.767 15.613 13.053 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.759 16.782 13.958 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.569 15.774 14.815 1.00 49.73 H new ATOM 883 N LEU A 56 26.792 20.214 13.547 1.00 49.53 N ATOM 884 CA LEU A 56 25.809 21.234 13.141 1.00 50.07 C ATOM 885 C LEU A 56 24.396 20.739 12.849 1.00 50.51 C ATOM 886 O LEU A 56 23.468 21.416 13.201 1.00 49.49 O ATOM 887 CB LEU A 56 26.342 21.996 11.922 1.00 49.82 C ATOM 888 CG LEU A 56 27.654 22.757 12.149 1.00 49.91 C ATOM 889 CD1 LEU A 56 28.266 23.153 10.812 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.387 23.987 13.005 1.00 49.73 C ATOM 0 H LEU A 56 27.612 20.162 12.942 1.00 49.53 H new ATOM 0 HA LEU A 56 25.700 21.874 14.017 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.488 21.288 11.106 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.581 22.705 11.596 1.00 49.82 H new ATOM 0 HG LEU A 56 28.362 22.113 12.671 1.00 49.91 H new ATOM 0 HD11 LEU A 56 29.197 23.693 10.984 1.00 49.73 H new ATOM 0 HD12 LEU A 56 28.469 22.257 10.225 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.571 23.793 10.269 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.320 24.528 13.166 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.674 24.636 12.497 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.975 23.679 13.966 1.00 49.73 H new ATOM 902 N SER A 57 24.270 19.507 12.315 1.00 49.53 N ATOM 903 CA SER A 57 22.897 19.029 12.019 1.00 50.07 C ATOM 904 C SER A 57 22.271 18.378 13.234 1.00 50.51 C ATOM 905 O SER A 57 21.062 18.000 13.207 1.00 49.49 O ATOM 906 CB SER A 57 22.920 18.060 10.854 1.00 50.05 C ATOM 907 OG SER A 57 23.791 16.986 11.080 1.00 49.34 O ATOM 0 H SER A 57 25.032 18.866 12.093 1.00 49.53 H new ATOM 0 HA SER A 57 22.288 19.892 11.749 1.00 50.07 H new ATOM 0 HB2 SER A 57 21.914 17.680 10.679 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.223 18.588 9.950 1.00 50.05 H new ATOM 0 HG SER A 57 24.635 17.145 10.609 1.00 49.34 H new ATOM 913 N ASP A 58 23.041 18.227 14.297 1.00 49.53 N ATOM 914 CA ASP A 58 22.527 17.603 15.546 1.00 50.07 C ATOM 915 C ASP A 58 21.727 18.667 16.307 1.00 50.51 C ATOM 916 O ASP A 58 21.317 18.489 17.457 1.00 49.49 O ATOM 917 CB ASP A 58 23.675 17.071 16.406 1.00 49.72 C ATOM 918 CG ASP A 58 24.432 15.902 15.791 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.826 15.132 15.084 1.00 49.24 O ATOM 920 OD2 ASP A 58 25.635 15.874 15.902 1.00 49.24 O ATOM 0 H ASP A 58 24.018 18.518 14.341 1.00 49.53 H new ATOM 0 HA ASP A 58 21.890 16.753 15.303 1.00 50.07 H new ATOM 0 HB2 ASP A 58 24.377 17.883 16.596 1.00 49.72 H new ATOM 0 HB3 ASP A 58 23.276 16.762 17.372 1.00 49.72 H new ATOM 925 N TYR A 59 21.683 19.836 15.737 1.00 49.53 N ATOM 926 CA TYR A 59 20.965 20.988 16.282 1.00 50.07 C ATOM 927 C TYR A 59 19.971 21.519 15.274 1.00 50.51 C ATOM 928 O TYR A 59 19.440 22.623 15.508 1.00 49.49 O ATOM 929 CB TYR A 59 21.946 22.090 16.687 1.00 49.82 C ATOM 930 CG TYR A 59 22.681 21.810 17.980 1.00 50.00 C ATOM 931 CD1 TYR A 59 23.833 21.038 17.991 1.00 49.88 C ATOM 932 CD2 TYR A 59 22.221 22.322 19.184 1.00 49.88 C ATOM 933 CE1 TYR A 59 24.509 20.780 19.169 1.00 49.88 C ATOM 934 CE2 TYR A 59 22.888 22.071 20.367 1.00 49.88 C ATOM 935 CZ TYR A 59 24.032 21.298 20.356 1.00 50.11 C ATOM 936 OH TYR A 59 24.701 21.046 21.531 1.00 49.46 O ATOM 0 H TYR A 59 22.154 20.036 14.855 1.00 49.53 H new ATOM 0 HA TYR A 59 20.421 20.663 17.169 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.675 22.226 15.888 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.402 23.029 16.786 1.00 49.82 H new ATOM 0 HD1 TYR A 59 24.208 20.631 17.064 1.00 49.88 H new ATOM 0 HD2 TYR A 59 21.326 22.927 19.197 1.00 49.88 H new ATOM 0 HE1 TYR A 59 25.405 20.177 19.160 1.00 49.88 H new ATOM 0 HE2 TYR A 59 22.517 22.477 21.296 1.00 49.88 H new ATOM 0 HH TYR A 59 24.235 21.484 22.273 1.00 49.46 H new ATOM 946 N ASN A 60 19.660 20.840 14.190 1.00 49.53 N ATOM 947 CA ASN A 60 18.682 21.396 13.233 1.00 50.07 C ATOM 948 C ASN A 60 19.093 22.782 12.753 1.00 50.51 C ATOM 949 O ASN A 60 18.248 23.599 12.335 1.00 49.49 O ATOM 950 CB ASN A 60 17.288 21.443 13.831 1.00 49.82 C ATOM 951 CG ASN A 60 16.863 20.153 14.477 1.00 50.55 C ATOM 952 OD1 ASN A 60 16.640 20.088 15.692 1.00 49.45 O ATOM 953 ND2 ASN A 60 16.831 19.110 13.687 1.00 49.38 N ATOM 0 H ASN A 60 20.047 19.930 13.940 1.00 49.53 H new ATOM 0 HA ASN A 60 18.666 20.728 12.372 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.247 22.241 14.572 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.575 21.699 13.048 1.00 49.82 H new ATOM 0 HD21 ASN A 60 16.614 18.189 14.067 1.00 49.38 H new ATOM 0 HD22 ASN A 60 17.023 19.218 12.691 1.00 49.38 H new ATOM 960 N ILE A 61 20.383 23.047 12.729 1.00 49.53 N ATOM 961 CA ILE A 61 20.903 24.341 12.190 1.00 50.07 C ATOM 962 C ILE A 61 20.730 24.348 10.674 1.00 50.51 C ATOM 963 O ILE A 61 21.559 23.636 10.034 1.00 49.49 O ATOM 964 CB ILE A 61 22.385 24.554 12.541 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.568 24.643 14.058 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.917 25.809 11.865 1.00 49.73 C ATOM 967 CD1 ILE A 61 24.003 24.835 14.491 1.00 49.73 C ATOM 0 H ILE A 61 21.104 22.409 13.066 1.00 49.53 H new ATOM 0 HA ILE A 61 20.338 25.154 12.646 1.00 50.07 H new ATOM 0 HB ILE A 61 22.953 23.699 12.175 1.00 49.91 H new ATOM 0 HG12 ILE A 61 21.970 25.471 14.438 1.00 49.82 H new ATOM 0 HG13 ILE A 61 22.179 23.733 14.515 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.967 25.945 12.124 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.820 25.709 10.784 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.346 26.674 12.202 1.00 49.73 H new ATOM 0 HD11 ILE A 61 24.051 24.889 15.579 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.604 23.995 14.142 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.391 25.760 14.065 1.00 49.73 H new ATOM 979 N GLN A 62 19.754 25.040 10.159 1.00 49.53 N ATOM 980 CA GLN A 62 19.443 25.069 8.700 1.00 50.07 C ATOM 981 C GLN A 62 20.015 26.308 8.005 1.00 50.51 C ATOM 982 O GLN A 62 20.423 27.264 8.687 1.00 49.49 O ATOM 983 CB GLN A 62 17.929 25.013 8.478 1.00 49.82 C ATOM 984 CG GLN A 62 17.177 26.219 9.012 1.00 49.82 C ATOM 985 CD GLN A 62 15.685 25.968 9.125 1.00 50.55 C ATOM 986 OE1 GLN A 62 15.221 25.319 10.067 1.00 49.45 O ATOM 987 NE2 GLN A 62 14.925 26.477 8.162 1.00 49.38 N ATOM 0 H GLN A 62 19.127 25.617 10.720 1.00 49.53 H new ATOM 0 HA GLN A 62 19.917 24.192 8.259 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.733 24.920 7.410 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.536 24.114 8.953 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.573 26.486 9.992 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.350 27.072 8.355 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.352 27.007 7.402 1.00 49.38 H new ATOM 0 HE22 GLN A 62 13.915 26.338 8.182 1.00 49.38 H new ATOM 996 N LYS A 63 20.079 26.297 6.675 1.00 49.53 N ATOM 997 CA LYS A 63 20.658 27.380 5.912 1.00 50.07 C ATOM 998 C LYS A 63 20.153 28.784 6.231 1.00 50.51 C ATOM 999 O LYS A 63 18.979 29.039 6.445 1.00 49.49 O ATOM 1000 CB LYS A 63 20.475 27.111 4.417 1.00 49.82 C ATOM 1001 CG LYS A 63 19.031 27.174 3.939 1.00 49.82 C ATOM 1002 CD LYS A 63 18.949 27.147 2.420 1.00 49.82 C ATOM 1003 CE LYS A 63 17.507 27.239 1.942 1.00 50.21 C ATOM 1004 NZ LYS A 63 17.402 27.099 0.463 1.00 49.70 N ATOM 0 H LYS A 63 19.727 25.530 6.102 1.00 49.53 H new ATOM 0 HA LYS A 63 21.707 27.386 6.208 1.00 50.07 H new ATOM 0 HB2 LYS A 63 21.063 27.837 3.855 1.00 49.82 H new ATOM 0 HB3 LYS A 63 20.879 26.125 4.185 1.00 49.82 H new ATOM 0 HG2 LYS A 63 18.473 26.333 4.350 1.00 49.82 H new ATOM 0 HG3 LYS A 63 18.561 28.083 4.314 1.00 49.82 H new ATOM 0 HD2 LYS A 63 19.524 27.976 2.008 1.00 49.82 H new ATOM 0 HD3 LYS A 63 19.400 26.228 2.046 1.00 49.82 H new ATOM 0 HE2 LYS A 63 16.915 26.461 2.423 1.00 50.21 H new ATOM 0 HE3 LYS A 63 17.084 28.196 2.247 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 16.404 27.167 0.178 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 17.946 27.857 0.003 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 17.782 26.175 0.174 1.00 49.70 H new ATOM 1018 N GLU A 64 21.147 29.680 6.315 1.00 49.53 N ATOM 1019 CA GLU A 64 20.980 31.083 6.592 1.00 50.07 C ATOM 1020 C GLU A 64 20.625 31.310 8.032 1.00 50.51 C ATOM 1021 O GLU A 64 19.909 32.273 8.401 1.00 49.49 O ATOM 1022 CB GLU A 64 19.906 31.686 5.684 1.00 49.82 C ATOM 1023 CG GLU A 64 20.201 31.564 4.195 1.00 49.72 C ATOM 1024 CD GLU A 64 21.419 32.358 3.813 1.00 50.62 C ATOM 1025 OE1 GLU A 64 21.447 33.535 4.085 1.00 49.24 O ATOM 1026 OE2 GLU A 64 22.367 31.769 3.352 1.00 49.24 O ATOM 0 H GLU A 64 22.124 29.419 6.184 1.00 49.53 H new ATOM 0 HA GLU A 64 21.930 31.579 6.391 1.00 50.07 H new ATOM 0 HB2 GLU A 64 18.954 31.199 5.895 1.00 49.82 H new ATOM 0 HB3 GLU A 64 19.787 32.740 5.933 1.00 49.82 H new ATOM 0 HG2 GLU A 64 20.352 30.516 3.937 1.00 49.72 H new ATOM 0 HG3 GLU A 64 19.342 31.913 3.622 1.00 49.72 H new ATOM 1033 N SER A 65 21.243 30.511 8.888 1.00 49.53 N ATOM 1034 CA SER A 65 21.123 30.637 10.346 1.00 50.07 C ATOM 1035 C SER A 65 22.031 31.809 10.789 1.00 50.51 C ATOM 1036 O SER A 65 22.955 32.181 10.073 1.00 49.49 O ATOM 1037 CB SER A 65 21.526 29.346 11.031 1.00 50.05 C ATOM 1038 OG SER A 65 22.817 28.938 10.667 1.00 49.34 O ATOM 0 H SER A 65 21.850 29.746 8.594 1.00 49.53 H new ATOM 0 HA SER A 65 20.089 30.836 10.628 1.00 50.07 H new ATOM 0 HB2 SER A 65 21.479 29.479 12.112 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.813 28.562 10.776 1.00 50.05 H new ATOM 0 HG SER A 65 23.284 28.588 11.455 1.00 49.34 H new ATOM 1044 N THR A 66 21.735 32.392 11.920 1.00 49.53 N ATOM 1045 CA THR A 66 22.560 33.456 12.504 1.00 50.07 C ATOM 1046 C THR A 66 22.928 32.887 13.874 1.00 50.51 C ATOM 1047 O THR A 66 22.000 32.597 14.663 1.00 49.49 O ATOM 1048 CB THR A 66 21.795 34.783 12.659 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.486 35.314 11.364 1.00 49.34 O ATOM 1050 CG2 THR A 66 22.630 35.794 13.431 1.00 49.73 C ATOM 0 H THR A 66 20.915 32.153 12.477 1.00 49.53 H new ATOM 0 HA THR A 66 23.417 33.702 11.877 1.00 50.07 H new ATOM 0 HB THR A 66 20.874 34.591 13.210 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.998 36.158 11.464 1.00 49.34 H new ATOM 0 HG21 THR A 66 22.073 36.726 13.531 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.856 35.399 14.421 1.00 49.73 H new ATOM 0 HG23 THR A 66 23.560 35.983 12.895 1.00 49.73 H new ATOM 1058 N LEU A 67 24.222 32.678 14.133 1.00 49.53 N ATOM 1059 CA LEU A 67 24.650 32.236 15.465 1.00 50.07 C ATOM 1060 C LEU A 67 25.163 33.400 16.338 1.00 50.51 C ATOM 1061 O LEU A 67 25.296 34.479 15.738 1.00 49.49 O ATOM 1062 CB LEU A 67 25.730 31.155 15.338 1.00 49.82 C ATOM 1063 CG LEU A 67 25.208 29.735 15.085 1.00 49.91 C ATOM 1064 CD1 LEU A 67 24.822 29.575 13.621 1.00 49.73 C ATOM 1065 CD2 LEU A 67 26.274 28.723 15.476 1.00 49.73 C ATOM 0 H LEU A 67 24.976 32.804 13.457 1.00 49.53 H new ATOM 0 HA LEU A 67 23.774 31.823 15.965 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.401 31.428 14.524 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.324 31.149 16.252 1.00 49.82 H new ATOM 0 HG LEU A 67 24.320 29.560 15.693 1.00 49.91 H new ATOM 0 HD11 LEU A 67 24.453 28.564 13.451 1.00 49.73 H new ATOM 0 HD12 LEU A 67 24.042 30.294 13.370 1.00 49.73 H new ATOM 0 HD13 LEU A 67 25.695 29.753 12.993 1.00 49.73 H new ATOM 0 HD21 LEU A 67 25.902 27.714 15.296 1.00 49.73 H new ATOM 0 HD22 LEU A 67 27.171 28.891 14.880 1.00 49.73 H new ATOM 0 HD23 LEU A 67 26.514 28.838 16.533 1.00 49.73 H new ATOM 1077 N HIS A 68 25.381 33.168 17.583 1.00 49.53 N ATOM 1078 CA HIS A 68 25.919 34.249 18.443 1.00 50.07 C ATOM 1079 C HIS A 68 27.356 33.901 18.827 1.00 50.51 C ATOM 1080 O HIS A 68 27.624 32.813 19.379 1.00 49.49 O ATOM 1081 CB HIS A 68 25.060 34.436 19.697 1.00 49.92 C ATOM 1082 CG HIS A 68 23.666 34.900 19.407 1.00 50.22 C ATOM 1083 ND1 HIS A 68 22.607 34.645 20.254 1.00 49.30 N ATOM 1084 CD2 HIS A 68 23.157 35.600 18.367 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.506 35.171 19.745 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.813 35.756 18.602 1.00 49.64 N ATOM 0 H HIS A 68 25.212 32.278 18.052 1.00 49.53 H new ATOM 0 HA HIS A 68 25.900 35.189 17.891 1.00 50.07 H new ATOM 0 HB2 HIS A 68 25.014 33.492 20.239 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.545 35.158 20.354 1.00 49.92 H new ATOM 0 HD2 HIS A 68 23.705 35.967 17.512 1.00 49.95 H new ATOM 0 HE1 HIS A 68 20.522 35.129 20.189 1.00 50.25 H new ATOM 0 HE2 HIS A 68 21.158 36.245 17.992 1.00 49.64 H new ATOM 1094 N LEU A 69 28.273 34.826 18.597 1.00 49.53 N ATOM 1095 CA LEU A 69 29.668 34.649 18.985 1.00 50.07 C ATOM 1096 C LEU A 69 30.039 35.414 20.219 1.00 50.51 C ATOM 1097 O LEU A 69 30.175 36.685 20.113 1.00 49.49 O ATOM 1098 CB LEU A 69 30.589 35.048 17.824 1.00 49.82 C ATOM 1099 CG LEU A 69 32.081 35.120 18.169 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.588 33.747 18.587 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.857 35.640 16.967 1.00 49.73 C ATOM 0 H LEU A 69 28.076 35.716 18.139 1.00 49.53 H new ATOM 0 HA LEU A 69 29.797 33.593 19.221 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.454 34.333 17.012 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.272 36.021 17.448 1.00 49.82 H new ATOM 0 HG LEU A 69 32.228 35.805 19.004 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.649 33.809 18.830 1.00 49.73 H new ATOM 0 HD12 LEU A 69 32.035 33.406 19.462 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.444 33.041 17.769 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.918 35.691 17.213 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.712 34.967 16.122 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.497 36.635 16.704 1.00 49.73 H new ATOM 1113 N VAL A 70 30.131 34.795 21.350 1.00 49.53 N ATOM 1114 CA VAL A 70 30.602 35.493 22.582 1.00 50.07 C ATOM 1115 C VAL A 70 32.100 35.270 22.837 1.00 50.51 C ATOM 1116 O VAL A 70 32.586 34.130 22.656 1.00 49.49 O ATOM 1117 CB VAL A 70 29.811 35.038 23.822 1.00 49.91 C ATOM 1118 CG1 VAL A 70 30.348 35.713 25.074 1.00 49.73 C ATOM 1119 CG2 VAL A 70 28.330 35.339 23.650 1.00 49.73 C ATOM 0 H VAL A 70 29.896 33.812 21.484 1.00 49.53 H new ATOM 0 HA VAL A 70 30.431 36.556 22.411 1.00 50.07 H new ATOM 0 HB VAL A 70 29.934 33.960 23.931 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.777 35.380 25.941 1.00 49.73 H new ATOM 0 HG12 VAL A 70 31.397 35.450 25.208 1.00 49.73 H new ATOM 0 HG13 VAL A 70 30.255 36.794 24.973 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.787 35.011 24.536 1.00 49.73 H new ATOM 0 HG22 VAL A 70 28.190 36.412 23.515 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.951 34.811 22.775 1.00 49.73 H new ATOM 1129 N LEU A 71 32.813 36.307 23.211 1.00 49.53 N ATOM 1130 CA LEU A 71 34.255 36.174 23.512 1.00 50.07 C ATOM 1131 C LEU A 71 34.440 35.999 24.996 1.00 50.51 C ATOM 1132 O LEU A 71 34.153 36.913 25.794 1.00 49.49 O ATOM 1133 CB LEU A 71 35.025 37.402 23.010 1.00 49.82 C ATOM 1134 CG LEU A 71 36.493 37.476 23.447 1.00 49.91 C ATOM 1135 CD1 LEU A 71 37.286 36.342 22.810 1.00 49.73 C ATOM 1136 CD2 LEU A 71 37.074 38.826 23.054 1.00 49.73 C ATOM 0 H LEU A 71 32.441 37.250 23.319 1.00 49.53 H new ATOM 0 HA LEU A 71 34.651 35.298 22.998 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.986 37.415 21.921 1.00 49.82 H new ATOM 0 HB3 LEU A 71 34.513 38.299 23.358 1.00 49.82 H new ATOM 0 HG LEU A 71 36.555 37.369 24.530 1.00 49.91 H new ATOM 0 HD11 LEU A 71 38.327 36.403 23.127 1.00 49.73 H new ATOM 0 HD12 LEU A 71 36.868 35.385 23.122 1.00 49.73 H new ATOM 0 HD13 LEU A 71 37.231 36.425 21.725 1.00 49.73 H new ATOM 0 HD21 LEU A 71 38.117 38.878 23.365 1.00 49.73 H new ATOM 0 HD22 LEU A 71 37.011 38.948 21.973 1.00 49.73 H new ATOM 0 HD23 LEU A 71 36.510 39.621 23.542 1.00 49.73 H new ATOM 1148 N ARG A 72 34.931 34.887 25.402 1.00 49.53 N ATOM 1149 CA ARG A 72 35.225 34.594 26.820 1.00 50.07 C ATOM 1150 C ARG A 72 36.715 34.538 27.151 1.00 50.51 C ATOM 1151 O ARG A 72 37.293 33.500 26.696 1.00 49.49 O ATOM 1152 CB ARG A 72 34.518 33.331 27.290 1.00 49.82 C ATOM 1153 CG ARG A 72 33.021 33.480 27.508 1.00 49.82 C ATOM 1154 CD ARG A 72 32.649 34.481 28.541 1.00 50.20 C ATOM 1155 NE ARG A 72 33.182 34.207 29.866 1.00 49.30 N ATOM 1156 CZ ARG A 72 32.630 33.356 30.752 1.00 50.64 C ATOM 1157 NH1 ARG A 72 31.511 32.724 30.477 1.00 49.20 N ATOM 1158 NH2 ARG A 72 33.231 33.192 31.917 1.00 49.20 N ATOM 0 H ARG A 72 35.157 34.117 24.772 1.00 49.53 H new ATOM 0 HA ARG A 72 34.828 35.445 27.373 1.00 50.07 H new ATOM 0 HB2 ARG A 72 34.687 32.543 26.556 1.00 49.82 H new ATOM 0 HB3 ARG A 72 34.975 33.002 28.223 1.00 49.82 H new ATOM 0 HG2 ARG A 72 32.554 33.760 26.563 1.00 49.82 H new ATOM 0 HG3 ARG A 72 32.609 32.512 27.792 1.00 49.82 H new ATOM 0 HD2 ARG A 72 32.997 35.463 28.219 1.00 50.20 H new ATOM 0 HD3 ARG A 72 31.562 34.533 28.604 1.00 50.20 H new ATOM 0 HE ARG A 72 34.034 34.694 30.144 1.00 49.30 H new ATOM 0 HH11 ARG A 72 31.047 32.875 29.581 1.00 49.20 H new ATOM 0 HH12 ARG A 72 31.106 32.083 31.159 1.00 49.20 H new ATOM 0 HH21 ARG A 72 34.089 33.703 32.125 1.00 49.20 H new ATOM 0 HH22 ARG A 72 32.837 32.554 32.609 1.00 49.20 H new ATOM 1172 N LEU A 73 37.276 35.476 27.840 1.00 49.53 N ATOM 1173 CA LEU A 73 38.728 35.411 28.139 1.00 50.07 C ATOM 1174 C LEU A 73 39.082 34.645 29.406 1.00 50.51 C ATOM 1175 O LEU A 73 38.213 34.343 30.237 1.00 49.49 O ATOM 1176 CB LEU A 73 39.303 36.831 28.215 1.00 49.82 C ATOM 1177 CG LEU A 73 39.190 37.652 26.925 1.00 49.91 C ATOM 1178 CD1 LEU A 73 39.709 39.064 27.158 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.975 36.966 25.816 1.00 49.73 C ATOM 0 H LEU A 73 36.792 36.292 28.214 1.00 49.53 H new ATOM 0 HA LEU A 73 39.175 34.849 27.319 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.794 37.369 29.015 1.00 49.82 H new ATOM 0 HB3 LEU A 73 40.355 36.765 28.494 1.00 49.82 H new ATOM 0 HG LEU A 73 38.144 37.718 26.626 1.00 49.91 H new ATOM 0 HD11 LEU A 73 39.625 39.639 26.236 1.00 49.73 H new ATOM 0 HD12 LEU A 73 39.120 39.544 27.940 1.00 49.73 H new ATOM 0 HD13 LEU A 73 40.754 39.022 27.465 1.00 49.73 H new ATOM 0 HD21 LEU A 73 39.895 37.550 24.899 1.00 49.73 H new ATOM 0 HD22 LEU A 73 41.023 36.888 26.106 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.570 35.968 25.648 1.00 49.73 H new ATOM 1191 N ARG A 74 40.364 34.329 29.497 1.00 49.53 N ATOM 1192 CA ARG A 74 40.909 33.580 30.641 1.00 50.07 C ATOM 1193 C ARG A 74 41.886 34.483 31.389 1.00 50.51 C ATOM 1194 O ARG A 74 43.077 34.151 31.530 1.00 49.49 O ATOM 1195 CB ARG A 74 41.549 32.263 30.227 1.00 49.82 C ATOM 1196 CG ARG A 74 40.654 31.347 29.408 1.00 49.82 C ATOM 1197 CD ARG A 74 39.544 30.727 30.176 1.00 50.20 C ATOM 1198 NE ARG A 74 38.726 29.801 29.411 1.00 49.30 N ATOM 1199 CZ ARG A 74 37.635 29.171 29.889 1.00 50.64 C ATOM 1200 NH1 ARG A 74 37.250 29.331 31.136 1.00 49.20 N ATOM 1201 NH2 ARG A 74 36.974 28.365 29.075 1.00 49.20 N ATOM 0 H ARG A 74 41.058 34.577 28.792 1.00 49.53 H new ATOM 0 HA ARG A 74 40.090 33.301 31.304 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.449 32.478 29.651 1.00 49.82 H new ATOM 0 HB3 ARG A 74 41.865 31.731 31.124 1.00 49.82 H new ATOM 0 HG2 ARG A 74 40.233 31.916 28.580 1.00 49.82 H new ATOM 0 HG3 ARG A 74 41.265 30.556 28.973 1.00 49.82 H new ATOM 0 HD2 ARG A 74 39.962 30.200 31.033 1.00 50.20 H new ATOM 0 HD3 ARG A 74 38.905 31.518 30.569 1.00 50.20 H new ATOM 0 HE ARG A 74 38.996 29.615 28.445 1.00 49.30 H new ATOM 0 HH11 ARG A 74 37.780 29.940 31.759 1.00 49.20 H new ATOM 0 HH12 ARG A 74 36.421 28.846 31.480 1.00 49.20 H new ATOM 0 HH21 ARG A 74 37.294 28.235 28.115 1.00 49.20 H new ATOM 0 HH22 ARG A 74 36.144 27.874 29.407 1.00 49.20 H new ATOM 1215 N GLY A 75 41.346 35.587 31.891 1.00 49.53 N ATOM 1216 CA GLY A 75 42.105 36.572 32.649 1.00 49.98 C ATOM 1217 C GLY A 75 41.336 37.876 32.590 1.00 50.51 C ATOM 1218 O GLY A 75 40.855 38.314 31.531 1.00 49.49 O ATOM 0 H GLY A 75 40.360 35.825 31.782 1.00 49.53 H new ATOM 0 HA2 GLY A 75 42.232 36.247 33.682 1.00 49.98 H new ATOM 0 HA3 GLY A 75 43.103 36.695 32.228 1.00 49.98 H new ATOM 1222 N GLY A 76 41.311 38.531 33.736 1.00 49.53 N ATOM 1223 CA GLY A 76 40.649 39.827 33.946 1.00 49.98 C ATOM 1224 C GLY A 76 40.345 39.998 35.443 1.00 50.51 C ATOM 1225 O GLY A 76 39.255 40.531 35.729 1.00 49.49 O ATOM 0 H GLY A 76 41.762 38.174 34.579 1.00 49.53 H new ATOM 0 HA2 GLY A 76 41.289 40.637 33.597 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.727 39.877 33.367 1.00 49.98 H new