USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 578 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 46 ASN : amide:sc= -0.584 K(o=-0.58,f=-6.9!) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 150:sc= -1.28 USER MOD Single : A 19 GLN : amide:sc= -0.0437 X(o=-0.044,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 22 GLN : amide:sc= -0.0487 K(o=-0.049,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 158:sc= -0.0566 (180deg=-0.729) USER MOD Single : A 49 ASN : amide:sc= -2.5! C(o=-2.5!,f=-2.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0945 X(o=-0.095,f=-0.05) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -120:sc= -0.777 (180deg=-3.79!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 63:sc= 0.826 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.986 -15.816 18.805 1.00 31.44 N ATOM 2 CA GLY A 1 12.080 -15.785 19.939 1.00 3.54 C ATOM 3 C GLY A 1 10.627 -15.705 19.518 1.00 62.25 C ATOM 4 O GLY A 1 9.921 -16.713 19.502 1.00 74.41 O ATOM 0 H1 GLY A 1 13.967 -15.871 19.146 1.00 31.44 H new ATOM 0 H2 GLY A 1 12.777 -16.648 18.216 1.00 31.44 H new ATOM 0 H3 GLY A 1 12.864 -14.952 18.239 1.00 31.44 H new ATOM 0 HA2 GLY A 1 12.231 -16.678 20.545 1.00 3.54 H new ATOM 0 HA3 GLY A 1 12.320 -14.928 20.569 1.00 3.54 H new ATOM 8 N SER A 2 10.177 -14.501 19.176 1.00 42.51 N ATOM 9 CA SER A 2 8.796 -14.291 18.757 1.00 11.14 C ATOM 10 C SER A 2 8.691 -14.239 17.237 1.00 22.52 C ATOM 11 O SER A 2 9.016 -13.227 16.614 1.00 61.50 O ATOM 12 CB SER A 2 8.248 -12.998 19.363 1.00 53.30 C ATOM 13 OG SER A 2 7.825 -13.200 20.701 1.00 4.33 O ATOM 0 H SER A 2 10.749 -13.657 19.181 1.00 42.51 H new ATOM 0 HA SER A 2 8.202 -15.132 19.115 1.00 11.14 H new ATOM 0 HB2 SER A 2 9.016 -12.225 19.334 1.00 53.30 H new ATOM 0 HB3 SER A 2 7.411 -12.638 18.764 1.00 53.30 H new ATOM 0 HG SER A 2 7.481 -12.358 21.066 1.00 4.33 H new ATOM 19 N THR A 3 8.235 -15.337 16.642 1.00 1.15 N ATOM 20 CA THR A 3 8.087 -15.418 15.195 1.00 45.00 C ATOM 21 C THR A 3 7.224 -14.279 14.665 1.00 32.34 C ATOM 22 O THR A 3 6.109 -14.061 15.139 1.00 35.31 O ATOM 23 CB THR A 3 7.465 -16.761 14.768 1.00 43.41 C ATOM 24 OG1 THR A 3 8.188 -17.846 15.360 1.00 23.21 O ATOM 25 CG2 THR A 3 7.476 -16.904 13.253 1.00 25.52 C ATOM 0 H THR A 3 7.962 -16.183 17.141 1.00 1.15 H new ATOM 0 HA THR A 3 9.088 -15.339 14.771 1.00 45.00 H new ATOM 0 HB THR A 3 6.431 -16.784 15.112 1.00 43.41 H new ATOM 0 HG1 THR A 3 7.785 -18.696 15.085 1.00 23.21 H new ATOM 0 HG21 THR A 3 7.032 -17.860 12.975 1.00 25.52 H new ATOM 0 HG22 THR A 3 6.901 -16.093 12.807 1.00 25.52 H new ATOM 0 HG23 THR A 3 8.503 -16.862 12.891 1.00 25.52 H new ATOM 33 N MET A 4 7.745 -13.556 13.679 1.00 33.34 N ATOM 34 CA MET A 4 7.018 -12.440 13.084 1.00 41.41 C ATOM 35 C MET A 4 5.793 -12.934 12.321 1.00 34.43 C ATOM 36 O MET A 4 5.804 -14.023 11.748 1.00 51.05 O ATOM 37 CB MET A 4 7.934 -11.650 12.147 1.00 24.13 C ATOM 38 CG MET A 4 8.363 -10.305 12.707 1.00 70.33 C ATOM 39 SD MET A 4 9.562 -9.464 11.655 1.00 12.55 S ATOM 40 CE MET A 4 10.006 -8.073 12.691 1.00 32.41 C ATOM 0 H MET A 4 8.667 -13.723 13.275 1.00 33.34 H new ATOM 0 HA MET A 4 6.682 -11.786 13.889 1.00 41.41 H new ATOM 0 HB2 MET A 4 8.822 -12.245 11.934 1.00 24.13 H new ATOM 0 HB3 MET A 4 7.421 -11.492 11.199 1.00 24.13 H new ATOM 0 HG2 MET A 4 7.485 -9.670 12.830 1.00 70.33 H new ATOM 0 HG3 MET A 4 8.793 -10.449 13.698 1.00 70.33 H new ATOM 0 HE1 MET A 4 10.743 -7.456 12.176 1.00 32.41 H new ATOM 0 HE2 MET A 4 9.118 -7.477 12.901 1.00 32.41 H new ATOM 0 HE3 MET A 4 10.428 -8.437 13.628 1.00 32.41 H new ATOM 50 N ALA A 5 4.737 -12.126 12.320 1.00 14.55 N ATOM 51 CA ALA A 5 3.505 -12.480 11.627 1.00 2.21 C ATOM 52 C ALA A 5 3.675 -12.370 10.115 1.00 71.41 C ATOM 53 O ALA A 5 4.744 -12.003 9.628 1.00 63.44 O ATOM 54 CB ALA A 5 2.362 -11.594 12.097 1.00 23.43 C ATOM 0 H ALA A 5 4.711 -11.222 12.792 1.00 14.55 H new ATOM 0 HA ALA A 5 3.268 -13.517 11.866 1.00 2.21 H new ATOM 0 HB1 ALA A 5 1.448 -11.870 11.571 1.00 23.43 H new ATOM 0 HB2 ALA A 5 2.217 -11.725 13.169 1.00 23.43 H new ATOM 0 HB3 ALA A 5 2.600 -10.551 11.888 1.00 23.43 H new ATOM 60 N GLU A 6 2.615 -12.692 9.381 1.00 62.02 N ATOM 61 CA GLU A 6 2.649 -12.630 7.924 1.00 13.04 C ATOM 62 C GLU A 6 2.359 -11.215 7.433 1.00 40.11 C ATOM 63 O GLU A 6 1.205 -10.791 7.374 1.00 21.02 O ATOM 64 CB GLU A 6 1.635 -13.607 7.326 1.00 35.43 C ATOM 65 CG GLU A 6 1.929 -15.062 7.646 1.00 44.50 C ATOM 66 CD GLU A 6 0.840 -15.999 7.161 1.00 33.11 C ATOM 67 OE1 GLU A 6 0.345 -15.798 6.032 1.00 61.53 O ATOM 68 OE2 GLU A 6 0.483 -16.933 7.909 1.00 11.21 O ATOM 0 H GLU A 6 1.723 -12.998 9.770 1.00 62.02 H new ATOM 0 HA GLU A 6 3.650 -12.911 7.597 1.00 13.04 H new ATOM 0 HB2 GLU A 6 0.641 -13.356 7.695 1.00 35.43 H new ATOM 0 HB3 GLU A 6 1.615 -13.479 6.244 1.00 35.43 H new ATOM 0 HG2 GLU A 6 2.877 -15.346 7.189 1.00 44.50 H new ATOM 0 HG3 GLU A 6 2.048 -15.176 8.724 1.00 44.50 H new ATOM 76 N GLU A 7 3.415 -10.489 7.081 1.00 53.10 N ATOM 77 CA GLU A 7 3.275 -9.121 6.596 1.00 33.42 C ATOM 78 C GLU A 7 2.535 -9.090 5.262 1.00 4.22 C ATOM 79 O GLU A 7 2.207 -10.134 4.696 1.00 54.12 O ATOM 80 CB GLU A 7 4.649 -8.465 6.445 1.00 53.12 C ATOM 81 CG GLU A 7 4.758 -7.115 7.135 1.00 1.31 C ATOM 82 CD GLU A 7 6.063 -6.407 6.827 1.00 71.25 C ATOM 83 OE1 GLU A 7 6.711 -5.917 7.776 1.00 20.35 O ATOM 84 OE2 GLU A 7 6.437 -6.342 5.637 1.00 51.11 O ATOM 0 H GLU A 7 4.377 -10.825 7.123 1.00 53.10 H new ATOM 0 HA GLU A 7 2.693 -8.562 7.328 1.00 33.42 H new ATOM 0 HB2 GLU A 7 5.408 -9.134 6.851 1.00 53.12 H new ATOM 0 HB3 GLU A 7 4.868 -8.340 5.385 1.00 53.12 H new ATOM 0 HG2 GLU A 7 3.925 -6.484 6.825 1.00 1.31 H new ATOM 0 HG3 GLU A 7 4.669 -7.254 8.213 1.00 1.31 H new ATOM 92 N VAL A 8 2.276 -7.885 4.763 1.00 30.44 N ATOM 93 CA VAL A 8 1.576 -7.717 3.495 1.00 33.14 C ATOM 94 C VAL A 8 2.156 -6.555 2.696 1.00 12.23 C ATOM 95 O VAL A 8 2.546 -5.533 3.261 1.00 14.23 O ATOM 96 CB VAL A 8 0.070 -7.475 3.713 1.00 22.00 C ATOM 97 CG1 VAL A 8 -0.617 -7.164 2.392 1.00 45.21 C ATOM 98 CG2 VAL A 8 -0.571 -8.679 4.386 1.00 40.23 C ATOM 0 H VAL A 8 2.541 -7.011 5.218 1.00 30.44 H new ATOM 0 HA VAL A 8 1.711 -8.642 2.934 1.00 33.14 H new ATOM 0 HB VAL A 8 -0.051 -6.614 4.370 1.00 22.00 H new ATOM 0 HG11 VAL A 8 -1.680 -6.996 2.565 1.00 45.21 H new ATOM 0 HG12 VAL A 8 -0.175 -6.269 1.954 1.00 45.21 H new ATOM 0 HG13 VAL A 8 -0.489 -8.004 1.709 1.00 45.21 H new ATOM 0 HG21 VAL A 8 -1.635 -8.491 4.532 1.00 40.23 H new ATOM 0 HG22 VAL A 8 -0.442 -9.559 3.757 1.00 40.23 H new ATOM 0 HG23 VAL A 8 -0.097 -8.851 5.352 1.00 40.23 H new ATOM 108 N VAL A 9 2.210 -6.719 1.379 1.00 72.04 N ATOM 109 CA VAL A 9 2.741 -5.682 0.501 1.00 24.30 C ATOM 110 C VAL A 9 1.771 -5.373 -0.634 1.00 3.22 C ATOM 111 O VAL A 9 1.188 -6.278 -1.231 1.00 42.41 O ATOM 112 CB VAL A 9 4.099 -6.095 -0.097 1.00 30.22 C ATOM 113 CG1 VAL A 9 5.240 -5.440 0.666 1.00 41.15 C ATOM 114 CG2 VAL A 9 4.245 -7.610 -0.092 1.00 74.55 C ATOM 0 H VAL A 9 1.893 -7.559 0.896 1.00 72.04 H new ATOM 0 HA VAL A 9 2.877 -4.789 1.111 1.00 24.30 H new ATOM 0 HB VAL A 9 4.140 -5.752 -1.131 1.00 30.22 H new ATOM 0 HG11 VAL A 9 6.191 -5.744 0.229 1.00 41.15 H new ATOM 0 HG12 VAL A 9 5.143 -4.356 0.606 1.00 41.15 H new ATOM 0 HG13 VAL A 9 5.205 -5.750 1.710 1.00 41.15 H new ATOM 0 HG21 VAL A 9 5.210 -7.884 -0.518 1.00 74.55 H new ATOM 0 HG22 VAL A 9 4.183 -7.978 0.932 1.00 74.55 H new ATOM 0 HG23 VAL A 9 3.447 -8.054 -0.687 1.00 74.55 H new ATOM 124 N VAL A 10 1.603 -4.087 -0.927 1.00 5.32 N ATOM 125 CA VAL A 10 0.705 -3.657 -1.993 1.00 12.24 C ATOM 126 C VAL A 10 1.448 -2.836 -3.039 1.00 2.21 C ATOM 127 O VAL A 10 2.331 -2.044 -2.711 1.00 44.11 O ATOM 128 CB VAL A 10 -0.465 -2.824 -1.437 1.00 13.12 C ATOM 129 CG1 VAL A 10 -0.963 -3.409 -0.125 1.00 14.24 C ATOM 130 CG2 VAL A 10 -0.047 -1.373 -1.258 1.00 54.31 C ATOM 0 H VAL A 10 2.077 -3.325 -0.441 1.00 5.32 H new ATOM 0 HA VAL A 10 0.310 -4.560 -2.459 1.00 12.24 H new ATOM 0 HB VAL A 10 -1.284 -2.857 -2.155 1.00 13.12 H new ATOM 0 HG11 VAL A 10 -1.790 -2.806 0.252 1.00 14.24 H new ATOM 0 HG12 VAL A 10 -1.304 -4.431 -0.289 1.00 14.24 H new ATOM 0 HG13 VAL A 10 -0.153 -3.409 0.604 1.00 14.24 H new ATOM 0 HG21 VAL A 10 -0.886 -0.799 -0.864 1.00 54.31 H new ATOM 0 HG22 VAL A 10 0.789 -1.319 -0.561 1.00 54.31 H new ATOM 0 HG23 VAL A 10 0.256 -0.960 -2.220 1.00 54.31 H new ATOM 140 N VAL A 11 1.084 -3.029 -4.303 1.00 61.20 N ATOM 141 CA VAL A 11 1.714 -2.305 -5.400 1.00 52.43 C ATOM 142 C VAL A 11 0.785 -1.232 -5.956 1.00 23.51 C ATOM 143 O VAL A 11 -0.434 -1.403 -5.982 1.00 0.55 O ATOM 144 CB VAL A 11 2.122 -3.256 -6.540 1.00 5.54 C ATOM 145 CG1 VAL A 11 0.905 -3.987 -7.088 1.00 72.04 C ATOM 146 CG2 VAL A 11 2.836 -2.491 -7.643 1.00 63.30 C ATOM 0 H VAL A 11 0.355 -3.681 -4.592 1.00 61.20 H new ATOM 0 HA VAL A 11 2.608 -1.832 -4.994 1.00 52.43 H new ATOM 0 HB VAL A 11 2.812 -3.999 -6.140 1.00 5.54 H new ATOM 0 HG11 VAL A 11 1.213 -4.654 -7.893 1.00 72.04 H new ATOM 0 HG12 VAL A 11 0.441 -4.569 -6.292 1.00 72.04 H new ATOM 0 HG13 VAL A 11 0.188 -3.262 -7.473 1.00 72.04 H new ATOM 0 HG21 VAL A 11 3.117 -3.179 -8.440 1.00 63.30 H new ATOM 0 HG22 VAL A 11 2.172 -1.724 -8.043 1.00 63.30 H new ATOM 0 HG23 VAL A 11 3.732 -2.020 -7.238 1.00 63.30 H new ATOM 156 N ALA A 12 1.369 -0.124 -6.403 1.00 4.24 N ATOM 157 CA ALA A 12 0.593 0.975 -6.962 1.00 43.25 C ATOM 158 C ALA A 12 0.471 0.847 -8.477 1.00 31.23 C ATOM 159 O ALA A 12 1.471 0.711 -9.182 1.00 53.43 O ATOM 160 CB ALA A 12 1.228 2.308 -6.594 1.00 35.41 C ATOM 0 H ALA A 12 2.376 0.035 -6.388 1.00 4.24 H new ATOM 0 HA ALA A 12 -0.410 0.932 -6.538 1.00 43.25 H new ATOM 0 HB1 ALA A 12 0.639 3.121 -7.018 1.00 35.41 H new ATOM 0 HB2 ALA A 12 1.259 2.409 -5.509 1.00 35.41 H new ATOM 0 HB3 ALA A 12 2.242 2.350 -6.991 1.00 35.41 H new ATOM 166 N LYS A 13 -0.762 0.890 -8.972 1.00 53.02 N ATOM 167 CA LYS A 13 -1.016 0.779 -10.403 1.00 12.42 C ATOM 168 C LYS A 13 -1.007 2.153 -11.065 1.00 1.11 C ATOM 169 O LYS A 13 -0.900 2.263 -12.287 1.00 72.05 O ATOM 170 CB LYS A 13 -2.360 0.090 -10.651 1.00 61.54 C ATOM 171 CG LYS A 13 -3.517 0.724 -9.898 1.00 12.21 C ATOM 172 CD LYS A 13 -4.831 0.025 -10.202 1.00 43.44 C ATOM 173 CE LYS A 13 -5.000 -0.218 -11.695 1.00 12.33 C ATOM 174 NZ LYS A 13 -6.411 -0.535 -12.049 1.00 15.22 N ATOM 0 H LYS A 13 -1.601 1.001 -8.402 1.00 53.02 H new ATOM 0 HA LYS A 13 -0.220 0.178 -10.843 1.00 12.42 H new ATOM 0 HB2 LYS A 13 -2.578 0.111 -11.719 1.00 61.54 H new ATOM 0 HB3 LYS A 13 -2.280 -0.958 -10.362 1.00 61.54 H new ATOM 0 HG2 LYS A 13 -3.321 0.682 -8.827 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -3.594 1.777 -10.167 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -4.870 -0.926 -9.671 1.00 43.44 H new ATOM 0 HD3 LYS A 13 -5.660 0.630 -9.834 1.00 43.44 H new ATOM 0 HE2 LYS A 13 -4.677 0.666 -12.246 1.00 12.33 H new ATOM 0 HE3 LYS A 13 -4.354 -1.040 -12.005 1.00 12.33 H new ATOM 0 HZ1 LYS A 13 -6.484 -0.694 -13.074 1.00 15.22 H new ATOM 0 HZ2 LYS A 13 -6.711 -1.393 -11.543 1.00 15.22 H new ATOM 0 HZ3 LYS A 13 -7.024 0.260 -11.777 1.00 15.22 H new ATOM 188 N PHE A 14 -1.119 3.197 -10.252 1.00 70.23 N ATOM 189 CA PHE A 14 -1.124 4.565 -10.759 1.00 3.13 C ATOM 190 C PHE A 14 -0.370 5.497 -9.816 1.00 40.34 C ATOM 191 O PHE A 14 0.180 5.062 -8.804 1.00 55.22 O ATOM 192 CB PHE A 14 -2.559 5.059 -10.944 1.00 33.35 C ATOM 193 CG PHE A 14 -3.377 4.196 -11.861 1.00 30.35 C ATOM 194 CD1 PHE A 14 -2.910 3.864 -13.123 1.00 14.52 C ATOM 195 CD2 PHE A 14 -4.614 3.713 -11.462 1.00 74.45 C ATOM 196 CE1 PHE A 14 -3.661 3.071 -13.969 1.00 42.21 C ATOM 197 CE2 PHE A 14 -5.369 2.919 -12.304 1.00 73.31 C ATOM 198 CZ PHE A 14 -4.892 2.597 -13.558 1.00 43.13 C ATOM 0 H PHE A 14 -1.208 3.123 -9.239 1.00 70.23 H new ATOM 0 HA PHE A 14 -0.620 4.569 -11.725 1.00 3.13 H new ATOM 0 HB2 PHE A 14 -3.047 5.105 -9.970 1.00 33.35 H new ATOM 0 HB3 PHE A 14 -2.537 6.075 -11.338 1.00 33.35 H new ATOM 0 HD1 PHE A 14 -1.947 4.230 -13.449 1.00 14.52 H new ATOM 0 HD2 PHE A 14 -4.992 3.960 -10.481 1.00 74.45 H new ATOM 0 HE1 PHE A 14 -3.286 2.822 -14.951 1.00 42.21 H new ATOM 0 HE2 PHE A 14 -6.332 2.551 -11.981 1.00 73.31 H new ATOM 0 HZ PHE A 14 -5.480 1.975 -14.217 1.00 43.13 H new ATOM 208 N ASP A 15 -0.348 6.782 -10.156 1.00 32.12 N ATOM 209 CA ASP A 15 0.336 7.777 -9.339 1.00 44.41 C ATOM 210 C ASP A 15 -0.661 8.589 -8.520 1.00 31.41 C ATOM 211 O ASP A 15 -1.751 8.912 -8.994 1.00 73.42 O ATOM 212 CB ASP A 15 1.166 8.709 -10.223 1.00 41.22 C ATOM 213 CG ASP A 15 0.340 9.356 -11.318 1.00 52.30 C ATOM 214 OD1 ASP A 15 0.031 8.668 -12.313 1.00 71.23 O ATOM 215 OD2 ASP A 15 0.003 10.551 -11.179 1.00 3.13 O ATOM 0 H ASP A 15 -0.796 7.158 -10.992 1.00 32.12 H new ATOM 0 HA ASP A 15 0.999 7.252 -8.652 1.00 44.41 H new ATOM 0 HB2 ASP A 15 1.617 9.486 -9.605 1.00 41.22 H new ATOM 0 HB3 ASP A 15 1.983 8.146 -10.673 1.00 41.22 H new ATOM 221 N TYR A 16 -0.284 8.912 -7.288 1.00 43.40 N ATOM 222 CA TYR A 16 -1.148 9.683 -6.401 1.00 41.53 C ATOM 223 C TYR A 16 -0.332 10.667 -5.568 1.00 32.34 C ATOM 224 O TYR A 16 0.825 10.410 -5.238 1.00 13.53 O ATOM 225 CB TYR A 16 -1.934 8.747 -5.481 1.00 42.21 C ATOM 226 CG TYR A 16 -2.370 9.396 -4.187 1.00 43.03 C ATOM 227 CD1 TYR A 16 -3.556 10.117 -4.114 1.00 5.03 C ATOM 228 CD2 TYR A 16 -1.597 9.289 -3.038 1.00 4.13 C ATOM 229 CE1 TYR A 16 -3.959 10.712 -2.935 1.00 53.32 C ATOM 230 CE2 TYR A 16 -1.993 9.880 -1.854 1.00 1.34 C ATOM 231 CZ TYR A 16 -3.174 10.590 -1.807 1.00 52.21 C ATOM 232 OH TYR A 16 -3.572 11.181 -0.629 1.00 61.44 O ATOM 0 H TYR A 16 0.614 8.652 -6.880 1.00 43.40 H new ATOM 0 HA TYR A 16 -1.848 10.248 -7.016 1.00 41.53 H new ATOM 0 HB2 TYR A 16 -2.815 8.385 -6.011 1.00 42.21 H new ATOM 0 HB3 TYR A 16 -1.320 7.876 -5.252 1.00 42.21 H new ATOM 0 HD1 TYR A 16 -4.173 10.214 -4.995 1.00 5.03 H new ATOM 0 HD2 TYR A 16 -0.671 8.734 -3.071 1.00 4.13 H new ATOM 0 HE1 TYR A 16 -4.883 11.270 -2.896 1.00 53.32 H new ATOM 0 HE2 TYR A 16 -1.381 9.786 -0.969 1.00 1.34 H new ATOM 0 HH TYR A 16 -3.236 10.658 0.129 1.00 61.44 H new ATOM 242 N VAL A 17 -0.946 11.796 -5.231 1.00 73.44 N ATOM 243 CA VAL A 17 -0.281 12.821 -4.434 1.00 71.21 C ATOM 244 C VAL A 17 -0.920 12.948 -3.056 1.00 23.43 C ATOM 245 O VAL A 17 -2.044 13.433 -2.924 1.00 64.03 O ATOM 246 CB VAL A 17 -0.322 14.192 -5.136 1.00 13.32 C ATOM 247 CG1 VAL A 17 0.358 15.250 -4.280 1.00 61.13 C ATOM 248 CG2 VAL A 17 0.325 14.108 -6.509 1.00 5.41 C ATOM 0 H VAL A 17 -1.904 12.025 -5.497 1.00 73.44 H new ATOM 0 HA VAL A 17 0.757 12.510 -4.321 1.00 71.21 H new ATOM 0 HB VAL A 17 -1.364 14.481 -5.269 1.00 13.32 H new ATOM 0 HG11 VAL A 17 0.320 16.212 -4.792 1.00 61.13 H new ATOM 0 HG12 VAL A 17 -0.156 15.328 -3.322 1.00 61.13 H new ATOM 0 HG13 VAL A 17 1.398 14.969 -4.113 1.00 61.13 H new ATOM 0 HG21 VAL A 17 0.287 15.086 -6.990 1.00 5.41 H new ATOM 0 HG22 VAL A 17 1.364 13.796 -6.403 1.00 5.41 H new ATOM 0 HG23 VAL A 17 -0.211 13.382 -7.120 1.00 5.41 H new ATOM 258 N ALA A 18 -0.197 12.508 -2.032 1.00 21.11 N ATOM 259 CA ALA A 18 -0.693 12.574 -0.663 1.00 13.55 C ATOM 260 C ALA A 18 -1.391 13.903 -0.395 1.00 63.32 C ATOM 261 O ALA A 18 -0.749 14.891 -0.040 1.00 2.30 O ATOM 262 CB ALA A 18 0.449 12.367 0.323 1.00 23.50 C ATOM 0 H ALA A 18 0.734 12.102 -2.124 1.00 21.11 H new ATOM 0 HA ALA A 18 -1.424 11.776 -0.529 1.00 13.55 H new ATOM 0 HB1 ALA A 18 0.064 12.419 1.342 1.00 23.50 H new ATOM 0 HB2 ALA A 18 0.902 11.390 0.155 1.00 23.50 H new ATOM 0 HB3 ALA A 18 1.200 13.144 0.179 1.00 23.50 H new ATOM 268 N GLN A 19 -2.709 13.919 -0.569 1.00 43.12 N ATOM 269 CA GLN A 19 -3.493 15.128 -0.348 1.00 40.23 C ATOM 270 C GLN A 19 -3.058 15.833 0.934 1.00 44.24 C ATOM 271 O GLN A 19 -2.538 16.947 0.893 1.00 74.51 O ATOM 272 CB GLN A 19 -4.982 14.789 -0.277 1.00 74.55 C ATOM 273 CG GLN A 19 -5.817 15.487 -1.339 1.00 71.14 C ATOM 274 CD GLN A 19 -5.562 14.944 -2.731 1.00 3.25 C ATOM 275 OE1 GLN A 19 -6.160 13.948 -3.141 1.00 61.45 O ATOM 276 NE2 GLN A 19 -4.668 15.595 -3.467 1.00 21.44 N ATOM 0 H GLN A 19 -3.255 13.109 -0.862 1.00 43.12 H new ATOM 0 HA GLN A 19 -3.320 15.801 -1.188 1.00 40.23 H new ATOM 0 HB2 GLN A 19 -5.106 13.711 -0.380 1.00 74.55 H new ATOM 0 HB3 GLN A 19 -5.361 15.061 0.708 1.00 74.55 H new ATOM 0 HG2 GLN A 19 -6.874 15.374 -1.097 1.00 71.14 H new ATOM 0 HG3 GLN A 19 -5.599 16.555 -1.324 1.00 71.14 H new ATOM 0 HE21 GLN A 19 -4.196 16.416 -3.088 1.00 21.44 H new ATOM 0 HE22 GLN A 19 -4.454 15.274 -4.411 1.00 21.44 H new ATOM 285 N GLN A 20 -3.274 15.174 2.067 1.00 73.15 N ATOM 286 CA GLN A 20 -2.904 15.738 3.360 1.00 60.14 C ATOM 287 C GLN A 20 -1.455 15.410 3.703 1.00 33.13 C ATOM 288 O GLN A 20 -0.880 14.464 3.166 1.00 12.45 O ATOM 289 CB GLN A 20 -3.833 15.210 4.454 1.00 34.11 C ATOM 290 CG GLN A 20 -4.512 16.307 5.258 1.00 73.52 C ATOM 291 CD GLN A 20 -5.259 15.771 6.463 1.00 75.11 C ATOM 292 OE1 GLN A 20 -5.531 14.573 6.558 1.00 62.13 O ATOM 293 NE2 GLN A 20 -5.595 16.657 7.394 1.00 5.10 N ATOM 0 H GLN A 20 -3.703 14.250 2.116 1.00 73.15 H new ATOM 0 HA GLN A 20 -3.006 16.821 3.299 1.00 60.14 H new ATOM 0 HB2 GLN A 20 -4.597 14.580 3.998 1.00 34.11 H new ATOM 0 HB3 GLN A 20 -3.260 14.577 5.131 1.00 34.11 H new ATOM 0 HG2 GLN A 20 -3.763 17.025 5.590 1.00 73.52 H new ATOM 0 HG3 GLN A 20 -5.207 16.846 4.615 1.00 73.52 H new ATOM 0 HE21 GLN A 20 -5.350 17.640 7.275 1.00 5.10 H new ATOM 0 HE22 GLN A 20 -6.098 16.354 8.228 1.00 5.10 H new ATOM 302 N GLU A 21 -0.871 16.198 4.601 1.00 62.02 N ATOM 303 CA GLU A 21 0.511 15.990 5.014 1.00 44.23 C ATOM 304 C GLU A 21 0.666 14.662 5.751 1.00 65.55 C ATOM 305 O GLU A 21 1.779 14.174 5.943 1.00 32.41 O ATOM 306 CB GLU A 21 0.977 17.139 5.909 1.00 54.52 C ATOM 307 CG GLU A 21 0.264 17.195 7.249 1.00 73.24 C ATOM 308 CD GLU A 21 -0.486 18.498 7.457 1.00 24.31 C ATOM 309 OE1 GLU A 21 -1.599 18.635 6.905 1.00 30.14 O ATOM 310 OE2 GLU A 21 0.039 19.378 8.169 1.00 62.34 O ATOM 0 H GLU A 21 -1.334 16.985 5.056 1.00 62.02 H new ATOM 0 HA GLU A 21 1.130 15.962 4.117 1.00 44.23 H new ATOM 0 HB2 GLU A 21 2.049 17.042 6.081 1.00 54.52 H new ATOM 0 HB3 GLU A 21 0.822 18.082 5.385 1.00 54.52 H new ATOM 0 HG2 GLU A 21 -0.436 16.362 7.319 1.00 73.24 H new ATOM 0 HG3 GLU A 21 0.993 17.068 8.050 1.00 73.24 H new ATOM 318 N GLN A 22 -0.459 14.085 6.160 1.00 33.20 N ATOM 319 CA GLN A 22 -0.449 12.815 6.877 1.00 73.15 C ATOM 320 C GLN A 22 -0.356 11.643 5.905 1.00 70.30 C ATOM 321 O GLN A 22 0.300 10.641 6.189 1.00 52.24 O ATOM 322 CB GLN A 22 -1.707 12.681 7.738 1.00 62.04 C ATOM 323 CG GLN A 22 -1.615 11.579 8.781 1.00 62.44 C ATOM 324 CD GLN A 22 -1.058 12.071 10.102 1.00 70.22 C ATOM 325 OE1 GLN A 22 -0.513 13.172 10.188 1.00 71.42 O ATOM 326 NE2 GLN A 22 -1.192 11.256 11.141 1.00 51.30 N ATOM 0 H GLN A 22 -1.389 14.476 6.007 1.00 33.20 H new ATOM 0 HA GLN A 22 0.428 12.798 7.524 1.00 73.15 H new ATOM 0 HB2 GLN A 22 -1.897 13.630 8.240 1.00 62.04 H new ATOM 0 HB3 GLN A 22 -2.562 12.486 7.090 1.00 62.04 H new ATOM 0 HG2 GLN A 22 -2.606 11.155 8.944 1.00 62.44 H new ATOM 0 HG3 GLN A 22 -0.983 10.776 8.401 1.00 62.44 H new ATOM 0 HE21 GLN A 22 -1.651 10.352 11.025 1.00 51.30 H new ATOM 0 HE22 GLN A 22 -0.836 11.533 12.056 1.00 51.30 H new ATOM 335 N GLU A 23 -1.017 11.776 4.760 1.00 71.23 N ATOM 336 CA GLU A 23 -1.009 10.726 3.748 1.00 72.55 C ATOM 337 C GLU A 23 0.385 10.560 3.149 1.00 65.53 C ATOM 338 O GLU A 23 1.218 11.464 3.223 1.00 70.42 O ATOM 339 CB GLU A 23 -2.017 11.045 2.642 1.00 44.04 C ATOM 340 CG GLU A 23 -3.456 11.102 3.127 1.00 12.53 C ATOM 341 CD GLU A 23 -4.312 12.046 2.307 1.00 64.44 C ATOM 342 OE1 GLU A 23 -5.507 12.202 2.637 1.00 62.23 O ATOM 343 OE2 GLU A 23 -3.789 12.629 1.335 1.00 44.24 O ATOM 0 H GLU A 23 -1.564 12.599 4.510 1.00 71.23 H new ATOM 0 HA GLU A 23 -1.293 9.790 4.229 1.00 72.55 H new ATOM 0 HB2 GLU A 23 -1.757 12.002 2.190 1.00 44.04 H new ATOM 0 HB3 GLU A 23 -1.936 10.290 1.860 1.00 44.04 H new ATOM 0 HG2 GLU A 23 -3.888 10.102 3.090 1.00 12.53 H new ATOM 0 HG3 GLU A 23 -3.471 11.417 4.170 1.00 12.53 H new ATOM 351 N LEU A 24 0.630 9.397 2.554 1.00 51.32 N ATOM 352 CA LEU A 24 1.923 9.110 1.941 1.00 12.42 C ATOM 353 C LEU A 24 1.822 9.137 0.419 1.00 5.42 C ATOM 354 O LEU A 24 0.874 8.604 -0.160 1.00 14.44 O ATOM 355 CB LEU A 24 2.439 7.747 2.406 1.00 72.43 C ATOM 356 CG LEU A 24 3.894 7.703 2.873 1.00 72.42 C ATOM 357 CD1 LEU A 24 4.275 6.295 3.300 1.00 12.31 C ATOM 358 CD2 LEU A 24 4.821 8.199 1.773 1.00 14.32 C ATOM 0 H LEU A 24 -0.048 8.639 2.483 1.00 51.32 H new ATOM 0 HA LEU A 24 2.625 9.883 2.254 1.00 12.42 H new ATOM 0 HB2 LEU A 24 1.806 7.401 3.223 1.00 72.43 H new ATOM 0 HB3 LEU A 24 2.320 7.037 1.587 1.00 72.43 H new ATOM 0 HG LEU A 24 4.000 8.362 3.735 1.00 72.42 H new ATOM 0 HD11 LEU A 24 5.314 6.283 3.629 1.00 12.31 H new ATOM 0 HD12 LEU A 24 3.631 5.977 4.120 1.00 12.31 H new ATOM 0 HD13 LEU A 24 4.154 5.614 2.458 1.00 12.31 H new ATOM 0 HD21 LEU A 24 5.853 8.161 2.122 1.00 14.32 H new ATOM 0 HD22 LEU A 24 4.712 7.566 0.893 1.00 14.32 H new ATOM 0 HD23 LEU A 24 4.563 9.226 1.515 1.00 14.32 H new ATOM 370 N ASP A 25 2.805 9.757 -0.223 1.00 12.32 N ATOM 371 CA ASP A 25 2.829 9.849 -1.678 1.00 64.25 C ATOM 372 C ASP A 25 3.200 8.508 -2.302 1.00 63.42 C ATOM 373 O ASP A 25 3.990 7.749 -1.740 1.00 63.02 O ATOM 374 CB ASP A 25 3.820 10.926 -2.126 1.00 4.30 C ATOM 375 CG ASP A 25 5.258 10.548 -1.828 1.00 70.32 C ATOM 376 OD1 ASP A 25 5.831 11.105 -0.868 1.00 40.11 O ATOM 377 OD2 ASP A 25 5.809 9.696 -2.555 1.00 44.51 O ATOM 0 H ASP A 25 3.596 10.204 0.241 1.00 12.32 H new ATOM 0 HA ASP A 25 1.829 10.122 -2.016 1.00 64.25 H new ATOM 0 HB2 ASP A 25 3.707 11.098 -3.196 1.00 4.30 H new ATOM 0 HB3 ASP A 25 3.583 11.865 -1.626 1.00 4.30 H new ATOM 383 N ILE A 26 2.624 8.222 -3.465 1.00 41.22 N ATOM 384 CA ILE A 26 2.894 6.972 -4.164 1.00 53.34 C ATOM 385 C ILE A 26 3.377 7.232 -5.588 1.00 33.40 C ATOM 386 O ILE A 26 3.480 8.380 -6.020 1.00 64.12 O ATOM 387 CB ILE A 26 1.644 6.074 -4.214 1.00 2.23 C ATOM 388 CG1 ILE A 26 0.811 6.389 -5.459 1.00 0.44 C ATOM 389 CG2 ILE A 26 0.812 6.254 -2.953 1.00 25.00 C ATOM 390 CD1 ILE A 26 -0.510 5.654 -5.503 1.00 53.02 C ATOM 0 H ILE A 26 1.967 8.839 -3.943 1.00 41.22 H new ATOM 0 HA ILE A 26 3.677 6.460 -3.605 1.00 53.34 H new ATOM 0 HB ILE A 26 1.964 5.034 -4.269 1.00 2.23 H new ATOM 0 HG12 ILE A 26 0.622 7.462 -5.498 1.00 0.44 H new ATOM 0 HG13 ILE A 26 1.389 6.134 -6.347 1.00 0.44 H new ATOM 0 HG21 ILE A 26 -0.068 5.613 -3.003 1.00 25.00 H new ATOM 0 HG22 ILE A 26 1.409 5.984 -2.082 1.00 25.00 H new ATOM 0 HG23 ILE A 26 0.498 7.295 -2.869 1.00 25.00 H new ATOM 0 HD11 ILE A 26 -1.047 5.925 -6.412 1.00 53.02 H new ATOM 0 HD12 ILE A 26 -0.329 4.579 -5.495 1.00 53.02 H new ATOM 0 HD13 ILE A 26 -1.108 5.927 -4.633 1.00 53.02 H new ATOM 402 N LYS A 27 3.670 6.157 -6.312 1.00 51.33 N ATOM 403 CA LYS A 27 4.139 6.267 -7.688 1.00 61.22 C ATOM 404 C LYS A 27 3.750 5.033 -8.495 1.00 21.42 C ATOM 405 O LYS A 27 3.781 3.910 -7.988 1.00 54.24 O ATOM 406 CB LYS A 27 5.657 6.451 -7.718 1.00 45.31 C ATOM 407 CG LYS A 27 6.243 6.454 -9.119 1.00 63.33 C ATOM 408 CD LYS A 27 5.908 7.738 -9.860 1.00 51.04 C ATOM 409 CE LYS A 27 6.456 8.958 -9.135 1.00 72.13 C ATOM 410 NZ LYS A 27 6.578 10.134 -10.042 1.00 14.21 N ATOM 0 H LYS A 27 3.591 5.200 -5.969 1.00 51.33 H new ATOM 0 HA LYS A 27 3.665 7.139 -8.139 1.00 61.22 H new ATOM 0 HB2 LYS A 27 5.910 7.390 -7.226 1.00 45.31 H new ATOM 0 HB3 LYS A 27 6.123 5.652 -7.140 1.00 45.31 H new ATOM 0 HG2 LYS A 27 7.325 6.337 -9.062 1.00 63.33 H new ATOM 0 HG3 LYS A 27 5.859 5.600 -9.677 1.00 63.33 H new ATOM 0 HD2 LYS A 27 6.321 7.696 -10.868 1.00 51.04 H new ATOM 0 HD3 LYS A 27 4.827 7.829 -9.962 1.00 51.04 H new ATOM 0 HE2 LYS A 27 5.801 9.209 -8.301 1.00 72.13 H new ATOM 0 HE3 LYS A 27 7.433 8.722 -8.713 1.00 72.13 H new ATOM 0 HZ1 LYS A 27 6.955 10.945 -9.511 1.00 14.21 H new ATOM 0 HZ2 LYS A 27 7.223 9.903 -10.825 1.00 14.21 H new ATOM 0 HZ3 LYS A 27 5.642 10.376 -10.425 1.00 14.21 H new ATOM 424 N LYS A 28 3.384 5.246 -9.755 1.00 3.13 N ATOM 425 CA LYS A 28 2.991 4.151 -10.634 1.00 11.13 C ATOM 426 C LYS A 28 4.030 3.034 -10.610 1.00 41.34 C ATOM 427 O LYS A 28 5.230 3.288 -10.712 1.00 41.01 O ATOM 428 CB LYS A 28 2.806 4.660 -12.065 1.00 2.04 C ATOM 429 CG LYS A 28 2.565 3.554 -13.078 1.00 54.41 C ATOM 430 CD LYS A 28 3.100 3.928 -14.450 1.00 51.43 C ATOM 431 CE LYS A 28 4.474 3.324 -14.697 1.00 14.24 C ATOM 432 NZ LYS A 28 4.439 2.283 -15.761 1.00 2.02 N ATOM 0 H LYS A 28 3.351 6.168 -10.190 1.00 3.13 H new ATOM 0 HA LYS A 28 2.044 3.750 -10.273 1.00 11.13 H new ATOM 0 HB2 LYS A 28 1.965 5.353 -12.089 1.00 2.04 H new ATOM 0 HB3 LYS A 28 3.692 5.223 -12.359 1.00 2.04 H new ATOM 0 HG2 LYS A 28 3.045 2.636 -12.737 1.00 54.41 H new ATOM 0 HG3 LYS A 28 1.497 3.349 -13.147 1.00 54.41 H new ATOM 0 HD2 LYS A 28 2.407 3.584 -15.218 1.00 51.43 H new ATOM 0 HD3 LYS A 28 3.158 5.013 -14.536 1.00 51.43 H new ATOM 0 HE2 LYS A 28 5.171 4.112 -14.983 1.00 14.24 H new ATOM 0 HE3 LYS A 28 4.850 2.886 -13.772 1.00 14.24 H new ATOM 0 HZ1 LYS A 28 5.394 1.896 -15.899 1.00 2.02 H new ATOM 0 HZ2 LYS A 28 3.793 1.519 -15.478 1.00 2.02 H new ATOM 0 HZ3 LYS A 28 4.105 2.707 -16.650 1.00 2.02 H new ATOM 446 N ASN A 29 3.561 1.798 -10.477 1.00 52.45 N ATOM 447 CA ASN A 29 4.451 0.643 -10.442 1.00 34.43 C ATOM 448 C ASN A 29 5.403 0.726 -9.253 1.00 71.10 C ATOM 449 O ASN A 29 6.589 0.423 -9.373 1.00 42.31 O ATOM 450 CB ASN A 29 5.249 0.547 -11.743 1.00 62.51 C ATOM 451 CG ASN A 29 5.142 -0.821 -12.388 1.00 52.41 C ATOM 452 OD1 ASN A 29 5.798 -1.773 -11.961 1.00 63.55 O ATOM 453 ND2 ASN A 29 4.314 -0.925 -13.420 1.00 44.30 N ATOM 0 H ASN A 29 2.570 1.570 -10.392 1.00 52.45 H new ATOM 0 HA ASN A 29 3.839 -0.252 -10.333 1.00 34.43 H new ATOM 0 HB2 ASN A 29 4.892 1.304 -12.442 1.00 62.51 H new ATOM 0 HB3 ASN A 29 6.297 0.769 -11.540 1.00 62.51 H new ATOM 0 HD21 ASN A 29 4.200 -1.821 -13.894 1.00 44.30 H new ATOM 0 HD22 ASN A 29 3.791 -0.109 -13.739 1.00 44.30 H new ATOM 460 N GLU A 30 4.874 1.139 -8.105 1.00 21.31 N ATOM 461 CA GLU A 30 5.677 1.262 -6.894 1.00 3.02 C ATOM 462 C GLU A 30 5.155 0.336 -5.799 1.00 42.53 C ATOM 463 O GLU A 30 3.983 0.394 -5.429 1.00 53.04 O ATOM 464 CB GLU A 30 5.674 2.709 -6.398 1.00 42.03 C ATOM 465 CG GLU A 30 6.788 3.016 -5.411 1.00 42.03 C ATOM 466 CD GLU A 30 6.557 4.312 -4.657 1.00 31.05 C ATOM 467 OE1 GLU A 30 5.380 4.658 -4.421 1.00 44.54 O ATOM 468 OE2 GLU A 30 7.552 4.977 -4.301 1.00 70.24 O ATOM 0 H GLU A 30 3.893 1.394 -7.988 1.00 21.31 H new ATOM 0 HA GLU A 30 6.699 0.971 -7.135 1.00 3.02 H new ATOM 0 HB2 GLU A 30 5.764 3.378 -7.254 1.00 42.03 H new ATOM 0 HB3 GLU A 30 4.714 2.921 -5.927 1.00 42.03 H new ATOM 0 HG2 GLU A 30 6.874 2.196 -4.699 1.00 42.03 H new ATOM 0 HG3 GLU A 30 7.736 3.075 -5.945 1.00 42.03 H new ATOM 476 N ARG A 31 6.035 -0.517 -5.285 1.00 3.25 N ATOM 477 CA ARG A 31 5.664 -1.456 -4.234 1.00 32.04 C ATOM 478 C ARG A 31 5.829 -0.822 -2.855 1.00 2.20 C ATOM 479 O ARG A 31 6.861 -0.218 -2.558 1.00 10.04 O ATOM 480 CB ARG A 31 6.515 -2.724 -4.329 1.00 32.31 C ATOM 481 CG ARG A 31 6.373 -3.454 -5.655 1.00 52.55 C ATOM 482 CD ARG A 31 5.182 -4.398 -5.647 1.00 2.42 C ATOM 483 NE ARG A 31 5.551 -5.743 -5.213 1.00 51.24 N ATOM 484 CZ ARG A 31 6.357 -6.542 -5.902 1.00 53.43 C ATOM 485 NH1 ARG A 31 6.876 -6.134 -7.053 1.00 33.04 N ATOM 486 NH2 ARG A 31 6.647 -7.752 -5.442 1.00 31.24 N ATOM 0 H ARG A 31 7.010 -0.577 -5.579 1.00 3.25 H new ATOM 0 HA ARG A 31 4.615 -1.719 -4.371 1.00 32.04 H new ATOM 0 HB2 ARG A 31 7.562 -2.461 -4.179 1.00 32.31 H new ATOM 0 HB3 ARG A 31 6.237 -3.400 -3.520 1.00 32.31 H new ATOM 0 HG2 ARG A 31 6.258 -2.728 -6.460 1.00 52.55 H new ATOM 0 HG3 ARG A 31 7.283 -4.017 -5.861 1.00 52.55 H new ATOM 0 HD2 ARG A 31 4.411 -4.003 -4.986 1.00 2.42 H new ATOM 0 HD3 ARG A 31 4.751 -4.446 -6.647 1.00 2.42 H new ATOM 0 HE ARG A 31 5.168 -6.087 -4.332 1.00 51.24 H new ATOM 0 HH11 ARG A 31 6.656 -5.204 -7.411 1.00 33.04 H new ATOM 0 HH12 ARG A 31 7.495 -6.750 -7.580 1.00 33.04 H new ATOM 0 HH21 ARG A 31 6.251 -8.070 -4.558 1.00 31.24 H new ATOM 0 HH22 ARG A 31 7.266 -8.364 -5.973 1.00 31.24 H new ATOM 500 N LEU A 32 4.808 -0.965 -2.018 1.00 64.14 N ATOM 501 CA LEU A 32 4.839 -0.406 -0.671 1.00 11.30 C ATOM 502 C LEU A 32 4.524 -1.475 0.370 1.00 23.41 C ATOM 503 O LEU A 32 3.978 -2.531 0.044 1.00 53.43 O ATOM 504 CB LEU A 32 3.841 0.747 -0.552 1.00 51.04 C ATOM 505 CG LEU A 32 4.245 2.056 -1.230 1.00 73.53 C ATOM 506 CD1 LEU A 32 5.423 2.691 -0.507 1.00 32.23 C ATOM 507 CD2 LEU A 32 4.581 1.817 -2.695 1.00 43.43 C ATOM 0 H LEU A 32 3.948 -1.463 -2.248 1.00 64.14 H new ATOM 0 HA LEU A 32 5.844 -0.029 -0.485 1.00 11.30 H new ATOM 0 HB2 LEU A 32 2.889 0.422 -0.972 1.00 51.04 H new ATOM 0 HB3 LEU A 32 3.671 0.946 0.506 1.00 51.04 H new ATOM 0 HG LEU A 32 3.401 2.744 -1.180 1.00 73.53 H new ATOM 0 HD11 LEU A 32 5.696 3.622 -1.004 1.00 32.23 H new ATOM 0 HD12 LEU A 32 5.146 2.899 0.526 1.00 32.23 H new ATOM 0 HD13 LEU A 32 6.272 2.008 -0.525 1.00 32.23 H new ATOM 0 HD21 LEU A 32 4.866 2.760 -3.161 1.00 43.43 H new ATOM 0 HD22 LEU A 32 5.408 1.111 -2.768 1.00 43.43 H new ATOM 0 HD23 LEU A 32 3.709 1.409 -3.206 1.00 43.43 H new ATOM 519 N TRP A 33 4.869 -1.196 1.622 1.00 61.33 N ATOM 520 CA TRP A 33 4.619 -2.133 2.711 1.00 42.21 C ATOM 521 C TRP A 33 3.332 -1.782 3.448 1.00 21.33 C ATOM 522 O TRP A 33 3.211 -0.701 4.026 1.00 31.23 O ATOM 523 CB TRP A 33 5.797 -2.136 3.687 1.00 11.14 C ATOM 524 CG TRP A 33 7.095 -2.528 3.051 1.00 1.53 C ATOM 525 CD1 TRP A 33 7.642 -3.779 3.006 1.00 2.21 C ATOM 526 CD2 TRP A 33 8.012 -1.663 2.371 1.00 24.21 C ATOM 527 NE1 TRP A 33 8.842 -3.744 2.338 1.00 41.30 N ATOM 528 CE2 TRP A 33 9.092 -2.458 1.938 1.00 63.21 C ATOM 529 CE3 TRP A 33 8.025 -0.296 2.083 1.00 42.10 C ATOM 530 CZ2 TRP A 33 10.171 -1.928 1.235 1.00 11.14 C ATOM 531 CZ3 TRP A 33 9.096 0.228 1.386 1.00 53.21 C ATOM 532 CH2 TRP A 33 10.157 -0.586 0.968 1.00 4.24 C ATOM 0 H TRP A 33 5.323 -0.328 1.908 1.00 61.33 H new ATOM 0 HA TRP A 33 4.508 -3.129 2.282 1.00 42.21 H new ATOM 0 HB2 TRP A 33 5.900 -1.143 4.124 1.00 11.14 H new ATOM 0 HB3 TRP A 33 5.580 -2.823 4.505 1.00 11.14 H new ATOM 0 HD1 TRP A 33 7.197 -4.665 3.433 1.00 2.21 H new ATOM 0 HE1 TRP A 33 9.449 -4.546 2.167 1.00 41.30 H new ATOM 0 HE3 TRP A 33 7.212 0.340 2.400 1.00 42.10 H new ATOM 0 HZ2 TRP A 33 10.990 -2.554 0.912 1.00 11.14 H new ATOM 0 HZ3 TRP A 33 9.116 1.284 1.159 1.00 53.21 H new ATOM 0 HH2 TRP A 33 10.980 -0.146 0.424 1.00 4.24 H new ATOM 543 N LEU A 34 2.373 -2.701 3.424 1.00 13.12 N ATOM 544 CA LEU A 34 1.093 -2.488 4.091 1.00 52.11 C ATOM 545 C LEU A 34 1.217 -2.722 5.594 1.00 22.21 C ATOM 546 O LEU A 34 1.752 -3.741 6.032 1.00 25.03 O ATOM 547 CB LEU A 34 0.029 -3.418 3.505 1.00 72.15 C ATOM 548 CG LEU A 34 -1.412 -3.143 3.936 1.00 21.42 C ATOM 549 CD1 LEU A 34 -1.961 -1.919 3.219 1.00 0.45 C ATOM 550 CD2 LEU A 34 -2.289 -4.359 3.667 1.00 72.34 C ATOM 0 H LEU A 34 2.457 -3.600 2.950 1.00 13.12 H new ATOM 0 HA LEU A 34 0.793 -1.453 3.926 1.00 52.11 H new ATOM 0 HB2 LEU A 34 0.080 -3.357 2.418 1.00 72.15 H new ATOM 0 HB3 LEU A 34 0.280 -4.443 3.779 1.00 72.15 H new ATOM 0 HG LEU A 34 -1.419 -2.943 5.007 1.00 21.42 H new ATOM 0 HD11 LEU A 34 -2.987 -1.740 3.539 1.00 0.45 H new ATOM 0 HD12 LEU A 34 -1.349 -1.050 3.461 1.00 0.45 H new ATOM 0 HD13 LEU A 34 -1.941 -2.089 2.142 1.00 0.45 H new ATOM 0 HD21 LEU A 34 -3.311 -4.147 3.979 1.00 72.34 H new ATOM 0 HD22 LEU A 34 -2.276 -4.589 2.602 1.00 72.34 H new ATOM 0 HD23 LEU A 34 -1.909 -5.213 4.227 1.00 72.34 H new ATOM 562 N LEU A 35 0.717 -1.774 6.378 1.00 62.44 N ATOM 563 CA LEU A 35 0.768 -1.877 7.832 1.00 13.21 C ATOM 564 C LEU A 35 -0.626 -2.086 8.414 1.00 63.24 C ATOM 565 O LEU A 35 -0.922 -3.137 8.981 1.00 14.03 O ATOM 566 CB LEU A 35 1.399 -0.619 8.430 1.00 74.23 C ATOM 567 CG LEU A 35 2.841 -0.327 8.012 1.00 70.23 C ATOM 568 CD1 LEU A 35 3.261 1.059 8.476 1.00 13.25 C ATOM 569 CD2 LEU A 35 3.782 -1.386 8.567 1.00 33.41 C ATOM 0 H LEU A 35 0.271 -0.925 6.031 1.00 62.44 H new ATOM 0 HA LEU A 35 1.381 -2.741 8.088 1.00 13.21 H new ATOM 0 HB2 LEU A 35 0.782 0.237 8.157 1.00 74.23 H new ATOM 0 HB3 LEU A 35 1.367 -0.702 9.516 1.00 74.23 H new ATOM 0 HG LEU A 35 2.897 -0.355 6.924 1.00 70.23 H new ATOM 0 HD11 LEU A 35 4.290 1.249 8.170 1.00 13.25 H new ATOM 0 HD12 LEU A 35 2.605 1.806 8.029 1.00 13.25 H new ATOM 0 HD13 LEU A 35 3.189 1.116 9.562 1.00 13.25 H new ATOM 0 HD21 LEU A 35 4.804 -1.162 8.260 1.00 33.41 H new ATOM 0 HD22 LEU A 35 3.723 -1.390 9.655 1.00 33.41 H new ATOM 0 HD23 LEU A 35 3.494 -2.365 8.184 1.00 33.41 H new ATOM 581 N ASP A 36 -1.481 -1.079 8.264 1.00 4.14 N ATOM 582 CA ASP A 36 -2.846 -1.154 8.771 1.00 54.33 C ATOM 583 C ASP A 36 -3.855 -1.036 7.633 1.00 14.11 C ATOM 584 O ASP A 36 -4.000 0.026 7.027 1.00 22.53 O ATOM 585 CB ASP A 36 -3.090 -0.052 9.804 1.00 64.34 C ATOM 586 CG ASP A 36 -3.380 -0.605 11.185 1.00 41.30 C ATOM 587 OD1 ASP A 36 -2.696 -0.192 12.145 1.00 71.23 O ATOM 588 OD2 ASP A 36 -4.289 -1.451 11.306 1.00 61.10 O ATOM 0 H ASP A 36 -1.252 -0.202 7.796 1.00 4.14 H new ATOM 0 HA ASP A 36 -2.978 -2.124 9.249 1.00 54.33 H new ATOM 0 HB2 ASP A 36 -2.215 0.597 9.852 1.00 64.34 H new ATOM 0 HB3 ASP A 36 -3.928 0.566 9.480 1.00 64.34 H new ATOM 594 N ASP A 37 -4.549 -2.132 7.350 1.00 64.12 N ATOM 595 CA ASP A 37 -5.545 -2.152 6.284 1.00 4.24 C ATOM 596 C ASP A 37 -6.931 -2.458 6.842 1.00 32.45 C ATOM 597 O ASP A 37 -7.692 -3.227 6.255 1.00 64.22 O ATOM 598 CB ASP A 37 -5.169 -3.188 5.223 1.00 54.32 C ATOM 599 CG ASP A 37 -4.930 -4.563 5.816 1.00 12.42 C ATOM 600 OD1 ASP A 37 -5.679 -5.498 5.466 1.00 23.24 O ATOM 601 OD2 ASP A 37 -3.994 -4.704 6.629 1.00 1.41 O ATOM 0 H ASP A 37 -4.441 -3.018 7.843 1.00 64.12 H new ATOM 0 HA ASP A 37 -5.567 -1.164 5.823 1.00 4.24 H new ATOM 0 HB2 ASP A 37 -5.965 -3.249 4.481 1.00 54.32 H new ATOM 0 HB3 ASP A 37 -4.270 -2.859 4.701 1.00 54.32 H new ATOM 607 N SER A 38 -7.252 -1.854 7.981 1.00 51.21 N ATOM 608 CA SER A 38 -8.545 -2.066 8.622 1.00 51.52 C ATOM 609 C SER A 38 -9.461 -0.864 8.408 1.00 24.25 C ATOM 610 O SER A 38 -10.638 -1.016 8.082 1.00 62.23 O ATOM 611 CB SER A 38 -8.361 -2.320 10.119 1.00 14.32 C ATOM 612 OG SER A 38 -8.578 -3.684 10.436 1.00 44.13 O ATOM 0 H SER A 38 -6.634 -1.213 8.480 1.00 51.21 H new ATOM 0 HA SER A 38 -9.009 -2.941 8.167 1.00 51.52 H new ATOM 0 HB2 SER A 38 -7.354 -2.030 10.419 1.00 14.32 H new ATOM 0 HB3 SER A 38 -9.054 -1.697 10.684 1.00 14.32 H new ATOM 0 HG SER A 38 -8.453 -3.820 11.398 1.00 44.13 H new ATOM 618 N LYS A 39 -8.911 0.331 8.593 1.00 34.43 N ATOM 619 CA LYS A 39 -9.675 1.561 8.420 1.00 32.40 C ATOM 620 C LYS A 39 -9.868 1.878 6.940 1.00 31.24 C ATOM 621 O LYS A 39 -9.056 1.487 6.102 1.00 24.42 O ATOM 622 CB LYS A 39 -8.969 2.727 9.115 1.00 14.21 C ATOM 623 CG LYS A 39 -9.507 3.023 10.504 1.00 70.32 C ATOM 624 CD LYS A 39 -10.661 4.011 10.457 1.00 42.05 C ATOM 625 CE LYS A 39 -10.518 5.088 11.522 1.00 0.45 C ATOM 626 NZ LYS A 39 -11.704 5.986 11.566 1.00 70.34 N ATOM 0 H LYS A 39 -7.938 0.474 8.863 1.00 34.43 H new ATOM 0 HA LYS A 39 -10.656 1.417 8.873 1.00 32.40 H new ATOM 0 HB2 LYS A 39 -7.904 2.505 9.187 1.00 14.21 H new ATOM 0 HB3 LYS A 39 -9.068 3.620 8.498 1.00 14.21 H new ATOM 0 HG2 LYS A 39 -9.839 2.096 10.971 1.00 70.32 H new ATOM 0 HG3 LYS A 39 -8.708 3.425 11.127 1.00 70.32 H new ATOM 0 HD2 LYS A 39 -10.703 4.476 9.472 1.00 42.05 H new ATOM 0 HD3 LYS A 39 -11.602 3.480 10.600 1.00 42.05 H new ATOM 0 HE2 LYS A 39 -10.381 4.619 12.496 1.00 0.45 H new ATOM 0 HE3 LYS A 39 -9.623 5.678 11.324 1.00 0.45 H new ATOM 0 HZ1 LYS A 39 -11.567 6.706 12.304 1.00 70.34 H new ATOM 0 HZ2 LYS A 39 -11.820 6.453 10.644 1.00 70.34 H new ATOM 0 HZ3 LYS A 39 -12.555 5.427 11.780 1.00 70.34 H new ATOM 640 N SER A 40 -10.945 2.590 6.628 1.00 72.52 N ATOM 641 CA SER A 40 -11.245 2.958 5.249 1.00 52.32 C ATOM 642 C SER A 40 -9.962 3.219 4.465 1.00 32.02 C ATOM 643 O SER A 40 -9.759 2.664 3.385 1.00 1.32 O ATOM 644 CB SER A 40 -12.139 4.199 5.212 1.00 32.54 C ATOM 645 OG SER A 40 -12.722 4.370 3.932 1.00 41.30 O ATOM 0 H SER A 40 -11.625 2.924 7.311 1.00 72.52 H new ATOM 0 HA SER A 40 -11.772 2.125 4.784 1.00 52.32 H new ATOM 0 HB2 SER A 40 -12.924 4.108 5.963 1.00 32.54 H new ATOM 0 HB3 SER A 40 -11.553 5.081 5.469 1.00 32.54 H new ATOM 0 HG SER A 40 -13.290 5.169 3.935 1.00 41.30 H new ATOM 651 N TRP A 41 -9.102 4.066 5.018 1.00 44.54 N ATOM 652 CA TRP A 41 -7.838 4.401 4.371 1.00 64.32 C ATOM 653 C TRP A 41 -6.777 3.348 4.671 1.00 5.23 C ATOM 654 O TRP A 41 -6.462 3.084 5.831 1.00 24.45 O ATOM 655 CB TRP A 41 -7.354 5.777 4.832 1.00 32.14 C ATOM 656 CG TRP A 41 -8.116 6.911 4.219 1.00 53.33 C ATOM 657 CD1 TRP A 41 -9.402 7.279 4.495 1.00 10.02 C ATOM 658 CD2 TRP A 41 -7.641 7.825 3.224 1.00 0.54 C ATOM 659 NE1 TRP A 41 -9.754 8.366 3.731 1.00 20.41 N ATOM 660 CE2 TRP A 41 -8.691 8.720 2.945 1.00 44.34 C ATOM 661 CE3 TRP A 41 -6.429 7.975 2.544 1.00 2.01 C ATOM 662 CZ2 TRP A 41 -8.564 9.749 2.014 1.00 10.42 C ATOM 663 CZ3 TRP A 41 -6.304 8.995 1.621 1.00 20.21 C ATOM 664 CH2 TRP A 41 -7.367 9.871 1.364 1.00 65.15 C ATOM 0 H TRP A 41 -9.256 4.533 5.912 1.00 44.54 H new ATOM 0 HA TRP A 41 -8.005 4.425 3.294 1.00 64.32 H new ATOM 0 HB2 TRP A 41 -7.436 5.838 5.917 1.00 32.14 H new ATOM 0 HB3 TRP A 41 -6.298 5.884 4.586 1.00 32.14 H new ATOM 0 HD1 TRP A 41 -10.047 6.788 5.208 1.00 10.02 H new ATOM 0 HE1 TRP A 41 -10.661 8.833 3.747 1.00 20.41 H new ATOM 0 HE3 TRP A 41 -5.604 7.305 2.737 1.00 2.01 H new ATOM 0 HZ2 TRP A 41 -9.381 10.426 1.813 1.00 10.42 H new ATOM 0 HZ3 TRP A 41 -5.372 9.119 1.089 1.00 20.21 H new ATOM 0 HH2 TRP A 41 -7.238 10.659 0.637 1.00 65.15 H new ATOM 675 N TRP A 42 -6.229 2.751 3.618 1.00 22.05 N ATOM 676 CA TRP A 42 -5.203 1.726 3.771 1.00 0.31 C ATOM 677 C TRP A 42 -3.851 2.353 4.094 1.00 2.05 C ATOM 678 O TRP A 42 -3.245 3.012 3.249 1.00 52.34 O ATOM 679 CB TRP A 42 -5.098 0.886 2.496 1.00 55.13 C ATOM 680 CG TRP A 42 -5.995 -0.314 2.500 1.00 12.32 C ATOM 681 CD1 TRP A 42 -7.142 -0.478 3.224 1.00 50.44 C ATOM 682 CD2 TRP A 42 -5.819 -1.518 1.745 1.00 35.30 C ATOM 683 NE1 TRP A 42 -7.689 -1.711 2.965 1.00 4.13 N ATOM 684 CE2 TRP A 42 -6.897 -2.368 2.061 1.00 33.03 C ATOM 685 CE3 TRP A 42 -4.857 -1.959 0.834 1.00 25.44 C ATOM 686 CZ2 TRP A 42 -7.037 -3.633 1.497 1.00 43.23 C ATOM 687 CZ3 TRP A 42 -4.997 -3.215 0.274 1.00 4.15 C ATOM 688 CH2 TRP A 42 -6.080 -4.041 0.606 1.00 54.11 C ATOM 0 H TRP A 42 -6.478 2.959 2.651 1.00 22.05 H new ATOM 0 HA TRP A 42 -5.491 1.080 4.601 1.00 0.31 H new ATOM 0 HB2 TRP A 42 -5.343 1.511 1.637 1.00 55.13 H new ATOM 0 HB3 TRP A 42 -4.066 0.559 2.369 1.00 55.13 H new ATOM 0 HD1 TRP A 42 -7.557 0.254 3.900 1.00 50.44 H new ATOM 0 HE1 TRP A 42 -8.546 -2.078 3.379 1.00 4.13 H new ATOM 0 HE3 TRP A 42 -4.019 -1.330 0.572 1.00 25.44 H new ATOM 0 HZ2 TRP A 42 -7.871 -4.270 1.753 1.00 43.23 H new ATOM 0 HZ3 TRP A 42 -4.259 -3.566 -0.432 1.00 4.15 H new ATOM 0 HH2 TRP A 42 -6.161 -5.017 0.151 1.00 54.11 H new ATOM 699 N ARG A 43 -3.383 2.143 5.320 1.00 33.24 N ATOM 700 CA ARG A 43 -2.103 2.689 5.754 1.00 41.24 C ATOM 701 C ARG A 43 -0.946 1.847 5.225 1.00 1.25 C ATOM 702 O ARG A 43 -0.932 0.626 5.379 1.00 14.15 O ATOM 703 CB ARG A 43 -2.044 2.756 7.281 1.00 62.42 C ATOM 704 CG ARG A 43 -0.695 3.202 7.820 1.00 43.23 C ATOM 705 CD ARG A 43 -0.494 2.755 9.259 1.00 75.22 C ATOM 706 NE ARG A 43 0.806 3.167 9.783 1.00 14.44 N ATOM 707 CZ ARG A 43 1.343 2.668 10.892 1.00 20.43 C ATOM 708 NH1 ARG A 43 0.694 1.745 11.589 1.00 63.34 N ATOM 709 NH2 ARG A 43 2.530 3.094 11.305 1.00 24.15 N ATOM 0 H ARG A 43 -3.872 1.598 6.031 1.00 33.24 H new ATOM 0 HA ARG A 43 -2.010 3.697 5.350 1.00 41.24 H new ATOM 0 HB2 ARG A 43 -2.812 3.443 7.636 1.00 62.42 H new ATOM 0 HB3 ARG A 43 -2.282 1.773 7.689 1.00 62.42 H new ATOM 0 HG2 ARG A 43 0.100 2.793 7.197 1.00 43.23 H new ATOM 0 HG3 ARG A 43 -0.620 4.288 7.761 1.00 43.23 H new ATOM 0 HD2 ARG A 43 -1.285 3.172 9.882 1.00 75.22 H new ATOM 0 HD3 ARG A 43 -0.581 1.670 9.317 1.00 75.22 H new ATOM 0 HE ARG A 43 1.330 3.876 9.270 1.00 14.44 H new ATOM 0 HH11 ARG A 43 -0.219 1.417 11.274 1.00 63.34 H new ATOM 0 HH12 ARG A 43 1.108 1.363 12.440 1.00 63.34 H new ATOM 0 HH21 ARG A 43 3.031 3.805 10.771 1.00 24.15 H new ATOM 0 HH22 ARG A 43 2.942 2.711 12.156 1.00 24.15 H new ATOM 723 N VAL A 44 0.024 2.509 4.602 1.00 4.43 N ATOM 724 CA VAL A 44 1.187 1.821 4.051 1.00 34.32 C ATOM 725 C VAL A 44 2.474 2.564 4.388 1.00 4.00 C ATOM 726 O VAL A 44 2.442 3.673 4.921 1.00 12.35 O ATOM 727 CB VAL A 44 1.077 1.671 2.522 1.00 14.44 C ATOM 728 CG1 VAL A 44 -0.256 1.048 2.140 1.00 10.12 C ATOM 729 CG2 VAL A 44 1.261 3.020 1.841 1.00 25.35 C ATOM 0 H VAL A 44 0.028 3.520 4.466 1.00 4.43 H new ATOM 0 HA VAL A 44 1.214 0.830 4.504 1.00 34.32 H new ATOM 0 HB VAL A 44 1.871 1.006 2.181 1.00 14.44 H new ATOM 0 HG11 VAL A 44 -0.315 0.950 1.056 1.00 10.12 H new ATOM 0 HG12 VAL A 44 -0.342 0.063 2.598 1.00 10.12 H new ATOM 0 HG13 VAL A 44 -1.069 1.684 2.492 1.00 10.12 H new ATOM 0 HG21 VAL A 44 1.180 2.896 0.761 1.00 25.35 H new ATOM 0 HG22 VAL A 44 0.491 3.710 2.186 1.00 25.35 H new ATOM 0 HG23 VAL A 44 2.244 3.421 2.088 1.00 25.35 H new ATOM 739 N ARG A 45 3.608 1.945 4.072 1.00 14.15 N ATOM 740 CA ARG A 45 4.908 2.547 4.342 1.00 70.51 C ATOM 741 C ARG A 45 5.708 2.713 3.053 1.00 32.14 C ATOM 742 O ARG A 45 5.471 2.012 2.070 1.00 42.51 O ATOM 743 CB ARG A 45 5.693 1.691 5.337 1.00 44.44 C ATOM 744 CG ARG A 45 6.585 2.500 6.265 1.00 3.14 C ATOM 745 CD ARG A 45 7.501 1.601 7.081 1.00 23.30 C ATOM 746 NE ARG A 45 8.754 1.319 6.385 1.00 64.53 N ATOM 747 CZ ARG A 45 9.739 0.599 6.907 1.00 35.05 C ATOM 748 NH1 ARG A 45 9.618 0.088 8.125 1.00 73.41 N ATOM 749 NH2 ARG A 45 10.849 0.386 6.211 1.00 35.52 N ATOM 0 H ARG A 45 3.652 1.027 3.629 1.00 14.15 H new ATOM 0 HA ARG A 45 4.742 3.533 4.775 1.00 70.51 H new ATOM 0 HB2 ARG A 45 4.992 1.110 5.936 1.00 44.44 H new ATOM 0 HB3 ARG A 45 6.307 0.979 4.786 1.00 44.44 H new ATOM 0 HG2 ARG A 45 7.185 3.197 5.679 1.00 3.14 H new ATOM 0 HG3 ARG A 45 5.967 3.097 6.936 1.00 3.14 H new ATOM 0 HD2 ARG A 45 7.717 2.076 8.038 1.00 23.30 H new ATOM 0 HD3 ARG A 45 6.989 0.664 7.299 1.00 23.30 H new ATOM 0 HE ARG A 45 8.879 1.696 5.446 1.00 64.53 H new ATOM 0 HH11 ARG A 45 8.766 0.248 8.663 1.00 73.41 H new ATOM 0 HH12 ARG A 45 10.377 -0.465 8.524 1.00 73.41 H new ATOM 0 HH21 ARG A 45 10.946 0.776 5.273 1.00 35.52 H new ATOM 0 HH22 ARG A 45 11.605 -0.168 6.614 1.00 35.52 H new ATOM 763 N ASN A 46 6.655 3.645 3.067 1.00 23.30 N ATOM 764 CA ASN A 46 7.489 3.904 1.899 1.00 3.32 C ATOM 765 C ASN A 46 8.938 3.507 2.167 1.00 44.40 C ATOM 766 O ASN A 46 9.319 3.241 3.307 1.00 33.30 O ATOM 767 CB ASN A 46 7.417 5.381 1.512 1.00 54.34 C ATOM 768 CG ASN A 46 7.790 5.619 0.061 1.00 14.54 C ATOM 769 OD1 ASN A 46 8.946 5.457 -0.328 1.00 50.23 O ATOM 770 ND2 ASN A 46 6.809 6.004 -0.746 1.00 22.33 N ATOM 0 H ASN A 46 6.864 4.233 3.874 1.00 23.30 H new ATOM 0 HA ASN A 46 7.112 3.301 1.073 1.00 3.32 H new ATOM 0 HB2 ASN A 46 6.407 5.751 1.690 1.00 54.34 H new ATOM 0 HB3 ASN A 46 8.085 5.955 2.155 1.00 54.34 H new ATOM 0 HD21 ASN A 46 6.999 6.178 -1.733 1.00 22.33 H new ATOM 0 HD22 ASN A 46 5.865 6.126 -0.379 1.00 22.33 H new ATOM 777 N SER A 47 9.741 3.469 1.108 1.00 21.34 N ATOM 778 CA SER A 47 11.147 3.101 1.228 1.00 13.42 C ATOM 779 C SER A 47 11.901 4.112 2.086 1.00 13.22 C ATOM 780 O SER A 47 12.954 3.805 2.647 1.00 23.41 O ATOM 781 CB SER A 47 11.792 3.009 -0.156 1.00 63.42 C ATOM 782 OG SER A 47 12.096 4.297 -0.665 1.00 34.25 O ATOM 0 H SER A 47 9.442 3.688 0.158 1.00 21.34 H new ATOM 0 HA SER A 47 11.202 2.126 1.712 1.00 13.42 H new ATOM 0 HB2 SER A 47 12.703 2.414 -0.097 1.00 63.42 H new ATOM 0 HB3 SER A 47 11.118 2.494 -0.841 1.00 63.42 H new ATOM 0 HG SER A 47 12.509 4.210 -1.550 1.00 34.25 H new ATOM 788 N MET A 48 11.356 5.320 2.184 1.00 11.13 N ATOM 789 CA MET A 48 11.977 6.377 2.975 1.00 70.42 C ATOM 790 C MET A 48 11.661 6.203 4.457 1.00 15.53 C ATOM 791 O MET A 48 11.926 7.092 5.266 1.00 3.22 O ATOM 792 CB MET A 48 11.497 7.749 2.497 1.00 73.40 C ATOM 793 CG MET A 48 12.204 8.238 1.245 1.00 43.33 C ATOM 794 SD MET A 48 13.647 9.255 1.614 1.00 13.50 S ATOM 795 CE MET A 48 14.955 8.034 1.525 1.00 32.44 C ATOM 0 H MET A 48 10.486 5.592 1.726 1.00 11.13 H new ATOM 0 HA MET A 48 13.057 6.311 2.841 1.00 70.42 H new ATOM 0 HB2 MET A 48 10.425 7.703 2.304 1.00 73.40 H new ATOM 0 HB3 MET A 48 11.646 8.475 3.296 1.00 73.40 H new ATOM 0 HG2 MET A 48 12.512 7.380 0.648 1.00 43.33 H new ATOM 0 HG3 MET A 48 11.504 8.813 0.639 1.00 43.33 H new ATOM 0 HE1 MET A 48 15.906 8.533 1.339 1.00 32.44 H new ATOM 0 HE2 MET A 48 15.009 7.489 2.467 1.00 32.44 H new ATOM 0 HE3 MET A 48 14.747 7.336 0.714 1.00 32.44 H new ATOM 805 N ASN A 49 11.095 5.052 4.806 1.00 34.33 N ATOM 806 CA ASN A 49 10.743 4.763 6.192 1.00 3.25 C ATOM 807 C ASN A 49 9.504 5.545 6.613 1.00 53.11 C ATOM 808 O ASN A 49 8.996 5.376 7.722 1.00 3.21 O ATOM 809 CB ASN A 49 11.914 5.100 7.118 1.00 22.01 C ATOM 810 CG ASN A 49 11.542 6.129 8.167 1.00 0.40 C ATOM 811 OD1 ASN A 49 11.687 5.889 9.366 1.00 75.35 O ATOM 812 ND2 ASN A 49 11.060 7.283 7.720 1.00 22.41 N ATOM 0 H ASN A 49 10.870 4.305 4.149 1.00 34.33 H new ATOM 0 HA ASN A 49 10.522 3.699 6.271 1.00 3.25 H new ATOM 0 HB2 ASN A 49 12.258 4.190 7.611 1.00 22.01 H new ATOM 0 HB3 ASN A 49 12.747 5.475 6.524 1.00 22.01 H new ATOM 0 HD21 ASN A 49 10.793 8.014 8.380 1.00 22.41 H new ATOM 0 HD22 ASN A 49 10.957 7.438 6.717 1.00 22.41 H new ATOM 819 N LYS A 50 9.021 6.404 5.721 1.00 10.53 N ATOM 820 CA LYS A 50 7.840 7.213 5.999 1.00 1.42 C ATOM 821 C LYS A 50 6.572 6.369 5.922 1.00 44.21 C ATOM 822 O LYS A 50 6.551 5.317 5.280 1.00 74.02 O ATOM 823 CB LYS A 50 7.751 8.377 5.010 1.00 41.25 C ATOM 824 CG LYS A 50 9.068 9.107 4.809 1.00 52.32 C ATOM 825 CD LYS A 50 9.102 9.841 3.479 1.00 61.12 C ATOM 826 CE LYS A 50 8.853 11.331 3.659 1.00 61.25 C ATOM 827 NZ LYS A 50 8.021 11.891 2.558 1.00 64.41 N ATOM 0 H LYS A 50 9.430 6.558 4.799 1.00 10.53 H new ATOM 0 HA LYS A 50 7.931 7.609 7.010 1.00 1.42 H new ATOM 0 HB2 LYS A 50 7.404 8.000 4.048 1.00 41.25 H new ATOM 0 HB3 LYS A 50 7.002 9.086 5.363 1.00 41.25 H new ATOM 0 HG2 LYS A 50 9.219 9.818 5.622 1.00 52.32 H new ATOM 0 HG3 LYS A 50 9.891 8.393 4.853 1.00 52.32 H new ATOM 0 HD2 LYS A 50 10.070 9.688 3.002 1.00 61.12 H new ATOM 0 HD3 LYS A 50 8.348 9.423 2.812 1.00 61.12 H new ATOM 0 HE2 LYS A 50 8.356 11.503 4.614 1.00 61.25 H new ATOM 0 HE3 LYS A 50 9.807 11.857 3.697 1.00 61.25 H new ATOM 0 HZ1 LYS A 50 7.874 12.908 2.717 1.00 64.41 H new ATOM 0 HZ2 LYS A 50 8.507 11.749 1.649 1.00 64.41 H new ATOM 0 HZ3 LYS A 50 7.101 11.407 2.538 1.00 64.41 H new ATOM 841 N THR A 51 5.515 6.836 6.579 1.00 11.52 N ATOM 842 CA THR A 51 4.243 6.124 6.584 1.00 55.02 C ATOM 843 C THR A 51 3.071 7.092 6.468 1.00 4.21 C ATOM 844 O THR A 51 3.133 8.219 6.957 1.00 3.22 O ATOM 845 CB THR A 51 4.075 5.284 7.865 1.00 20.12 C ATOM 846 OG1 THR A 51 5.357 4.873 8.352 1.00 23.03 O ATOM 847 CG2 THR A 51 3.211 4.061 7.600 1.00 71.34 C ATOM 0 H THR A 51 5.515 7.704 7.114 1.00 11.52 H new ATOM 0 HA THR A 51 4.249 5.459 5.720 1.00 55.02 H new ATOM 0 HB THR A 51 3.582 5.901 8.616 1.00 20.12 H new ATOM 0 HG1 THR A 51 5.242 4.341 9.167 1.00 23.03 H new ATOM 0 HG21 THR A 51 3.106 3.483 8.518 1.00 71.34 H new ATOM 0 HG22 THR A 51 2.226 4.379 7.257 1.00 71.34 H new ATOM 0 HG23 THR A 51 3.680 3.443 6.834 1.00 71.34 H new ATOM 855 N GLY A 52 2.002 6.644 5.817 1.00 41.30 N ATOM 856 CA GLY A 52 0.831 7.483 5.648 1.00 71.11 C ATOM 857 C GLY A 52 -0.397 6.691 5.246 1.00 62.51 C ATOM 858 O GLY A 52 -0.315 5.488 4.998 1.00 33.04 O ATOM 0 H GLY A 52 1.926 5.715 5.404 1.00 41.30 H new ATOM 0 HA2 GLY A 52 0.629 8.012 6.580 1.00 71.11 H new ATOM 0 HA3 GLY A 52 1.036 8.239 4.890 1.00 71.11 H new ATOM 862 N PHE A 53 -1.541 7.366 5.182 1.00 2.51 N ATOM 863 CA PHE A 53 -2.792 6.716 4.810 1.00 43.02 C ATOM 864 C PHE A 53 -3.115 6.960 3.338 1.00 31.43 C ATOM 865 O PHE A 53 -3.037 8.088 2.853 1.00 55.00 O ATOM 866 CB PHE A 53 -3.937 7.227 5.687 1.00 32.51 C ATOM 867 CG PHE A 53 -4.192 6.375 6.897 1.00 43.02 C ATOM 868 CD1 PHE A 53 -4.767 5.120 6.767 1.00 15.42 C ATOM 869 CD2 PHE A 53 -3.858 6.827 8.163 1.00 51.12 C ATOM 870 CE1 PHE A 53 -5.004 4.334 7.880 1.00 41.40 C ATOM 871 CE2 PHE A 53 -4.092 6.046 9.278 1.00 4.30 C ATOM 872 CZ PHE A 53 -4.664 4.797 9.136 1.00 1.11 C ATOM 0 H PHE A 53 -1.627 8.362 5.383 1.00 2.51 H new ATOM 0 HA PHE A 53 -2.676 5.643 4.965 1.00 43.02 H new ATOM 0 HB2 PHE A 53 -3.711 8.243 6.009 1.00 32.51 H new ATOM 0 HB3 PHE A 53 -4.847 7.277 5.089 1.00 32.51 H new ATOM 0 HD1 PHE A 53 -5.032 4.753 5.787 1.00 15.42 H new ATOM 0 HD2 PHE A 53 -3.409 7.802 8.280 1.00 51.12 H new ATOM 0 HE1 PHE A 53 -5.455 3.359 7.767 1.00 41.40 H new ATOM 0 HE2 PHE A 53 -3.828 6.412 10.259 1.00 4.30 H new ATOM 0 HZ PHE A 53 -4.845 4.183 10.006 1.00 1.11 H new ATOM 882 N VAL A 54 -3.478 5.893 2.633 1.00 74.03 N ATOM 883 CA VAL A 54 -3.813 5.990 1.217 1.00 15.23 C ATOM 884 C VAL A 54 -4.972 5.065 0.863 1.00 0.54 C ATOM 885 O VAL A 54 -5.178 4.021 1.483 1.00 74.03 O ATOM 886 CB VAL A 54 -2.603 5.643 0.330 1.00 64.55 C ATOM 887 CG1 VAL A 54 -1.404 6.501 0.703 1.00 45.34 C ATOM 888 CG2 VAL A 54 -2.267 4.165 0.442 1.00 2.25 C ATOM 0 H VAL A 54 -3.548 4.952 3.019 1.00 74.03 H new ATOM 0 HA VAL A 54 -4.106 7.023 1.030 1.00 15.23 H new ATOM 0 HB VAL A 54 -2.862 5.855 -0.707 1.00 64.55 H new ATOM 0 HG11 VAL A 54 -0.559 6.242 0.066 1.00 45.34 H new ATOM 0 HG12 VAL A 54 -1.653 7.553 0.565 1.00 45.34 H new ATOM 0 HG13 VAL A 54 -1.140 6.324 1.746 1.00 45.34 H new ATOM 0 HG21 VAL A 54 -1.410 3.938 -0.191 1.00 2.25 H new ATOM 0 HG22 VAL A 54 -2.027 3.924 1.478 1.00 2.25 H new ATOM 0 HG23 VAL A 54 -3.123 3.572 0.120 1.00 2.25 H new ATOM 898 N PRO A 55 -5.748 5.455 -0.159 1.00 24.12 N ATOM 899 CA PRO A 55 -6.899 4.674 -0.621 1.00 24.32 C ATOM 900 C PRO A 55 -6.483 3.375 -1.304 1.00 15.33 C ATOM 901 O PRO A 55 -5.331 3.216 -1.708 1.00 60.45 O ATOM 902 CB PRO A 55 -7.584 5.608 -1.622 1.00 0.54 C ATOM 903 CG PRO A 55 -6.496 6.504 -2.106 1.00 62.33 C ATOM 904 CD PRO A 55 -5.560 6.686 -0.943 1.00 63.11 C ATOM 0 HA PRO A 55 -7.541 4.368 0.205 1.00 24.32 H new ATOM 0 HB2 PRO A 55 -8.032 5.049 -2.444 1.00 0.54 H new ATOM 0 HB3 PRO A 55 -8.385 6.177 -1.150 1.00 0.54 H new ATOM 0 HG2 PRO A 55 -5.978 6.064 -2.958 1.00 62.33 H new ATOM 0 HG3 PRO A 55 -6.898 7.462 -2.437 1.00 62.33 H new ATOM 0 HD2 PRO A 55 -4.527 6.799 -1.272 1.00 63.11 H new ATOM 0 HD3 PRO A 55 -5.808 7.574 -0.362 1.00 63.11 H new ATOM 912 N SER A 56 -7.428 2.447 -1.427 1.00 50.35 N ATOM 913 CA SER A 56 -7.158 1.160 -2.057 1.00 71.15 C ATOM 914 C SER A 56 -7.565 1.180 -3.527 1.00 43.33 C ATOM 915 O SER A 56 -7.880 0.144 -4.109 1.00 25.14 O ATOM 916 CB SER A 56 -7.903 0.043 -1.325 1.00 54.44 C ATOM 917 OG SER A 56 -9.286 0.066 -1.632 1.00 72.43 O ATOM 0 H SER A 56 -8.387 2.563 -1.099 1.00 50.35 H new ATOM 0 HA SER A 56 -6.086 0.971 -1.997 1.00 71.15 H new ATOM 0 HB2 SER A 56 -7.481 -0.923 -1.604 1.00 54.44 H new ATOM 0 HB3 SER A 56 -7.764 0.153 -0.249 1.00 54.44 H new ATOM 0 HG SER A 56 -9.740 -0.659 -1.153 1.00 72.43 H new ATOM 923 N ASN A 57 -7.555 2.369 -4.123 1.00 34.03 N ATOM 924 CA ASN A 57 -7.924 2.525 -5.524 1.00 43.42 C ATOM 925 C ASN A 57 -6.682 2.594 -6.409 1.00 64.32 C ATOM 926 O ASN A 57 -6.731 2.258 -7.593 1.00 2.23 O ATOM 927 CB ASN A 57 -8.770 3.785 -5.714 1.00 13.43 C ATOM 928 CG ASN A 57 -8.964 4.137 -7.177 1.00 34.04 C ATOM 929 OD1 ASN A 57 -8.113 4.780 -7.790 1.00 12.40 O ATOM 930 ND2 ASN A 57 -10.090 3.716 -7.741 1.00 20.34 N ATOM 0 H ASN A 57 -7.295 3.238 -3.656 1.00 34.03 H new ATOM 0 HA ASN A 57 -8.511 1.655 -5.818 1.00 43.42 H new ATOM 0 HB2 ASN A 57 -9.744 3.639 -5.246 1.00 13.43 H new ATOM 0 HB3 ASN A 57 -8.292 4.621 -5.202 1.00 13.43 H new ATOM 0 HD21 ASN A 57 -10.277 3.923 -8.722 1.00 20.34 H new ATOM 0 HD22 ASN A 57 -10.767 3.185 -7.193 1.00 20.34 H new ATOM 937 N TYR A 58 -5.572 3.032 -5.827 1.00 52.44 N ATOM 938 CA TYR A 58 -4.318 3.148 -6.562 1.00 13.41 C ATOM 939 C TYR A 58 -3.366 2.013 -6.197 1.00 32.45 C ATOM 940 O TYR A 58 -2.508 1.627 -6.991 1.00 30.20 O ATOM 941 CB TYR A 58 -3.656 4.496 -6.273 1.00 42.05 C ATOM 942 CG TYR A 58 -4.548 5.683 -6.561 1.00 20.03 C ATOM 943 CD1 TYR A 58 -5.627 5.982 -5.738 1.00 12.35 C ATOM 944 CD2 TYR A 58 -4.311 6.506 -7.655 1.00 32.52 C ATOM 945 CE1 TYR A 58 -6.445 7.063 -5.997 1.00 73.03 C ATOM 946 CE2 TYR A 58 -5.124 7.592 -7.921 1.00 1.13 C ATOM 947 CZ TYR A 58 -6.190 7.866 -7.090 1.00 2.45 C ATOM 948 OH TYR A 58 -7.001 8.946 -7.350 1.00 4.20 O ATOM 0 H TYR A 58 -5.515 3.313 -4.848 1.00 52.44 H new ATOM 0 HA TYR A 58 -4.543 3.082 -7.627 1.00 13.41 H new ATOM 0 HB2 TYR A 58 -3.353 4.525 -5.226 1.00 42.05 H new ATOM 0 HB3 TYR A 58 -2.748 4.581 -6.870 1.00 42.05 H new ATOM 0 HD1 TYR A 58 -5.829 5.357 -4.880 1.00 12.35 H new ATOM 0 HD2 TYR A 58 -3.478 6.294 -8.308 1.00 32.52 H new ATOM 0 HE1 TYR A 58 -7.280 7.279 -5.348 1.00 73.03 H new ATOM 0 HE2 TYR A 58 -4.925 8.223 -8.775 1.00 1.13 H new ATOM 0 HH TYR A 58 -6.684 9.407 -8.155 1.00 4.20 H new ATOM 958 N VAL A 59 -3.524 1.482 -4.989 1.00 72.32 N ATOM 959 CA VAL A 59 -2.682 0.390 -4.517 1.00 42.23 C ATOM 960 C VAL A 59 -3.461 -0.919 -4.454 1.00 12.01 C ATOM 961 O VAL A 59 -4.688 -0.926 -4.545 1.00 14.23 O ATOM 962 CB VAL A 59 -2.096 0.694 -3.126 1.00 3.22 C ATOM 963 CG1 VAL A 59 -1.328 2.007 -3.144 1.00 45.10 C ATOM 964 CG2 VAL A 59 -3.199 0.727 -2.079 1.00 1.24 C ATOM 0 H VAL A 59 -4.228 1.791 -4.319 1.00 72.32 H new ATOM 0 HA VAL A 59 -1.866 0.288 -5.233 1.00 42.23 H new ATOM 0 HB VAL A 59 -1.400 -0.102 -2.863 1.00 3.22 H new ATOM 0 HG11 VAL A 59 -0.922 2.204 -2.152 1.00 45.10 H new ATOM 0 HG12 VAL A 59 -0.512 1.942 -3.864 1.00 45.10 H new ATOM 0 HG13 VAL A 59 -1.999 2.817 -3.429 1.00 45.10 H new ATOM 0 HG21 VAL A 59 -2.767 0.943 -1.102 1.00 1.24 H new ATOM 0 HG22 VAL A 59 -3.921 1.502 -2.336 1.00 1.24 H new ATOM 0 HG23 VAL A 59 -3.700 -0.240 -2.048 1.00 1.24 H new ATOM 974 N GLU A 60 -2.740 -2.024 -4.297 1.00 34.00 N ATOM 975 CA GLU A 60 -3.366 -3.339 -4.221 1.00 12.42 C ATOM 976 C GLU A 60 -2.402 -4.367 -3.634 1.00 73.23 C ATOM 977 O GLU A 60 -1.241 -4.444 -4.032 1.00 41.14 O ATOM 978 CB GLU A 60 -3.825 -3.790 -5.609 1.00 52.12 C ATOM 979 CG GLU A 60 -5.150 -4.534 -5.599 1.00 70.45 C ATOM 980 CD GLU A 60 -6.132 -3.990 -6.619 1.00 63.54 C ATOM 981 OE1 GLU A 60 -5.735 -3.819 -7.792 1.00 32.14 O ATOM 982 OE2 GLU A 60 -7.296 -3.735 -6.247 1.00 15.13 O ATOM 0 H GLU A 60 -1.723 -2.035 -4.220 1.00 34.00 H new ATOM 0 HA GLU A 60 -4.234 -3.263 -3.565 1.00 12.42 H new ATOM 0 HB2 GLU A 60 -3.913 -2.917 -6.255 1.00 52.12 H new ATOM 0 HB3 GLU A 60 -3.060 -4.433 -6.045 1.00 52.12 H new ATOM 0 HG2 GLU A 60 -4.971 -5.590 -5.800 1.00 70.45 H new ATOM 0 HG3 GLU A 60 -5.591 -4.469 -4.605 1.00 70.45 H new ATOM 990 N ARG A 61 -2.895 -5.154 -2.683 1.00 20.13 N ATOM 991 CA ARG A 61 -2.078 -6.177 -2.039 1.00 60.14 C ATOM 992 C ARG A 61 -1.666 -7.253 -3.038 1.00 62.33 C ATOM 993 O ARG A 61 -2.449 -7.645 -3.905 1.00 55.42 O ATOM 994 CB ARG A 61 -2.842 -6.811 -0.876 1.00 22.15 C ATOM 995 CG ARG A 61 -4.211 -7.347 -1.265 1.00 62.44 C ATOM 996 CD ARG A 61 -4.712 -8.376 -0.265 1.00 23.21 C ATOM 997 NE ARG A 61 -4.029 -9.658 -0.411 1.00 2.25 N ATOM 998 CZ ARG A 61 -4.275 -10.515 -1.396 1.00 21.01 C ATOM 999 NH1 ARG A 61 -5.183 -10.226 -2.318 1.00 43.40 N ATOM 1000 NH2 ARG A 61 -3.611 -11.662 -1.460 1.00 35.41 N ATOM 0 H ARG A 61 -3.855 -5.103 -2.341 1.00 20.13 H new ATOM 0 HA ARG A 61 -1.177 -5.699 -1.656 1.00 60.14 H new ATOM 0 HB2 ARG A 61 -2.247 -7.625 -0.462 1.00 22.15 H new ATOM 0 HB3 ARG A 61 -2.963 -6.071 -0.085 1.00 22.15 H new ATOM 0 HG2 ARG A 61 -4.921 -6.523 -1.327 1.00 62.44 H new ATOM 0 HG3 ARG A 61 -4.158 -7.797 -2.256 1.00 62.44 H new ATOM 0 HD2 ARG A 61 -4.564 -8.000 0.747 1.00 23.21 H new ATOM 0 HD3 ARG A 61 -5.784 -8.519 -0.398 1.00 23.21 H new ATOM 0 HE ARG A 61 -3.324 -9.910 0.282 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -5.694 -9.344 -2.272 1.00 43.40 H new ATOM 0 HH12 ARG A 61 -5.370 -10.885 -3.073 1.00 43.40 H new ATOM 0 HH21 ARG A 61 -2.911 -11.886 -0.753 1.00 35.41 H new ATOM 0 HH22 ARG A 61 -3.800 -12.319 -2.217 1.00 35.41 H new ATOM 1014 N LYS A 62 -0.432 -7.727 -2.914 1.00 12.51 N ATOM 1015 CA LYS A 62 0.086 -8.759 -3.805 1.00 0.43 C ATOM 1016 C LYS A 62 -0.808 -9.994 -3.785 1.00 61.55 C ATOM 1017 O LYS A 62 -1.346 -10.366 -2.744 1.00 31.54 O ATOM 1018 CB LYS A 62 1.512 -9.142 -3.400 1.00 23.33 C ATOM 1019 CG LYS A 62 2.487 -9.174 -4.564 1.00 21.13 C ATOM 1020 CD LYS A 62 2.671 -7.795 -5.174 1.00 51.14 C ATOM 1021 CE LYS A 62 3.065 -7.882 -6.641 1.00 33.10 C ATOM 1022 NZ LYS A 62 3.251 -6.535 -7.247 1.00 61.24 N ATOM 0 H LYS A 62 0.230 -7.413 -2.204 1.00 12.51 H new ATOM 0 HA LYS A 62 0.098 -8.357 -4.818 1.00 0.43 H new ATOM 0 HB2 LYS A 62 1.872 -8.433 -2.655 1.00 23.33 H new ATOM 0 HB3 LYS A 62 1.495 -10.123 -2.924 1.00 23.33 H new ATOM 0 HG2 LYS A 62 3.450 -9.554 -4.223 1.00 21.13 H new ATOM 0 HG3 LYS A 62 2.124 -9.864 -5.325 1.00 21.13 H new ATOM 0 HD2 LYS A 62 1.746 -7.227 -5.078 1.00 51.14 H new ATOM 0 HD3 LYS A 62 3.438 -7.251 -4.622 1.00 51.14 H new ATOM 0 HE2 LYS A 62 3.989 -8.453 -6.736 1.00 33.10 H new ATOM 0 HE3 LYS A 62 2.297 -8.425 -7.192 1.00 33.10 H new ATOM 0 HZ1 LYS A 62 2.587 -6.416 -8.038 1.00 61.24 H new ATOM 0 HZ2 LYS A 62 3.070 -5.804 -6.530 1.00 61.24 H new ATOM 0 HZ3 LYS A 62 4.226 -6.443 -7.597 1.00 61.24 H new ATOM 1036 N ASN A 63 -0.962 -10.626 -4.944 1.00 3.01 N ATOM 1037 CA ASN A 63 -1.792 -11.820 -5.060 1.00 11.43 C ATOM 1038 C ASN A 63 -0.931 -13.079 -5.089 1.00 64.44 C ATOM 1039 O ASN A 63 -1.419 -14.183 -4.847 1.00 33.43 O ATOM 1040 CB ASN A 63 -2.653 -11.748 -6.322 1.00 44.10 C ATOM 1041 CG ASN A 63 -1.886 -12.147 -7.569 1.00 15.23 C ATOM 1042 OD1 ASN A 63 -1.851 -13.320 -7.940 1.00 50.43 O ATOM 1043 ND2 ASN A 63 -1.269 -11.169 -8.222 1.00 52.10 N ATOM 0 H ASN A 63 -0.523 -10.331 -5.816 1.00 3.01 H new ATOM 0 HA ASN A 63 -2.443 -11.866 -4.187 1.00 11.43 H new ATOM 0 HB2 ASN A 63 -3.518 -12.401 -6.206 1.00 44.10 H new ATOM 0 HB3 ASN A 63 -3.033 -10.734 -6.442 1.00 44.10 H new ATOM 0 HD21 ASN A 63 -0.739 -11.376 -9.068 1.00 52.10 H new ATOM 0 HD22 ASN A 63 -1.326 -10.211 -7.877 1.00 52.10 H new ATOM 1050 N SER A 64 0.353 -12.905 -5.388 1.00 0.24 N ATOM 1051 CA SER A 64 1.281 -14.027 -5.452 1.00 1.04 C ATOM 1052 C SER A 64 1.817 -14.370 -4.065 1.00 54.20 C ATOM 1053 O SER A 64 2.899 -13.927 -3.679 1.00 11.43 O ATOM 1054 CB SER A 64 2.442 -13.704 -6.394 1.00 52.33 C ATOM 1055 OG SER A 64 3.301 -14.820 -6.548 1.00 65.04 O ATOM 0 H SER A 64 0.773 -11.998 -5.590 1.00 0.24 H new ATOM 0 HA SER A 64 0.740 -14.891 -5.837 1.00 1.04 H new ATOM 0 HB2 SER A 64 2.052 -13.405 -7.367 1.00 52.33 H new ATOM 0 HB3 SER A 64 3.007 -12.858 -6.003 1.00 52.33 H new ATOM 0 HG SER A 64 4.034 -14.587 -7.156 1.00 65.04 H new ATOM 1061 N ALA A 65 1.052 -15.160 -3.320 1.00 12.13 N ATOM 1062 CA ALA A 65 1.449 -15.563 -1.977 1.00 32.31 C ATOM 1063 C ALA A 65 1.781 -17.051 -1.926 1.00 74.44 C ATOM 1064 O ALA A 65 0.890 -17.891 -1.804 1.00 30.41 O ATOM 1065 CB ALA A 65 0.349 -15.231 -0.979 1.00 2.03 C ATOM 0 H ALA A 65 0.153 -15.534 -3.624 1.00 12.13 H new ATOM 0 HA ALA A 65 2.348 -15.007 -1.708 1.00 32.31 H new ATOM 0 HB1 ALA A 65 0.659 -15.538 0.020 1.00 2.03 H new ATOM 0 HB2 ALA A 65 0.162 -14.157 -0.987 1.00 2.03 H new ATOM 0 HB3 ALA A 65 -0.563 -15.760 -1.254 1.00 2.03 H new ATOM 1071 N ARG A 66 3.068 -17.369 -2.020 1.00 33.33 N ATOM 1072 CA ARG A 66 3.516 -18.755 -1.987 1.00 1.34 C ATOM 1073 C ARG A 66 3.187 -19.402 -0.644 1.00 62.32 C ATOM 1074 O ARG A 66 3.455 -18.831 0.413 1.00 64.11 O ATOM 1075 CB ARG A 66 5.022 -18.833 -2.245 1.00 43.13 C ATOM 1076 CG ARG A 66 5.380 -18.988 -3.714 1.00 3.30 C ATOM 1077 CD ARG A 66 6.885 -18.951 -3.928 1.00 60.22 C ATOM 1078 NE ARG A 66 7.239 -18.392 -5.230 1.00 42.11 N ATOM 1079 CZ ARG A 66 8.434 -17.884 -5.512 1.00 74.31 C ATOM 1080 NH1 ARG A 66 9.384 -17.863 -4.587 1.00 65.32 N ATOM 1081 NH2 ARG A 66 8.680 -17.393 -6.720 1.00 21.35 N ATOM 0 H ARG A 66 3.818 -16.685 -2.120 1.00 33.33 H new ATOM 0 HA ARG A 66 2.990 -19.298 -2.772 1.00 1.34 H new ATOM 0 HB2 ARG A 66 5.496 -17.931 -1.857 1.00 43.13 H new ATOM 0 HB3 ARG A 66 5.435 -19.674 -1.688 1.00 43.13 H new ATOM 0 HG2 ARG A 66 4.981 -19.930 -4.089 1.00 3.30 H new ATOM 0 HG3 ARG A 66 4.910 -18.191 -4.290 1.00 3.30 H new ATOM 0 HD2 ARG A 66 7.349 -18.357 -3.140 1.00 60.22 H new ATOM 0 HD3 ARG A 66 7.288 -19.960 -3.845 1.00 60.22 H new ATOM 0 HE ARG A 66 6.530 -18.392 -5.963 1.00 42.11 H new ATOM 0 HH11 ARG A 66 9.198 -18.237 -3.657 1.00 65.32 H new ATOM 0 HH12 ARG A 66 10.300 -17.473 -4.806 1.00 65.32 H new ATOM 0 HH21 ARG A 66 7.951 -17.405 -7.434 1.00 21.35 H new ATOM 0 HH22 ARG A 66 9.598 -17.003 -6.935 1.00 21.35 H new ATOM 1095 N ALA A 67 2.602 -20.595 -0.695 1.00 14.50 N ATOM 1096 CA ALA A 67 2.238 -21.318 0.517 1.00 62.32 C ATOM 1097 C ALA A 67 3.475 -21.710 1.316 1.00 1.10 C ATOM 1098 O ALA A 67 3.557 -21.454 2.517 1.00 11.34 O ATOM 1099 CB ALA A 67 1.420 -22.553 0.167 1.00 71.43 C ATOM 0 H ALA A 67 2.371 -21.080 -1.562 1.00 14.50 H new ATOM 0 HA ALA A 67 1.633 -20.657 1.137 1.00 62.32 H new ATOM 0 HB1 ALA A 67 1.154 -23.084 1.081 1.00 71.43 H new ATOM 0 HB2 ALA A 67 0.512 -22.252 -0.355 1.00 71.43 H new ATOM 0 HB3 ALA A 67 2.007 -23.208 -0.476 1.00 71.43 H new ATOM 1105 N ALA A 68 4.436 -22.333 0.642 1.00 11.41 N ATOM 1106 CA ALA A 68 5.671 -22.759 1.290 1.00 51.24 C ATOM 1107 C ALA A 68 6.477 -21.559 1.779 1.00 24.52 C ATOM 1108 O ALA A 68 6.921 -21.525 2.926 1.00 53.35 O ATOM 1109 CB ALA A 68 6.504 -23.603 0.337 1.00 63.31 C ATOM 0 H ALA A 68 4.383 -22.554 -0.352 1.00 11.41 H new ATOM 0 HA ALA A 68 5.407 -23.364 2.157 1.00 51.24 H new ATOM 0 HB1 ALA A 68 7.423 -23.914 0.834 1.00 63.31 H new ATOM 0 HB2 ALA A 68 5.936 -24.485 0.040 1.00 63.31 H new ATOM 0 HB3 ALA A 68 6.751 -23.016 -0.548 1.00 63.31 H new ATOM 1115 N ALA A 69 6.661 -20.580 0.901 1.00 54.42 N ATOM 1116 CA ALA A 69 7.412 -19.378 1.244 1.00 21.33 C ATOM 1117 C ALA A 69 6.661 -18.536 2.270 1.00 70.12 C ATOM 1118 O ALA A 69 5.659 -17.899 1.949 1.00 33.11 O ATOM 1119 CB ALA A 69 7.699 -18.559 -0.006 1.00 4.11 C ATOM 0 H ALA A 69 6.301 -20.595 -0.053 1.00 54.42 H new ATOM 0 HA ALA A 69 8.359 -19.686 1.688 1.00 21.33 H new ATOM 0 HB1 ALA A 69 8.260 -17.665 0.266 1.00 4.11 H new ATOM 0 HB2 ALA A 69 8.284 -19.156 -0.706 1.00 4.11 H new ATOM 0 HB3 ALA A 69 6.759 -18.269 -0.475 1.00 4.11 H new ATOM 1125 N ASN A 70 7.153 -18.537 3.505 1.00 64.33 N ATOM 1126 CA ASN A 70 6.527 -17.773 4.577 1.00 22.15 C ATOM 1127 C ASN A 70 7.344 -16.528 4.907 1.00 43.24 C ATOM 1128 O ASN A 70 8.479 -16.623 5.372 1.00 14.34 O ATOM 1129 CB ASN A 70 6.374 -18.642 5.828 1.00 41.14 C ATOM 1130 CG ASN A 70 5.973 -20.067 5.496 1.00 53.12 C ATOM 1131 OD1 ASN A 70 6.757 -21.000 5.669 1.00 70.25 O ATOM 1132 ND2 ASN A 70 4.746 -20.239 5.018 1.00 2.24 N ATOM 0 H ASN A 70 7.983 -19.058 3.787 1.00 64.33 H new ATOM 0 HA ASN A 70 5.540 -17.459 4.237 1.00 22.15 H new ATOM 0 HB2 ASN A 70 7.315 -18.651 6.378 1.00 41.14 H new ATOM 0 HB3 ASN A 70 5.625 -18.200 6.485 1.00 41.14 H new ATOM 0 HD21 ASN A 70 4.419 -21.175 4.778 1.00 2.24 H new ATOM 0 HD22 ASN A 70 4.131 -19.435 4.891 1.00 2.24 H new ATOM 1139 N SER A 71 6.759 -15.360 4.662 1.00 24.51 N ATOM 1140 CA SER A 71 7.433 -14.095 4.929 1.00 24.23 C ATOM 1141 C SER A 71 7.996 -14.069 6.347 1.00 51.03 C ATOM 1142 O SER A 71 7.283 -13.770 7.304 1.00 71.14 O ATOM 1143 CB SER A 71 6.467 -12.926 4.730 1.00 34.43 C ATOM 1144 OG SER A 71 6.771 -12.208 3.547 1.00 1.51 O ATOM 0 H SER A 71 5.819 -15.264 4.279 1.00 24.51 H new ATOM 0 HA SER A 71 8.260 -13.997 4.226 1.00 24.23 H new ATOM 0 HB2 SER A 71 5.444 -13.300 4.679 1.00 34.43 H new ATOM 0 HB3 SER A 71 6.519 -12.257 5.589 1.00 34.43 H new ATOM 0 HG SER A 71 6.138 -11.467 3.442 1.00 1.51 H new ATOM 1150 N SER A 72 9.281 -14.385 6.472 1.00 62.53 N ATOM 1151 CA SER A 72 9.941 -14.401 7.772 1.00 73.40 C ATOM 1152 C SER A 72 11.016 -13.322 7.850 1.00 10.12 C ATOM 1153 O SER A 72 11.780 -13.262 8.811 1.00 2.21 O ATOM 1154 CB SER A 72 10.561 -15.774 8.036 1.00 3.01 C ATOM 1155 OG SER A 72 9.574 -16.792 8.018 1.00 53.22 O ATOM 0 H SER A 72 9.886 -14.633 5.689 1.00 62.53 H new ATOM 0 HA SER A 72 9.190 -14.196 8.535 1.00 73.40 H new ATOM 0 HB2 SER A 72 11.319 -15.985 7.282 1.00 3.01 H new ATOM 0 HB3 SER A 72 11.065 -15.769 9.002 1.00 3.01 H new ATOM 0 HG SER A 72 9.171 -16.841 7.126 1.00 53.22 H new TER 1161 SER A 72