USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 571 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 Single : A 1 MET CE :methyl 161:sc= -0.208 (180deg=-0.83) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.0671 (180deg=-0.0439) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 75:sc= 0.0809 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 17 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.0045) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= 1.93 (180deg=1.91) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.819 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.812 K(o=-0.81,f=-6!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.62) USER MOD Single : A 49 HIS : no HE2:sc= 0.663 K(o=0.66,f=-3.3!) USER MOD Single : A 56 LYS NZ :NH3+ 150:sc= 1.16 (180deg=0.564) USER MOD Single : A 58 ASN : amide:sc= -0.477 X(o=-0.48,f=-0.96) USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= -0.0156 (180deg=-0.169) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.878 5.741 5.211 1.00 44.21 N ATOM 2 CA MET A 1 -17.145 4.275 5.172 1.00 3.11 C ATOM 3 C MET A 1 -15.853 3.471 4.988 1.00 44.54 C ATOM 4 O MET A 1 -14.800 4.028 4.683 1.00 33.54 O ATOM 5 CB MET A 1 -18.109 3.937 4.024 1.00 21.04 C ATOM 6 CG MET A 1 -19.527 4.453 4.210 1.00 50.11 C ATOM 7 SD MET A 1 -20.567 4.118 2.772 1.00 51.51 S ATOM 8 CE MET A 1 -20.341 2.349 2.583 1.00 53.24 C ATOM 0 H1 MET A 1 -17.153 6.119 6.140 1.00 44.21 H new ATOM 0 H2 MET A 1 -15.865 5.914 5.053 1.00 44.21 H new ATOM 0 H3 MET A 1 -17.430 6.214 4.467 1.00 44.21 H new ATOM 0 HA MET A 1 -17.594 4.003 6.128 1.00 3.11 H new ATOM 0 HB2 MET A 1 -17.707 4.347 3.098 1.00 21.04 H new ATOM 0 HB3 MET A 1 -18.144 2.854 3.905 1.00 21.04 H new ATOM 0 HG2 MET A 1 -19.968 3.989 5.092 1.00 50.11 H new ATOM 0 HG3 MET A 1 -19.500 5.527 4.395 1.00 50.11 H new ATOM 0 HE1 MET A 1 -21.151 1.941 1.978 1.00 53.24 H new ATOM 0 HE2 MET A 1 -19.388 2.154 2.092 1.00 53.24 H new ATOM 0 HE3 MET A 1 -20.347 1.875 3.564 1.00 53.24 H new ATOM 20 N SER A 2 -15.942 2.155 5.180 1.00 73.42 N ATOM 21 CA SER A 2 -14.824 1.247 4.881 1.00 14.21 C ATOM 22 C SER A 2 -14.793 0.937 3.380 1.00 3.33 C ATOM 23 O SER A 2 -13.741 0.994 2.738 1.00 22.43 O ATOM 24 CB SER A 2 -14.949 -0.049 5.697 1.00 72.43 C ATOM 25 OG SER A 2 -14.861 0.211 7.091 1.00 24.54 O ATOM 0 H SER A 2 -16.775 1.690 5.541 1.00 73.42 H new ATOM 0 HA SER A 2 -13.890 1.734 5.160 1.00 14.21 H new ATOM 0 HB2 SER A 2 -15.900 -0.532 5.474 1.00 72.43 H new ATOM 0 HB3 SER A 2 -14.162 -0.744 5.404 1.00 72.43 H new ATOM 0 HG SER A 2 -14.945 -0.630 7.587 1.00 24.54 H new ATOM 31 N GLU A 3 -15.961 0.591 2.837 1.00 1.35 N ATOM 32 CA GLU A 3 -16.182 0.530 1.385 1.00 53.11 C ATOM 33 C GLU A 3 -15.247 -0.474 0.669 1.00 23.21 C ATOM 34 O GLU A 3 -15.045 -0.397 -0.548 1.00 53.12 O ATOM 35 CB GLU A 3 -16.021 1.950 0.811 1.00 4.13 C ATOM 36 CG GLU A 3 -16.530 2.121 -0.611 1.00 1.11 C ATOM 37 CD GLU A 3 -16.389 3.549 -1.110 1.00 44.40 C ATOM 38 OE1 GLU A 3 -15.245 3.979 -1.376 1.00 31.43 O ATOM 39 OE2 GLU A 3 -17.415 4.252 -1.233 1.00 62.45 O ATOM 0 H GLU A 3 -16.783 0.344 3.389 1.00 1.35 H new ATOM 0 HA GLU A 3 -17.192 0.160 1.206 1.00 53.11 H new ATOM 0 HB2 GLU A 3 -16.548 2.651 1.458 1.00 4.13 H new ATOM 0 HB3 GLU A 3 -14.966 2.222 0.840 1.00 4.13 H new ATOM 0 HG2 GLU A 3 -15.981 1.452 -1.273 1.00 1.11 H new ATOM 0 HG3 GLU A 3 -17.578 1.825 -0.657 1.00 1.11 H new ATOM 46 N SER A 4 -14.702 -1.432 1.427 1.00 73.42 N ATOM 47 CA SER A 4 -13.816 -2.479 0.873 1.00 5.45 C ATOM 48 C SER A 4 -12.507 -1.895 0.310 1.00 14.12 C ATOM 49 O SER A 4 -11.828 -2.539 -0.491 1.00 4.14 O ATOM 50 CB SER A 4 -14.538 -3.283 -0.228 1.00 63.41 C ATOM 51 OG SER A 4 -15.718 -3.900 0.268 1.00 21.14 O ATOM 0 H SER A 4 -14.856 -1.509 2.432 1.00 73.42 H new ATOM 0 HA SER A 4 -13.562 -3.143 1.699 1.00 5.45 H new ATOM 0 HB2 SER A 4 -14.792 -2.621 -1.056 1.00 63.41 H new ATOM 0 HB3 SER A 4 -13.866 -4.045 -0.624 1.00 63.41 H new ATOM 0 HG SER A 4 -16.154 -4.400 -0.453 1.00 21.14 H new ATOM 57 N ILE A 5 -12.140 -0.691 0.758 1.00 4.20 N ATOM 58 CA ILE A 5 -10.926 -0.005 0.278 1.00 21.55 C ATOM 59 C ILE A 5 -9.663 -0.876 0.447 1.00 72.52 C ATOM 60 O ILE A 5 -8.694 -0.738 -0.303 1.00 13.22 O ATOM 61 CB ILE A 5 -10.724 1.351 1.016 1.00 63.42 C ATOM 62 CG1 ILE A 5 -9.546 2.141 0.412 1.00 64.41 C ATOM 63 CG2 ILE A 5 -10.510 1.130 2.513 1.00 71.23 C ATOM 64 CD1 ILE A 5 -9.741 2.522 -1.042 1.00 71.34 C ATOM 0 H ILE A 5 -12.666 -0.165 1.456 1.00 4.20 H new ATOM 0 HA ILE A 5 -11.072 0.181 -0.786 1.00 21.55 H new ATOM 0 HB ILE A 5 -11.631 1.940 0.883 1.00 63.42 H new ATOM 0 HG12 ILE A 5 -9.392 3.048 0.997 1.00 64.41 H new ATOM 0 HG13 ILE A 5 -8.638 1.545 0.502 1.00 64.41 H new ATOM 0 HG21 ILE A 5 -10.371 2.092 3.007 1.00 71.23 H new ATOM 0 HG22 ILE A 5 -11.381 0.628 2.935 1.00 71.23 H new ATOM 0 HG23 ILE A 5 -9.625 0.512 2.667 1.00 71.23 H new ATOM 0 HD11 ILE A 5 -8.870 3.075 -1.393 1.00 71.34 H new ATOM 0 HD12 ILE A 5 -9.864 1.620 -1.641 1.00 71.34 H new ATOM 0 HD13 ILE A 5 -10.630 3.146 -1.139 1.00 71.34 H new ATOM 76 N VAL A 6 -9.692 -1.779 1.429 1.00 44.12 N ATOM 77 CA VAL A 6 -8.572 -2.690 1.695 1.00 72.45 C ATOM 78 C VAL A 6 -8.149 -3.467 0.433 1.00 71.45 C ATOM 79 O VAL A 6 -6.966 -3.509 0.088 1.00 55.51 O ATOM 80 CB VAL A 6 -8.935 -3.695 2.821 1.00 34.41 C ATOM 81 CG1 VAL A 6 -7.773 -4.647 3.107 1.00 5.20 C ATOM 82 CG2 VAL A 6 -9.358 -2.955 4.090 1.00 53.34 C ATOM 0 H VAL A 6 -10.485 -1.901 2.059 1.00 44.12 H new ATOM 0 HA VAL A 6 -7.732 -2.073 2.014 1.00 72.45 H new ATOM 0 HB VAL A 6 -9.779 -4.294 2.478 1.00 34.41 H new ATOM 0 HG11 VAL A 6 -8.056 -5.339 3.900 1.00 5.20 H new ATOM 0 HG12 VAL A 6 -7.532 -5.208 2.204 1.00 5.20 H new ATOM 0 HG13 VAL A 6 -6.901 -4.073 3.421 1.00 5.20 H new ATOM 0 HG21 VAL A 6 -9.608 -3.678 4.866 1.00 53.34 H new ATOM 0 HG22 VAL A 6 -8.539 -2.323 4.433 1.00 53.34 H new ATOM 0 HG23 VAL A 6 -10.229 -2.336 3.877 1.00 53.34 H new ATOM 92 N THR A 7 -9.121 -4.069 -0.256 1.00 60.11 N ATOM 93 CA THR A 7 -8.847 -4.826 -1.490 1.00 13.32 C ATOM 94 C THR A 7 -8.110 -3.964 -2.524 1.00 52.34 C ATOM 95 O THR A 7 -7.118 -4.395 -3.116 1.00 25.22 O ATOM 96 CB THR A 7 -10.149 -5.376 -2.130 1.00 3.32 C ATOM 97 OG1 THR A 7 -10.861 -6.196 -1.189 1.00 74.33 O ATOM 98 CG2 THR A 7 -9.853 -6.195 -3.385 1.00 43.40 C ATOM 0 H THR A 7 -10.104 -4.050 0.015 1.00 60.11 H new ATOM 0 HA THR A 7 -8.213 -5.664 -1.201 1.00 13.32 H new ATOM 0 HB THR A 7 -10.761 -4.519 -2.410 1.00 3.32 H new ATOM 0 HG1 THR A 7 -11.681 -6.535 -1.605 1.00 74.33 H new ATOM 0 HG21 THR A 7 -10.788 -6.565 -3.807 1.00 43.40 H new ATOM 0 HG22 THR A 7 -9.347 -5.567 -4.118 1.00 43.40 H new ATOM 0 HG23 THR A 7 -9.213 -7.039 -3.126 1.00 43.40 H new ATOM 106 N LYS A 8 -8.592 -2.735 -2.723 1.00 12.11 N ATOM 107 CA LYS A 8 -7.973 -1.794 -3.665 1.00 23.20 C ATOM 108 C LYS A 8 -6.489 -1.568 -3.341 1.00 54.34 C ATOM 109 O LYS A 8 -5.629 -1.680 -4.214 1.00 50.32 O ATOM 110 CB LYS A 8 -8.723 -0.451 -3.645 1.00 44.31 C ATOM 111 CG LYS A 8 -8.120 0.608 -4.568 1.00 30.23 C ATOM 112 CD LYS A 8 -8.058 0.120 -6.012 1.00 64.45 C ATOM 113 CE LYS A 8 -7.359 1.114 -6.929 1.00 24.44 C ATOM 114 NZ LYS A 8 -7.232 0.586 -8.313 1.00 52.24 N ATOM 0 H LYS A 8 -9.413 -2.365 -2.243 1.00 12.11 H new ATOM 0 HA LYS A 8 -8.039 -2.231 -4.662 1.00 23.20 H new ATOM 0 HB2 LYS A 8 -9.761 -0.621 -3.932 1.00 44.31 H new ATOM 0 HB3 LYS A 8 -8.733 -0.067 -2.625 1.00 44.31 H new ATOM 0 HG2 LYS A 8 -8.716 1.519 -4.516 1.00 30.23 H new ATOM 0 HG3 LYS A 8 -7.117 0.863 -4.225 1.00 30.23 H new ATOM 0 HD2 LYS A 8 -7.534 -0.835 -6.048 1.00 64.45 H new ATOM 0 HD3 LYS A 8 -9.070 -0.058 -6.377 1.00 64.45 H new ATOM 0 HE2 LYS A 8 -7.918 2.050 -6.946 1.00 24.44 H new ATOM 0 HE3 LYS A 8 -6.369 1.341 -6.533 1.00 24.44 H new ATOM 0 HZ1 LYS A 8 -6.751 1.289 -8.910 1.00 52.24 H new ATOM 0 HZ2 LYS A 8 -6.678 -0.294 -8.299 1.00 52.24 H new ATOM 0 HZ3 LYS A 8 -8.178 0.393 -8.699 1.00 52.24 H new ATOM 128 N ILE A 9 -6.202 -1.257 -2.082 1.00 62.25 N ATOM 129 CA ILE A 9 -4.830 -0.994 -1.638 1.00 62.42 C ATOM 130 C ILE A 9 -3.902 -2.187 -1.931 1.00 62.21 C ATOM 131 O ILE A 9 -2.772 -2.011 -2.393 1.00 61.23 O ATOM 132 CB ILE A 9 -4.799 -0.657 -0.128 1.00 35.50 C ATOM 133 CG1 ILE A 9 -5.672 0.580 0.152 1.00 42.13 C ATOM 134 CG2 ILE A 9 -3.368 -0.430 0.357 1.00 64.22 C ATOM 135 CD1 ILE A 9 -5.730 0.986 1.611 1.00 5.41 C ATOM 0 H ILE A 9 -6.902 -1.180 -1.344 1.00 62.25 H new ATOM 0 HA ILE A 9 -4.465 -0.135 -2.201 1.00 62.42 H new ATOM 0 HB ILE A 9 -5.203 -1.506 0.423 1.00 35.50 H new ATOM 0 HG12 ILE A 9 -5.291 1.418 -0.431 1.00 42.13 H new ATOM 0 HG13 ILE A 9 -6.685 0.382 -0.198 1.00 42.13 H new ATOM 0 HG21 ILE A 9 -3.378 -0.195 1.421 1.00 64.22 H new ATOM 0 HG22 ILE A 9 -2.780 -1.332 0.190 1.00 64.22 H new ATOM 0 HG23 ILE A 9 -2.924 0.400 -0.194 1.00 64.22 H new ATOM 0 HD11 ILE A 9 -6.365 1.865 1.719 1.00 5.41 H new ATOM 0 HD12 ILE A 9 -6.141 0.166 2.201 1.00 5.41 H new ATOM 0 HD13 ILE A 9 -4.725 1.219 1.964 1.00 5.41 H new ATOM 147 N ILE A 10 -4.394 -3.399 -1.678 1.00 71.44 N ATOM 148 CA ILE A 10 -3.631 -4.620 -1.975 1.00 2.41 C ATOM 149 C ILE A 10 -3.336 -4.731 -3.485 1.00 30.24 C ATOM 150 O ILE A 10 -2.207 -5.022 -3.893 1.00 31.11 O ATOM 151 CB ILE A 10 -4.389 -5.887 -1.499 1.00 13.21 C ATOM 152 CG1 ILE A 10 -4.698 -5.787 0.006 1.00 52.32 C ATOM 153 CG2 ILE A 10 -3.584 -7.154 -1.805 1.00 71.33 C ATOM 154 CD1 ILE A 10 -5.541 -6.930 0.542 1.00 14.25 C ATOM 0 H ILE A 10 -5.314 -3.566 -1.270 1.00 71.44 H new ATOM 0 HA ILE A 10 -2.688 -4.553 -1.432 1.00 2.41 H new ATOM 0 HB ILE A 10 -5.331 -5.950 -2.044 1.00 13.21 H new ATOM 0 HG12 ILE A 10 -3.758 -5.753 0.558 1.00 52.32 H new ATOM 0 HG13 ILE A 10 -5.215 -4.847 0.198 1.00 52.32 H new ATOM 0 HG21 ILE A 10 -4.137 -8.028 -1.462 1.00 71.33 H new ATOM 0 HG22 ILE A 10 -3.418 -7.229 -2.880 1.00 71.33 H new ATOM 0 HG23 ILE A 10 -2.623 -7.108 -1.292 1.00 71.33 H new ATOM 0 HD11 ILE A 10 -5.714 -6.785 1.608 1.00 14.25 H new ATOM 0 HD12 ILE A 10 -6.497 -6.953 0.019 1.00 14.25 H new ATOM 0 HD13 ILE A 10 -5.018 -7.873 0.384 1.00 14.25 H new ATOM 166 N SER A 11 -4.361 -4.491 -4.309 1.00 1.24 N ATOM 167 CA SER A 11 -4.209 -4.501 -5.775 1.00 14.05 C ATOM 168 C SER A 11 -3.204 -3.439 -6.244 1.00 52.22 C ATOM 169 O SER A 11 -2.494 -3.638 -7.228 1.00 22.34 O ATOM 170 CB SER A 11 -5.566 -4.267 -6.458 1.00 55.41 C ATOM 171 OG SER A 11 -6.501 -5.284 -6.125 1.00 34.31 O ATOM 0 H SER A 11 -5.308 -4.287 -3.989 1.00 1.24 H new ATOM 0 HA SER A 11 -3.827 -5.482 -6.057 1.00 14.05 H new ATOM 0 HB2 SER A 11 -5.962 -3.296 -6.160 1.00 55.41 H new ATOM 0 HB3 SER A 11 -5.430 -4.237 -7.539 1.00 55.41 H new ATOM 0 HG SER A 11 -6.816 -5.151 -5.207 1.00 34.31 H new ATOM 177 N ILE A 12 -3.141 -2.318 -5.530 1.00 23.23 N ATOM 178 CA ILE A 12 -2.195 -1.242 -5.850 1.00 3.44 C ATOM 179 C ILE A 12 -0.742 -1.678 -5.609 1.00 11.43 C ATOM 180 O ILE A 12 0.151 -1.365 -6.401 1.00 4.20 O ATOM 181 CB ILE A 12 -2.489 0.028 -5.018 1.00 51.05 C ATOM 182 CG1 ILE A 12 -3.885 0.573 -5.357 1.00 34.21 C ATOM 183 CG2 ILE A 12 -1.418 1.093 -5.252 1.00 74.40 C ATOM 184 CD1 ILE A 12 -4.321 1.719 -4.477 1.00 24.15 C ATOM 0 H ILE A 12 -3.734 -2.127 -4.723 1.00 23.23 H new ATOM 0 HA ILE A 12 -2.324 -1.015 -6.908 1.00 3.44 H new ATOM 0 HB ILE A 12 -2.468 -0.239 -3.961 1.00 51.05 H new ATOM 0 HG12 ILE A 12 -3.894 0.901 -6.396 1.00 34.21 H new ATOM 0 HG13 ILE A 12 -4.611 -0.235 -5.271 1.00 34.21 H new ATOM 0 HG21 ILE A 12 -1.647 1.976 -4.656 1.00 74.40 H new ATOM 0 HG22 ILE A 12 -0.444 0.700 -4.959 1.00 74.40 H new ATOM 0 HG23 ILE A 12 -1.398 1.363 -6.308 1.00 74.40 H new ATOM 0 HD11 ILE A 12 -5.315 2.050 -4.777 1.00 24.15 H new ATOM 0 HD12 ILE A 12 -4.345 1.391 -3.438 1.00 24.15 H new ATOM 0 HD13 ILE A 12 -3.617 2.545 -4.580 1.00 24.15 H new ATOM 196 N VAL A 13 -0.505 -2.393 -4.510 1.00 62.22 N ATOM 197 CA VAL A 13 0.829 -2.922 -4.214 1.00 13.11 C ATOM 198 C VAL A 13 1.299 -3.868 -5.331 1.00 14.40 C ATOM 199 O VAL A 13 2.457 -3.837 -5.748 1.00 14.35 O ATOM 200 CB VAL A 13 0.853 -3.657 -2.852 1.00 33.42 C ATOM 201 CG1 VAL A 13 2.249 -4.200 -2.546 1.00 22.54 C ATOM 202 CG2 VAL A 13 0.381 -2.722 -1.738 1.00 2.23 C ATOM 0 H VAL A 13 -1.214 -2.619 -3.812 1.00 62.22 H new ATOM 0 HA VAL A 13 1.513 -2.075 -4.158 1.00 13.11 H new ATOM 0 HB VAL A 13 0.170 -4.505 -2.909 1.00 33.42 H new ATOM 0 HG11 VAL A 13 2.238 -4.712 -1.584 1.00 22.54 H new ATOM 0 HG12 VAL A 13 2.546 -4.901 -3.326 1.00 22.54 H new ATOM 0 HG13 VAL A 13 2.960 -3.375 -2.510 1.00 22.54 H new ATOM 0 HG21 VAL A 13 0.403 -3.251 -0.785 1.00 2.23 H new ATOM 0 HG22 VAL A 13 1.040 -1.855 -1.687 1.00 2.23 H new ATOM 0 HG23 VAL A 13 -0.637 -2.392 -1.947 1.00 2.23 H new ATOM 212 N GLN A 14 0.389 -4.700 -5.822 1.00 45.25 N ATOM 213 CA GLN A 14 0.670 -5.558 -6.978 1.00 23.01 C ATOM 214 C GLN A 14 0.921 -4.706 -8.233 1.00 61.32 C ATOM 215 O GLN A 14 1.901 -4.902 -8.946 1.00 45.42 O ATOM 216 CB GLN A 14 -0.507 -6.510 -7.220 1.00 41.32 C ATOM 217 CG GLN A 14 -0.303 -7.471 -8.390 1.00 23.02 C ATOM 218 CD GLN A 14 -1.472 -8.425 -8.557 1.00 21.13 C ATOM 219 OE1 GLN A 14 -2.615 -8.085 -8.265 1.00 42.41 O ATOM 220 NE2 GLN A 14 -1.200 -9.629 -9.011 1.00 3.22 N ATOM 0 H GLN A 14 -0.552 -4.803 -5.441 1.00 45.25 H new ATOM 0 HA GLN A 14 1.567 -6.141 -6.769 1.00 23.01 H new ATOM 0 HB2 GLN A 14 -0.683 -7.090 -6.314 1.00 41.32 H new ATOM 0 HB3 GLN A 14 -1.406 -5.920 -7.401 1.00 41.32 H new ATOM 0 HG2 GLN A 14 -0.168 -6.900 -9.308 1.00 23.02 H new ATOM 0 HG3 GLN A 14 0.611 -8.043 -8.233 1.00 23.02 H new ATOM 0 HE21 GLN A 14 -0.240 -9.881 -9.245 1.00 3.22 H new ATOM 0 HE22 GLN A 14 -1.949 -10.311 -9.129 1.00 3.22 H new ATOM 229 N GLU A 15 0.028 -3.748 -8.466 1.00 63.31 N ATOM 230 CA GLU A 15 0.088 -2.853 -9.629 1.00 74.04 C ATOM 231 C GLU A 15 1.459 -2.156 -9.760 1.00 15.32 C ATOM 232 O GLU A 15 2.138 -2.265 -10.788 1.00 52.10 O ATOM 233 CB GLU A 15 -1.024 -1.798 -9.506 1.00 20.43 C ATOM 234 CG GLU A 15 -1.148 -0.863 -10.708 1.00 32.32 C ATOM 235 CD GLU A 15 -1.648 -1.567 -11.960 1.00 44.04 C ATOM 236 OE1 GLU A 15 -0.820 -2.132 -12.705 1.00 71.23 O ATOM 237 OE2 GLU A 15 -2.873 -1.553 -12.208 1.00 34.51 O ATOM 0 H GLU A 15 -0.765 -3.566 -7.851 1.00 63.31 H new ATOM 0 HA GLU A 15 -0.054 -3.455 -10.526 1.00 74.04 H new ATOM 0 HB2 GLU A 15 -1.976 -2.308 -9.359 1.00 20.43 H new ATOM 0 HB3 GLU A 15 -0.842 -1.199 -8.614 1.00 20.43 H new ATOM 0 HG2 GLU A 15 -1.829 -0.049 -10.459 1.00 32.32 H new ATOM 0 HG3 GLU A 15 -0.176 -0.414 -10.914 1.00 32.32 H new ATOM 244 N ARG A 16 1.868 -1.453 -8.709 1.00 61.35 N ATOM 245 CA ARG A 16 3.111 -0.677 -8.739 1.00 44.30 C ATOM 246 C ARG A 16 4.361 -1.570 -8.823 1.00 2.22 C ATOM 247 O ARG A 16 5.304 -1.239 -9.538 1.00 32.11 O ATOM 248 CB ARG A 16 3.186 0.260 -7.527 1.00 31.43 C ATOM 249 CG ARG A 16 2.126 1.359 -7.549 1.00 4.13 C ATOM 250 CD ARG A 16 2.374 2.371 -8.671 1.00 44.40 C ATOM 251 NE ARG A 16 1.230 3.262 -8.867 1.00 52.33 N ATOM 252 CZ ARG A 16 1.296 4.566 -8.950 1.00 51.11 C ATOM 253 NH1 ARG A 16 2.426 5.193 -8.819 1.00 44.31 N ATOM 254 NH2 ARG A 16 0.216 5.238 -9.169 1.00 43.34 N ATOM 0 H ARG A 16 1.361 -1.402 -7.826 1.00 61.35 H new ATOM 0 HA ARG A 16 3.095 -0.077 -9.649 1.00 44.30 H new ATOM 0 HB2 ARG A 16 3.073 -0.326 -6.615 1.00 31.43 H new ATOM 0 HB3 ARG A 16 4.174 0.718 -7.491 1.00 31.43 H new ATOM 0 HG2 ARG A 16 1.141 0.910 -7.676 1.00 4.13 H new ATOM 0 HG3 ARG A 16 2.119 1.876 -6.589 1.00 4.13 H new ATOM 0 HD2 ARG A 16 3.259 2.963 -8.437 1.00 44.40 H new ATOM 0 HD3 ARG A 16 2.583 1.839 -9.599 1.00 44.40 H new ATOM 0 HE ARG A 16 0.308 2.832 -8.945 1.00 52.33 H new ATOM 0 HH11 ARG A 16 3.284 4.668 -8.648 1.00 44.31 H new ATOM 0 HH12 ARG A 16 2.456 6.210 -8.887 1.00 44.31 H new ATOM 0 HH21 ARG A 16 -0.674 4.752 -9.275 1.00 43.34 H new ATOM 0 HH22 ARG A 16 0.253 6.255 -9.236 1.00 43.34 H new ATOM 268 N GLN A 17 4.375 -2.704 -8.115 1.00 14.22 N ATOM 269 CA GLN A 17 5.518 -3.627 -8.209 1.00 52.30 C ATOM 270 C GLN A 17 5.494 -4.388 -9.545 1.00 41.11 C ATOM 271 O GLN A 17 6.509 -4.926 -9.988 1.00 20.54 O ATOM 272 CB GLN A 17 5.540 -4.621 -7.036 1.00 14.43 C ATOM 273 CG GLN A 17 4.516 -5.745 -7.143 1.00 11.32 C ATOM 274 CD GLN A 17 4.616 -6.745 -6.002 1.00 72.42 C ATOM 275 OE1 GLN A 17 4.358 -7.928 -6.174 1.00 23.00 O ATOM 276 NE2 GLN A 17 4.968 -6.276 -4.821 1.00 14.21 N ATOM 0 H GLN A 17 3.630 -3.003 -7.485 1.00 14.22 H new ATOM 0 HA GLN A 17 6.426 -3.026 -8.160 1.00 52.30 H new ATOM 0 HB2 GLN A 17 6.536 -5.059 -6.965 1.00 14.43 H new ATOM 0 HB3 GLN A 17 5.366 -4.074 -6.109 1.00 14.43 H new ATOM 0 HG2 GLN A 17 3.514 -5.317 -7.158 1.00 11.32 H new ATOM 0 HG3 GLN A 17 4.654 -6.267 -8.090 1.00 11.32 H new ATOM 0 HE21 GLN A 17 5.177 -5.284 -4.708 1.00 14.21 H new ATOM 0 HE22 GLN A 17 5.031 -6.905 -4.021 1.00 14.21 H new ATOM 285 N ASN A 18 4.319 -4.438 -10.174 1.00 55.54 N ATOM 286 CA ASN A 18 4.178 -4.990 -11.525 1.00 74.13 C ATOM 287 C ASN A 18 4.813 -4.025 -12.544 1.00 14.22 C ATOM 288 O ASN A 18 5.215 -4.420 -13.643 1.00 72.54 O ATOM 289 CB ASN A 18 2.690 -5.235 -11.825 1.00 45.33 C ATOM 290 CG ASN A 18 2.433 -5.969 -13.128 1.00 31.02 C ATOM 291 OD1 ASN A 18 3.298 -6.661 -13.659 1.00 22.31 O ATOM 292 ND2 ASN A 18 1.221 -5.859 -13.633 1.00 73.51 N ATOM 0 H ASN A 18 3.446 -4.101 -9.768 1.00 55.54 H new ATOM 0 HA ASN A 18 4.698 -5.945 -11.598 1.00 74.13 H new ATOM 0 HB2 ASN A 18 2.255 -5.808 -11.006 1.00 45.33 H new ATOM 0 HB3 ASN A 18 2.173 -4.276 -11.853 1.00 45.33 H new ATOM 0 HD21 ASN A 18 0.978 -6.357 -14.490 1.00 73.51 H new ATOM 0 HD22 ASN A 18 0.525 -5.276 -13.167 1.00 73.51 H new ATOM 299 N MET A 19 4.887 -2.748 -12.168 1.00 23.25 N ATOM 300 CA MET A 19 5.667 -1.757 -12.921 1.00 31.55 C ATOM 301 C MET A 19 7.170 -1.855 -12.595 1.00 24.52 C ATOM 302 O MET A 19 8.009 -1.861 -13.502 1.00 43.50 O ATOM 303 CB MET A 19 5.153 -0.336 -12.640 1.00 75.12 C ATOM 304 CG MET A 19 3.943 0.049 -13.474 1.00 72.31 C ATOM 305 SD MET A 19 4.297 -0.012 -15.243 1.00 15.11 S ATOM 306 CE MET A 19 2.766 0.619 -15.931 1.00 11.45 C ATOM 0 H MET A 19 4.416 -2.372 -11.345 1.00 23.25 H new ATOM 0 HA MET A 19 5.539 -1.975 -13.981 1.00 31.55 H new ATOM 0 HB2 MET A 19 4.897 -0.254 -11.584 1.00 75.12 H new ATOM 0 HB3 MET A 19 5.956 0.376 -12.830 1.00 75.12 H new ATOM 0 HG2 MET A 19 3.116 -0.624 -13.246 1.00 72.31 H new ATOM 0 HG3 MET A 19 3.620 1.054 -13.203 1.00 72.31 H new ATOM 0 HE1 MET A 19 2.837 0.639 -17.019 1.00 11.45 H new ATOM 0 HE2 MET A 19 1.940 -0.027 -15.633 1.00 11.45 H new ATOM 0 HE3 MET A 19 2.589 1.629 -15.560 1.00 11.45 H new ATOM 316 N ASP A 20 7.506 -1.911 -11.304 1.00 34.21 N ATOM 317 CA ASP A 20 8.901 -2.054 -10.867 1.00 45.12 C ATOM 318 C ASP A 20 9.224 -3.522 -10.524 1.00 13.14 C ATOM 319 O ASP A 20 9.152 -3.935 -9.364 1.00 70.02 O ATOM 320 CB ASP A 20 9.185 -1.160 -9.653 1.00 71.03 C ATOM 321 CG ASP A 20 8.935 0.315 -9.916 1.00 75.23 C ATOM 322 OD1 ASP A 20 9.553 0.876 -10.849 1.00 70.44 O ATOM 323 OD2 ASP A 20 8.157 0.936 -9.158 1.00 75.30 O ATOM 0 H ASP A 20 6.832 -1.860 -10.540 1.00 34.21 H new ATOM 0 HA ASP A 20 9.541 -1.741 -11.692 1.00 45.12 H new ATOM 0 HB2 ASP A 20 8.561 -1.483 -8.820 1.00 71.03 H new ATOM 0 HB3 ASP A 20 10.222 -1.296 -9.346 1.00 71.03 H new ATOM 328 N ASP A 21 9.577 -4.303 -11.541 1.00 43.32 N ATOM 329 CA ASP A 21 9.870 -5.731 -11.373 1.00 24.12 C ATOM 330 C ASP A 21 10.994 -5.984 -10.345 1.00 22.02 C ATOM 331 O ASP A 21 10.944 -6.947 -9.573 1.00 5.21 O ATOM 332 CB ASP A 21 10.248 -6.333 -12.734 1.00 63.00 C ATOM 333 CG ASP A 21 10.684 -7.787 -12.642 1.00 52.01 C ATOM 334 OD1 ASP A 21 9.809 -8.677 -12.628 1.00 53.13 O ATOM 335 OD2 ASP A 21 11.906 -8.045 -12.582 1.00 1.22 O ATOM 0 H ASP A 21 9.669 -3.971 -12.501 1.00 43.32 H new ATOM 0 HA ASP A 21 8.973 -6.214 -10.985 1.00 24.12 H new ATOM 0 HB2 ASP A 21 9.394 -6.258 -13.408 1.00 63.00 H new ATOM 0 HB3 ASP A 21 11.054 -5.745 -13.174 1.00 63.00 H new ATOM 340 N GLY A 22 11.998 -5.113 -10.332 1.00 35.50 N ATOM 341 CA GLY A 22 13.157 -5.304 -9.460 1.00 31.30 C ATOM 342 C GLY A 22 13.213 -4.331 -8.285 1.00 54.12 C ATOM 343 O GLY A 22 14.279 -4.122 -7.698 1.00 74.11 O ATOM 0 H GLY A 22 12.035 -4.273 -10.910 1.00 35.50 H new ATOM 0 HA2 GLY A 22 13.146 -6.324 -9.075 1.00 31.30 H new ATOM 0 HA3 GLY A 22 14.066 -5.197 -10.052 1.00 31.30 H new ATOM 347 N ALA A 23 12.075 -3.735 -7.938 1.00 62.22 N ATOM 348 CA ALA A 23 12.009 -2.788 -6.818 1.00 30.42 C ATOM 349 C ALA A 23 10.579 -2.647 -6.274 1.00 50.11 C ATOM 350 O ALA A 23 9.720 -2.060 -6.925 1.00 23.12 O ATOM 351 CB ALA A 23 12.542 -1.428 -7.250 1.00 22.13 C ATOM 0 H ALA A 23 11.185 -3.888 -8.413 1.00 62.22 H new ATOM 0 HA ALA A 23 12.631 -3.182 -6.014 1.00 30.42 H new ATOM 0 HB1 ALA A 23 12.488 -0.733 -6.412 1.00 22.13 H new ATOM 0 HB2 ALA A 23 13.578 -1.529 -7.572 1.00 22.13 H new ATOM 0 HB3 ALA A 23 11.941 -1.047 -8.076 1.00 22.13 H new ATOM 357 N PRO A 24 10.307 -3.189 -5.068 1.00 51.13 N ATOM 358 CA PRO A 24 8.974 -3.118 -4.438 1.00 42.12 C ATOM 359 C PRO A 24 8.338 -1.702 -4.435 1.00 33.05 C ATOM 360 O PRO A 24 8.950 -0.714 -4.853 1.00 53.24 O ATOM 361 CB PRO A 24 9.215 -3.614 -2.996 1.00 12.44 C ATOM 362 CG PRO A 24 10.692 -3.827 -2.861 1.00 54.44 C ATOM 363 CD PRO A 24 11.254 -3.955 -4.247 1.00 1.54 C ATOM 0 HA PRO A 24 8.257 -3.717 -5.000 1.00 42.12 H new ATOM 0 HB2 PRO A 24 8.861 -2.883 -2.270 1.00 12.44 H new ATOM 0 HB3 PRO A 24 8.671 -4.539 -2.808 1.00 12.44 H new ATOM 0 HG2 PRO A 24 11.154 -2.992 -2.335 1.00 54.44 H new ATOM 0 HG3 PRO A 24 10.899 -4.725 -2.278 1.00 54.44 H new ATOM 0 HD2 PRO A 24 12.263 -3.548 -4.311 1.00 1.54 H new ATOM 0 HD3 PRO A 24 11.310 -4.996 -4.564 1.00 1.54 H new ATOM 371 N VAL A 25 7.113 -1.617 -3.922 1.00 53.23 N ATOM 372 CA VAL A 25 6.291 -0.407 -4.048 1.00 41.43 C ATOM 373 C VAL A 25 6.678 0.683 -3.040 1.00 71.02 C ATOM 374 O VAL A 25 7.197 0.403 -1.963 1.00 71.04 O ATOM 375 CB VAL A 25 4.794 -0.751 -3.863 1.00 52.42 C ATOM 376 CG1 VAL A 25 3.902 0.471 -4.084 1.00 51.21 C ATOM 377 CG2 VAL A 25 4.400 -1.888 -4.793 1.00 72.04 C ATOM 0 H VAL A 25 6.661 -2.375 -3.411 1.00 53.23 H new ATOM 0 HA VAL A 25 6.472 -0.017 -5.050 1.00 41.43 H new ATOM 0 HB VAL A 25 4.647 -1.073 -2.832 1.00 52.42 H new ATOM 0 HG11 VAL A 25 2.858 0.189 -3.945 1.00 51.21 H new ATOM 0 HG12 VAL A 25 4.166 1.249 -3.367 1.00 51.21 H new ATOM 0 HG13 VAL A 25 4.045 0.847 -5.097 1.00 51.21 H new ATOM 0 HG21 VAL A 25 3.344 -2.122 -4.655 1.00 72.04 H new ATOM 0 HG22 VAL A 25 4.573 -1.589 -5.827 1.00 72.04 H new ATOM 0 HG23 VAL A 25 5.000 -2.769 -4.565 1.00 72.04 H new ATOM 387 N LYS A 26 6.419 1.931 -3.413 1.00 1.31 N ATOM 388 CA LYS A 26 6.706 3.086 -2.564 1.00 42.52 C ATOM 389 C LYS A 26 5.397 3.649 -1.976 1.00 4.20 C ATOM 390 O LYS A 26 4.352 3.614 -2.632 1.00 31.30 O ATOM 391 CB LYS A 26 7.434 4.178 -3.373 1.00 4.14 C ATOM 392 CG LYS A 26 8.732 3.725 -4.057 1.00 42.31 C ATOM 393 CD LYS A 26 8.477 2.744 -5.208 1.00 32.25 C ATOM 394 CE LYS A 26 9.772 2.271 -5.859 1.00 54.44 C ATOM 395 NZ LYS A 26 9.539 1.181 -6.849 1.00 5.23 N ATOM 0 H LYS A 26 6.004 2.173 -4.313 1.00 1.31 H new ATOM 0 HA LYS A 26 7.353 2.766 -1.747 1.00 42.52 H new ATOM 0 HB2 LYS A 26 6.754 4.558 -4.135 1.00 4.14 H new ATOM 0 HB3 LYS A 26 7.664 5.010 -2.707 1.00 4.14 H new ATOM 0 HG2 LYS A 26 9.262 4.598 -4.438 1.00 42.31 H new ATOM 0 HG3 LYS A 26 9.382 3.254 -3.320 1.00 42.31 H new ATOM 0 HD2 LYS A 26 7.925 1.882 -4.833 1.00 32.25 H new ATOM 0 HD3 LYS A 26 7.849 3.223 -5.959 1.00 32.25 H new ATOM 0 HE2 LYS A 26 10.256 3.113 -6.355 1.00 54.44 H new ATOM 0 HE3 LYS A 26 10.457 1.919 -5.088 1.00 54.44 H new ATOM 0 HZ1 LYS A 26 10.442 0.914 -7.291 1.00 5.23 H new ATOM 0 HZ2 LYS A 26 9.132 0.355 -6.366 1.00 5.23 H new ATOM 0 HZ3 LYS A 26 8.880 1.513 -7.582 1.00 5.23 H new ATOM 409 N THR A 27 5.458 4.167 -0.749 1.00 20.15 N ATOM 410 CA THR A 27 4.261 4.675 -0.049 1.00 13.11 C ATOM 411 C THR A 27 3.485 5.714 -0.879 1.00 5.25 C ATOM 412 O THR A 27 2.255 5.662 -0.961 1.00 55.30 O ATOM 413 CB THR A 27 4.625 5.301 1.325 1.00 32.52 C ATOM 414 OG1 THR A 27 5.234 4.315 2.174 1.00 14.55 O ATOM 415 CG2 THR A 27 3.393 5.871 2.025 1.00 22.14 C ATOM 0 H THR A 27 6.321 4.249 -0.212 1.00 20.15 H new ATOM 0 HA THR A 27 3.621 3.806 0.103 1.00 13.11 H new ATOM 0 HB THR A 27 5.326 6.115 1.138 1.00 32.52 H new ATOM 0 HG1 THR A 27 5.460 4.721 3.037 1.00 14.55 H new ATOM 0 HG21 THR A 27 3.685 6.301 2.983 1.00 22.14 H new ATOM 0 HG22 THR A 27 2.946 6.645 1.401 1.00 22.14 H new ATOM 0 HG23 THR A 27 2.668 5.075 2.191 1.00 22.14 H new ATOM 423 N ARG A 28 4.202 6.655 -1.498 1.00 5.14 N ATOM 424 CA ARG A 28 3.562 7.707 -2.304 1.00 53.20 C ATOM 425 C ARG A 28 2.742 7.116 -3.462 1.00 60.05 C ATOM 426 O ARG A 28 1.623 7.555 -3.723 1.00 31.31 O ATOM 427 CB ARG A 28 4.607 8.686 -2.858 1.00 24.33 C ATOM 428 CG ARG A 28 5.373 9.453 -1.783 1.00 43.30 C ATOM 429 CD ARG A 28 6.329 10.475 -2.397 1.00 55.14 C ATOM 430 NE ARG A 28 7.268 9.858 -3.332 1.00 33.43 N ATOM 431 CZ ARG A 28 8.338 10.443 -3.792 1.00 60.41 C ATOM 432 NH1 ARG A 28 8.634 11.654 -3.439 1.00 72.13 N ATOM 433 NH2 ARG A 28 9.107 9.818 -4.620 1.00 34.55 N ATOM 0 H ARG A 28 5.220 6.713 -1.460 1.00 5.14 H new ATOM 0 HA ARG A 28 2.883 8.246 -1.643 1.00 53.20 H new ATOM 0 HB2 ARG A 28 5.318 8.133 -3.471 1.00 24.33 H new ATOM 0 HB3 ARG A 28 4.109 9.400 -3.514 1.00 24.33 H new ATOM 0 HG2 ARG A 28 4.668 9.962 -1.126 1.00 43.30 H new ATOM 0 HG3 ARG A 28 5.935 8.752 -1.166 1.00 43.30 H new ATOM 0 HD2 ARG A 28 5.754 11.243 -2.915 1.00 55.14 H new ATOM 0 HD3 ARG A 28 6.884 10.974 -1.603 1.00 55.14 H new ATOM 0 HE ARG A 28 7.073 8.907 -3.645 1.00 33.43 H new ATOM 0 HH11 ARG A 28 8.027 12.160 -2.794 1.00 72.13 H new ATOM 0 HH12 ARG A 28 9.474 12.101 -3.806 1.00 72.13 H new ATOM 0 HH21 ARG A 28 8.876 8.868 -4.913 1.00 34.55 H new ATOM 0 HH22 ARG A 28 9.945 10.274 -4.981 1.00 34.55 H new ATOM 447 N ASP A 29 3.304 6.122 -4.148 1.00 53.15 N ATOM 448 CA ASP A 29 2.622 5.460 -5.264 1.00 3.51 C ATOM 449 C ASP A 29 1.260 4.883 -4.847 1.00 31.01 C ATOM 450 O ASP A 29 0.283 4.950 -5.599 1.00 4.45 O ATOM 451 CB ASP A 29 3.508 4.346 -5.818 1.00 35.53 C ATOM 452 CG ASP A 29 4.768 4.883 -6.467 1.00 30.00 C ATOM 453 OD1 ASP A 29 5.656 5.360 -5.733 1.00 53.11 O ATOM 454 OD2 ASP A 29 4.867 4.841 -7.713 1.00 72.34 O ATOM 0 H ASP A 29 4.235 5.754 -3.951 1.00 53.15 H new ATOM 0 HA ASP A 29 2.439 6.210 -6.033 1.00 3.51 H new ATOM 0 HB2 ASP A 29 3.779 3.665 -5.011 1.00 35.53 H new ATOM 0 HB3 ASP A 29 2.944 3.766 -6.549 1.00 35.53 H new ATOM 459 N ILE A 30 1.200 4.312 -3.648 1.00 71.24 N ATOM 460 CA ILE A 30 -0.045 3.738 -3.133 1.00 22.02 C ATOM 461 C ILE A 30 -1.080 4.834 -2.825 1.00 70.02 C ATOM 462 O ILE A 30 -2.258 4.713 -3.178 1.00 13.13 O ATOM 463 CB ILE A 30 0.216 2.882 -1.866 1.00 22.22 C ATOM 464 CG1 ILE A 30 1.257 1.793 -2.181 1.00 11.42 C ATOM 465 CG2 ILE A 30 -1.084 2.263 -1.352 1.00 3.22 C ATOM 466 CD1 ILE A 30 1.634 0.929 -0.995 1.00 24.52 C ATOM 0 H ILE A 30 1.995 4.233 -3.014 1.00 71.24 H new ATOM 0 HA ILE A 30 -0.450 3.091 -3.912 1.00 22.02 H new ATOM 0 HB ILE A 30 0.609 3.526 -1.079 1.00 22.22 H new ATOM 0 HG12 ILE A 30 0.868 1.153 -2.973 1.00 11.42 H new ATOM 0 HG13 ILE A 30 2.157 2.269 -2.570 1.00 11.42 H new ATOM 0 HG21 ILE A 30 -0.877 1.667 -0.463 1.00 3.22 H new ATOM 0 HG22 ILE A 30 -1.790 3.055 -1.102 1.00 3.22 H new ATOM 0 HG23 ILE A 30 -1.514 1.625 -2.124 1.00 3.22 H new ATOM 0 HD11 ILE A 30 2.372 0.188 -1.304 1.00 24.52 H new ATOM 0 HD12 ILE A 30 2.056 1.555 -0.208 1.00 24.52 H new ATOM 0 HD13 ILE A 30 0.746 0.421 -0.618 1.00 24.52 H new ATOM 478 N ALA A 31 -0.631 5.912 -2.180 1.00 21.21 N ATOM 479 CA ALA A 31 -1.495 7.071 -1.915 1.00 22.50 C ATOM 480 C ALA A 31 -1.986 7.709 -3.226 1.00 53.30 C ATOM 481 O ALA A 31 -3.113 8.204 -3.311 1.00 25.43 O ATOM 482 CB ALA A 31 -0.751 8.103 -1.073 1.00 12.23 C ATOM 0 H ALA A 31 0.322 6.010 -1.831 1.00 21.21 H new ATOM 0 HA ALA A 31 -2.367 6.722 -1.361 1.00 22.50 H new ATOM 0 HB1 ALA A 31 -1.402 8.956 -0.884 1.00 12.23 H new ATOM 0 HB2 ALA A 31 -0.456 7.654 -0.124 1.00 12.23 H new ATOM 0 HB3 ALA A 31 0.138 8.437 -1.608 1.00 12.23 H new ATOM 488 N ASP A 32 -1.119 7.692 -4.235 1.00 35.11 N ATOM 489 CA ASP A 32 -1.433 8.219 -5.567 1.00 73.41 C ATOM 490 C ASP A 32 -2.539 7.399 -6.259 1.00 65.24 C ATOM 491 O ASP A 32 -3.570 7.941 -6.664 1.00 41.35 O ATOM 492 CB ASP A 32 -0.154 8.219 -6.423 1.00 2.12 C ATOM 493 CG ASP A 32 -0.388 8.710 -7.842 1.00 45.05 C ATOM 494 OD1 ASP A 32 -0.550 9.933 -8.029 1.00 70.53 O ATOM 495 OD2 ASP A 32 -0.400 7.878 -8.776 1.00 3.22 O ATOM 0 H ASP A 32 -0.176 7.312 -4.155 1.00 35.11 H new ATOM 0 HA ASP A 32 -1.807 9.237 -5.456 1.00 73.41 H new ATOM 0 HB2 ASP A 32 0.596 8.850 -5.945 1.00 2.12 H new ATOM 0 HB3 ASP A 32 0.254 7.209 -6.457 1.00 2.12 H new ATOM 500 N ALA A 33 -2.314 6.092 -6.378 1.00 42.24 N ATOM 501 CA ALA A 33 -3.244 5.197 -7.083 1.00 13.51 C ATOM 502 C ALA A 33 -4.633 5.141 -6.422 1.00 12.42 C ATOM 503 O ALA A 33 -5.654 5.070 -7.110 1.00 10.03 O ATOM 504 CB ALA A 33 -2.649 3.799 -7.183 1.00 4.20 C ATOM 0 H ALA A 33 -1.493 5.623 -5.995 1.00 42.24 H new ATOM 0 HA ALA A 33 -3.387 5.607 -8.083 1.00 13.51 H new ATOM 0 HB1 ALA A 33 -3.345 3.144 -7.707 1.00 4.20 H new ATOM 0 HB2 ALA A 33 -1.709 3.842 -7.732 1.00 4.20 H new ATOM 0 HB3 ALA A 33 -2.467 3.409 -6.182 1.00 4.20 H new ATOM 510 N ALA A 34 -4.675 5.164 -5.090 1.00 62.42 N ATOM 511 CA ALA A 34 -5.949 5.122 -4.362 1.00 73.05 C ATOM 512 C ALA A 34 -6.602 6.510 -4.265 1.00 54.30 C ATOM 513 O ALA A 34 -7.829 6.623 -4.202 1.00 43.03 O ATOM 514 CB ALA A 34 -5.742 4.535 -2.968 1.00 71.11 C ATOM 0 H ALA A 34 -3.849 5.211 -4.494 1.00 62.42 H new ATOM 0 HA ALA A 34 -6.627 4.481 -4.925 1.00 73.05 H new ATOM 0 HB1 ALA A 34 -6.695 4.510 -2.439 1.00 71.11 H new ATOM 0 HB2 ALA A 34 -5.348 3.522 -3.054 1.00 71.11 H new ATOM 0 HB3 ALA A 34 -5.036 5.153 -2.414 1.00 71.11 H new ATOM 520 N GLY A 35 -5.782 7.561 -4.264 1.00 50.54 N ATOM 521 CA GLY A 35 -6.297 8.919 -4.104 1.00 1.20 C ATOM 522 C GLY A 35 -6.624 9.255 -2.650 1.00 3.31 C ATOM 523 O GLY A 35 -7.621 9.922 -2.363 1.00 53.44 O ATOM 0 H GLY A 35 -4.770 7.499 -4.371 1.00 50.54 H new ATOM 0 HA2 GLY A 35 -5.561 9.630 -4.481 1.00 1.20 H new ATOM 0 HA3 GLY A 35 -7.194 9.037 -4.711 1.00 1.20 H new ATOM 527 N LEU A 36 -5.780 8.792 -1.730 1.00 4.42 N ATOM 528 CA LEU A 36 -5.995 9.001 -0.291 1.00 23.21 C ATOM 529 C LEU A 36 -4.859 9.836 0.327 1.00 1.45 C ATOM 530 O LEU A 36 -3.852 10.113 -0.328 1.00 20.41 O ATOM 531 CB LEU A 36 -6.097 7.645 0.426 1.00 34.34 C ATOM 532 CG LEU A 36 -7.245 6.728 -0.039 1.00 31.42 C ATOM 533 CD1 LEU A 36 -7.222 5.403 0.722 1.00 65.44 C ATOM 534 CD2 LEU A 36 -8.598 7.423 0.128 1.00 62.01 C ATOM 0 H LEU A 36 -4.935 8.266 -1.953 1.00 4.42 H new ATOM 0 HA LEU A 36 -6.928 9.551 -0.164 1.00 23.21 H new ATOM 0 HB2 LEU A 36 -5.155 7.113 0.293 1.00 34.34 H new ATOM 0 HB3 LEU A 36 -6.212 7.827 1.494 1.00 34.34 H new ATOM 0 HG LEU A 36 -7.100 6.516 -1.098 1.00 31.42 H new ATOM 0 HD11 LEU A 36 -8.041 4.771 0.378 1.00 65.44 H new ATOM 0 HD12 LEU A 36 -6.273 4.897 0.543 1.00 65.44 H new ATOM 0 HD13 LEU A 36 -7.335 5.594 1.789 1.00 65.44 H new ATOM 0 HD21 LEU A 36 -9.393 6.757 -0.207 1.00 62.01 H new ATOM 0 HD22 LEU A 36 -8.752 7.673 1.178 1.00 62.01 H new ATOM 0 HD23 LEU A 36 -8.614 8.335 -0.468 1.00 62.01 H new ATOM 546 N SER A 37 -5.019 10.219 1.596 1.00 25.12 N ATOM 547 CA SER A 37 -4.008 11.029 2.301 1.00 73.24 C ATOM 548 C SER A 37 -2.831 10.166 2.779 1.00 74.31 C ATOM 549 O SER A 37 -3.011 9.001 3.126 1.00 12.21 O ATOM 550 CB SER A 37 -4.643 11.755 3.496 1.00 72.11 C ATOM 551 OG SER A 37 -5.710 12.601 3.082 1.00 55.04 O ATOM 0 H SER A 37 -5.836 9.985 2.160 1.00 25.12 H new ATOM 0 HA SER A 37 -3.624 11.766 1.595 1.00 73.24 H new ATOM 0 HB2 SER A 37 -5.014 11.023 4.213 1.00 72.11 H new ATOM 0 HB3 SER A 37 -3.885 12.347 4.009 1.00 72.11 H new ATOM 0 HG SER A 37 -6.095 13.048 3.864 1.00 55.04 H new ATOM 557 N ILE A 38 -1.633 10.753 2.817 1.00 50.24 N ATOM 558 CA ILE A 38 -0.404 10.019 3.177 1.00 1.11 C ATOM 559 C ILE A 38 -0.540 9.266 4.515 1.00 74.10 C ATOM 560 O ILE A 38 -0.378 8.047 4.566 1.00 73.23 O ATOM 561 CB ILE A 38 0.822 10.971 3.250 1.00 21.23 C ATOM 562 CG1 ILE A 38 1.059 11.659 1.893 1.00 4.35 C ATOM 563 CG2 ILE A 38 2.077 10.214 3.698 1.00 75.22 C ATOM 564 CD1 ILE A 38 1.343 10.700 0.754 1.00 51.14 C ATOM 0 H ILE A 38 -1.481 11.739 2.603 1.00 50.24 H new ATOM 0 HA ILE A 38 -0.248 9.286 2.385 1.00 1.11 H new ATOM 0 HB ILE A 38 0.608 11.740 3.992 1.00 21.23 H new ATOM 0 HG12 ILE A 38 0.182 12.255 1.642 1.00 4.35 H new ATOM 0 HG13 ILE A 38 1.897 12.350 1.989 1.00 4.35 H new ATOM 0 HG21 ILE A 38 2.921 10.902 3.741 1.00 75.22 H new ATOM 0 HG22 ILE A 38 1.909 9.783 4.685 1.00 75.22 H new ATOM 0 HG23 ILE A 38 2.295 9.417 2.987 1.00 75.22 H new ATOM 0 HD11 ILE A 38 1.498 11.264 -0.166 1.00 51.14 H new ATOM 0 HD12 ILE A 38 2.238 10.121 0.980 1.00 51.14 H new ATOM 0 HD13 ILE A 38 0.497 10.025 0.627 1.00 51.14 H new ATOM 576 N TYR A 39 -0.832 9.995 5.596 1.00 63.25 N ATOM 577 CA TYR A 39 -1.006 9.386 6.925 1.00 1.21 C ATOM 578 C TYR A 39 -2.103 8.304 6.913 1.00 14.42 C ATOM 579 O TYR A 39 -1.949 7.239 7.512 1.00 74.12 O ATOM 580 CB TYR A 39 -1.340 10.470 7.961 1.00 13.43 C ATOM 581 CG TYR A 39 -1.582 9.937 9.364 1.00 54.34 C ATOM 582 CD1 TYR A 39 -0.561 9.315 10.077 1.00 24.12 C ATOM 583 CD2 TYR A 39 -2.824 10.061 9.975 1.00 1.13 C ATOM 584 CE1 TYR A 39 -0.774 8.832 11.353 1.00 64.31 C ATOM 585 CE2 TYR A 39 -3.045 9.580 11.253 1.00 20.13 C ATOM 586 CZ TYR A 39 -2.015 8.967 11.938 1.00 14.33 C ATOM 587 OH TYR A 39 -2.230 8.487 13.211 1.00 32.12 O ATOM 0 H TYR A 39 -0.954 11.008 5.581 1.00 63.25 H new ATOM 0 HA TYR A 39 -0.068 8.903 7.198 1.00 1.21 H new ATOM 0 HB2 TYR A 39 -0.522 11.190 7.994 1.00 13.43 H new ATOM 0 HB3 TYR A 39 -2.227 11.011 7.632 1.00 13.43 H new ATOM 0 HD1 TYR A 39 0.414 9.208 9.625 1.00 24.12 H new ATOM 0 HD2 TYR A 39 -3.631 10.542 9.442 1.00 1.13 H new ATOM 0 HE1 TYR A 39 0.029 8.350 11.891 1.00 64.31 H new ATOM 0 HE2 TYR A 39 -4.017 9.683 11.712 1.00 20.13 H new ATOM 0 HH TYR A 39 -3.157 8.663 13.475 1.00 32.12 H new ATOM 597 N GLN A 40 -3.201 8.593 6.224 1.00 15.12 N ATOM 598 CA GLN A 40 -4.311 7.644 6.078 1.00 2.32 C ATOM 599 C GLN A 40 -3.827 6.316 5.470 1.00 30.22 C ATOM 600 O GLN A 40 -4.095 5.230 5.996 1.00 21.14 O ATOM 601 CB GLN A 40 -5.395 8.280 5.195 1.00 61.33 C ATOM 602 CG GLN A 40 -6.625 7.413 4.960 1.00 23.24 C ATOM 603 CD GLN A 40 -7.623 8.075 4.024 1.00 51.54 C ATOM 604 OE1 GLN A 40 -7.249 8.852 3.150 1.00 15.24 O ATOM 605 NE2 GLN A 40 -8.896 7.782 4.198 1.00 11.32 N ATOM 0 H GLN A 40 -3.352 9.484 5.752 1.00 15.12 H new ATOM 0 HA GLN A 40 -4.724 7.421 7.062 1.00 2.32 H new ATOM 0 HB2 GLN A 40 -5.712 9.217 5.653 1.00 61.33 H new ATOM 0 HB3 GLN A 40 -4.955 8.530 4.229 1.00 61.33 H new ATOM 0 HG2 GLN A 40 -6.317 6.455 4.542 1.00 23.24 H new ATOM 0 HG3 GLN A 40 -7.108 7.204 5.915 1.00 23.24 H new ATOM 0 HE21 GLN A 40 -9.174 7.132 4.934 1.00 11.32 H new ATOM 0 HE22 GLN A 40 -9.603 8.205 3.597 1.00 11.32 H new ATOM 614 N VAL A 41 -3.087 6.418 4.367 1.00 51.21 N ATOM 615 CA VAL A 41 -2.519 5.247 3.695 1.00 24.53 C ATOM 616 C VAL A 41 -1.479 4.542 4.582 1.00 22.12 C ATOM 617 O VAL A 41 -1.428 3.314 4.627 1.00 1.13 O ATOM 618 CB VAL A 41 -1.883 5.642 2.339 1.00 72.31 C ATOM 619 CG1 VAL A 41 -1.286 4.429 1.634 1.00 42.54 C ATOM 620 CG2 VAL A 41 -2.916 6.324 1.444 1.00 32.51 C ATOM 0 H VAL A 41 -2.865 7.306 3.916 1.00 51.21 H new ATOM 0 HA VAL A 41 -3.336 4.550 3.508 1.00 24.53 H new ATOM 0 HB VAL A 41 -1.074 6.345 2.540 1.00 72.31 H new ATOM 0 HG11 VAL A 41 -0.847 4.739 0.685 1.00 42.54 H new ATOM 0 HG12 VAL A 41 -0.514 3.986 2.263 1.00 42.54 H new ATOM 0 HG13 VAL A 41 -2.069 3.694 1.449 1.00 42.54 H new ATOM 0 HG21 VAL A 41 -2.453 6.595 0.495 1.00 32.51 H new ATOM 0 HG22 VAL A 41 -3.746 5.641 1.261 1.00 32.51 H new ATOM 0 HG23 VAL A 41 -3.287 7.223 1.936 1.00 32.51 H new ATOM 630 N ARG A 42 -0.664 5.327 5.296 1.00 61.04 N ATOM 631 CA ARG A 42 0.304 4.779 6.264 1.00 61.21 C ATOM 632 C ARG A 42 -0.372 3.801 7.237 1.00 63.42 C ATOM 633 O ARG A 42 0.118 2.691 7.462 1.00 31.02 O ATOM 634 CB ARG A 42 0.976 5.915 7.058 1.00 41.34 C ATOM 635 CG ARG A 42 2.092 6.646 6.314 1.00 22.40 C ATOM 636 CD ARG A 42 3.332 5.768 6.150 1.00 71.31 C ATOM 637 NE ARG A 42 3.828 5.265 7.436 1.00 22.31 N ATOM 638 CZ ARG A 42 4.924 5.675 8.025 1.00 61.01 C ATOM 639 NH1 ARG A 42 5.625 6.646 7.526 1.00 64.05 N ATOM 640 NH2 ARG A 42 5.302 5.127 9.131 1.00 62.11 N ATOM 0 H ARG A 42 -0.653 6.344 5.224 1.00 61.04 H new ATOM 0 HA ARG A 42 1.062 4.237 5.699 1.00 61.21 H new ATOM 0 HB2 ARG A 42 0.214 6.640 7.343 1.00 41.34 H new ATOM 0 HB3 ARG A 42 1.384 5.502 7.981 1.00 41.34 H new ATOM 0 HG2 ARG A 42 1.733 6.955 5.332 1.00 22.40 H new ATOM 0 HG3 ARG A 42 2.358 7.553 6.857 1.00 22.40 H new ATOM 0 HD2 ARG A 42 3.096 4.926 5.499 1.00 71.31 H new ATOM 0 HD3 ARG A 42 4.118 6.341 5.658 1.00 71.31 H new ATOM 0 HE ARG A 42 3.280 4.544 7.905 1.00 22.31 H new ATOM 0 HH11 ARG A 42 5.325 7.101 6.664 1.00 64.05 H new ATOM 0 HH12 ARG A 42 6.476 6.954 7.996 1.00 64.05 H new ATOM 0 HH21 ARG A 42 4.748 4.377 9.544 1.00 62.11 H new ATOM 0 HH22 ARG A 42 6.155 5.444 9.592 1.00 62.11 H new ATOM 654 N LEU A 43 -1.505 4.221 7.801 1.00 21.20 N ATOM 655 CA LEU A 43 -2.260 3.391 8.743 1.00 50.21 C ATOM 656 C LEU A 43 -2.684 2.067 8.095 1.00 42.13 C ATOM 657 O LEU A 43 -2.432 0.988 8.633 1.00 12.11 O ATOM 658 CB LEU A 43 -3.494 4.151 9.248 1.00 21.40 C ATOM 659 CG LEU A 43 -3.202 5.467 9.989 1.00 30.02 C ATOM 660 CD1 LEU A 43 -4.503 6.157 10.395 1.00 75.22 C ATOM 661 CD2 LEU A 43 -2.316 5.218 11.211 1.00 2.54 C ATOM 0 H LEU A 43 -1.922 5.134 7.622 1.00 21.20 H new ATOM 0 HA LEU A 43 -1.611 3.163 9.589 1.00 50.21 H new ATOM 0 HB2 LEU A 43 -4.139 4.369 8.397 1.00 21.40 H new ATOM 0 HB3 LEU A 43 -4.056 3.496 9.914 1.00 21.40 H new ATOM 0 HG LEU A 43 -2.663 6.127 9.310 1.00 30.02 H new ATOM 0 HD11 LEU A 43 -4.274 7.086 10.918 1.00 75.22 H new ATOM 0 HD12 LEU A 43 -5.091 6.377 9.504 1.00 75.22 H new ATOM 0 HD13 LEU A 43 -5.073 5.501 11.053 1.00 75.22 H new ATOM 0 HD21 LEU A 43 -2.123 6.163 11.719 1.00 2.54 H new ATOM 0 HD22 LEU A 43 -2.822 4.535 11.894 1.00 2.54 H new ATOM 0 HD23 LEU A 43 -1.371 4.778 10.892 1.00 2.54 H new ATOM 673 N TYR A 44 -3.313 2.156 6.925 1.00 54.43 N ATOM 674 CA TYR A 44 -3.769 0.961 6.204 1.00 44.44 C ATOM 675 C TYR A 44 -2.611 0.016 5.845 1.00 32.25 C ATOM 676 O TYR A 44 -2.712 -1.195 6.041 1.00 44.52 O ATOM 677 CB TYR A 44 -4.535 1.356 4.935 1.00 22.42 C ATOM 678 CG TYR A 44 -5.930 1.890 5.204 1.00 41.25 C ATOM 679 CD1 TYR A 44 -6.926 1.048 5.685 1.00 75.14 C ATOM 680 CD2 TYR A 44 -6.253 3.225 4.979 1.00 75.03 C ATOM 681 CE1 TYR A 44 -8.200 1.515 5.929 1.00 52.11 C ATOM 682 CE2 TYR A 44 -7.528 3.700 5.221 1.00 24.41 C ATOM 683 CZ TYR A 44 -8.496 2.841 5.700 1.00 13.50 C ATOM 684 OH TYR A 44 -9.772 3.308 5.941 1.00 64.31 O ATOM 0 H TYR A 44 -3.520 3.037 6.455 1.00 54.43 H new ATOM 0 HA TYR A 44 -4.436 0.422 6.877 1.00 44.44 H new ATOM 0 HB2 TYR A 44 -3.964 2.113 4.397 1.00 22.42 H new ATOM 0 HB3 TYR A 44 -4.608 0.487 4.281 1.00 22.42 H new ATOM 0 HD1 TYR A 44 -6.698 0.009 5.871 1.00 75.14 H new ATOM 0 HD2 TYR A 44 -5.495 3.900 4.610 1.00 75.03 H new ATOM 0 HE1 TYR A 44 -8.962 0.845 6.298 1.00 52.11 H new ATOM 0 HE2 TYR A 44 -7.765 4.737 5.036 1.00 24.41 H new ATOM 0 HH TYR A 44 -9.816 4.264 5.730 1.00 64.31 H new ATOM 694 N LEU A 45 -1.512 0.570 5.336 1.00 21.22 N ATOM 695 CA LEU A 45 -0.364 -0.235 4.897 1.00 33.22 C ATOM 696 C LEU A 45 0.287 -0.975 6.073 1.00 63.00 C ATOM 697 O LEU A 45 0.478 -2.194 6.034 1.00 52.45 O ATOM 698 CB LEU A 45 0.684 0.656 4.217 1.00 73.42 C ATOM 699 CG LEU A 45 0.229 1.346 2.925 1.00 21.45 C ATOM 700 CD1 LEU A 45 1.347 2.213 2.357 1.00 32.23 C ATOM 701 CD2 LEU A 45 -0.239 0.317 1.900 1.00 23.23 C ATOM 0 H LEU A 45 -1.388 1.575 5.216 1.00 21.22 H new ATOM 0 HA LEU A 45 -0.736 -0.973 4.187 1.00 33.22 H new ATOM 0 HB2 LEU A 45 0.998 1.422 4.926 1.00 73.42 H new ATOM 0 HB3 LEU A 45 1.561 0.049 3.994 1.00 73.42 H new ATOM 0 HG LEU A 45 -0.615 1.994 3.161 1.00 21.45 H new ATOM 0 HD11 LEU A 45 1.005 2.694 1.441 1.00 32.23 H new ATOM 0 HD12 LEU A 45 1.622 2.975 3.086 1.00 32.23 H new ATOM 0 HD13 LEU A 45 2.214 1.591 2.138 1.00 32.23 H new ATOM 0 HD21 LEU A 45 -0.557 0.828 0.991 1.00 23.23 H new ATOM 0 HD22 LEU A 45 0.581 -0.363 1.666 1.00 23.23 H new ATOM 0 HD23 LEU A 45 -1.075 -0.250 2.309 1.00 23.23 H new ATOM 713 N GLU A 46 0.625 -0.229 7.117 1.00 22.52 N ATOM 714 CA GLU A 46 1.309 -0.795 8.277 1.00 30.55 C ATOM 715 C GLU A 46 0.418 -1.790 9.043 1.00 74.45 C ATOM 716 O GLU A 46 0.918 -2.740 9.655 1.00 74.04 O ATOM 717 CB GLU A 46 1.813 0.331 9.189 1.00 35.31 C ATOM 718 CG GLU A 46 2.857 1.221 8.513 1.00 42.40 C ATOM 719 CD GLU A 46 3.595 2.134 9.478 1.00 64.52 C ATOM 720 OE1 GLU A 46 4.531 1.646 10.151 1.00 3.21 O ATOM 721 OE2 GLU A 46 3.260 3.335 9.552 1.00 52.32 O ATOM 0 H GLU A 46 0.437 0.771 7.186 1.00 22.52 H new ATOM 0 HA GLU A 46 2.168 -1.363 7.921 1.00 30.55 H new ATOM 0 HB2 GLU A 46 0.968 0.944 9.502 1.00 35.31 H new ATOM 0 HB3 GLU A 46 2.243 -0.104 10.091 1.00 35.31 H new ATOM 0 HG2 GLU A 46 3.581 0.590 7.997 1.00 42.40 H new ATOM 0 HG3 GLU A 46 2.366 1.830 7.753 1.00 42.40 H new ATOM 728 N GLN A 47 -0.898 -1.591 8.998 1.00 15.42 N ATOM 729 CA GLN A 47 -1.834 -2.570 9.565 1.00 22.31 C ATOM 730 C GLN A 47 -1.949 -3.810 8.664 1.00 31.15 C ATOM 731 O GLN A 47 -2.041 -4.937 9.153 1.00 4.51 O ATOM 732 CB GLN A 47 -3.210 -1.937 9.800 1.00 71.03 C ATOM 733 CG GLN A 47 -3.226 -0.939 10.955 1.00 4.12 C ATOM 734 CD GLN A 47 -2.878 -1.576 12.292 1.00 10.14 C ATOM 735 OE1 GLN A 47 -3.167 -2.741 12.539 1.00 52.11 O ATOM 736 NE2 GLN A 47 -2.240 -0.821 13.166 1.00 31.31 N ATOM 0 H GLN A 47 -1.340 -0.772 8.581 1.00 15.42 H new ATOM 0 HA GLN A 47 -1.440 -2.891 10.529 1.00 22.31 H new ATOM 0 HB2 GLN A 47 -3.531 -1.432 8.889 1.00 71.03 H new ATOM 0 HB3 GLN A 47 -3.936 -2.725 10.000 1.00 71.03 H new ATOM 0 HG2 GLN A 47 -2.519 -0.137 10.745 1.00 4.12 H new ATOM 0 HG3 GLN A 47 -4.214 -0.483 11.021 1.00 4.12 H new ATOM 0 HE21 GLN A 47 -2.012 0.146 12.934 1.00 31.31 H new ATOM 0 HE22 GLN A 47 -1.975 -1.204 14.073 1.00 31.31 H new ATOM 745 N LEU A 48 -1.929 -3.606 7.343 1.00 11.40 N ATOM 746 CA LEU A 48 -1.890 -4.728 6.399 1.00 63.23 C ATOM 747 C LEU A 48 -0.582 -5.521 6.546 1.00 12.52 C ATOM 748 O LEU A 48 -0.526 -6.709 6.235 1.00 71.02 O ATOM 749 CB LEU A 48 -2.065 -4.243 4.949 1.00 42.23 C ATOM 750 CG LEU A 48 -3.492 -3.800 4.575 1.00 5.41 C ATOM 751 CD1 LEU A 48 -3.542 -3.268 3.142 1.00 63.52 C ATOM 752 CD2 LEU A 48 -4.473 -4.956 4.759 1.00 14.44 C ATOM 0 H LEU A 48 -1.939 -2.684 6.906 1.00 11.40 H new ATOM 0 HA LEU A 48 -2.723 -5.389 6.637 1.00 63.23 H new ATOM 0 HB2 LEU A 48 -1.386 -3.408 4.777 1.00 42.23 H new ATOM 0 HB3 LEU A 48 -1.762 -5.044 4.275 1.00 42.23 H new ATOM 0 HG LEU A 48 -3.785 -2.989 5.242 1.00 5.41 H new ATOM 0 HD11 LEU A 48 -4.560 -2.962 2.903 1.00 63.52 H new ATOM 0 HD12 LEU A 48 -2.874 -2.412 3.048 1.00 63.52 H new ATOM 0 HD13 LEU A 48 -3.227 -4.051 2.452 1.00 63.52 H new ATOM 0 HD21 LEU A 48 -5.477 -4.627 4.491 1.00 14.44 H new ATOM 0 HD22 LEU A 48 -4.180 -5.787 4.118 1.00 14.44 H new ATOM 0 HD23 LEU A 48 -4.463 -5.279 5.800 1.00 14.44 H new ATOM 764 N HIS A 49 0.473 -4.857 7.012 1.00 24.04 N ATOM 765 CA HIS A 49 1.715 -5.553 7.361 1.00 34.42 C ATOM 766 C HIS A 49 1.542 -6.353 8.661 1.00 73.03 C ATOM 767 O HIS A 49 2.020 -7.480 8.777 1.00 54.20 O ATOM 768 CB HIS A 49 2.883 -4.563 7.506 1.00 14.42 C ATOM 769 CG HIS A 49 4.166 -5.223 7.926 1.00 64.41 C ATOM 770 ND1 HIS A 49 4.677 -6.341 7.302 1.00 71.23 N ATOM 771 CD2 HIS A 49 5.028 -4.936 8.930 1.00 43.43 C ATOM 772 CE1 HIS A 49 5.787 -6.711 7.902 1.00 74.10 C ATOM 773 NE2 HIS A 49 6.025 -5.876 8.890 1.00 22.11 N ATOM 0 H HIS A 49 0.496 -3.848 7.157 1.00 24.04 H new ATOM 0 HA HIS A 49 1.946 -6.243 6.550 1.00 34.42 H new ATOM 0 HB2 HIS A 49 3.038 -4.052 6.556 1.00 14.42 H new ATOM 0 HB3 HIS A 49 2.617 -3.801 8.238 1.00 14.42 H new ATOM 0 HD1 HIS A 49 4.258 -6.809 6.498 1.00 71.23 H new ATOM 0 HD2 HIS A 49 4.945 -4.119 9.631 1.00 43.43 H new ATOM 0 HE1 HIS A 49 6.400 -7.558 7.630 1.00 74.10 H new ATOM 782 N ASP A 50 0.843 -5.762 9.626 1.00 11.13 N ATOM 783 CA ASP A 50 0.608 -6.398 10.924 1.00 43.53 C ATOM 784 C ASP A 50 -0.200 -7.707 10.782 1.00 35.43 C ATOM 785 O ASP A 50 0.062 -8.690 11.478 1.00 33.22 O ATOM 786 CB ASP A 50 -0.115 -5.421 11.852 1.00 43.32 C ATOM 787 CG ASP A 50 -0.184 -5.923 13.281 1.00 72.43 C ATOM 788 OD1 ASP A 50 0.854 -5.877 13.978 1.00 51.24 O ATOM 789 OD2 ASP A 50 -1.266 -6.370 13.713 1.00 11.31 O ATOM 0 H ASP A 50 0.425 -4.836 9.534 1.00 11.13 H new ATOM 0 HA ASP A 50 1.575 -6.659 11.354 1.00 43.53 H new ATOM 0 HB2 ASP A 50 0.397 -4.459 11.832 1.00 43.32 H new ATOM 0 HB3 ASP A 50 -1.126 -5.252 11.480 1.00 43.32 H new ATOM 794 N VAL A 51 -1.175 -7.716 9.872 1.00 52.23 N ATOM 795 CA VAL A 51 -1.980 -8.920 9.613 1.00 72.50 C ATOM 796 C VAL A 51 -1.261 -9.912 8.674 1.00 20.13 C ATOM 797 O VAL A 51 -1.689 -11.057 8.524 1.00 23.22 O ATOM 798 CB VAL A 51 -3.371 -8.564 9.029 1.00 42.14 C ATOM 799 CG1 VAL A 51 -4.176 -7.723 10.020 1.00 33.14 C ATOM 800 CG2 VAL A 51 -3.233 -7.841 7.694 1.00 71.34 C ATOM 0 H VAL A 51 -1.429 -6.909 9.302 1.00 52.23 H new ATOM 0 HA VAL A 51 -2.118 -9.404 10.580 1.00 72.50 H new ATOM 0 HB VAL A 51 -3.911 -9.494 8.854 1.00 42.14 H new ATOM 0 HG11 VAL A 51 -5.149 -7.485 9.589 1.00 33.14 H new ATOM 0 HG12 VAL A 51 -4.316 -8.284 10.944 1.00 33.14 H new ATOM 0 HG13 VAL A 51 -3.638 -6.799 10.234 1.00 33.14 H new ATOM 0 HG21 VAL A 51 -4.223 -7.602 7.305 1.00 71.34 H new ATOM 0 HG22 VAL A 51 -2.667 -6.920 7.836 1.00 71.34 H new ATOM 0 HG23 VAL A 51 -2.710 -8.483 6.985 1.00 71.34 H new ATOM 810 N GLY A 52 -0.174 -9.471 8.039 1.00 1.42 N ATOM 811 CA GLY A 52 0.637 -10.373 7.215 1.00 72.24 C ATOM 812 C GLY A 52 0.310 -10.338 5.720 1.00 73.40 C ATOM 813 O GLY A 52 0.559 -11.309 5.006 1.00 15.31 O ATOM 0 H GLY A 52 0.163 -8.509 8.077 1.00 1.42 H new ATOM 0 HA2 GLY A 52 1.689 -10.120 7.349 1.00 72.24 H new ATOM 0 HA3 GLY A 52 0.506 -11.392 7.578 1.00 72.24 H new ATOM 817 N VAL A 53 -0.241 -9.228 5.238 1.00 62.04 N ATOM 818 CA VAL A 53 -0.507 -9.060 3.800 1.00 0.43 C ATOM 819 C VAL A 53 0.679 -8.386 3.086 1.00 4.11 C ATOM 820 O VAL A 53 1.240 -8.927 2.131 1.00 64.24 O ATOM 821 CB VAL A 53 -1.789 -8.215 3.550 1.00 32.34 C ATOM 822 CG1 VAL A 53 -2.048 -8.047 2.051 1.00 4.01 C ATOM 823 CG2 VAL A 53 -2.999 -8.841 4.242 1.00 65.25 C ATOM 0 H VAL A 53 -0.513 -8.431 5.813 1.00 62.04 H new ATOM 0 HA VAL A 53 -0.653 -10.061 3.393 1.00 0.43 H new ATOM 0 HB VAL A 53 -1.628 -7.226 3.979 1.00 32.34 H new ATOM 0 HG11 VAL A 53 -2.950 -7.453 1.902 1.00 4.01 H new ATOM 0 HG12 VAL A 53 -1.200 -7.541 1.590 1.00 4.01 H new ATOM 0 HG13 VAL A 53 -2.180 -9.027 1.592 1.00 4.01 H new ATOM 0 HG21 VAL A 53 -3.882 -8.231 4.052 1.00 65.25 H new ATOM 0 HG22 VAL A 53 -3.161 -9.846 3.853 1.00 65.25 H new ATOM 0 HG23 VAL A 53 -2.818 -8.893 5.316 1.00 65.25 H new ATOM 833 N LEU A 54 1.055 -7.199 3.566 1.00 1.51 N ATOM 834 CA LEU A 54 2.118 -6.406 2.937 1.00 63.34 C ATOM 835 C LEU A 54 3.416 -6.457 3.754 1.00 71.23 C ATOM 836 O LEU A 54 3.423 -6.159 4.947 1.00 41.22 O ATOM 837 CB LEU A 54 1.660 -4.948 2.784 1.00 73.23 C ATOM 838 CG LEU A 54 0.331 -4.752 2.038 1.00 32.11 C ATOM 839 CD1 LEU A 54 0.009 -3.267 1.899 1.00 30.54 C ATOM 840 CD2 LEU A 54 0.371 -5.429 0.669 1.00 14.53 C ATOM 0 H LEU A 54 0.640 -6.763 4.389 1.00 1.51 H new ATOM 0 HA LEU A 54 2.319 -6.834 1.955 1.00 63.34 H new ATOM 0 HB2 LEU A 54 1.569 -4.507 3.777 1.00 73.23 H new ATOM 0 HB3 LEU A 54 2.438 -4.393 2.259 1.00 73.23 H new ATOM 0 HG LEU A 54 -0.461 -5.221 2.622 1.00 32.11 H new ATOM 0 HD11 LEU A 54 -0.936 -3.148 1.368 1.00 30.54 H new ATOM 0 HD12 LEU A 54 -0.072 -2.818 2.889 1.00 30.54 H new ATOM 0 HD13 LEU A 54 0.804 -2.773 1.340 1.00 30.54 H new ATOM 0 HD21 LEU A 54 -0.581 -5.277 0.160 1.00 14.53 H new ATOM 0 HD22 LEU A 54 1.175 -4.997 0.073 1.00 14.53 H new ATOM 0 HD23 LEU A 54 0.547 -6.497 0.796 1.00 14.53 H new ATOM 852 N GLU A 55 4.509 -6.836 3.109 1.00 64.23 N ATOM 853 CA GLU A 55 5.818 -6.898 3.764 1.00 51.14 C ATOM 854 C GLU A 55 6.617 -5.597 3.564 1.00 72.54 C ATOM 855 O GLU A 55 6.603 -5.006 2.483 1.00 32.43 O ATOM 856 CB GLU A 55 6.615 -8.092 3.223 1.00 63.14 C ATOM 857 CG GLU A 55 8.039 -8.177 3.762 1.00 1.45 C ATOM 858 CD GLU A 55 8.781 -9.411 3.277 1.00 74.50 C ATOM 859 OE1 GLU A 55 8.698 -10.466 3.942 1.00 52.11 O ATOM 860 OE2 GLU A 55 9.461 -9.328 2.236 1.00 10.14 O ATOM 0 H GLU A 55 4.520 -7.108 2.126 1.00 64.23 H new ATOM 0 HA GLU A 55 5.651 -7.023 4.834 1.00 51.14 H new ATOM 0 HB2 GLU A 55 6.087 -9.012 3.472 1.00 63.14 H new ATOM 0 HB3 GLU A 55 6.651 -8.030 2.135 1.00 63.14 H new ATOM 0 HG2 GLU A 55 8.590 -7.286 3.461 1.00 1.45 H new ATOM 0 HG3 GLU A 55 8.010 -8.181 4.852 1.00 1.45 H new ATOM 867 N LYS A 56 7.311 -5.161 4.617 1.00 5.01 N ATOM 868 CA LYS A 56 8.185 -3.988 4.542 1.00 21.31 C ATOM 869 C LYS A 56 9.600 -4.396 4.105 1.00 71.41 C ATOM 870 O LYS A 56 10.427 -4.804 4.928 1.00 72.32 O ATOM 871 CB LYS A 56 8.257 -3.271 5.902 1.00 11.34 C ATOM 872 CG LYS A 56 6.958 -2.607 6.348 1.00 50.45 C ATOM 873 CD LYS A 56 7.105 -1.973 7.735 1.00 72.01 C ATOM 874 CE LYS A 56 5.853 -1.207 8.159 1.00 70.35 C ATOM 875 NZ LYS A 56 5.928 -0.756 9.578 1.00 24.42 N ATOM 0 H LYS A 56 7.285 -5.604 5.535 1.00 5.01 H new ATOM 0 HA LYS A 56 7.763 -3.306 3.804 1.00 21.31 H new ATOM 0 HB2 LYS A 56 8.558 -3.993 6.661 1.00 11.34 H new ATOM 0 HB3 LYS A 56 9.038 -2.512 5.855 1.00 11.34 H new ATOM 0 HG2 LYS A 56 6.671 -1.843 5.625 1.00 50.45 H new ATOM 0 HG3 LYS A 56 6.157 -3.346 6.367 1.00 50.45 H new ATOM 0 HD2 LYS A 56 7.317 -2.752 8.467 1.00 72.01 H new ATOM 0 HD3 LYS A 56 7.959 -1.296 7.734 1.00 72.01 H new ATOM 0 HE2 LYS A 56 5.720 -0.341 7.510 1.00 70.35 H new ATOM 0 HE3 LYS A 56 4.977 -1.842 8.026 1.00 70.35 H new ATOM 0 HZ1 LYS A 56 5.386 0.124 9.692 1.00 24.42 H new ATOM 0 HZ2 LYS A 56 5.530 -1.491 10.197 1.00 24.42 H new ATOM 0 HZ3 LYS A 56 6.921 -0.587 9.836 1.00 24.42 H new ATOM 889 N VAL A 57 9.868 -4.320 2.806 1.00 71.33 N ATOM 890 CA VAL A 57 11.207 -4.589 2.279 1.00 43.05 C ATOM 891 C VAL A 57 12.169 -3.450 2.650 1.00 74.45 C ATOM 892 O VAL A 57 11.833 -2.275 2.495 1.00 32.00 O ATOM 893 CB VAL A 57 11.183 -4.772 0.741 1.00 23.33 C ATOM 894 CG1 VAL A 57 12.580 -5.076 0.202 1.00 0.52 C ATOM 895 CG2 VAL A 57 10.191 -5.869 0.349 1.00 25.34 C ATOM 0 H VAL A 57 9.178 -4.075 2.096 1.00 71.33 H new ATOM 0 HA VAL A 57 11.557 -5.518 2.729 1.00 43.05 H new ATOM 0 HB VAL A 57 10.853 -3.836 0.291 1.00 23.33 H new ATOM 0 HG11 VAL A 57 12.534 -5.200 -0.880 1.00 0.52 H new ATOM 0 HG12 VAL A 57 13.251 -4.252 0.445 1.00 0.52 H new ATOM 0 HG13 VAL A 57 12.954 -5.994 0.656 1.00 0.52 H new ATOM 0 HG21 VAL A 57 10.186 -5.985 -0.735 1.00 25.34 H new ATOM 0 HG22 VAL A 57 10.487 -6.810 0.813 1.00 25.34 H new ATOM 0 HG23 VAL A 57 9.192 -5.595 0.689 1.00 25.34 H new ATOM 905 N ASN A 58 13.353 -3.809 3.157 1.00 5.14 N ATOM 906 CA ASN A 58 14.358 -2.830 3.600 1.00 72.44 C ATOM 907 C ASN A 58 13.939 -2.164 4.930 1.00 73.13 C ATOM 908 O ASN A 58 14.378 -1.063 5.260 1.00 32.35 O ATOM 909 CB ASN A 58 14.602 -1.767 2.507 1.00 4.30 C ATOM 910 CG ASN A 58 15.760 -0.836 2.828 1.00 61.10 C ATOM 911 OD1 ASN A 58 16.758 -1.239 3.423 1.00 23.04 O ATOM 912 ND2 ASN A 58 15.626 0.422 2.461 1.00 42.42 N ATOM 0 H ASN A 58 13.643 -4.780 3.273 1.00 5.14 H new ATOM 0 HA ASN A 58 15.293 -3.363 3.774 1.00 72.44 H new ATOM 0 HB2 ASN A 58 14.798 -2.268 1.559 1.00 4.30 H new ATOM 0 HB3 ASN A 58 13.695 -1.177 2.374 1.00 4.30 H new ATOM 0 HD21 ASN A 58 16.363 1.095 2.669 1.00 42.42 H new ATOM 0 HD22 ASN A 58 14.785 0.723 1.969 1.00 42.42 H new ATOM 919 N ALA A 59 13.101 -2.854 5.707 1.00 12.44 N ATOM 920 CA ALA A 59 12.653 -2.332 7.005 1.00 12.15 C ATOM 921 C ALA A 59 13.754 -2.416 8.077 1.00 41.23 C ATOM 922 O ALA A 59 13.669 -1.750 9.112 1.00 52.04 O ATOM 923 CB ALA A 59 11.409 -3.069 7.478 1.00 53.53 C ATOM 0 H ALA A 59 12.720 -3.769 5.465 1.00 12.44 H new ATOM 0 HA ALA A 59 12.414 -1.279 6.859 1.00 12.15 H new ATOM 0 HB1 ALA A 59 11.093 -2.668 8.441 1.00 53.53 H new ATOM 0 HB2 ALA A 59 10.609 -2.937 6.750 1.00 53.53 H new ATOM 0 HB3 ALA A 59 11.633 -4.131 7.583 1.00 53.53 H new ATOM 929 N GLY A 60 14.773 -3.241 7.823 1.00 1.13 N ATOM 930 CA GLY A 60 15.888 -3.395 8.761 1.00 53.24 C ATOM 931 C GLY A 60 15.444 -3.742 10.180 1.00 40.40 C ATOM 932 O GLY A 60 15.243 -4.910 10.512 1.00 71.42 O ATOM 0 H GLY A 60 14.849 -3.810 6.980 1.00 1.13 H new ATOM 0 HA2 GLY A 60 16.555 -4.176 8.396 1.00 53.24 H new ATOM 0 HA3 GLY A 60 16.464 -2.470 8.785 1.00 53.24 H new ATOM 936 N LYS A 61 15.294 -2.718 11.019 1.00 21.45 N ATOM 937 CA LYS A 61 14.837 -2.895 12.401 1.00 13.32 C ATOM 938 C LYS A 61 13.641 -1.978 12.708 1.00 61.51 C ATOM 939 O LYS A 61 13.534 -1.421 13.802 1.00 14.53 O ATOM 940 CB LYS A 61 15.992 -2.631 13.381 1.00 71.04 C ATOM 941 CG LYS A 61 17.156 -3.613 13.241 1.00 64.01 C ATOM 942 CD LYS A 61 18.227 -3.407 14.311 1.00 32.22 C ATOM 943 CE LYS A 61 18.866 -2.027 14.226 1.00 54.13 C ATOM 944 NZ LYS A 61 19.517 -1.793 12.909 1.00 11.31 N ATOM 0 H LYS A 61 15.484 -1.749 10.765 1.00 21.45 H new ATOM 0 HA LYS A 61 14.506 -3.926 12.523 1.00 13.32 H new ATOM 0 HB2 LYS A 61 16.363 -1.618 13.227 1.00 71.04 H new ATOM 0 HB3 LYS A 61 15.609 -2.678 14.401 1.00 71.04 H new ATOM 0 HG2 LYS A 61 16.776 -4.633 13.303 1.00 64.01 H new ATOM 0 HG3 LYS A 61 17.606 -3.500 12.255 1.00 64.01 H new ATOM 0 HD2 LYS A 61 17.783 -3.540 15.298 1.00 32.22 H new ATOM 0 HD3 LYS A 61 18.998 -4.170 14.203 1.00 32.22 H new ATOM 0 HE2 LYS A 61 18.105 -1.265 14.395 1.00 54.13 H new ATOM 0 HE3 LYS A 61 19.606 -1.921 15.020 1.00 54.13 H new ATOM 0 HZ1 LYS A 61 20.094 -0.929 12.956 1.00 11.31 H new ATOM 0 HZ2 LYS A 61 20.125 -2.603 12.673 1.00 11.31 H new ATOM 0 HZ3 LYS A 61 18.788 -1.683 12.176 1.00 11.31 H new ATOM 958 N GLY A 62 12.741 -1.829 11.737 1.00 73.01 N ATOM 959 CA GLY A 62 11.492 -1.100 11.965 1.00 20.25 C ATOM 960 C GLY A 62 11.410 0.257 11.262 1.00 10.34 C ATOM 961 O GLY A 62 10.949 1.235 11.852 1.00 71.31 O ATOM 0 H GLY A 62 12.850 -2.199 10.793 1.00 73.01 H new ATOM 0 HA2 GLY A 62 10.659 -1.719 11.631 1.00 20.25 H new ATOM 0 HA3 GLY A 62 11.366 -0.948 13.037 1.00 20.25 H new ATOM 965 N VAL A 63 11.851 0.327 10.007 1.00 74.04 N ATOM 966 CA VAL A 63 11.715 1.560 9.214 1.00 25.51 C ATOM 967 C VAL A 63 10.710 1.374 8.062 1.00 55.52 C ATOM 968 O VAL A 63 10.577 0.274 7.514 1.00 71.02 O ATOM 969 CB VAL A 63 13.076 2.033 8.628 1.00 42.44 C ATOM 970 CG1 VAL A 63 14.119 2.193 9.733 1.00 13.11 C ATOM 971 CG2 VAL A 63 13.581 1.092 7.531 1.00 13.21 C ATOM 0 H VAL A 63 12.302 -0.445 9.516 1.00 74.04 H new ATOM 0 HA VAL A 63 11.347 2.324 9.899 1.00 25.51 H new ATOM 0 HB VAL A 63 12.911 3.008 8.169 1.00 42.44 H new ATOM 0 HG11 VAL A 63 15.062 2.524 9.298 1.00 13.11 H new ATOM 0 HG12 VAL A 63 13.773 2.932 10.456 1.00 13.11 H new ATOM 0 HG13 VAL A 63 14.267 1.237 10.235 1.00 13.11 H new ATOM 0 HG21 VAL A 63 14.534 1.458 7.148 1.00 13.21 H new ATOM 0 HG22 VAL A 63 13.715 0.092 7.943 1.00 13.21 H new ATOM 0 HG23 VAL A 63 12.854 1.056 6.720 1.00 13.21 H new ATOM 981 N PRO A 64 9.966 2.437 7.689 1.00 72.32 N ATOM 982 CA PRO A 64 9.065 2.399 6.529 1.00 43.15 C ATOM 983 C PRO A 64 9.833 2.287 5.201 1.00 14.20 C ATOM 984 O PRO A 64 10.309 3.286 4.657 1.00 34.41 O ATOM 985 CB PRO A 64 8.291 3.731 6.610 1.00 23.22 C ATOM 986 CG PRO A 64 8.566 4.266 7.982 1.00 63.03 C ATOM 987 CD PRO A 64 9.925 3.743 8.367 1.00 60.11 C ATOM 0 HA PRO A 64 8.412 1.526 6.552 1.00 43.15 H new ATOM 0 HB2 PRO A 64 8.626 4.428 5.842 1.00 23.22 H new ATOM 0 HB3 PRO A 64 7.223 3.575 6.455 1.00 23.22 H new ATOM 0 HG2 PRO A 64 8.552 5.356 7.986 1.00 63.03 H new ATOM 0 HG3 PRO A 64 7.806 3.935 8.689 1.00 63.03 H new ATOM 0 HD2 PRO A 64 10.725 4.402 8.028 1.00 60.11 H new ATOM 0 HD3 PRO A 64 10.031 3.643 9.447 1.00 60.11 H new ATOM 995 N GLY A 65 9.989 1.060 4.709 1.00 11.23 N ATOM 996 CA GLY A 65 10.705 0.833 3.460 1.00 1.24 C ATOM 997 C GLY A 65 9.782 0.648 2.259 1.00 75.41 C ATOM 998 O GLY A 65 8.820 1.397 2.076 1.00 10.24 O ATOM 0 H GLY A 65 9.631 0.215 5.154 1.00 11.23 H new ATOM 0 HA2 GLY A 65 11.370 1.676 3.272 1.00 1.24 H new ATOM 0 HA3 GLY A 65 11.334 -0.051 3.565 1.00 1.24 H new ATOM 1002 N LEU A 66 10.080 -0.354 1.438 1.00 70.41 N ATOM 1003 CA LEU A 66 9.312 -0.621 0.219 1.00 40.31 C ATOM 1004 C LEU A 66 8.258 -1.721 0.438 1.00 31.02 C ATOM 1005 O LEU A 66 8.554 -2.784 0.982 1.00 34.23 O ATOM 1006 CB LEU A 66 10.272 -1.020 -0.905 1.00 31.44 C ATOM 1007 CG LEU A 66 11.305 0.051 -1.295 1.00 64.34 C ATOM 1008 CD1 LEU A 66 12.294 -0.499 -2.318 1.00 22.11 C ATOM 1009 CD2 LEU A 66 10.603 1.290 -1.842 1.00 11.14 C ATOM 0 H LEU A 66 10.853 -1.001 1.594 1.00 70.41 H new ATOM 0 HA LEU A 66 8.777 0.288 -0.056 1.00 40.31 H new ATOM 0 HB2 LEU A 66 10.804 -1.922 -0.603 1.00 31.44 H new ATOM 0 HB3 LEU A 66 9.686 -1.275 -1.788 1.00 31.44 H new ATOM 0 HG LEU A 66 11.862 0.333 -0.401 1.00 64.34 H new ATOM 0 HD11 LEU A 66 13.015 0.275 -2.579 1.00 22.11 H new ATOM 0 HD12 LEU A 66 12.818 -1.355 -1.893 1.00 22.11 H new ATOM 0 HD13 LEU A 66 11.756 -0.811 -3.213 1.00 22.11 H new ATOM 0 HD21 LEU A 66 11.347 2.039 -2.114 1.00 11.14 H new ATOM 0 HD22 LEU A 66 10.022 1.019 -2.723 1.00 11.14 H new ATOM 0 HD23 LEU A 66 9.939 1.698 -1.080 1.00 11.14 H new ATOM 1021 N TRP A 67 7.033 -1.462 -0.010 1.00 70.33 N ATOM 1022 CA TRP A 67 5.905 -2.371 0.211 1.00 42.43 C ATOM 1023 C TRP A 67 5.834 -3.492 -0.840 1.00 55.04 C ATOM 1024 O TRP A 67 5.803 -3.244 -2.046 1.00 52.33 O ATOM 1025 CB TRP A 67 4.595 -1.575 0.215 1.00 21.53 C ATOM 1026 CG TRP A 67 4.575 -0.498 1.259 1.00 21.30 C ATOM 1027 CD1 TRP A 67 4.807 0.836 1.070 1.00 21.21 C ATOM 1028 CD2 TRP A 67 4.332 -0.670 2.658 1.00 1.22 C ATOM 1029 NE1 TRP A 67 4.709 1.502 2.267 1.00 22.00 N ATOM 1030 CE2 TRP A 67 4.421 0.599 3.257 1.00 43.33 C ATOM 1031 CE3 TRP A 67 4.044 -1.777 3.462 1.00 63.42 C ATOM 1032 CZ2 TRP A 67 4.234 0.792 4.621 1.00 22.30 C ATOM 1033 CZ3 TRP A 67 3.858 -1.584 4.816 1.00 73.20 C ATOM 1034 CH2 TRP A 67 3.951 -0.308 5.383 1.00 23.23 C ATOM 0 H TRP A 67 6.791 -0.621 -0.534 1.00 70.33 H new ATOM 0 HA TRP A 67 6.057 -2.849 1.179 1.00 42.43 H new ATOM 0 HB2 TRP A 67 4.444 -1.126 -0.767 1.00 21.53 H new ATOM 0 HB3 TRP A 67 3.761 -2.256 0.386 1.00 21.53 H new ATOM 0 HD1 TRP A 67 5.034 1.298 0.120 1.00 21.21 H new ATOM 0 HE1 TRP A 67 4.831 2.506 2.398 1.00 22.00 H new ATOM 0 HE3 TRP A 67 3.968 -2.765 3.032 1.00 63.42 H new ATOM 0 HZ2 TRP A 67 4.309 1.775 5.063 1.00 22.30 H new ATOM 0 HZ3 TRP A 67 3.637 -2.431 5.448 1.00 73.20 H new ATOM 0 HH2 TRP A 67 3.796 -0.189 6.445 1.00 23.23 H new ATOM 1045 N ARG A 68 5.806 -4.731 -0.365 1.00 53.35 N ATOM 1046 CA ARG A 68 5.665 -5.904 -1.233 1.00 14.11 C ATOM 1047 C ARG A 68 4.733 -6.946 -0.594 1.00 64.11 C ATOM 1048 O ARG A 68 5.026 -7.459 0.482 1.00 61.50 O ATOM 1049 CB ARG A 68 7.046 -6.525 -1.507 1.00 2.13 C ATOM 1050 CG ARG A 68 6.985 -7.871 -2.220 1.00 72.50 C ATOM 1051 CD ARG A 68 8.375 -8.436 -2.513 1.00 13.34 C ATOM 1052 NE ARG A 68 8.309 -9.770 -3.113 1.00 2.22 N ATOM 1053 CZ ARG A 68 9.349 -10.483 -3.442 1.00 62.04 C ATOM 1054 NH1 ARG A 68 10.552 -10.038 -3.256 1.00 53.32 N ATOM 1055 NH2 ARG A 68 9.179 -11.654 -3.957 1.00 51.43 N ATOM 0 H ARG A 68 5.880 -4.955 0.627 1.00 53.35 H new ATOM 0 HA ARG A 68 5.224 -5.584 -2.177 1.00 14.11 H new ATOM 0 HB2 ARG A 68 7.633 -5.832 -2.109 1.00 2.13 H new ATOM 0 HB3 ARG A 68 7.572 -6.649 -0.561 1.00 2.13 H new ATOM 0 HG2 ARG A 68 6.429 -8.580 -1.606 1.00 72.50 H new ATOM 0 HG3 ARG A 68 6.436 -7.760 -3.155 1.00 72.50 H new ATOM 0 HD2 ARG A 68 8.906 -7.762 -3.185 1.00 13.34 H new ATOM 0 HD3 ARG A 68 8.950 -8.482 -1.588 1.00 13.34 H new ATOM 0 HE ARG A 68 7.386 -10.168 -3.285 1.00 2.22 H new ATOM 0 HH11 ARG A 68 10.697 -9.115 -2.846 1.00 53.32 H new ATOM 0 HH12 ARG A 68 11.354 -10.610 -3.520 1.00 53.32 H new ATOM 0 HH21 ARG A 68 8.236 -12.015 -4.104 1.00 51.43 H new ATOM 0 HH22 ARG A 68 9.987 -12.219 -4.217 1.00 51.43 H new ATOM 1069 N LEU A 69 3.607 -7.249 -1.242 1.00 65.30 N ATOM 1070 CA LEU A 69 2.679 -8.256 -0.708 1.00 44.11 C ATOM 1071 C LEU A 69 3.313 -9.656 -0.722 1.00 0.22 C ATOM 1072 O LEU A 69 4.194 -9.944 -1.537 1.00 60.42 O ATOM 1073 CB LEU A 69 1.341 -8.271 -1.476 1.00 4.03 C ATOM 1074 CG LEU A 69 1.367 -8.857 -2.904 1.00 75.34 C ATOM 1075 CD1 LEU A 69 -0.048 -9.198 -3.363 1.00 41.34 C ATOM 1076 CD2 LEU A 69 2.020 -7.892 -3.892 1.00 32.14 C ATOM 0 H LEU A 69 3.316 -6.822 -2.122 1.00 65.30 H new ATOM 0 HA LEU A 69 2.469 -7.977 0.325 1.00 44.11 H new ATOM 0 HB2 LEU A 69 0.618 -8.838 -0.889 1.00 4.03 H new ATOM 0 HB3 LEU A 69 0.971 -7.247 -1.535 1.00 4.03 H new ATOM 0 HG LEU A 69 1.964 -9.768 -2.878 1.00 75.34 H new ATOM 0 HD11 LEU A 69 -0.014 -9.610 -4.372 1.00 41.34 H new ATOM 0 HD12 LEU A 69 -0.483 -9.932 -2.685 1.00 41.34 H new ATOM 0 HD13 LEU A 69 -0.659 -8.295 -3.360 1.00 41.34 H new ATOM 0 HD21 LEU A 69 2.022 -8.336 -4.887 1.00 32.14 H new ATOM 0 HD22 LEU A 69 1.459 -6.958 -3.913 1.00 32.14 H new ATOM 0 HD23 LEU A 69 3.046 -7.693 -3.582 1.00 32.14 H new ATOM 1088 N LEU A 70 2.869 -10.518 0.186 1.00 2.45 N ATOM 1089 CA LEU A 70 3.445 -11.862 0.316 1.00 11.22 C ATOM 1090 C LEU A 70 2.877 -12.830 -0.731 1.00 34.52 C ATOM 1091 O LEU A 70 1.659 -13.000 -0.843 1.00 74.01 O ATOM 1092 CB LEU A 70 3.199 -12.414 1.728 1.00 0.20 C ATOM 1093 CG LEU A 70 3.858 -11.618 2.870 1.00 63.12 C ATOM 1094 CD1 LEU A 70 3.539 -12.250 4.222 1.00 34.13 C ATOM 1095 CD2 LEU A 70 5.371 -11.522 2.660 1.00 23.42 C ATOM 0 H LEU A 70 2.115 -10.316 0.843 1.00 2.45 H new ATOM 0 HA LEU A 70 4.518 -11.775 0.143 1.00 11.22 H new ATOM 0 HB2 LEU A 70 2.124 -12.448 1.905 1.00 0.20 H new ATOM 0 HB3 LEU A 70 3.562 -13.441 1.767 1.00 0.20 H new ATOM 0 HG LEU A 70 3.449 -10.608 2.862 1.00 63.12 H new ATOM 0 HD11 LEU A 70 4.014 -11.672 5.015 1.00 34.13 H new ATOM 0 HD12 LEU A 70 2.460 -12.257 4.375 1.00 34.13 H new ATOM 0 HD13 LEU A 70 3.915 -13.273 4.243 1.00 34.13 H new ATOM 0 HD21 LEU A 70 5.817 -10.956 3.478 1.00 23.42 H new ATOM 0 HD22 LEU A 70 5.799 -12.524 2.637 1.00 23.42 H new ATOM 0 HD23 LEU A 70 5.576 -11.018 1.716 1.00 23.42 H new ATOM 1107 N GLU A 71 3.766 -13.455 -1.504 1.00 14.31 N ATOM 1108 CA GLU A 71 3.357 -14.463 -2.492 1.00 12.31 C ATOM 1109 C GLU A 71 3.521 -15.899 -1.933 1.00 41.13 C ATOM 1110 O GLU A 71 2.511 -16.480 -1.482 1.00 38.30 O ATOM 1111 CB GLU A 71 4.113 -14.280 -3.836 1.00 23.53 C ATOM 1112 CG GLU A 71 5.644 -14.363 -3.770 1.00 2.20 C ATOM 1113 CD GLU A 71 6.301 -13.166 -3.095 1.00 72.14 C ATOM 1114 OE1 GLU A 71 6.490 -12.130 -3.764 1.00 61.52 O ATOM 1115 OE2 GLU A 71 6.651 -13.265 -1.898 1.00 62.02 O ATOM 0 H GLU A 71 4.771 -13.284 -1.468 1.00 14.31 H new ATOM 0 HA GLU A 71 2.297 -14.313 -2.696 1.00 12.31 H new ATOM 0 HB2 GLU A 71 3.759 -15.038 -4.534 1.00 23.53 H new ATOM 0 HB3 GLU A 71 3.840 -13.311 -4.253 1.00 23.53 H new ATOM 0 HG2 GLU A 71 5.926 -15.269 -3.234 1.00 2.20 H new ATOM 0 HG3 GLU A 71 6.036 -14.457 -4.783 1.00 2.20 H new TER 1122 GLU A 71