USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 896 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 150:sc= -4.13 (180deg=-7.47!) USER MOD Single : A 24 GLN : amide:sc= -1.88 K(o=-1.9,f=-1.2) USER MOD Single : A 27 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.33) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.158 K(o=-0.16,f=-2.6!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 61 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.42) USER MOD Single : A 62 ASN : amide:sc= -4.8! C(o=-4.8!,f=-2.2!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 83 SER OG : rot 180:sc= -1.31 USER MOD Single : A 89 MET CE :methyl -151:sc= -0.281 (180deg=-1.32!) USER MOD Single : A 96 GLN : amide:sc= -2.03 K(o=-2,f=-3.5!) USER MOD Single : A 101 CYS SG : rot -74:sc= 0.167 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot -32:sc= 1.01 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 55.773 9.459 9.315 1.00 0.51 N ATOM 21 CA ASP A 2 54.482 10.000 9.735 1.00 0.43 C ATOM 22 C ASP A 2 54.373 9.991 11.267 1.00 0.33 C ATOM 23 O ASP A 2 53.646 9.172 11.835 1.00 0.32 O ATOM 24 CB ASP A 2 53.346 9.181 9.108 1.00 0.48 C ATOM 25 CG ASP A 2 53.506 7.703 9.452 1.00 1.32 C ATOM 26 OD1 ASP A 2 52.608 7.159 10.072 1.00 2.03 O ATOM 27 OD2 ASP A 2 54.523 7.136 9.088 1.00 2.16 O ATOM 0 HA ASP A 2 54.400 11.032 9.393 1.00 0.43 H new ATOM 0 HB2 ASP A 2 52.384 9.544 9.471 1.00 0.48 H new ATOM 0 HB3 ASP A 2 53.349 9.312 8.026 1.00 0.48 H new ATOM 32 N PRO A 3 55.053 10.891 11.950 1.00 0.28 N ATOM 33 CA PRO A 3 55.041 10.911 13.447 1.00 0.21 C ATOM 34 C PRO A 3 53.637 11.141 14.006 1.00 0.19 C ATOM 35 O PRO A 3 52.775 11.694 13.326 1.00 0.21 O ATOM 36 CB PRO A 3 55.980 12.062 13.824 1.00 0.20 C ATOM 37 CG PRO A 3 56.045 12.931 12.617 1.00 0.33 C ATOM 38 CD PRO A 3 55.880 11.998 11.423 1.00 0.33 C ATOM 0 HA PRO A 3 55.361 9.956 13.864 1.00 0.21 H new ATOM 0 HB2 PRO A 3 55.600 12.613 14.685 1.00 0.20 H new ATOM 0 HB3 PRO A 3 56.968 11.690 14.094 1.00 0.20 H new ATOM 0 HG2 PRO A 3 55.258 13.685 12.635 1.00 0.33 H new ATOM 0 HG3 PRO A 3 56.995 13.463 12.569 1.00 0.33 H new ATOM 0 HD2 PRO A 3 55.391 12.500 10.588 1.00 0.33 H new ATOM 0 HD3 PRO A 3 56.843 11.640 11.060 1.00 0.33 H new ATOM 46 N LYS A 4 53.407 10.684 15.234 1.00 0.17 N ATOM 47 CA LYS A 4 52.110 10.864 15.883 1.00 0.16 C ATOM 48 C LYS A 4 52.193 11.949 16.957 1.00 0.14 C ATOM 49 O LYS A 4 53.149 11.994 17.729 1.00 0.12 O ATOM 50 CB LYS A 4 51.677 9.549 16.536 1.00 0.20 C ATOM 51 CG LYS A 4 51.501 8.471 15.464 1.00 0.24 C ATOM 52 CD LYS A 4 50.973 7.189 16.110 1.00 0.32 C ATOM 53 CE LYS A 4 50.915 6.074 15.064 1.00 0.59 C ATOM 54 NZ LYS A 4 50.315 4.854 15.671 1.00 1.24 N ATOM 0 H LYS A 4 54.098 10.189 15.798 1.00 0.17 H new ATOM 0 HA LYS A 4 51.384 11.164 15.128 1.00 0.16 H new ATOM 0 HB2 LYS A 4 52.423 9.232 17.265 1.00 0.20 H new ATOM 0 HB3 LYS A 4 50.742 9.692 17.078 1.00 0.20 H new ATOM 0 HG2 LYS A 4 50.808 8.816 14.697 1.00 0.24 H new ATOM 0 HG3 LYS A 4 52.453 8.276 14.970 1.00 0.24 H new ATOM 0 HD2 LYS A 4 51.619 6.893 16.936 1.00 0.32 H new ATOM 0 HD3 LYS A 4 49.981 7.362 16.527 1.00 0.32 H new ATOM 0 HE2 LYS A 4 50.323 6.395 14.207 1.00 0.59 H new ATOM 0 HE3 LYS A 4 51.917 5.854 14.695 1.00 0.59 H new ATOM 0 HZ1 LYS A 4 50.276 4.096 14.960 1.00 1.24 H new ATOM 0 HZ2 LYS A 4 50.897 4.544 16.475 1.00 1.24 H new ATOM 0 HZ3 LYS A 4 49.353 5.068 16.002 1.00 1.24 H new ATOM 68 N VAL A 5 51.190 12.824 17.014 1.00 0.14 N ATOM 69 CA VAL A 5 51.145 13.856 18.055 1.00 0.14 C ATOM 70 C VAL A 5 49.761 13.963 18.685 1.00 0.15 C ATOM 71 O VAL A 5 48.735 13.794 18.022 1.00 0.16 O ATOM 72 CB VAL A 5 51.564 15.229 17.513 1.00 0.16 C ATOM 73 CG1 VAL A 5 53.069 15.228 17.233 1.00 0.14 C ATOM 74 CG2 VAL A 5 50.800 15.562 16.226 1.00 0.19 C ATOM 0 H VAL A 5 50.406 12.842 16.362 1.00 0.14 H new ATOM 0 HA VAL A 5 51.857 13.548 18.821 1.00 0.14 H new ATOM 0 HB VAL A 5 51.327 15.987 18.260 1.00 0.16 H new ATOM 0 HG11 VAL A 5 53.368 16.203 16.848 1.00 0.14 H new ATOM 0 HG12 VAL A 5 53.611 15.021 18.156 1.00 0.14 H new ATOM 0 HG13 VAL A 5 53.301 14.460 16.496 1.00 0.14 H new ATOM 0 HG21 VAL A 5 51.113 16.540 15.860 1.00 0.19 H new ATOM 0 HG22 VAL A 5 51.013 14.806 15.470 1.00 0.19 H new ATOM 0 HG23 VAL A 5 49.730 15.577 16.432 1.00 0.19 H new ATOM 84 N LEU A 6 49.758 14.256 19.981 1.00 0.15 N ATOM 85 CA LEU A 6 48.517 14.427 20.730 1.00 0.16 C ATOM 86 C LEU A 6 48.279 15.906 21.025 1.00 0.19 C ATOM 87 O LEU A 6 49.194 16.624 21.427 1.00 0.19 O ATOM 88 CB LEU A 6 48.587 13.644 22.044 1.00 0.16 C ATOM 89 CG LEU A 6 47.226 13.673 22.744 1.00 0.17 C ATOM 90 CD1 LEU A 6 46.309 12.618 22.121 1.00 0.17 C ATOM 91 CD2 LEU A 6 47.416 13.368 24.231 1.00 0.18 C ATOM 0 H LEU A 6 50.604 14.381 20.537 1.00 0.15 H new ATOM 0 HA LEU A 6 47.691 14.047 20.129 1.00 0.16 H new ATOM 0 HB2 LEU A 6 48.882 12.613 21.847 1.00 0.16 H new ATOM 0 HB3 LEU A 6 49.349 14.075 22.694 1.00 0.16 H new ATOM 0 HG LEU A 6 46.776 14.659 22.627 1.00 0.17 H new ATOM 0 HD11 LEU A 6 45.340 12.638 22.619 1.00 0.17 H new ATOM 0 HD12 LEU A 6 46.176 12.832 21.060 1.00 0.17 H new ATOM 0 HD13 LEU A 6 46.757 11.631 22.239 1.00 0.17 H new ATOM 0 HD21 LEU A 6 46.449 13.388 24.733 1.00 0.18 H new ATOM 0 HD22 LEU A 6 47.864 12.381 24.346 1.00 0.18 H new ATOM 0 HD23 LEU A 6 48.071 14.118 24.675 1.00 0.18 H new ATOM 103 N ILE A 7 47.046 16.354 20.822 1.00 0.21 N ATOM 104 CA ILE A 7 46.704 17.758 21.036 1.00 0.23 C ATOM 105 C ILE A 7 45.947 17.923 22.348 1.00 0.23 C ATOM 106 O ILE A 7 45.033 17.156 22.647 1.00 0.23 O ATOM 107 CB ILE A 7 45.815 18.275 19.896 1.00 0.26 C ATOM 108 CG1 ILE A 7 46.471 18.025 18.536 1.00 0.28 C ATOM 109 CG2 ILE A 7 45.594 19.783 20.060 1.00 0.29 C ATOM 110 CD1 ILE A 7 45.416 18.197 17.445 1.00 0.32 C ATOM 0 H ILE A 7 46.269 15.771 20.511 1.00 0.21 H new ATOM 0 HA ILE A 7 47.633 18.328 21.067 1.00 0.23 H new ATOM 0 HB ILE A 7 44.865 17.743 19.939 1.00 0.26 H new ATOM 0 HG12 ILE A 7 47.294 18.722 18.379 1.00 0.28 H new ATOM 0 HG13 ILE A 7 46.893 17.021 18.499 1.00 0.28 H new ATOM 0 HG21 ILE A 7 44.963 20.148 19.250 1.00 0.29 H new ATOM 0 HG22 ILE A 7 45.107 19.978 21.016 1.00 0.29 H new ATOM 0 HG23 ILE A 7 46.555 20.297 20.031 1.00 0.29 H new ATOM 0 HD11 ILE A 7 45.870 18.022 16.469 1.00 0.32 H new ATOM 0 HD12 ILE A 7 44.609 17.482 17.604 1.00 0.32 H new ATOM 0 HD13 ILE A 7 45.016 19.210 17.482 1.00 0.32 H new ATOM 122 N MET A 8 46.334 18.927 23.124 1.00 0.24 N ATOM 123 CA MET A 8 45.598 19.274 24.331 1.00 0.25 C ATOM 124 C MET A 8 44.628 20.417 24.053 1.00 0.24 C ATOM 125 O MET A 8 44.988 21.409 23.420 1.00 0.23 O ATOM 126 CB MET A 8 46.587 19.676 25.424 1.00 0.26 C ATOM 127 CG MET A 8 47.448 18.464 25.780 1.00 0.34 C ATOM 128 SD MET A 8 48.469 18.858 27.217 1.00 1.03 S ATOM 129 CE MET A 8 47.139 18.852 28.445 1.00 0.41 C ATOM 0 H MET A 8 47.149 19.512 22.940 1.00 0.24 H new ATOM 0 HA MET A 8 45.021 18.410 24.661 1.00 0.25 H new ATOM 0 HB2 MET A 8 47.216 20.498 25.080 1.00 0.26 H new ATOM 0 HB3 MET A 8 46.052 20.031 26.305 1.00 0.26 H new ATOM 0 HG2 MET A 8 46.814 17.604 25.995 1.00 0.34 H new ATOM 0 HG3 MET A 8 48.080 18.191 24.935 1.00 0.34 H new ATOM 0 HE1 MET A 8 47.538 18.546 29.412 1.00 0.41 H new ATOM 0 HE2 MET A 8 46.716 19.853 28.528 1.00 0.41 H new ATOM 0 HE3 MET A 8 46.361 18.154 28.136 1.00 0.41 H new ATOM 139 N ARG A 9 43.394 20.271 24.527 1.00 0.30 N ATOM 140 CA ARG A 9 42.365 21.274 24.275 1.00 0.34 C ATOM 141 C ARG A 9 42.789 22.632 24.826 1.00 0.37 C ATOM 142 O ARG A 9 43.436 22.715 25.870 1.00 0.39 O ATOM 143 CB ARG A 9 41.045 20.850 24.921 1.00 0.42 C ATOM 144 CG ARG A 9 39.937 21.822 24.511 1.00 1.05 C ATOM 145 CD ARG A 9 38.631 21.429 25.202 1.00 1.05 C ATOM 146 NE ARG A 9 37.532 22.276 24.727 1.00 1.67 N ATOM 147 CZ ARG A 9 37.268 23.494 25.225 1.00 2.08 C ATOM 148 NH1 ARG A 9 37.983 24.027 26.187 1.00 2.79 N ATOM 149 NH2 ARG A 9 36.265 24.171 24.737 1.00 2.18 N ATOM 0 H ARG A 9 43.084 19.474 25.083 1.00 0.30 H new ATOM 0 HA ARG A 9 42.229 21.358 23.197 1.00 0.34 H new ATOM 0 HB2 ARG A 9 40.786 19.837 24.612 1.00 0.42 H new ATOM 0 HB3 ARG A 9 41.147 20.836 26.006 1.00 0.42 H new ATOM 0 HG2 ARG A 9 40.213 22.841 24.784 1.00 1.05 H new ATOM 0 HG3 ARG A 9 39.807 21.806 23.429 1.00 1.05 H new ATOM 0 HD2 ARG A 9 38.406 20.382 25.001 1.00 1.05 H new ATOM 0 HD3 ARG A 9 38.738 21.531 26.282 1.00 1.05 H new ATOM 0 HE ARG A 9 36.937 21.921 23.979 1.00 1.67 H new ATOM 0 HH11 ARG A 9 38.770 23.513 26.582 1.00 2.79 H new ATOM 0 HH12 ARG A 9 37.752 24.956 26.540 1.00 2.79 H new ATOM 0 HH21 ARG A 9 35.697 23.773 23.989 1.00 2.18 H new ATOM 0 HH22 ARG A 9 36.049 25.098 25.103 1.00 2.18 H new ATOM 163 N GLY A 10 42.418 23.691 24.116 1.00 0.41 N ATOM 164 CA GLY A 10 42.782 25.042 24.525 1.00 0.50 C ATOM 165 C GLY A 10 41.854 26.072 23.892 1.00 0.47 C ATOM 166 O GLY A 10 40.997 25.734 23.075 1.00 0.43 O ATOM 0 H GLY A 10 41.868 23.641 23.258 1.00 0.41 H new ATOM 0 HA2 GLY A 10 42.734 25.123 25.611 1.00 0.50 H new ATOM 0 HA3 GLY A 10 43.812 25.249 24.235 1.00 0.50 H new ATOM 170 N GLU A 11 42.031 27.333 24.276 1.00 0.56 N ATOM 171 CA GLU A 11 41.205 28.412 23.741 1.00 0.57 C ATOM 172 C GLU A 11 41.218 28.425 22.212 1.00 0.52 C ATOM 173 O GLU A 11 40.219 28.777 21.583 1.00 0.55 O ATOM 174 CB GLU A 11 41.708 29.759 24.265 1.00 0.67 C ATOM 175 CG GLU A 11 40.730 30.866 23.853 1.00 1.24 C ATOM 176 CD GLU A 11 41.227 32.255 24.272 1.00 1.59 C ATOM 177 OE1 GLU A 11 42.307 32.361 24.837 1.00 1.99 O ATOM 178 OE2 GLU A 11 40.508 33.207 24.018 1.00 2.15 O ATOM 0 H GLU A 11 42.734 27.632 24.951 1.00 0.56 H new ATOM 0 HA GLU A 11 40.180 28.242 24.071 1.00 0.57 H new ATOM 0 HB2 GLU A 11 41.801 29.727 25.351 1.00 0.67 H new ATOM 0 HB3 GLU A 11 42.700 29.969 23.866 1.00 0.67 H new ATOM 0 HG2 GLU A 11 40.589 30.842 22.772 1.00 1.24 H new ATOM 0 HG3 GLU A 11 39.757 30.677 24.306 1.00 1.24 H new ATOM 185 N GLY A 12 42.345 28.043 21.615 1.00 0.53 N ATOM 186 CA GLY A 12 42.458 28.025 20.162 1.00 0.57 C ATOM 187 C GLY A 12 41.599 26.917 19.563 1.00 0.50 C ATOM 188 O GLY A 12 40.989 26.132 20.289 1.00 0.48 O ATOM 0 H GLY A 12 43.185 27.745 22.111 1.00 0.53 H new ATOM 0 HA2 GLY A 12 42.149 28.989 19.757 1.00 0.57 H new ATOM 0 HA3 GLY A 12 43.499 27.878 19.876 1.00 0.57 H new ATOM 192 N GLY A 13 41.555 26.858 18.235 1.00 0.54 N ATOM 193 CA GLY A 13 40.731 25.868 17.553 1.00 0.53 C ATOM 194 C GLY A 13 41.489 24.561 17.343 1.00 0.49 C ATOM 195 O GLY A 13 42.499 24.519 16.638 1.00 0.44 O ATOM 0 H GLY A 13 42.076 27.479 17.615 1.00 0.54 H new ATOM 0 HA2 GLY A 13 39.830 25.678 18.137 1.00 0.53 H new ATOM 0 HA3 GLY A 13 40.409 26.262 16.589 1.00 0.53 H new ATOM 199 N ARG A 14 40.982 23.487 17.944 1.00 0.56 N ATOM 200 CA ARG A 14 41.597 22.174 17.781 1.00 0.57 C ATOM 201 C ARG A 14 41.668 21.796 16.305 1.00 0.48 C ATOM 202 O ARG A 14 42.684 21.291 15.832 1.00 0.45 O ATOM 203 CB ARG A 14 40.784 21.114 18.528 1.00 0.70 C ATOM 204 CG ARG A 14 40.839 21.377 20.034 1.00 0.94 C ATOM 205 CD ARG A 14 40.120 20.249 20.779 1.00 1.38 C ATOM 206 NE ARG A 14 38.735 20.129 20.311 1.00 1.56 N ATOM 207 CZ ARG A 14 37.847 19.275 20.841 1.00 2.22 C ATOM 208 NH1 ARG A 14 38.152 18.473 21.833 1.00 2.95 N ATOM 209 NH2 ARG A 14 36.637 19.241 20.353 1.00 2.44 N ATOM 0 H ARG A 14 40.156 23.500 18.542 1.00 0.56 H new ATOM 0 HA ARG A 14 42.606 22.219 18.191 1.00 0.57 H new ATOM 0 HB2 ARG A 14 39.749 21.129 18.185 1.00 0.70 H new ATOM 0 HB3 ARG A 14 41.177 20.121 18.309 1.00 0.70 H new ATOM 0 HG2 ARG A 14 41.876 21.442 20.364 1.00 0.94 H new ATOM 0 HG3 ARG A 14 40.371 22.334 20.264 1.00 0.94 H new ATOM 0 HD2 ARG A 14 40.646 19.308 20.622 1.00 1.38 H new ATOM 0 HD3 ARG A 14 40.133 20.447 21.851 1.00 1.38 H new ATOM 0 HE ARG A 14 38.431 20.726 19.542 1.00 1.56 H new ATOM 0 HH11 ARG A 14 39.092 18.485 22.228 1.00 2.95 H new ATOM 0 HH12 ARG A 14 37.449 17.837 22.209 1.00 2.95 H new ATOM 0 HH21 ARG A 14 36.381 19.857 19.582 1.00 2.44 H new ATOM 0 HH22 ARG A 14 35.948 18.598 20.743 1.00 2.44 H new ATOM 223 N GLU A 15 40.596 22.082 15.574 1.00 0.49 N ATOM 224 CA GLU A 15 40.532 21.722 14.164 1.00 0.48 C ATOM 225 C GLU A 15 41.638 22.414 13.371 1.00 0.41 C ATOM 226 O GLU A 15 42.282 21.793 12.527 1.00 0.42 O ATOM 227 CB GLU A 15 39.170 22.114 13.588 1.00 0.55 C ATOM 228 CG GLU A 15 39.039 21.567 12.161 1.00 1.20 C ATOM 229 CD GLU A 15 37.730 22.005 11.496 1.00 1.38 C ATOM 230 OE1 GLU A 15 36.961 22.733 12.108 1.00 1.91 O ATOM 231 OE2 GLU A 15 37.512 21.599 10.366 1.00 1.76 O ATOM 0 H GLU A 15 39.767 22.558 15.931 1.00 0.49 H new ATOM 0 HA GLU A 15 40.669 20.644 14.083 1.00 0.48 H new ATOM 0 HB2 GLU A 15 38.371 21.718 14.215 1.00 0.55 H new ATOM 0 HB3 GLU A 15 39.064 23.199 13.584 1.00 0.55 H new ATOM 0 HG2 GLU A 15 39.882 21.911 11.562 1.00 1.20 H new ATOM 0 HG3 GLU A 15 39.087 20.478 12.184 1.00 1.20 H new ATOM 238 N PHE A 16 41.881 23.686 13.668 1.00 0.39 N ATOM 239 CA PHE A 16 42.867 24.456 12.915 1.00 0.39 C ATOM 240 C PHE A 16 44.263 23.856 13.058 1.00 0.34 C ATOM 241 O PHE A 16 44.903 23.500 12.066 1.00 0.32 O ATOM 242 CB PHE A 16 42.882 25.903 13.406 1.00 0.47 C ATOM 243 CG PHE A 16 43.785 26.804 12.596 1.00 1.12 C ATOM 244 CD1 PHE A 16 43.310 27.396 11.420 1.00 2.21 C ATOM 245 CD2 PHE A 16 45.096 27.046 13.023 1.00 1.14 C ATOM 246 CE1 PHE A 16 44.147 28.229 10.669 1.00 3.16 C ATOM 247 CE2 PHE A 16 45.933 27.881 12.272 1.00 2.05 C ATOM 248 CZ PHE A 16 45.458 28.472 11.095 1.00 3.03 C ATOM 0 H PHE A 16 41.416 24.202 14.415 1.00 0.39 H new ATOM 0 HA PHE A 16 42.585 24.426 11.862 1.00 0.39 H new ATOM 0 HB2 PHE A 16 41.867 26.299 13.378 1.00 0.47 H new ATOM 0 HB3 PHE A 16 43.203 25.922 14.448 1.00 0.47 H new ATOM 0 HD1 PHE A 16 42.298 27.210 11.092 1.00 2.21 H new ATOM 0 HD2 PHE A 16 45.462 26.589 13.931 1.00 1.14 H new ATOM 0 HE1 PHE A 16 43.781 28.684 9.761 1.00 3.16 H new ATOM 0 HE2 PHE A 16 46.944 28.069 12.601 1.00 2.05 H new ATOM 0 HZ PHE A 16 46.103 29.116 10.516 1.00 3.03 H new ATOM 258 N LEU A 17 44.722 23.713 14.298 1.00 0.35 N ATOM 259 CA LEU A 17 46.073 23.214 14.540 1.00 0.34 C ATOM 260 C LEU A 17 46.247 21.814 13.959 1.00 0.30 C ATOM 261 O LEU A 17 47.262 21.512 13.327 1.00 0.29 O ATOM 262 CB LEU A 17 46.358 23.184 16.044 1.00 0.38 C ATOM 263 CG LEU A 17 46.181 24.584 16.638 1.00 1.16 C ATOM 264 CD1 LEU A 17 46.374 24.519 18.154 1.00 1.59 C ATOM 265 CD2 LEU A 17 47.222 25.537 16.042 1.00 1.76 C ATOM 0 H LEU A 17 44.188 23.932 15.139 1.00 0.35 H new ATOM 0 HA LEU A 17 46.777 23.885 14.049 1.00 0.34 H new ATOM 0 HB2 LEU A 17 45.684 22.483 16.536 1.00 0.38 H new ATOM 0 HB3 LEU A 17 47.373 22.829 16.223 1.00 0.38 H new ATOM 0 HG LEU A 17 45.180 24.948 16.405 1.00 1.16 H new ATOM 0 HD11 LEU A 17 46.249 25.515 18.580 1.00 1.59 H new ATOM 0 HD12 LEU A 17 45.635 23.844 18.586 1.00 1.59 H new ATOM 0 HD13 LEU A 17 47.376 24.152 18.378 1.00 1.59 H new ATOM 0 HD21 LEU A 17 47.091 26.532 16.468 1.00 1.76 H new ATOM 0 HD22 LEU A 17 48.223 25.172 16.272 1.00 1.76 H new ATOM 0 HD23 LEU A 17 47.093 25.586 14.961 1.00 1.76 H new ATOM 277 N ALA A 18 45.243 20.967 14.153 1.00 0.30 N ATOM 278 CA ALA A 18 45.319 19.594 13.676 1.00 0.31 C ATOM 279 C ALA A 18 45.439 19.551 12.158 1.00 0.29 C ATOM 280 O ALA A 18 46.206 18.759 11.615 1.00 0.26 O ATOM 281 CB ALA A 18 44.078 18.813 14.120 1.00 0.36 C ATOM 0 H ALA A 18 44.375 21.205 14.633 1.00 0.30 H new ATOM 0 HA ALA A 18 46.209 19.134 14.106 1.00 0.31 H new ATOM 0 HB1 ALA A 18 44.145 17.787 13.758 1.00 0.36 H new ATOM 0 HB2 ALA A 18 44.020 18.811 15.208 1.00 0.36 H new ATOM 0 HB3 ALA A 18 43.185 19.285 13.710 1.00 0.36 H new ATOM 287 N GLU A 19 44.698 20.418 11.475 1.00 0.32 N ATOM 288 CA GLU A 19 44.721 20.438 10.019 1.00 0.34 C ATOM 289 C GLU A 19 46.127 20.725 9.512 1.00 0.31 C ATOM 290 O GLU A 19 46.596 20.084 8.573 1.00 0.31 O ATOM 291 CB GLU A 19 43.758 21.504 9.495 1.00 0.39 C ATOM 292 CG GLU A 19 43.650 21.394 7.969 1.00 1.07 C ATOM 293 CD GLU A 19 42.767 22.497 7.374 1.00 1.42 C ATOM 294 OE1 GLU A 19 42.590 22.483 6.167 1.00 1.91 O ATOM 295 OE2 GLU A 19 42.279 23.340 8.115 1.00 1.91 O ATOM 0 H GLU A 19 44.081 21.109 11.902 1.00 0.32 H new ATOM 0 HA GLU A 19 44.409 19.459 9.655 1.00 0.34 H new ATOM 0 HB2 GLU A 19 42.776 21.376 9.949 1.00 0.39 H new ATOM 0 HB3 GLU A 19 44.111 22.497 9.774 1.00 0.39 H new ATOM 0 HG2 GLU A 19 44.646 21.451 7.530 1.00 1.07 H new ATOM 0 HG3 GLU A 19 43.240 20.419 7.704 1.00 1.07 H new ATOM 302 N ARG A 20 46.807 21.671 10.152 1.00 0.30 N ATOM 303 CA ARG A 20 48.157 22.034 9.725 1.00 0.30 C ATOM 304 C ARG A 20 49.103 20.835 9.799 1.00 0.27 C ATOM 305 O ARG A 20 49.751 20.477 8.810 1.00 0.27 O ATOM 306 CB ARG A 20 48.693 23.161 10.610 1.00 0.34 C ATOM 307 CG ARG A 20 50.030 23.657 10.057 1.00 1.05 C ATOM 308 CD ARG A 20 50.526 24.833 10.900 1.00 1.37 C ATOM 309 NE ARG A 20 50.920 24.367 12.233 1.00 2.18 N ATOM 310 CZ ARG A 20 51.171 25.193 13.261 1.00 2.66 C ATOM 311 NH1 ARG A 20 51.082 26.496 13.149 1.00 2.95 N ATOM 312 NH2 ARG A 20 51.516 24.681 14.410 1.00 3.24 N ATOM 0 H ARG A 20 46.455 22.193 10.954 1.00 0.30 H new ATOM 0 HA ARG A 20 48.106 22.368 8.689 1.00 0.30 H new ATOM 0 HB2 ARG A 20 47.976 23.981 10.645 1.00 0.34 H new ATOM 0 HB3 ARG A 20 48.821 22.805 11.632 1.00 0.34 H new ATOM 0 HG2 ARG A 20 50.763 22.851 10.071 1.00 1.05 H new ATOM 0 HG3 ARG A 20 49.914 23.964 9.018 1.00 1.05 H new ATOM 0 HD2 ARG A 20 51.373 25.311 10.408 1.00 1.37 H new ATOM 0 HD3 ARG A 20 49.742 25.585 10.986 1.00 1.37 H new ATOM 0 HE ARG A 20 51.008 23.363 12.387 1.00 2.18 H new ATOM 0 HH11 ARG A 20 50.814 26.914 12.258 1.00 2.95 H new ATOM 0 HH12 ARG A 20 51.280 27.092 13.953 1.00 2.95 H new ATOM 0 HH21 ARG A 20 51.591 23.669 14.516 1.00 3.24 H new ATOM 0 HH22 ARG A 20 51.711 25.292 15.203 1.00 3.24 H new ATOM 326 N LEU A 21 49.135 20.171 10.953 1.00 0.25 N ATOM 327 CA LEU A 21 50.034 19.033 11.130 1.00 0.23 C ATOM 328 C LEU A 21 49.687 17.904 10.160 1.00 0.21 C ATOM 329 O LEU A 21 50.575 17.227 9.643 1.00 0.21 O ATOM 330 CB LEU A 21 49.977 18.527 12.574 1.00 0.23 C ATOM 331 CG LEU A 21 50.615 19.562 13.507 1.00 0.24 C ATOM 332 CD1 LEU A 21 50.304 19.203 14.963 1.00 0.25 C ATOM 333 CD2 LEU A 21 52.135 19.576 13.299 1.00 0.24 C ATOM 0 H LEU A 21 48.560 20.396 11.765 1.00 0.25 H new ATOM 0 HA LEU A 21 51.049 19.368 10.914 1.00 0.23 H new ATOM 0 HB2 LEU A 21 48.942 18.348 12.867 1.00 0.23 H new ATOM 0 HB3 LEU A 21 50.501 17.575 12.657 1.00 0.23 H new ATOM 0 HG LEU A 21 50.209 20.548 13.281 1.00 0.24 H new ATOM 0 HD11 LEU A 21 50.759 19.940 15.625 1.00 0.25 H new ATOM 0 HD12 LEU A 21 49.224 19.197 15.114 1.00 0.25 H new ATOM 0 HD13 LEU A 21 50.707 18.216 15.188 1.00 0.25 H new ATOM 0 HD21 LEU A 21 52.586 20.313 13.963 1.00 0.24 H new ATOM 0 HD22 LEU A 21 52.542 18.589 13.521 1.00 0.24 H new ATOM 0 HD23 LEU A 21 52.358 19.836 12.264 1.00 0.24 H new ATOM 345 N ARG A 22 48.396 17.697 9.919 1.00 0.23 N ATOM 346 CA ARG A 22 47.957 16.650 9.002 1.00 0.23 C ATOM 347 C ARG A 22 48.461 16.919 7.588 1.00 0.23 C ATOM 348 O ARG A 22 48.944 16.013 6.912 1.00 0.24 O ATOM 349 CB ARG A 22 46.429 16.565 9.000 1.00 0.28 C ATOM 350 CG ARG A 22 45.981 15.369 8.158 1.00 1.02 C ATOM 351 CD ARG A 22 44.453 15.321 8.112 1.00 1.33 C ATOM 352 NE ARG A 22 44.005 14.113 7.411 1.00 2.08 N ATOM 353 CZ ARG A 22 42.713 13.787 7.251 1.00 2.67 C ATOM 354 NH1 ARG A 22 41.740 14.533 7.714 1.00 3.51 N ATOM 355 NH2 ARG A 22 42.415 12.689 6.613 1.00 2.70 N ATOM 0 H ARG A 22 47.640 18.236 10.342 1.00 0.23 H new ATOM 0 HA ARG A 22 48.373 15.701 9.342 1.00 0.23 H new ATOM 0 HB2 ARG A 22 46.059 16.463 10.020 1.00 0.28 H new ATOM 0 HB3 ARG A 22 46.004 17.485 8.598 1.00 0.28 H new ATOM 0 HG2 ARG A 22 46.383 15.451 7.148 1.00 1.02 H new ATOM 0 HG3 ARG A 22 46.372 14.445 8.583 1.00 1.02 H new ATOM 0 HD2 ARG A 22 44.051 15.333 9.125 1.00 1.33 H new ATOM 0 HD3 ARG A 22 44.069 16.207 7.606 1.00 1.33 H new ATOM 0 HE ARG A 22 44.713 13.488 7.025 1.00 2.08 H new ATOM 0 HH11 ARG A 22 41.953 15.395 8.216 1.00 3.51 H new ATOM 0 HH12 ARG A 22 40.770 14.252 7.572 1.00 3.51 H new ATOM 0 HH21 ARG A 22 43.158 12.095 6.246 1.00 2.70 H new ATOM 0 HH22 ARG A 22 41.439 12.425 6.481 1.00 2.70 H new ATOM 369 N GLY A 23 48.373 18.171 7.152 1.00 0.25 N ATOM 370 CA GLY A 23 48.810 18.533 5.805 1.00 0.28 C ATOM 371 C GLY A 23 50.288 18.213 5.579 1.00 0.27 C ATOM 372 O GLY A 23 50.694 17.910 4.456 1.00 0.30 O ATOM 0 H GLY A 23 48.007 18.947 7.704 1.00 0.25 H new ATOM 0 HA2 GLY A 23 48.207 17.998 5.072 1.00 0.28 H new ATOM 0 HA3 GLY A 23 48.640 19.597 5.642 1.00 0.28 H new ATOM 376 N GLN A 24 51.089 18.281 6.639 1.00 0.25 N ATOM 377 CA GLN A 24 52.514 17.966 6.525 1.00 0.27 C ATOM 378 C GLN A 24 52.830 16.478 6.726 1.00 0.26 C ATOM 379 O GLN A 24 53.999 16.112 6.849 1.00 0.28 O ATOM 380 CB GLN A 24 53.314 18.796 7.531 1.00 0.28 C ATOM 381 CG GLN A 24 53.206 20.277 7.163 1.00 0.31 C ATOM 382 CD GLN A 24 53.950 21.136 8.181 1.00 0.34 C ATOM 383 OE1 GLN A 24 54.205 20.700 9.305 1.00 0.33 O ATOM 384 NE2 GLN A 24 54.320 22.341 7.848 1.00 0.39 N ATOM 0 H GLN A 24 50.784 18.547 7.575 1.00 0.25 H new ATOM 0 HA GLN A 24 52.802 18.216 5.504 1.00 0.27 H new ATOM 0 HB2 GLN A 24 52.934 18.631 8.539 1.00 0.28 H new ATOM 0 HB3 GLN A 24 54.358 18.484 7.529 1.00 0.28 H new ATOM 0 HG2 GLN A 24 53.619 20.442 6.168 1.00 0.31 H new ATOM 0 HG3 GLN A 24 52.158 20.573 7.126 1.00 0.31 H new ATOM 0 HE21 GLN A 24 54.108 22.701 6.917 1.00 0.39 H new ATOM 0 HE22 GLN A 24 54.821 22.924 8.518 1.00 0.39 H new ATOM 393 N GLY A 25 51.811 15.622 6.763 1.00 0.24 N ATOM 394 CA GLY A 25 52.035 14.178 6.840 1.00 0.25 C ATOM 395 C GLY A 25 52.140 13.661 8.279 1.00 0.22 C ATOM 396 O GLY A 25 52.683 12.580 8.508 1.00 0.24 O ATOM 0 H GLY A 25 50.830 15.899 6.741 1.00 0.24 H new ATOM 0 HA2 GLY A 25 51.219 13.662 6.334 1.00 0.25 H new ATOM 0 HA3 GLY A 25 52.951 13.929 6.303 1.00 0.25 H new ATOM 400 N VAL A 26 51.627 14.420 9.245 1.00 0.20 N ATOM 401 CA VAL A 26 51.639 13.982 10.638 1.00 0.19 C ATOM 402 C VAL A 26 50.265 13.442 11.033 1.00 0.18 C ATOM 403 O VAL A 26 49.235 13.996 10.649 1.00 0.19 O ATOM 404 CB VAL A 26 52.019 15.150 11.559 1.00 0.20 C ATOM 405 CG1 VAL A 26 52.128 14.660 13.006 1.00 0.20 C ATOM 406 CG2 VAL A 26 53.369 15.732 11.130 1.00 0.23 C ATOM 0 H VAL A 26 51.201 15.334 9.091 1.00 0.20 H new ATOM 0 HA VAL A 26 52.379 13.189 10.745 1.00 0.19 H new ATOM 0 HB VAL A 26 51.247 15.917 11.488 1.00 0.20 H new ATOM 0 HG11 VAL A 26 52.398 15.494 13.653 1.00 0.20 H new ATOM 0 HG12 VAL A 26 51.170 14.249 13.324 1.00 0.20 H new ATOM 0 HG13 VAL A 26 52.894 13.887 13.072 1.00 0.20 H new ATOM 0 HG21 VAL A 26 53.633 16.560 11.787 1.00 0.23 H new ATOM 0 HG22 VAL A 26 54.135 14.959 11.194 1.00 0.23 H new ATOM 0 HG23 VAL A 26 53.301 16.091 10.103 1.00 0.23 H new ATOM 416 N GLN A 27 50.262 12.358 11.801 1.00 0.20 N ATOM 417 CA GLN A 27 49.015 11.778 12.286 1.00 0.22 C ATOM 418 C GLN A 27 48.553 12.547 13.517 1.00 0.20 C ATOM 419 O GLN A 27 49.318 12.730 14.464 1.00 0.20 O ATOM 420 CB GLN A 27 49.225 10.311 12.661 1.00 0.25 C ATOM 421 CG GLN A 27 49.691 9.521 11.437 1.00 0.28 C ATOM 422 CD GLN A 27 49.763 8.036 11.780 1.00 0.32 C ATOM 423 OE1 GLN A 27 48.740 7.349 11.782 1.00 0.35 O ATOM 424 NE2 GLN A 27 50.913 7.496 12.078 1.00 0.33 N ATOM 0 H GLN A 27 51.104 11.866 12.100 1.00 0.20 H new ATOM 0 HA GLN A 27 48.263 11.840 11.499 1.00 0.22 H new ATOM 0 HB2 GLN A 27 49.965 10.233 13.458 1.00 0.25 H new ATOM 0 HB3 GLN A 27 48.297 9.889 13.045 1.00 0.25 H new ATOM 0 HG2 GLN A 27 49.003 9.679 10.607 1.00 0.28 H new ATOM 0 HG3 GLN A 27 50.669 9.877 11.113 1.00 0.28 H new ATOM 0 HE21 GLN A 27 51.759 8.065 12.076 1.00 0.33 H new ATOM 0 HE22 GLN A 27 50.965 6.505 12.313 1.00 0.33 H new ATOM 433 N VAL A 28 47.295 12.980 13.521 1.00 0.21 N ATOM 434 CA VAL A 28 46.803 13.852 14.588 1.00 0.21 C ATOM 435 C VAL A 28 45.653 13.204 15.355 1.00 0.23 C ATOM 436 O VAL A 28 44.709 12.678 14.767 1.00 0.26 O ATOM 437 CB VAL A 28 46.337 15.192 13.995 1.00 0.27 C ATOM 438 CG1 VAL A 28 45.935 16.145 15.125 1.00 0.30 C ATOM 439 CG2 VAL A 28 47.471 15.831 13.186 1.00 0.28 C ATOM 0 H VAL A 28 46.604 12.746 12.808 1.00 0.21 H new ATOM 0 HA VAL A 28 47.623 14.022 15.286 1.00 0.21 H new ATOM 0 HB VAL A 28 45.483 15.009 13.343 1.00 0.27 H new ATOM 0 HG11 VAL A 28 45.605 17.094 14.701 1.00 0.30 H new ATOM 0 HG12 VAL A 28 45.122 15.703 15.702 1.00 0.30 H new ATOM 0 HG13 VAL A 28 46.791 16.317 15.778 1.00 0.30 H new ATOM 0 HG21 VAL A 28 47.131 16.780 12.770 1.00 0.28 H new ATOM 0 HG22 VAL A 28 48.328 16.006 13.836 1.00 0.28 H new ATOM 0 HG23 VAL A 28 47.761 15.162 12.375 1.00 0.28 H new ATOM 449 N ASP A 29 45.759 13.253 16.678 1.00 0.22 N ATOM 450 CA ASP A 29 44.658 12.866 17.552 1.00 0.25 C ATOM 451 C ASP A 29 44.548 13.868 18.697 1.00 0.22 C ATOM 452 O ASP A 29 45.555 14.237 19.299 1.00 0.21 O ATOM 453 CB ASP A 29 44.898 11.462 18.114 1.00 0.29 C ATOM 454 CG ASP A 29 43.683 10.987 18.908 1.00 0.35 C ATOM 455 OD1 ASP A 29 43.875 10.226 19.842 1.00 1.02 O ATOM 456 OD2 ASP A 29 42.578 11.382 18.569 1.00 1.12 O ATOM 0 H ASP A 29 46.599 13.558 17.170 1.00 0.22 H new ATOM 0 HA ASP A 29 43.730 12.860 16.980 1.00 0.25 H new ATOM 0 HB2 ASP A 29 45.101 10.768 17.299 1.00 0.29 H new ATOM 0 HB3 ASP A 29 45.779 11.467 18.755 1.00 0.29 H new ATOM 461 N TYR A 30 43.333 14.330 18.994 1.00 0.24 N ATOM 462 CA TYR A 30 43.139 15.327 20.049 1.00 0.25 C ATOM 463 C TYR A 30 42.313 14.752 21.200 1.00 0.25 C ATOM 464 O TYR A 30 41.331 14.044 20.980 1.00 0.28 O ATOM 465 CB TYR A 30 42.461 16.573 19.469 1.00 0.31 C ATOM 466 CG TYR A 30 41.025 16.362 19.052 1.00 0.36 C ATOM 467 CD1 TYR A 30 39.985 16.731 19.914 1.00 0.46 C ATOM 468 CD2 TYR A 30 40.736 15.799 17.804 1.00 0.37 C ATOM 469 CE1 TYR A 30 38.654 16.535 19.527 1.00 0.53 C ATOM 470 CE2 TYR A 30 39.404 15.604 17.416 1.00 0.44 C ATOM 471 CZ TYR A 30 38.363 15.971 18.278 1.00 0.50 C ATOM 472 OH TYR A 30 37.052 15.778 17.897 1.00 0.58 O ATOM 0 H TYR A 30 42.477 14.034 18.525 1.00 0.24 H new ATOM 0 HA TYR A 30 44.115 15.607 20.446 1.00 0.25 H new ATOM 0 HB2 TYR A 30 42.498 17.371 20.211 1.00 0.31 H new ATOM 0 HB3 TYR A 30 43.032 16.914 18.605 1.00 0.31 H new ATOM 0 HD1 TYR A 30 40.210 17.166 20.877 1.00 0.46 H new ATOM 0 HD2 TYR A 30 41.539 15.515 17.140 1.00 0.37 H new ATOM 0 HE1 TYR A 30 37.851 16.819 20.191 1.00 0.53 H new ATOM 0 HE2 TYR A 30 39.180 15.171 16.452 1.00 0.44 H new ATOM 0 HH TYR A 30 37.027 15.379 17.002 1.00 0.58 H new ATOM 482 N LEU A 31 42.724 15.065 22.428 1.00 0.23 N ATOM 483 CA LEU A 31 42.060 14.556 23.626 1.00 0.24 C ATOM 484 C LEU A 31 41.517 15.731 24.453 1.00 0.27 C ATOM 485 O LEU A 31 42.260 16.689 24.677 1.00 0.43 O ATOM 486 CB LEU A 31 43.084 13.779 24.467 1.00 0.26 C ATOM 487 CG LEU A 31 42.431 13.175 25.725 1.00 0.26 C ATOM 488 CD1 LEU A 31 41.902 11.770 25.423 1.00 0.24 C ATOM 489 CD2 LEU A 31 43.467 13.077 26.850 1.00 0.33 C ATOM 0 H LEU A 31 43.520 15.673 22.619 1.00 0.23 H new ATOM 0 HA LEU A 31 41.235 13.903 23.340 1.00 0.24 H new ATOM 0 HB2 LEU A 31 43.524 12.984 23.865 1.00 0.26 H new ATOM 0 HB3 LEU A 31 43.897 14.444 24.760 1.00 0.26 H new ATOM 0 HG LEU A 31 41.607 13.819 26.031 1.00 0.26 H new ATOM 0 HD11 LEU A 31 41.443 11.354 26.320 1.00 0.24 H new ATOM 0 HD12 LEU A 31 41.160 11.824 24.627 1.00 0.24 H new ATOM 0 HD13 LEU A 31 42.727 11.131 25.107 1.00 0.24 H new ATOM 0 HD21 LEU A 31 43.001 12.649 27.738 1.00 0.33 H new ATOM 0 HD22 LEU A 31 44.292 12.440 26.531 1.00 0.33 H new ATOM 0 HD23 LEU A 31 43.846 14.072 27.083 1.00 0.33 H new ATOM 501 N PRO A 32 40.277 15.711 24.907 1.00 0.23 N ATOM 502 CA PRO A 32 39.766 16.786 25.812 1.00 0.24 C ATOM 503 C PRO A 32 40.364 16.683 27.213 1.00 0.23 C ATOM 504 O PRO A 32 40.462 15.598 27.786 1.00 0.21 O ATOM 505 CB PRO A 32 38.251 16.581 25.842 1.00 0.28 C ATOM 506 CG PRO A 32 38.041 15.144 25.514 1.00 0.47 C ATOM 507 CD PRO A 32 39.217 14.718 24.634 1.00 0.37 C ATOM 0 HA PRO A 32 40.043 17.778 25.454 1.00 0.24 H new ATOM 0 HB2 PRO A 32 37.841 16.824 26.822 1.00 0.28 H new ATOM 0 HB3 PRO A 32 37.753 17.226 25.119 1.00 0.28 H new ATOM 0 HG2 PRO A 32 37.999 14.542 26.422 1.00 0.47 H new ATOM 0 HG3 PRO A 32 37.095 15.000 24.992 1.00 0.47 H new ATOM 0 HD2 PRO A 32 39.549 13.709 24.879 1.00 0.37 H new ATOM 0 HD3 PRO A 32 38.941 14.715 23.580 1.00 0.37 H new ATOM 515 N LEU A 33 40.715 17.828 27.785 1.00 0.26 N ATOM 516 CA LEU A 33 41.352 17.863 29.102 1.00 0.25 C ATOM 517 C LEU A 33 40.489 17.249 30.213 1.00 0.24 C ATOM 518 O LEU A 33 40.977 17.063 31.329 1.00 0.24 O ATOM 519 CB LEU A 33 41.710 19.310 29.463 1.00 0.28 C ATOM 520 CG LEU A 33 42.657 19.896 28.405 1.00 0.38 C ATOM 521 CD1 LEU A 33 42.892 21.401 28.646 1.00 0.33 C ATOM 522 CD2 LEU A 33 43.991 19.147 28.456 1.00 0.67 C ATOM 0 H LEU A 33 40.571 18.745 27.361 1.00 0.26 H new ATOM 0 HA LEU A 33 42.252 17.251 29.032 1.00 0.25 H new ATOM 0 HB2 LEU A 33 40.804 19.913 29.526 1.00 0.28 H new ATOM 0 HB3 LEU A 33 42.183 19.342 30.444 1.00 0.28 H new ATOM 0 HG LEU A 33 42.201 19.778 27.422 1.00 0.38 H new ATOM 0 HD11 LEU A 33 43.566 21.791 27.883 1.00 0.33 H new ATOM 0 HD12 LEU A 33 41.941 21.931 28.595 1.00 0.33 H new ATOM 0 HD13 LEU A 33 43.336 21.547 29.631 1.00 0.33 H new ATOM 0 HD21 LEU A 33 44.668 19.558 27.707 1.00 0.67 H new ATOM 0 HD22 LEU A 33 44.434 19.259 29.446 1.00 0.67 H new ATOM 0 HD23 LEU A 33 43.823 18.090 28.251 1.00 0.67 H new ATOM 534 N ASP A 34 39.226 16.934 29.930 1.00 0.25 N ATOM 535 CA ASP A 34 38.335 16.389 30.953 1.00 0.27 C ATOM 536 C ASP A 34 38.592 14.905 31.253 1.00 0.24 C ATOM 537 O ASP A 34 38.001 14.367 32.191 1.00 0.28 O ATOM 538 CB ASP A 34 36.880 16.566 30.510 1.00 0.34 C ATOM 539 CG ASP A 34 36.531 18.047 30.394 1.00 0.40 C ATOM 540 OD1 ASP A 34 35.688 18.371 29.573 1.00 1.07 O ATOM 541 OD2 ASP A 34 37.101 18.838 31.130 1.00 1.20 O ATOM 0 H ASP A 34 38.800 17.045 29.010 1.00 0.25 H new ATOM 0 HA ASP A 34 38.536 16.942 31.871 1.00 0.27 H new ATOM 0 HB2 ASP A 34 36.724 16.074 29.550 1.00 0.34 H new ATOM 0 HB3 ASP A 34 36.215 16.085 31.227 1.00 0.34 H new ATOM 546 N TYR A 35 39.456 14.237 30.481 1.00 0.20 N ATOM 547 CA TYR A 35 39.750 12.827 30.731 1.00 0.21 C ATOM 548 C TYR A 35 40.410 12.655 32.105 1.00 0.20 C ATOM 549 O TYR A 35 41.119 13.556 32.556 1.00 0.21 O ATOM 550 CB TYR A 35 40.657 12.272 29.627 1.00 0.26 C ATOM 551 CG TYR A 35 39.891 11.688 28.463 1.00 0.34 C ATOM 552 CD1 TYR A 35 39.894 10.304 28.251 1.00 0.64 C ATOM 553 CD2 TYR A 35 39.174 12.525 27.602 1.00 0.33 C ATOM 554 CE1 TYR A 35 39.182 9.758 27.177 1.00 0.74 C ATOM 555 CE2 TYR A 35 38.460 11.979 26.528 1.00 0.38 C ATOM 556 CZ TYR A 35 38.465 10.596 26.315 1.00 0.54 C ATOM 557 OH TYR A 35 37.762 10.057 25.257 1.00 0.64 O ATOM 0 H TYR A 35 39.956 14.644 29.691 1.00 0.20 H new ATOM 0 HA TYR A 35 38.814 12.268 30.726 1.00 0.21 H new ATOM 0 HB2 TYR A 35 41.305 13.069 29.263 1.00 0.26 H new ATOM 0 HB3 TYR A 35 41.304 11.503 30.050 1.00 0.26 H new ATOM 0 HD1 TYR A 35 40.446 9.657 28.917 1.00 0.64 H new ATOM 0 HD2 TYR A 35 39.171 13.593 27.765 1.00 0.33 H new ATOM 0 HE1 TYR A 35 39.186 8.690 27.013 1.00 0.74 H new ATOM 0 HE2 TYR A 35 37.905 12.626 25.864 1.00 0.38 H new ATOM 0 HH TYR A 35 37.319 10.775 24.758 1.00 0.64 H new ATOM 567 N PRO A 36 40.201 11.543 32.783 1.00 0.23 N ATOM 568 CA PRO A 36 40.776 11.339 34.147 1.00 0.25 C ATOM 569 C PRO A 36 42.243 10.915 34.124 1.00 0.22 C ATOM 570 O PRO A 36 42.732 10.345 33.148 1.00 0.21 O ATOM 571 CB PRO A 36 39.906 10.231 34.740 1.00 0.30 C ATOM 572 CG PRO A 36 39.477 9.413 33.571 1.00 0.31 C ATOM 573 CD PRO A 36 39.404 10.365 32.376 1.00 0.27 C ATOM 0 HA PRO A 36 40.769 12.264 34.724 1.00 0.25 H new ATOM 0 HB2 PRO A 36 40.465 9.631 35.458 1.00 0.30 H new ATOM 0 HB3 PRO A 36 39.047 10.644 35.270 1.00 0.30 H new ATOM 0 HG2 PRO A 36 40.185 8.607 33.381 1.00 0.31 H new ATOM 0 HG3 PRO A 36 38.508 8.949 33.757 1.00 0.31 H new ATOM 0 HD2 PRO A 36 39.811 9.903 31.477 1.00 0.27 H new ATOM 0 HD3 PRO A 36 38.374 10.642 32.153 1.00 0.27 H new ATOM 581 N ALA A 37 42.933 11.151 35.237 1.00 0.23 N ATOM 582 CA ALA A 37 44.353 10.827 35.340 1.00 0.21 C ATOM 583 C ALA A 37 44.618 9.372 34.962 1.00 0.20 C ATOM 584 O ALA A 37 43.756 8.509 35.126 1.00 0.21 O ATOM 585 CB ALA A 37 44.842 11.080 36.768 1.00 0.24 C ATOM 0 H ALA A 37 42.533 11.565 36.079 1.00 0.23 H new ATOM 0 HA ALA A 37 44.895 11.467 34.644 1.00 0.21 H new ATOM 0 HB1 ALA A 37 45.902 10.836 36.838 1.00 0.24 H new ATOM 0 HB2 ALA A 37 44.693 12.129 37.023 1.00 0.24 H new ATOM 0 HB3 ALA A 37 44.279 10.455 37.461 1.00 0.24 H new ATOM 591 N GLY A 38 45.819 9.112 34.455 1.00 0.18 N ATOM 592 CA GLY A 38 46.176 7.771 34.010 1.00 0.18 C ATOM 593 C GLY A 38 45.975 7.606 32.506 1.00 0.17 C ATOM 594 O GLY A 38 46.788 6.967 31.834 1.00 0.17 O ATOM 0 H GLY A 38 46.557 9.808 34.343 1.00 0.18 H new ATOM 0 HA2 GLY A 38 47.217 7.568 34.263 1.00 0.18 H new ATOM 0 HA3 GLY A 38 45.570 7.037 34.541 1.00 0.18 H new ATOM 598 N GLU A 39 44.913 8.205 31.967 1.00 0.19 N ATOM 599 CA GLU A 39 44.622 8.062 30.543 1.00 0.21 C ATOM 600 C GLU A 39 45.747 8.642 29.692 1.00 0.19 C ATOM 601 O GLU A 39 46.100 8.080 28.656 1.00 0.19 O ATOM 602 CB GLU A 39 43.304 8.759 30.196 1.00 0.28 C ATOM 603 CG GLU A 39 42.150 8.049 30.911 1.00 0.33 C ATOM 604 CD GLU A 39 42.022 6.591 30.458 1.00 1.00 C ATOM 605 OE1 GLU A 39 42.548 6.248 29.409 1.00 1.77 O ATOM 606 OE2 GLU A 39 41.391 5.832 31.175 1.00 1.63 O ATOM 0 H GLU A 39 44.251 8.784 32.485 1.00 0.19 H new ATOM 0 HA GLU A 39 44.535 6.997 30.326 1.00 0.21 H new ATOM 0 HB2 GLU A 39 43.343 9.806 30.496 1.00 0.28 H new ATOM 0 HB3 GLU A 39 43.144 8.742 29.118 1.00 0.28 H new ATOM 0 HG2 GLU A 39 42.312 8.084 31.988 1.00 0.33 H new ATOM 0 HG3 GLU A 39 41.217 8.576 30.711 1.00 0.33 H new ATOM 613 N LEU A 40 46.331 9.747 30.145 1.00 0.20 N ATOM 614 CA LEU A 40 47.390 10.401 29.388 1.00 0.21 C ATOM 615 C LEU A 40 48.553 9.439 29.170 1.00 0.16 C ATOM 616 O LEU A 40 49.024 9.259 28.048 1.00 0.16 O ATOM 617 CB LEU A 40 47.878 11.636 30.150 1.00 0.25 C ATOM 618 CG LEU A 40 48.909 12.399 29.316 1.00 0.28 C ATOM 619 CD1 LEU A 40 48.202 13.131 28.174 1.00 0.31 C ATOM 620 CD2 LEU A 40 49.628 13.418 30.206 1.00 0.33 C ATOM 0 H LEU A 40 46.091 10.204 31.025 1.00 0.20 H new ATOM 0 HA LEU A 40 46.997 10.704 28.418 1.00 0.21 H new ATOM 0 HB2 LEU A 40 47.034 12.286 30.382 1.00 0.25 H new ATOM 0 HB3 LEU A 40 48.319 11.335 31.100 1.00 0.25 H new ATOM 0 HG LEU A 40 49.634 11.698 28.903 1.00 0.28 H new ATOM 0 HD11 LEU A 40 48.937 13.674 27.580 1.00 0.31 H new ATOM 0 HD12 LEU A 40 47.688 12.408 27.541 1.00 0.31 H new ATOM 0 HD13 LEU A 40 47.477 13.833 28.586 1.00 0.31 H new ATOM 0 HD21 LEU A 40 50.363 13.963 29.614 1.00 0.33 H new ATOM 0 HD22 LEU A 40 48.901 14.119 30.617 1.00 0.33 H new ATOM 0 HD23 LEU A 40 50.132 12.898 31.021 1.00 0.33 H new ATOM 632 N LEU A 41 48.977 8.781 30.243 1.00 0.14 N ATOM 633 CA LEU A 41 50.143 7.907 30.171 1.00 0.15 C ATOM 634 C LEU A 41 49.888 6.725 29.241 1.00 0.14 C ATOM 635 O LEU A 41 50.724 6.398 28.400 1.00 0.16 O ATOM 636 CB LEU A 41 50.497 7.395 31.568 1.00 0.19 C ATOM 637 CG LEU A 41 51.821 6.628 31.521 1.00 0.23 C ATOM 638 CD1 LEU A 41 52.980 7.618 31.393 1.00 0.30 C ATOM 639 CD2 LEU A 41 51.984 5.817 32.809 1.00 0.36 C ATOM 0 H LEU A 41 48.538 8.834 31.162 1.00 0.14 H new ATOM 0 HA LEU A 41 50.976 8.486 29.771 1.00 0.15 H new ATOM 0 HB2 LEU A 41 50.576 8.231 32.262 1.00 0.19 H new ATOM 0 HB3 LEU A 41 49.704 6.746 31.939 1.00 0.19 H new ATOM 0 HG LEU A 41 51.822 5.955 30.663 1.00 0.23 H new ATOM 0 HD11 LEU A 41 53.923 7.072 31.360 1.00 0.30 H new ATOM 0 HD12 LEU A 41 52.864 8.198 30.477 1.00 0.30 H new ATOM 0 HD13 LEU A 41 52.980 8.291 32.251 1.00 0.30 H new ATOM 0 HD21 LEU A 41 52.926 5.270 32.778 1.00 0.36 H new ATOM 0 HD22 LEU A 41 51.984 6.491 33.666 1.00 0.36 H new ATOM 0 HD23 LEU A 41 51.158 5.112 32.902 1.00 0.36 H new ATOM 651 N ALA A 42 48.720 6.103 29.376 1.00 0.15 N ATOM 652 CA ALA A 42 48.415 4.915 28.586 1.00 0.20 C ATOM 653 C ALA A 42 48.415 5.241 27.098 1.00 0.21 C ATOM 654 O ALA A 42 48.978 4.497 26.297 1.00 0.24 O ATOM 655 CB ALA A 42 47.052 4.350 28.992 1.00 0.25 C ATOM 0 H ALA A 42 47.980 6.396 30.014 1.00 0.15 H new ATOM 0 HA ALA A 42 49.186 4.169 28.778 1.00 0.20 H new ATOM 0 HB1 ALA A 42 46.834 3.464 28.397 1.00 0.25 H new ATOM 0 HB2 ALA A 42 47.069 4.082 30.048 1.00 0.25 H new ATOM 0 HB3 ALA A 42 46.281 5.101 28.821 1.00 0.25 H new ATOM 661 N ARG A 43 47.798 6.358 26.735 1.00 0.21 N ATOM 662 CA ARG A 43 47.727 6.754 25.333 1.00 0.25 C ATOM 663 C ARG A 43 49.124 6.968 24.762 1.00 0.22 C ATOM 664 O ARG A 43 49.417 6.520 23.656 1.00 0.25 O ATOM 665 CB ARG A 43 46.903 8.035 25.192 1.00 0.31 C ATOM 666 CG ARG A 43 46.715 8.369 23.710 1.00 1.18 C ATOM 667 CD ARG A 43 45.976 9.700 23.577 1.00 1.43 C ATOM 668 NE ARG A 43 44.654 9.607 24.203 1.00 2.09 N ATOM 669 CZ ARG A 43 43.642 8.887 23.693 1.00 2.23 C ATOM 670 NH1 ARG A 43 43.758 8.214 22.573 1.00 2.57 N ATOM 671 NH2 ARG A 43 42.505 8.856 24.331 1.00 2.33 N ATOM 0 H ARG A 43 47.344 7.001 27.384 1.00 0.21 H new ATOM 0 HA ARG A 43 47.244 5.954 24.773 1.00 0.25 H new ATOM 0 HB2 ARG A 43 45.932 7.909 25.672 1.00 0.31 H new ATOM 0 HB3 ARG A 43 47.405 8.859 25.699 1.00 0.31 H new ATOM 0 HG2 ARG A 43 47.684 8.428 23.214 1.00 1.18 H new ATOM 0 HG3 ARG A 43 46.152 7.577 23.216 1.00 1.18 H new ATOM 0 HD2 ARG A 43 46.555 10.495 24.048 1.00 1.43 H new ATOM 0 HD3 ARG A 43 45.871 9.963 22.524 1.00 1.43 H new ATOM 0 HE ARG A 43 44.494 10.116 25.072 1.00 2.09 H new ATOM 0 HH11 ARG A 43 44.639 8.227 22.059 1.00 2.57 H new ATOM 0 HH12 ARG A 43 42.967 7.678 22.216 1.00 2.57 H new ATOM 0 HH21 ARG A 43 42.395 9.374 25.203 1.00 2.33 H new ATOM 0 HH22 ARG A 43 41.725 8.314 23.958 1.00 2.33 H new ATOM 685 N VAL A 44 49.991 7.619 25.531 1.00 0.18 N ATOM 686 CA VAL A 44 51.335 7.924 25.050 1.00 0.20 C ATOM 687 C VAL A 44 52.089 6.632 24.736 1.00 0.21 C ATOM 688 O VAL A 44 52.737 6.533 23.692 1.00 0.24 O ATOM 689 CB VAL A 44 52.088 8.758 26.099 1.00 0.23 C ATOM 690 CG1 VAL A 44 53.518 9.065 25.631 1.00 0.29 C ATOM 691 CG2 VAL A 44 51.350 10.081 26.332 1.00 0.25 C ATOM 0 H VAL A 44 49.792 7.942 26.478 1.00 0.18 H new ATOM 0 HA VAL A 44 51.264 8.507 24.132 1.00 0.20 H new ATOM 0 HB VAL A 44 52.132 8.182 27.023 1.00 0.23 H new ATOM 0 HG11 VAL A 44 54.030 9.656 26.390 1.00 0.29 H new ATOM 0 HG12 VAL A 44 54.057 8.131 25.473 1.00 0.29 H new ATOM 0 HG13 VAL A 44 53.483 9.626 24.697 1.00 0.29 H new ATOM 0 HG21 VAL A 44 51.886 10.670 27.076 1.00 0.25 H new ATOM 0 HG22 VAL A 44 51.298 10.638 25.397 1.00 0.25 H new ATOM 0 HG23 VAL A 44 50.341 9.877 26.689 1.00 0.25 H new ATOM 701 N ARG A 45 52.003 5.659 25.638 1.00 0.22 N ATOM 702 CA ARG A 45 52.745 4.412 25.479 1.00 0.27 C ATOM 703 C ARG A 45 52.226 3.585 24.302 1.00 0.29 C ATOM 704 O ARG A 45 53.002 3.152 23.450 1.00 0.34 O ATOM 705 CB ARG A 45 52.647 3.588 26.766 1.00 0.28 C ATOM 706 CG ARG A 45 53.554 2.360 26.668 1.00 1.24 C ATOM 707 CD ARG A 45 53.367 1.485 27.908 1.00 1.65 C ATOM 708 NE ARG A 45 53.725 2.234 29.116 1.00 2.37 N ATOM 709 CZ ARG A 45 53.683 1.710 30.352 1.00 3.04 C ATOM 710 NH1 ARG A 45 53.316 0.472 30.575 1.00 3.36 N ATOM 711 NH2 ARG A 45 54.019 2.461 31.365 1.00 3.68 N ATOM 0 H ARG A 45 51.431 5.708 26.481 1.00 0.22 H new ATOM 0 HA ARG A 45 53.784 4.668 25.274 1.00 0.27 H new ATOM 0 HB2 ARG A 45 52.937 4.198 27.622 1.00 0.28 H new ATOM 0 HB3 ARG A 45 51.616 3.277 26.931 1.00 0.28 H new ATOM 0 HG2 ARG A 45 53.317 1.791 25.769 1.00 1.24 H new ATOM 0 HG3 ARG A 45 54.595 2.670 26.583 1.00 1.24 H new ATOM 0 HD2 ARG A 45 52.332 1.150 27.973 1.00 1.65 H new ATOM 0 HD3 ARG A 45 53.987 0.592 27.828 1.00 1.65 H new ATOM 0 HE ARG A 45 54.022 3.204 29.013 1.00 2.37 H new ATOM 0 HH11 ARG A 45 53.050 -0.129 29.795 1.00 3.36 H new ATOM 0 HH12 ARG A 45 53.297 0.110 31.528 1.00 3.36 H new ATOM 0 HH21 ARG A 45 54.307 3.427 31.210 1.00 3.68 H new ATOM 0 HH22 ARG A 45 53.994 2.082 32.312 1.00 3.68 H new ATOM 725 N ALA A 46 50.915 3.367 24.258 1.00 0.28 N ATOM 726 CA ALA A 46 50.328 2.496 23.245 1.00 0.33 C ATOM 727 C ALA A 46 50.462 3.092 21.848 1.00 0.35 C ATOM 728 O ALA A 46 50.814 2.391 20.899 1.00 0.40 O ATOM 729 CB ALA A 46 48.850 2.261 23.557 1.00 0.34 C ATOM 0 H ALA A 46 50.243 3.778 24.907 1.00 0.28 H new ATOM 0 HA ALA A 46 50.869 1.550 23.265 1.00 0.33 H new ATOM 0 HB1 ALA A 46 48.417 1.610 22.798 1.00 0.34 H new ATOM 0 HB2 ALA A 46 48.755 1.790 24.535 1.00 0.34 H new ATOM 0 HB3 ALA A 46 48.323 3.215 23.561 1.00 0.34 H new ATOM 735 N GLU A 47 50.180 4.384 21.721 1.00 0.32 N ATOM 736 CA GLU A 47 50.285 5.054 20.426 1.00 0.35 C ATOM 737 C GLU A 47 51.732 5.398 20.045 1.00 0.34 C ATOM 738 O GLU A 47 51.988 5.789 18.907 1.00 0.38 O ATOM 739 CB GLU A 47 49.454 6.338 20.443 1.00 0.35 C ATOM 740 CG GLU A 47 47.975 5.989 20.654 1.00 0.47 C ATOM 741 CD GLU A 47 47.084 7.233 20.594 1.00 1.24 C ATOM 742 OE1 GLU A 47 45.877 7.057 20.553 1.00 1.85 O ATOM 743 OE2 GLU A 47 47.602 8.341 20.599 1.00 1.88 O ATOM 0 H GLU A 47 49.880 4.985 22.489 1.00 0.32 H new ATOM 0 HA GLU A 47 49.908 4.356 19.678 1.00 0.35 H new ATOM 0 HB2 GLU A 47 49.800 6.997 21.239 1.00 0.35 H new ATOM 0 HB3 GLU A 47 49.581 6.878 19.505 1.00 0.35 H new ATOM 0 HG2 GLU A 47 47.657 5.277 19.892 1.00 0.47 H new ATOM 0 HG3 GLU A 47 47.851 5.499 21.620 1.00 0.47 H new ATOM 750 N ARG A 48 52.681 5.256 20.975 1.00 0.32 N ATOM 751 CA ARG A 48 54.077 5.583 20.692 1.00 0.35 C ATOM 752 C ARG A 48 54.198 7.013 20.160 1.00 0.30 C ATOM 753 O ARG A 48 54.741 7.256 19.080 1.00 0.34 O ATOM 754 CB ARG A 48 54.648 4.581 19.684 1.00 0.44 C ATOM 755 CG ARG A 48 54.623 3.177 20.291 1.00 1.19 C ATOM 756 CD ARG A 48 55.291 2.191 19.331 1.00 1.39 C ATOM 757 NE ARG A 48 55.097 0.817 19.802 1.00 2.00 N ATOM 758 CZ ARG A 48 55.951 -0.184 19.540 1.00 2.75 C ATOM 759 NH1 ARG A 48 57.035 -0.010 18.824 1.00 3.60 N ATOM 760 NH2 ARG A 48 55.692 -1.373 20.013 1.00 2.98 N ATOM 0 H ARG A 48 52.508 4.919 21.922 1.00 0.32 H new ATOM 0 HA ARG A 48 54.650 5.519 21.617 1.00 0.35 H new ATOM 0 HB2 ARG A 48 54.064 4.602 18.764 1.00 0.44 H new ATOM 0 HB3 ARG A 48 55.669 4.856 19.420 1.00 0.44 H new ATOM 0 HG2 ARG A 48 55.142 3.175 21.250 1.00 1.19 H new ATOM 0 HG3 ARG A 48 53.595 2.872 20.485 1.00 1.19 H new ATOM 0 HD2 ARG A 48 54.871 2.304 18.332 1.00 1.39 H new ATOM 0 HD3 ARG A 48 56.356 2.410 19.255 1.00 1.39 H new ATOM 0 HE ARG A 48 54.268 0.610 20.359 1.00 2.00 H new ATOM 0 HH11 ARG A 48 57.253 0.911 18.445 1.00 3.60 H new ATOM 0 HH12 ARG A 48 57.660 -0.796 18.646 1.00 3.60 H new ATOM 0 HH21 ARG A 48 54.852 -1.528 20.571 1.00 2.98 H new ATOM 0 HH22 ARG A 48 56.329 -2.147 19.825 1.00 2.98 H new ATOM 774 N LEU A 49 53.687 7.963 20.937 1.00 0.23 N ATOM 775 CA LEU A 49 53.646 9.352 20.494 1.00 0.18 C ATOM 776 C LEU A 49 55.048 9.934 20.358 1.00 0.19 C ATOM 777 O LEU A 49 55.936 9.655 21.163 1.00 0.26 O ATOM 778 CB LEU A 49 52.850 10.215 21.479 1.00 0.20 C ATOM 779 CG LEU A 49 51.405 9.721 21.588 1.00 0.23 C ATOM 780 CD1 LEU A 49 50.672 10.562 22.635 1.00 0.28 C ATOM 781 CD2 LEU A 49 50.703 9.882 20.237 1.00 0.20 C ATOM 0 H LEU A 49 53.300 7.799 21.866 1.00 0.23 H new ATOM 0 HA LEU A 49 53.159 9.360 19.519 1.00 0.18 H new ATOM 0 HB2 LEU A 49 53.324 10.187 22.460 1.00 0.20 H new ATOM 0 HB3 LEU A 49 52.860 11.254 21.150 1.00 0.20 H new ATOM 0 HG LEU A 49 51.398 8.670 21.877 1.00 0.23 H new ATOM 0 HD11 LEU A 49 49.641 10.219 22.721 1.00 0.28 H new ATOM 0 HD12 LEU A 49 51.170 10.458 23.599 1.00 0.28 H new ATOM 0 HD13 LEU A 49 50.682 11.609 22.332 1.00 0.28 H new ATOM 0 HD21 LEU A 49 49.675 9.530 20.317 1.00 0.20 H new ATOM 0 HD22 LEU A 49 50.705 10.933 19.949 1.00 0.20 H new ATOM 0 HD23 LEU A 49 51.229 9.298 19.482 1.00 0.20 H new ATOM 793 N ASN A 50 55.226 10.747 19.323 1.00 0.17 N ATOM 794 CA ASN A 50 56.487 11.437 19.095 1.00 0.21 C ATOM 795 C ASN A 50 56.494 12.788 19.799 1.00 0.23 C ATOM 796 O ASN A 50 57.516 13.195 20.348 1.00 0.31 O ATOM 797 CB ASN A 50 56.695 11.684 17.602 1.00 0.22 C ATOM 798 CG ASN A 50 56.910 10.374 16.858 1.00 0.20 C ATOM 799 OD1 ASN A 50 55.953 9.649 16.589 1.00 0.19 O ATOM 800 ND2 ASN A 50 58.115 10.044 16.486 1.00 0.24 N ATOM 0 H ASN A 50 54.508 10.944 18.626 1.00 0.17 H new ATOM 0 HA ASN A 50 57.284 10.806 19.489 1.00 0.21 H new ATOM 0 HB2 ASN A 50 55.828 12.202 17.191 1.00 0.22 H new ATOM 0 HB3 ASN A 50 57.556 12.336 17.454 1.00 0.22 H new ATOM 0 HD21 ASN A 50 58.270 9.179 15.968 1.00 0.24 H new ATOM 0 HD22 ASN A 50 58.903 10.651 16.713 1.00 0.24 H new ATOM 807 N GLY A 51 55.359 13.487 19.764 1.00 0.18 N ATOM 808 CA GLY A 51 55.309 14.838 20.322 1.00 0.19 C ATOM 809 C GLY A 51 53.950 15.192 20.918 1.00 0.16 C ATOM 810 O GLY A 51 52.922 14.590 20.605 1.00 0.15 O ATOM 0 H GLY A 51 54.482 13.151 19.366 1.00 0.18 H new ATOM 0 HA2 GLY A 51 56.073 14.934 21.093 1.00 0.19 H new ATOM 0 HA3 GLY A 51 55.554 15.557 19.540 1.00 0.19 H new ATOM 814 N LEU A 52 53.971 16.197 21.787 1.00 0.15 N ATOM 815 CA LEU A 52 52.757 16.704 22.421 1.00 0.14 C ATOM 816 C LEU A 52 52.654 18.211 22.199 1.00 0.14 C ATOM 817 O LEU A 52 53.657 18.914 22.261 1.00 0.14 O ATOM 818 CB LEU A 52 52.786 16.415 23.927 1.00 0.15 C ATOM 819 CG LEU A 52 52.980 14.916 24.175 1.00 0.16 C ATOM 820 CD1 LEU A 52 53.107 14.661 25.678 1.00 0.19 C ATOM 821 CD2 LEU A 52 51.772 14.146 23.637 1.00 0.16 C ATOM 0 H LEU A 52 54.823 16.681 22.071 1.00 0.15 H new ATOM 0 HA LEU A 52 51.894 16.206 21.978 1.00 0.14 H new ATOM 0 HB2 LEU A 52 53.594 16.976 24.397 1.00 0.15 H new ATOM 0 HB3 LEU A 52 51.856 16.750 24.387 1.00 0.15 H new ATOM 0 HG LEU A 52 53.884 14.581 23.666 1.00 0.16 H new ATOM 0 HD11 LEU A 52 53.245 13.594 25.856 1.00 0.19 H new ATOM 0 HD12 LEU A 52 53.965 15.208 26.069 1.00 0.19 H new ATOM 0 HD13 LEU A 52 52.201 14.999 26.182 1.00 0.19 H new ATOM 0 HD21 LEU A 52 51.912 13.080 23.814 1.00 0.16 H new ATOM 0 HD22 LEU A 52 50.869 14.483 24.146 1.00 0.16 H new ATOM 0 HD23 LEU A 52 51.673 14.326 22.566 1.00 0.16 H new ATOM 833 N VAL A 53 51.446 18.711 21.944 1.00 0.16 N ATOM 834 CA VAL A 53 51.256 20.142 21.694 1.00 0.17 C ATOM 835 C VAL A 53 50.309 20.749 22.730 1.00 0.17 C ATOM 836 O VAL A 53 49.220 20.227 22.962 1.00 0.19 O ATOM 837 CB VAL A 53 50.676 20.359 20.289 1.00 0.19 C ATOM 838 CG1 VAL A 53 50.578 21.857 19.987 1.00 0.21 C ATOM 839 CG2 VAL A 53 51.577 19.707 19.237 1.00 0.19 C ATOM 0 H VAL A 53 50.592 18.155 21.905 1.00 0.16 H new ATOM 0 HA VAL A 53 52.226 20.633 21.769 1.00 0.17 H new ATOM 0 HB VAL A 53 49.685 19.907 20.255 1.00 0.19 H new ATOM 0 HG11 VAL A 53 50.166 22.001 18.988 1.00 0.21 H new ATOM 0 HG12 VAL A 53 49.928 22.334 20.720 1.00 0.21 H new ATOM 0 HG13 VAL A 53 51.571 22.304 20.037 1.00 0.21 H new ATOM 0 HG21 VAL A 53 51.154 19.868 18.245 1.00 0.19 H new ATOM 0 HG22 VAL A 53 52.571 20.151 19.284 1.00 0.19 H new ATOM 0 HG23 VAL A 53 51.648 18.637 19.431 1.00 0.19 H new ATOM 849 N VAL A 54 50.716 21.873 23.324 1.00 0.17 N ATOM 850 CA VAL A 54 49.849 22.600 24.261 1.00 0.19 C ATOM 851 C VAL A 54 49.568 24.010 23.762 1.00 0.21 C ATOM 852 O VAL A 54 50.478 24.745 23.379 1.00 0.24 O ATOM 853 CB VAL A 54 50.451 22.693 25.672 1.00 0.18 C ATOM 854 CG1 VAL A 54 50.267 21.358 26.397 1.00 0.22 C ATOM 855 CG2 VAL A 54 51.938 23.070 25.627 1.00 0.18 C ATOM 0 H VAL A 54 51.631 22.298 23.177 1.00 0.17 H new ATOM 0 HA VAL A 54 48.923 22.028 24.316 1.00 0.19 H new ATOM 0 HB VAL A 54 49.928 23.480 26.215 1.00 0.18 H new ATOM 0 HG11 VAL A 54 50.694 21.425 27.397 1.00 0.22 H new ATOM 0 HG12 VAL A 54 49.204 21.128 26.471 1.00 0.22 H new ATOM 0 HG13 VAL A 54 50.771 20.569 25.839 1.00 0.22 H new ATOM 0 HG21 VAL A 54 52.330 23.127 26.643 1.00 0.18 H new ATOM 0 HG22 VAL A 54 52.488 22.314 25.067 1.00 0.18 H new ATOM 0 HG23 VAL A 54 52.053 24.038 25.139 1.00 0.18 H new ATOM 865 N SER A 55 48.291 24.373 23.774 1.00 0.31 N ATOM 866 CA SER A 55 47.871 25.703 23.356 1.00 0.38 C ATOM 867 C SER A 55 48.273 26.769 24.374 1.00 0.35 C ATOM 868 O SER A 55 48.560 27.905 23.996 1.00 0.45 O ATOM 869 CB SER A 55 46.354 25.730 23.169 1.00 0.56 C ATOM 870 OG SER A 55 45.978 24.708 22.255 1.00 1.41 O ATOM 0 H SER A 55 47.528 23.763 24.069 1.00 0.31 H new ATOM 0 HA SER A 55 48.371 25.928 22.414 1.00 0.38 H new ATOM 0 HB2 SER A 55 45.855 25.580 24.126 1.00 0.56 H new ATOM 0 HB3 SER A 55 46.039 26.704 22.794 1.00 0.56 H new ATOM 0 HG SER A 55 45.006 24.720 22.133 1.00 1.41 H new ATOM 876 N SER A 56 48.284 26.412 25.660 1.00 0.32 N ATOM 877 CA SER A 56 48.508 27.411 26.701 1.00 0.39 C ATOM 878 C SER A 56 49.022 26.779 27.990 1.00 0.35 C ATOM 879 O SER A 56 49.018 25.558 28.151 1.00 0.30 O ATOM 880 CB SER A 56 47.204 28.157 26.989 1.00 0.48 C ATOM 881 OG SER A 56 46.305 27.282 27.657 1.00 0.49 O ATOM 0 H SER A 56 48.144 25.460 25.998 1.00 0.32 H new ATOM 0 HA SER A 56 49.267 28.104 26.337 1.00 0.39 H new ATOM 0 HB2 SER A 56 47.401 29.035 27.604 1.00 0.48 H new ATOM 0 HB3 SER A 56 46.761 28.513 26.059 1.00 0.48 H new ATOM 0 HG SER A 56 45.468 27.755 27.846 1.00 0.49 H new ATOM 887 N GLY A 57 49.450 27.627 28.919 1.00 0.40 N ATOM 888 CA GLY A 57 49.929 27.151 30.212 1.00 0.39 C ATOM 889 C GLY A 57 48.878 26.289 30.906 1.00 0.34 C ATOM 890 O GLY A 57 49.213 25.300 31.556 1.00 0.32 O ATOM 0 H GLY A 57 49.475 28.640 28.803 1.00 0.40 H new ATOM 0 HA2 GLY A 57 50.843 26.574 30.074 1.00 0.39 H new ATOM 0 HA3 GLY A 57 50.181 28.002 30.845 1.00 0.39 H new ATOM 894 N GLN A 58 47.606 26.650 30.754 1.00 0.34 N ATOM 895 CA GLN A 58 46.533 25.908 31.410 1.00 0.33 C ATOM 896 C GLN A 58 46.538 24.447 30.966 1.00 0.29 C ATOM 897 O GLN A 58 46.468 23.538 31.793 1.00 0.29 O ATOM 898 CB GLN A 58 45.181 26.540 31.074 1.00 0.35 C ATOM 899 CG GLN A 58 45.116 27.953 31.658 1.00 1.10 C ATOM 900 CD GLN A 58 43.811 28.639 31.264 1.00 1.40 C ATOM 901 OE1 GLN A 58 43.136 28.217 30.323 1.00 1.53 O ATOM 902 NE2 GLN A 58 43.409 29.684 31.935 1.00 2.18 N ATOM 0 H GLN A 58 47.296 27.441 30.190 1.00 0.34 H new ATOM 0 HA GLN A 58 46.696 25.948 32.487 1.00 0.33 H new ATOM 0 HB2 GLN A 58 45.043 26.576 29.993 1.00 0.35 H new ATOM 0 HB3 GLN A 58 44.373 25.931 31.479 1.00 0.35 H new ATOM 0 HG2 GLN A 58 45.195 27.907 32.744 1.00 1.10 H new ATOM 0 HG3 GLN A 58 45.963 28.539 31.301 1.00 1.10 H new ATOM 0 HE21 GLN A 58 43.966 30.035 32.714 1.00 2.18 H new ATOM 0 HE22 GLN A 58 42.538 30.150 31.680 1.00 2.18 H new ATOM 911 N GLY A 59 46.660 24.223 29.661 1.00 0.28 N ATOM 912 CA GLY A 59 46.730 22.865 29.137 1.00 0.27 C ATOM 913 C GLY A 59 47.928 22.130 29.723 1.00 0.26 C ATOM 914 O GLY A 59 47.820 20.988 30.163 1.00 0.27 O ATOM 0 H GLY A 59 46.712 24.957 28.954 1.00 0.28 H new ATOM 0 HA2 GLY A 59 45.813 22.328 29.378 1.00 0.27 H new ATOM 0 HA3 GLY A 59 46.808 22.892 28.050 1.00 0.27 H new ATOM 918 N LEU A 60 49.067 22.811 29.767 1.00 0.26 N ATOM 919 CA LEU A 60 50.293 22.201 30.268 1.00 0.26 C ATOM 920 C LEU A 60 50.095 21.670 31.685 1.00 0.27 C ATOM 921 O LEU A 60 50.490 20.549 32.006 1.00 0.26 O ATOM 922 CB LEU A 60 51.410 23.246 30.253 1.00 0.28 C ATOM 923 CG LEU A 60 52.735 22.598 30.658 1.00 0.28 C ATOM 924 CD1 LEU A 60 53.217 21.675 29.538 1.00 0.28 C ATOM 925 CD2 LEU A 60 53.781 23.689 30.905 1.00 0.35 C ATOM 0 H LEU A 60 49.167 23.780 29.464 1.00 0.26 H new ATOM 0 HA LEU A 60 50.561 21.361 29.627 1.00 0.26 H new ATOM 0 HB2 LEU A 60 51.498 23.683 29.258 1.00 0.28 H new ATOM 0 HB3 LEU A 60 51.168 24.059 30.938 1.00 0.28 H new ATOM 0 HG LEU A 60 52.591 22.017 31.569 1.00 0.28 H new ATOM 0 HD11 LEU A 60 54.161 21.214 29.828 1.00 0.28 H new ATOM 0 HD12 LEU A 60 52.473 20.898 29.361 1.00 0.28 H new ATOM 0 HD13 LEU A 60 53.361 22.254 28.626 1.00 0.28 H new ATOM 0 HD21 LEU A 60 54.726 23.229 31.194 1.00 0.35 H new ATOM 0 HD22 LEU A 60 53.924 24.269 29.993 1.00 0.35 H new ATOM 0 HD23 LEU A 60 53.439 24.347 31.704 1.00 0.35 H new ATOM 937 N GLN A 61 49.448 22.471 32.523 1.00 0.29 N ATOM 938 CA GLN A 61 49.210 22.073 33.908 1.00 0.31 C ATOM 939 C GLN A 61 48.353 20.813 33.963 1.00 0.31 C ATOM 940 O GLN A 61 48.636 19.888 34.724 1.00 0.31 O ATOM 941 CB GLN A 61 48.515 23.206 34.670 1.00 0.36 C ATOM 942 CG GLN A 61 49.435 24.429 34.750 1.00 0.38 C ATOM 943 CD GLN A 61 50.727 24.081 35.488 1.00 0.41 C ATOM 944 OE1 GLN A 61 50.684 23.526 36.586 1.00 0.45 O ATOM 945 NE2 GLN A 61 51.878 24.372 34.947 1.00 0.42 N ATOM 0 H GLN A 61 49.082 23.390 32.274 1.00 0.29 H new ATOM 0 HA GLN A 61 50.172 21.864 34.376 1.00 0.31 H new ATOM 0 HB2 GLN A 61 47.584 23.474 34.170 1.00 0.36 H new ATOM 0 HB3 GLN A 61 48.253 22.872 35.674 1.00 0.36 H new ATOM 0 HG2 GLN A 61 49.667 24.783 33.745 1.00 0.38 H new ATOM 0 HG3 GLN A 61 48.924 25.243 35.264 1.00 0.38 H new ATOM 0 HE21 GLN A 61 51.912 24.832 34.037 1.00 0.42 H new ATOM 0 HE22 GLN A 61 52.744 24.140 35.434 1.00 0.42 H new ATOM 954 N ASN A 62 47.317 20.771 33.133 1.00 0.31 N ATOM 955 CA ASN A 62 46.458 19.592 33.066 1.00 0.33 C ATOM 956 C ASN A 62 47.270 18.355 32.692 1.00 0.29 C ATOM 957 O ASN A 62 47.050 17.273 33.230 1.00 0.28 O ATOM 958 CB ASN A 62 45.349 19.811 32.038 1.00 0.36 C ATOM 959 CG ASN A 62 44.487 20.997 32.454 1.00 0.44 C ATOM 960 OD1 ASN A 62 44.128 21.125 33.625 1.00 0.72 O ATOM 961 ND2 ASN A 62 44.138 21.878 31.560 1.00 0.29 N ATOM 0 H ASN A 62 47.053 21.529 32.504 1.00 0.31 H new ATOM 0 HA ASN A 62 46.013 19.434 34.049 1.00 0.33 H new ATOM 0 HB2 ASN A 62 45.783 19.992 31.055 1.00 0.36 H new ATOM 0 HB3 ASN A 62 44.735 18.914 31.955 1.00 0.36 H new ATOM 0 HD21 ASN A 62 43.565 22.678 31.829 1.00 0.29 H new ATOM 0 HD22 ASN A 62 44.438 21.768 30.591 1.00 0.29 H new ATOM 968 N LEU A 63 48.222 18.525 31.780 1.00 0.27 N ATOM 969 CA LEU A 63 49.074 17.418 31.354 1.00 0.26 C ATOM 970 C LEU A 63 49.793 16.817 32.553 1.00 0.23 C ATOM 971 O LEU A 63 49.842 15.603 32.724 1.00 0.22 O ATOM 972 CB LEU A 63 50.119 17.923 30.358 1.00 0.28 C ATOM 973 CG LEU A 63 50.871 16.737 29.751 1.00 0.30 C ATOM 974 CD1 LEU A 63 50.034 16.119 28.630 1.00 0.33 C ATOM 975 CD2 LEU A 63 52.206 17.222 29.181 1.00 0.35 C ATOM 0 H LEU A 63 48.423 19.414 31.323 1.00 0.27 H new ATOM 0 HA LEU A 63 48.448 16.659 30.885 1.00 0.26 H new ATOM 0 HB2 LEU A 63 49.635 18.500 29.570 1.00 0.28 H new ATOM 0 HB3 LEU A 63 50.819 18.592 30.859 1.00 0.28 H new ATOM 0 HG LEU A 63 51.052 15.988 30.522 1.00 0.30 H new ATOM 0 HD11 LEU A 63 50.571 15.274 28.198 1.00 0.33 H new ATOM 0 HD12 LEU A 63 49.082 15.776 29.034 1.00 0.33 H new ATOM 0 HD13 LEU A 63 49.852 16.866 27.858 1.00 0.33 H new ATOM 0 HD21 LEU A 63 52.744 16.379 28.748 1.00 0.35 H new ATOM 0 HD22 LEU A 63 52.022 17.970 28.410 1.00 0.35 H new ATOM 0 HD23 LEU A 63 52.804 17.663 29.979 1.00 0.35 H new ATOM 987 N TYR A 64 50.330 17.690 33.395 1.00 0.24 N ATOM 988 CA TYR A 64 51.083 17.250 34.560 1.00 0.24 C ATOM 989 C TYR A 64 50.203 16.410 35.482 1.00 0.23 C ATOM 990 O TYR A 64 50.587 15.322 35.912 1.00 0.23 O ATOM 991 CB TYR A 64 51.601 18.474 35.316 1.00 0.28 C ATOM 992 CG TYR A 64 52.613 18.147 36.386 1.00 0.27 C ATOM 993 CD1 TYR A 64 52.193 17.913 37.701 1.00 0.29 C ATOM 994 CD2 TYR A 64 53.973 18.087 36.063 1.00 0.25 C ATOM 995 CE1 TYR A 64 53.136 17.617 38.693 1.00 0.29 C ATOM 996 CE2 TYR A 64 54.912 17.791 37.053 1.00 0.25 C ATOM 997 CZ TYR A 64 54.496 17.557 38.369 1.00 0.27 C ATOM 998 OH TYR A 64 55.427 17.265 39.345 1.00 0.29 O ATOM 0 H TYR A 64 50.258 18.702 33.293 1.00 0.24 H new ATOM 0 HA TYR A 64 51.921 16.637 34.229 1.00 0.24 H new ATOM 0 HB2 TYR A 64 52.050 19.166 34.604 1.00 0.28 H new ATOM 0 HB3 TYR A 64 50.757 18.991 35.773 1.00 0.28 H new ATOM 0 HD1 TYR A 64 51.143 17.961 37.950 1.00 0.29 H new ATOM 0 HD2 TYR A 64 54.296 18.269 35.049 1.00 0.25 H new ATOM 0 HE1 TYR A 64 52.814 17.435 39.708 1.00 0.29 H new ATOM 0 HE2 TYR A 64 55.962 17.742 36.803 1.00 0.25 H new ATOM 0 HH TYR A 64 56.324 17.262 38.951 1.00 0.29 H new ATOM 1008 N GLN A 65 49.001 16.905 35.752 1.00 0.24 N ATOM 1009 CA GLN A 65 48.095 16.221 36.670 1.00 0.24 C ATOM 1010 C GLN A 65 47.732 14.834 36.151 1.00 0.22 C ATOM 1011 O GLN A 65 47.714 13.864 36.910 1.00 0.22 O ATOM 1012 CB GLN A 65 46.821 17.048 36.858 1.00 0.26 C ATOM 1013 CG GLN A 65 47.167 18.375 37.539 1.00 0.29 C ATOM 1014 CD GLN A 65 45.926 19.256 37.659 1.00 0.78 C ATOM 1015 OE1 GLN A 65 44.930 19.040 36.967 1.00 1.25 O ATOM 1016 NE2 GLN A 65 45.926 20.249 38.507 1.00 1.19 N ATOM 0 H GLN A 65 48.633 17.769 35.354 1.00 0.24 H new ATOM 0 HA GLN A 65 48.604 16.109 37.627 1.00 0.24 H new ATOM 0 HB2 GLN A 65 46.351 17.235 35.893 1.00 0.26 H new ATOM 0 HB3 GLN A 65 46.102 16.494 37.461 1.00 0.26 H new ATOM 0 HG2 GLN A 65 47.582 18.185 38.529 1.00 0.29 H new ATOM 0 HG3 GLN A 65 47.935 18.895 36.966 1.00 0.29 H new ATOM 0 HE21 GLN A 65 46.750 20.430 39.081 1.00 1.19 H new ATOM 0 HE22 GLN A 65 45.102 20.844 38.595 1.00 1.19 H new ATOM 1025 N LEU A 66 47.443 14.743 34.858 1.00 0.21 N ATOM 1026 CA LEU A 66 47.097 13.461 34.252 1.00 0.20 C ATOM 1027 C LEU A 66 48.287 12.504 34.251 1.00 0.18 C ATOM 1028 O LEU A 66 48.108 11.295 34.394 1.00 0.18 O ATOM 1029 CB LEU A 66 46.594 13.663 32.818 1.00 0.21 C ATOM 1030 CG LEU A 66 45.302 14.489 32.819 1.00 0.22 C ATOM 1031 CD1 LEU A 66 44.896 14.804 31.376 1.00 0.25 C ATOM 1032 CD2 LEU A 66 44.180 13.691 33.489 1.00 0.22 C ATOM 0 H LEU A 66 47.441 15.533 34.213 1.00 0.21 H new ATOM 0 HA LEU A 66 46.303 13.019 34.853 1.00 0.20 H new ATOM 0 HB2 LEU A 66 47.357 14.169 32.226 1.00 0.21 H new ATOM 0 HB3 LEU A 66 46.415 12.696 32.348 1.00 0.21 H new ATOM 0 HG LEU A 66 45.471 15.416 33.367 1.00 0.22 H new ATOM 0 HD11 LEU A 66 43.978 15.391 31.376 1.00 0.25 H new ATOM 0 HD12 LEU A 66 45.690 15.372 30.890 1.00 0.25 H new ATOM 0 HD13 LEU A 66 44.731 13.873 30.833 1.00 0.25 H new ATOM 0 HD21 LEU A 66 43.263 14.281 33.488 1.00 0.22 H new ATOM 0 HD22 LEU A 66 44.015 12.764 32.940 1.00 0.22 H new ATOM 0 HD23 LEU A 66 44.461 13.460 34.516 1.00 0.22 H new ATOM 1044 N ALA A 67 49.491 13.042 34.076 1.00 0.17 N ATOM 1045 CA ALA A 67 50.703 12.231 34.102 1.00 0.16 C ATOM 1046 C ALA A 67 50.837 11.505 35.437 1.00 0.17 C ATOM 1047 O ALA A 67 51.286 10.359 35.495 1.00 0.16 O ATOM 1048 CB ALA A 67 51.923 13.128 33.888 1.00 0.17 C ATOM 0 H ALA A 67 49.653 14.036 33.915 1.00 0.17 H new ATOM 0 HA ALA A 67 50.642 11.490 33.305 1.00 0.16 H new ATOM 0 HB1 ALA A 67 52.828 12.521 33.908 1.00 0.17 H new ATOM 0 HB2 ALA A 67 51.842 13.628 32.923 1.00 0.17 H new ATOM 0 HB3 ALA A 67 51.969 13.875 34.681 1.00 0.17 H new ATOM 1054 N ALA A 68 50.482 12.192 36.519 1.00 0.19 N ATOM 1055 CA ALA A 68 50.461 11.557 37.831 1.00 0.20 C ATOM 1056 C ALA A 68 51.866 11.021 38.169 1.00 0.21 C ATOM 1057 O ALA A 68 52.856 11.638 37.774 1.00 0.21 O ATOM 1058 CB ALA A 68 49.381 10.461 37.819 1.00 0.20 C ATOM 0 H ALA A 68 50.209 13.175 36.514 1.00 0.19 H new ATOM 0 HA ALA A 68 50.206 12.269 38.616 1.00 0.20 H new ATOM 0 HB1 ALA A 68 49.348 9.972 38.793 1.00 0.20 H new ATOM 0 HB2 ALA A 68 48.411 10.909 37.605 1.00 0.20 H new ATOM 0 HB3 ALA A 68 49.618 9.725 37.051 1.00 0.20 H new ATOM 1064 N ALA A 69 51.985 9.872 38.843 1.00 0.22 N ATOM 1065 CA ALA A 69 53.290 9.376 39.279 1.00 0.23 C ATOM 1066 C ALA A 69 54.253 9.141 38.110 1.00 0.22 C ATOM 1067 O ALA A 69 55.464 9.066 38.319 1.00 0.24 O ATOM 1068 CB ALA A 69 53.108 8.066 40.047 1.00 0.25 C ATOM 0 H ALA A 69 51.199 9.274 39.096 1.00 0.22 H new ATOM 0 HA ALA A 69 53.728 10.143 39.918 1.00 0.23 H new ATOM 0 HB1 ALA A 69 54.081 7.697 40.372 1.00 0.25 H new ATOM 0 HB2 ALA A 69 52.476 8.240 40.918 1.00 0.25 H new ATOM 0 HB3 ALA A 69 52.637 7.327 39.399 1.00 0.25 H new ATOM 1074 N ASP A 70 53.734 9.027 36.885 1.00 0.20 N ATOM 1075 CA ASP A 70 54.578 8.694 35.737 1.00 0.20 C ATOM 1076 C ASP A 70 55.124 9.925 35.007 1.00 0.18 C ATOM 1077 O ASP A 70 55.728 9.788 33.944 1.00 0.18 O ATOM 1078 CB ASP A 70 53.778 7.832 34.758 1.00 0.20 C ATOM 1079 CG ASP A 70 53.334 6.547 35.448 1.00 0.24 C ATOM 1080 OD1 ASP A 70 54.151 5.648 35.564 1.00 1.09 O ATOM 1081 OD2 ASP A 70 52.186 6.483 35.857 1.00 1.09 O ATOM 0 H ASP A 70 52.747 9.158 36.665 1.00 0.20 H new ATOM 0 HA ASP A 70 55.441 8.151 36.122 1.00 0.20 H new ATOM 0 HB2 ASP A 70 52.908 8.383 34.400 1.00 0.20 H new ATOM 0 HB3 ASP A 70 54.387 7.596 33.885 1.00 0.20 H new ATOM 1086 N TRP A 71 54.968 11.121 35.577 1.00 0.18 N ATOM 1087 CA TRP A 71 55.504 12.336 34.962 1.00 0.18 C ATOM 1088 C TRP A 71 56.969 12.176 34.517 1.00 0.19 C ATOM 1089 O TRP A 71 57.288 12.564 33.395 1.00 0.19 O ATOM 1090 CB TRP A 71 55.319 13.524 35.922 1.00 0.19 C ATOM 1091 CG TRP A 71 56.011 14.790 35.515 1.00 0.19 C ATOM 1092 CD1 TRP A 71 57.018 15.370 36.206 1.00 0.21 C ATOM 1093 CD2 TRP A 71 55.792 15.622 34.335 1.00 0.18 C ATOM 1094 NE1 TRP A 71 57.411 16.517 35.545 1.00 0.21 N ATOM 1095 CE2 TRP A 71 56.692 16.714 34.386 1.00 0.19 C ATOM 1096 CE3 TRP A 71 54.908 15.547 33.245 1.00 0.18 C ATOM 1097 CZ2 TRP A 71 56.716 17.693 33.390 1.00 0.19 C ATOM 1098 CZ3 TRP A 71 54.930 16.528 32.241 1.00 0.18 C ATOM 1099 CH2 TRP A 71 55.831 17.599 32.314 1.00 0.18 C ATOM 0 H TRP A 71 54.478 11.274 36.458 1.00 0.18 H new ATOM 0 HA TRP A 71 54.942 12.532 34.049 1.00 0.18 H new ATOM 0 HB2 TRP A 71 54.253 13.728 36.021 1.00 0.19 H new ATOM 0 HB3 TRP A 71 55.680 13.233 36.908 1.00 0.19 H new ATOM 0 HD1 TRP A 71 57.445 14.997 37.125 1.00 0.21 H new ATOM 0 HE1 TRP A 71 58.145 17.143 35.875 1.00 0.21 H new ATOM 0 HE3 TRP A 71 54.206 14.729 33.179 1.00 0.18 H new ATOM 0 HZ2 TRP A 71 57.413 18.516 33.452 1.00 0.19 H new ATOM 0 HZ3 TRP A 71 54.248 16.457 31.407 1.00 0.18 H new ATOM 0 HH2 TRP A 71 55.841 18.351 31.539 1.00 0.18 H new ATOM 1110 N PRO A 72 57.856 11.635 35.325 1.00 0.21 N ATOM 1111 CA PRO A 72 59.274 11.415 34.895 1.00 0.22 C ATOM 1112 C PRO A 72 59.394 10.820 33.492 1.00 0.22 C ATOM 1113 O PRO A 72 60.256 11.236 32.717 1.00 0.22 O ATOM 1114 CB PRO A 72 59.824 10.446 35.941 1.00 0.25 C ATOM 1115 CG PRO A 72 59.051 10.739 37.181 1.00 0.25 C ATOM 1116 CD PRO A 72 57.673 11.231 36.735 1.00 0.23 C ATOM 0 HA PRO A 72 59.820 12.357 34.837 1.00 0.22 H new ATOM 0 HB2 PRO A 72 59.691 9.410 35.628 1.00 0.25 H new ATOM 0 HB3 PRO A 72 60.892 10.597 36.097 1.00 0.25 H new ATOM 0 HG2 PRO A 72 58.961 9.847 37.801 1.00 0.25 H new ATOM 0 HG3 PRO A 72 59.556 11.495 37.782 1.00 0.25 H new ATOM 0 HD2 PRO A 72 56.923 10.445 36.827 1.00 0.23 H new ATOM 0 HD3 PRO A 72 57.335 12.068 37.346 1.00 0.23 H new ATOM 1124 N GLU A 73 58.538 9.855 33.162 1.00 0.21 N ATOM 1125 CA GLU A 73 58.613 9.206 31.857 1.00 0.21 C ATOM 1126 C GLU A 73 58.021 10.101 30.772 1.00 0.20 C ATOM 1127 O GLU A 73 58.657 10.365 29.754 1.00 0.21 O ATOM 1128 CB GLU A 73 57.862 7.871 31.884 1.00 0.22 C ATOM 1129 CG GLU A 73 58.565 6.898 32.840 1.00 0.24 C ATOM 1130 CD GLU A 73 58.265 7.234 34.302 1.00 1.11 C ATOM 1131 OE1 GLU A 73 57.281 7.909 34.562 1.00 1.86 O ATOM 1132 OE2 GLU A 73 59.032 6.806 35.148 1.00 1.83 O ATOM 0 H GLU A 73 57.796 9.510 33.770 1.00 0.21 H new ATOM 0 HA GLU A 73 59.664 9.025 31.630 1.00 0.21 H new ATOM 0 HB2 GLU A 73 56.832 8.029 32.204 1.00 0.22 H new ATOM 0 HB3 GLU A 73 57.822 7.445 30.881 1.00 0.22 H new ATOM 0 HG2 GLU A 73 58.242 5.879 32.626 1.00 0.24 H new ATOM 0 HG3 GLU A 73 59.641 6.934 32.671 1.00 0.24 H new ATOM 1139 N ILE A 74 56.830 10.625 31.032 1.00 0.18 N ATOM 1140 CA ILE A 74 56.122 11.439 30.047 1.00 0.18 C ATOM 1141 C ILE A 74 56.956 12.660 29.652 1.00 0.18 C ATOM 1142 O ILE A 74 57.044 13.009 28.477 1.00 0.19 O ATOM 1143 CB ILE A 74 54.763 11.861 30.627 1.00 0.17 C ATOM 1144 CG1 ILE A 74 53.940 10.601 30.927 1.00 0.18 C ATOM 1145 CG2 ILE A 74 53.992 12.732 29.626 1.00 0.18 C ATOM 1146 CD1 ILE A 74 52.704 10.954 31.759 1.00 0.19 C ATOM 0 H ILE A 74 56.333 10.502 31.914 1.00 0.18 H new ATOM 0 HA ILE A 74 55.957 10.852 29.143 1.00 0.18 H new ATOM 0 HB ILE A 74 54.931 12.437 31.537 1.00 0.17 H new ATOM 0 HG12 ILE A 74 53.635 10.128 29.994 1.00 0.18 H new ATOM 0 HG13 ILE A 74 54.553 9.878 31.465 1.00 0.18 H new ATOM 0 HG21 ILE A 74 53.033 13.019 30.057 1.00 0.18 H new ATOM 0 HG22 ILE A 74 54.572 13.627 29.401 1.00 0.18 H new ATOM 0 HG23 ILE A 74 53.823 12.169 28.708 1.00 0.18 H new ATOM 0 HD11 ILE A 74 52.132 10.049 31.963 1.00 0.19 H new ATOM 0 HD12 ILE A 74 53.016 11.406 32.701 1.00 0.19 H new ATOM 0 HD13 ILE A 74 52.083 11.659 31.207 1.00 0.19 H new ATOM 1158 N GLY A 75 57.604 13.271 30.633 1.00 0.19 N ATOM 1159 CA GLY A 75 58.377 14.492 30.407 1.00 0.19 C ATOM 1160 C GLY A 75 59.512 14.308 29.394 1.00 0.18 C ATOM 1161 O GLY A 75 60.096 15.291 28.942 1.00 0.17 O ATOM 0 H GLY A 75 57.612 12.942 31.599 1.00 0.19 H new ATOM 0 HA2 GLY A 75 57.709 15.278 30.055 1.00 0.19 H new ATOM 0 HA3 GLY A 75 58.796 14.830 31.355 1.00 0.19 H new ATOM 1165 N ARG A 76 59.869 13.062 29.096 1.00 0.21 N ATOM 1166 CA ARG A 76 60.930 12.771 28.138 1.00 0.22 C ATOM 1167 C ARG A 76 60.566 13.225 26.723 1.00 0.24 C ATOM 1168 O ARG A 76 61.444 13.585 25.939 1.00 0.33 O ATOM 1169 CB ARG A 76 61.201 11.265 28.143 1.00 0.20 C ATOM 1170 CG ARG A 76 61.684 10.854 29.535 1.00 0.25 C ATOM 1171 CD ARG A 76 61.920 9.346 29.587 1.00 0.34 C ATOM 1172 NE ARG A 76 63.073 8.983 28.756 1.00 1.14 N ATOM 1173 CZ ARG A 76 64.338 8.985 29.205 1.00 1.71 C ATOM 1174 NH1 ARG A 76 64.645 9.316 30.435 1.00 2.43 N ATOM 1175 NH2 ARG A 76 65.296 8.644 28.386 1.00 1.92 N ATOM 0 H ARG A 76 59.437 12.234 29.507 1.00 0.21 H new ATOM 0 HA ARG A 76 61.821 13.323 28.437 1.00 0.22 H new ATOM 0 HB2 ARG A 76 60.295 10.718 27.881 1.00 0.20 H new ATOM 0 HB3 ARG A 76 61.952 11.015 27.394 1.00 0.20 H new ATOM 0 HG2 ARG A 76 62.606 11.382 29.779 1.00 0.25 H new ATOM 0 HG3 ARG A 76 60.945 11.140 30.284 1.00 0.25 H new ATOM 0 HD2 ARG A 76 62.092 9.033 30.617 1.00 0.34 H new ATOM 0 HD3 ARG A 76 61.031 8.820 29.238 1.00 0.34 H new ATOM 0 HE ARG A 76 62.905 8.715 27.786 1.00 1.14 H new ATOM 0 HH11 ARG A 76 63.910 9.585 31.089 1.00 2.43 H new ATOM 0 HH12 ARG A 76 65.619 9.305 30.738 1.00 2.43 H new ATOM 0 HH21 ARG A 76 65.076 8.383 27.425 1.00 1.92 H new ATOM 0 HH22 ARG A 76 66.264 8.639 28.707 1.00 1.92 H new ATOM 1189 N LEU A 77 59.276 13.209 26.397 1.00 0.22 N ATOM 1190 CA LEU A 77 58.841 13.480 25.031 1.00 0.24 C ATOM 1191 C LEU A 77 58.956 14.972 24.689 1.00 0.21 C ATOM 1192 O LEU A 77 58.838 15.812 25.581 1.00 0.27 O ATOM 1193 CB LEU A 77 57.390 13.029 24.850 1.00 0.28 C ATOM 1194 CG LEU A 77 57.348 11.513 24.648 1.00 0.33 C ATOM 1195 CD1 LEU A 77 55.923 11.006 24.878 1.00 0.39 C ATOM 1196 CD2 LEU A 77 57.782 11.177 23.220 1.00 0.38 C ATOM 0 H LEU A 77 58.520 13.013 27.054 1.00 0.22 H new ATOM 0 HA LEU A 77 59.492 12.923 24.357 1.00 0.24 H new ATOM 0 HB2 LEU A 77 56.800 13.307 25.724 1.00 0.28 H new ATOM 0 HB3 LEU A 77 56.946 13.533 23.992 1.00 0.28 H new ATOM 0 HG LEU A 77 58.023 11.034 25.357 1.00 0.33 H new ATOM 0 HD11 LEU A 77 55.893 9.926 24.734 1.00 0.39 H new ATOM 0 HD12 LEU A 77 55.611 11.245 25.895 1.00 0.39 H new ATOM 0 HD13 LEU A 77 55.248 11.485 24.169 1.00 0.39 H new ATOM 0 HD21 LEU A 77 57.752 10.097 23.075 1.00 0.38 H new ATOM 0 HD22 LEU A 77 57.106 11.657 22.512 1.00 0.38 H new ATOM 0 HD23 LEU A 77 58.797 11.538 23.054 1.00 0.38 H new ATOM 1208 N PRO A 78 59.183 15.328 23.439 1.00 0.18 N ATOM 1209 CA PRO A 78 59.241 16.768 23.031 1.00 0.17 C ATOM 1210 C PRO A 78 57.905 17.483 23.231 1.00 0.15 C ATOM 1211 O PRO A 78 56.871 17.040 22.731 1.00 0.15 O ATOM 1212 CB PRO A 78 59.611 16.732 21.541 1.00 0.22 C ATOM 1213 CG PRO A 78 59.236 15.368 21.074 1.00 0.64 C ATOM 1214 CD PRO A 78 59.429 14.450 22.276 1.00 0.27 C ATOM 0 HA PRO A 78 59.959 17.321 23.637 1.00 0.17 H new ATOM 0 HB2 PRO A 78 59.074 17.500 20.984 1.00 0.22 H new ATOM 0 HB3 PRO A 78 60.675 16.919 21.396 1.00 0.22 H new ATOM 0 HG2 PRO A 78 58.204 15.344 20.725 1.00 0.64 H new ATOM 0 HG3 PRO A 78 59.862 15.055 20.238 1.00 0.64 H new ATOM 0 HD2 PRO A 78 58.732 13.612 22.254 1.00 0.27 H new ATOM 0 HD3 PRO A 78 60.434 14.029 22.299 1.00 0.27 H new ATOM 1222 N LEU A 79 57.935 18.597 23.954 1.00 0.15 N ATOM 1223 CA LEU A 79 56.736 19.411 24.136 1.00 0.14 C ATOM 1224 C LEU A 79 56.808 20.673 23.277 1.00 0.12 C ATOM 1225 O LEU A 79 57.780 21.421 23.345 1.00 0.13 O ATOM 1226 CB LEU A 79 56.598 19.805 25.609 1.00 0.17 C ATOM 1227 CG LEU A 79 55.262 20.517 25.830 1.00 0.19 C ATOM 1228 CD1 LEU A 79 54.123 19.498 25.763 1.00 0.23 C ATOM 1229 CD2 LEU A 79 55.267 21.186 27.205 1.00 0.24 C ATOM 0 H LEU A 79 58.768 18.956 24.420 1.00 0.15 H new ATOM 0 HA LEU A 79 55.869 18.825 23.829 1.00 0.14 H new ATOM 0 HB2 LEU A 79 56.657 18.918 26.240 1.00 0.17 H new ATOM 0 HB3 LEU A 79 57.421 20.458 25.899 1.00 0.17 H new ATOM 0 HG LEU A 79 55.118 21.272 25.057 1.00 0.19 H new ATOM 0 HD11 LEU A 79 53.171 20.005 25.920 1.00 0.23 H new ATOM 0 HD12 LEU A 79 54.121 19.018 24.784 1.00 0.23 H new ATOM 0 HD13 LEU A 79 54.264 18.743 26.537 1.00 0.23 H new ATOM 0 HD21 LEU A 79 54.316 21.694 27.366 1.00 0.24 H new ATOM 0 HD22 LEU A 79 55.409 20.430 27.977 1.00 0.24 H new ATOM 0 HD23 LEU A 79 56.079 21.911 27.254 1.00 0.24 H new ATOM 1241 N PHE A 80 55.769 20.907 22.481 1.00 0.11 N ATOM 1242 CA PHE A 80 55.687 22.115 21.666 1.00 0.11 C ATOM 1243 C PHE A 80 54.943 23.203 22.434 1.00 0.12 C ATOM 1244 O PHE A 80 53.809 22.990 22.869 1.00 0.13 O ATOM 1245 CB PHE A 80 54.900 21.849 20.379 1.00 0.12 C ATOM 1246 CG PHE A 80 55.563 20.919 19.387 1.00 0.11 C ATOM 1247 CD1 PHE A 80 55.024 19.646 19.164 1.00 0.14 C ATOM 1248 CD2 PHE A 80 56.688 21.339 18.666 1.00 0.11 C ATOM 1249 CE1 PHE A 80 55.604 18.795 18.217 1.00 0.15 C ATOM 1250 CE2 PHE A 80 57.273 20.482 17.724 1.00 0.12 C ATOM 1251 CZ PHE A 80 56.728 19.212 17.498 1.00 0.13 C ATOM 0 H PHE A 80 54.973 20.277 22.383 1.00 0.11 H new ATOM 0 HA PHE A 80 56.704 22.425 21.427 1.00 0.11 H new ATOM 0 HB2 PHE A 80 53.929 21.432 20.648 1.00 0.12 H new ATOM 0 HB3 PHE A 80 54.712 22.803 19.886 1.00 0.12 H new ATOM 0 HD1 PHE A 80 54.160 19.321 19.724 1.00 0.14 H new ATOM 0 HD2 PHE A 80 57.104 22.321 18.836 1.00 0.11 H new ATOM 0 HE1 PHE A 80 55.183 17.816 18.041 1.00 0.15 H new ATOM 0 HE2 PHE A 80 58.145 20.801 17.172 1.00 0.12 H new ATOM 0 HZ PHE A 80 57.176 18.554 16.768 1.00 0.13 H new ATOM 1261 N VAL A 81 55.566 24.371 22.582 1.00 0.14 N ATOM 1262 CA VAL A 81 54.913 25.507 23.238 1.00 0.16 C ATOM 1263 C VAL A 81 54.748 26.667 22.246 1.00 0.18 C ATOM 1264 O VAL A 81 55.613 26.857 21.390 1.00 0.19 O ATOM 1265 CB VAL A 81 55.737 25.957 24.452 1.00 0.14 C ATOM 1266 CG1 VAL A 81 55.886 24.782 25.423 1.00 0.16 C ATOM 1267 CG2 VAL A 81 57.123 26.449 24.009 1.00 0.13 C ATOM 0 H VAL A 81 56.516 24.557 22.260 1.00 0.14 H new ATOM 0 HA VAL A 81 53.925 25.198 23.580 1.00 0.16 H new ATOM 0 HB VAL A 81 55.222 26.780 24.947 1.00 0.14 H new ATOM 0 HG11 VAL A 81 56.471 25.096 26.287 1.00 0.16 H new ATOM 0 HG12 VAL A 81 54.900 24.454 25.752 1.00 0.16 H new ATOM 0 HG13 VAL A 81 56.394 23.958 24.922 1.00 0.16 H new ATOM 0 HG21 VAL A 81 57.694 26.764 24.883 1.00 0.13 H new ATOM 0 HG22 VAL A 81 57.651 25.641 23.503 1.00 0.13 H new ATOM 0 HG23 VAL A 81 57.009 27.291 23.327 1.00 0.13 H new ATOM 1277 N PRO A 82 53.686 27.442 22.333 1.00 0.22 N ATOM 1278 CA PRO A 82 53.433 28.534 21.346 1.00 0.27 C ATOM 1279 C PRO A 82 54.255 29.795 21.604 1.00 0.26 C ATOM 1280 O PRO A 82 54.482 30.587 20.690 1.00 0.29 O ATOM 1281 CB PRO A 82 51.941 28.822 21.504 1.00 0.33 C ATOM 1282 CG PRO A 82 51.628 28.496 22.924 1.00 0.31 C ATOM 1283 CD PRO A 82 52.634 27.432 23.371 1.00 0.25 C ATOM 0 HA PRO A 82 53.723 28.229 20.340 1.00 0.27 H new ATOM 0 HB2 PRO A 82 51.715 29.865 21.281 1.00 0.33 H new ATOM 0 HB3 PRO A 82 51.348 28.214 20.821 1.00 0.33 H new ATOM 0 HG2 PRO A 82 51.704 29.385 23.550 1.00 0.31 H new ATOM 0 HG3 PRO A 82 50.607 28.126 23.019 1.00 0.31 H new ATOM 0 HD2 PRO A 82 53.046 27.666 24.353 1.00 0.25 H new ATOM 0 HD3 PRO A 82 52.164 26.452 23.448 1.00 0.25 H new ATOM 1291 N SER A 83 54.703 29.981 22.843 1.00 0.23 N ATOM 1292 CA SER A 83 55.337 31.239 23.225 1.00 0.24 C ATOM 1293 C SER A 83 56.485 31.005 24.210 1.00 0.22 C ATOM 1294 O SER A 83 56.509 29.978 24.888 1.00 0.19 O ATOM 1295 CB SER A 83 54.289 32.159 23.862 1.00 0.27 C ATOM 1296 OG SER A 83 54.063 31.756 25.208 1.00 0.26 O ATOM 0 H SER A 83 54.640 29.288 23.589 1.00 0.23 H new ATOM 0 HA SER A 83 55.750 31.704 22.330 1.00 0.24 H new ATOM 0 HB2 SER A 83 54.631 33.193 23.833 1.00 0.27 H new ATOM 0 HB3 SER A 83 53.358 32.115 23.296 1.00 0.27 H new ATOM 0 HG SER A 83 53.395 32.344 25.618 1.00 0.26 H new ATOM 1302 N PRO A 84 57.419 31.927 24.325 1.00 0.24 N ATOM 1303 CA PRO A 84 58.520 31.796 25.326 1.00 0.23 C ATOM 1304 C PRO A 84 57.977 31.555 26.735 1.00 0.22 C ATOM 1305 O PRO A 84 58.474 30.694 27.458 1.00 0.21 O ATOM 1306 CB PRO A 84 59.293 33.121 25.241 1.00 0.28 C ATOM 1307 CG PRO A 84 58.440 34.048 24.441 1.00 0.43 C ATOM 1308 CD PRO A 84 57.580 33.166 23.540 1.00 0.29 C ATOM 0 HA PRO A 84 59.158 30.938 25.114 1.00 0.23 H new ATOM 0 HB2 PRO A 84 59.482 33.526 26.235 1.00 0.28 H new ATOM 0 HB3 PRO A 84 60.263 32.976 24.766 1.00 0.28 H new ATOM 0 HG2 PRO A 84 57.818 34.663 25.091 1.00 0.43 H new ATOM 0 HG3 PRO A 84 59.053 34.728 23.849 1.00 0.43 H new ATOM 0 HD2 PRO A 84 56.619 33.631 23.322 1.00 0.29 H new ATOM 0 HD3 PRO A 84 58.066 32.975 22.583 1.00 0.29 H new ATOM 1316 N ARG A 85 56.945 32.303 27.116 1.00 0.24 N ATOM 1317 CA ARG A 85 56.385 32.181 28.460 1.00 0.24 C ATOM 1318 C ARG A 85 55.920 30.751 28.730 1.00 0.22 C ATOM 1319 O ARG A 85 56.247 30.165 29.762 1.00 0.22 O ATOM 1320 CB ARG A 85 55.208 33.143 28.624 1.00 0.27 C ATOM 1321 CG ARG A 85 55.707 34.585 28.512 1.00 1.24 C ATOM 1322 CD ARG A 85 54.558 35.554 28.802 1.00 1.49 C ATOM 1323 NE ARG A 85 53.438 35.306 27.889 1.00 2.06 N ATOM 1324 CZ ARG A 85 52.226 35.861 28.037 1.00 2.56 C ATOM 1325 NH1 ARG A 85 51.947 36.681 29.021 1.00 2.99 N ATOM 1326 NH2 ARG A 85 51.293 35.576 27.170 1.00 2.99 N ATOM 0 H ARG A 85 56.484 32.992 26.522 1.00 0.24 H new ATOM 0 HA ARG A 85 57.165 32.433 29.178 1.00 0.24 H new ATOM 0 HB2 ARG A 85 54.456 32.947 27.860 1.00 0.27 H new ATOM 0 HB3 ARG A 85 54.729 32.987 29.591 1.00 0.27 H new ATOM 0 HG2 ARG A 85 56.523 34.753 29.215 1.00 1.24 H new ATOM 0 HG3 ARG A 85 56.104 34.766 27.513 1.00 1.24 H new ATOM 0 HD2 ARG A 85 54.227 35.437 29.834 1.00 1.49 H new ATOM 0 HD3 ARG A 85 54.904 36.582 28.693 1.00 1.49 H new ATOM 0 HE ARG A 85 53.589 34.678 27.099 1.00 2.06 H new ATOM 0 HH11 ARG A 85 52.664 36.917 29.707 1.00 2.99 H new ATOM 0 HH12 ARG A 85 51.013 37.083 29.100 1.00 2.99 H new ATOM 0 HH21 ARG A 85 51.492 34.941 26.397 1.00 2.99 H new ATOM 0 HH22 ARG A 85 50.365 35.988 27.266 1.00 2.99 H new ATOM 1340 N VAL A 86 55.182 30.179 27.783 1.00 0.21 N ATOM 1341 CA VAL A 86 54.717 28.802 27.927 1.00 0.20 C ATOM 1342 C VAL A 86 55.912 27.854 28.054 1.00 0.18 C ATOM 1343 O VAL A 86 55.893 26.918 28.853 1.00 0.20 O ATOM 1344 CB VAL A 86 53.846 28.419 26.724 1.00 0.21 C ATOM 1345 CG1 VAL A 86 53.329 26.985 26.876 1.00 0.22 C ATOM 1346 CG2 VAL A 86 52.652 29.373 26.638 1.00 0.24 C ATOM 0 H VAL A 86 54.896 30.639 26.919 1.00 0.21 H new ATOM 0 HA VAL A 86 54.116 28.719 28.832 1.00 0.20 H new ATOM 0 HB VAL A 86 54.448 28.488 25.818 1.00 0.21 H new ATOM 0 HG11 VAL A 86 52.712 26.727 26.015 1.00 0.22 H new ATOM 0 HG12 VAL A 86 54.173 26.298 26.936 1.00 0.22 H new ATOM 0 HG13 VAL A 86 52.733 26.908 27.785 1.00 0.22 H new ATOM 0 HG21 VAL A 86 52.031 29.103 25.784 1.00 0.24 H new ATOM 0 HG22 VAL A 86 52.062 29.301 27.552 1.00 0.24 H new ATOM 0 HG23 VAL A 86 53.011 30.395 26.517 1.00 0.24 H new ATOM 1356 N ALA A 87 56.960 28.110 27.278 1.00 0.17 N ATOM 1357 CA ALA A 87 58.161 27.284 27.332 1.00 0.16 C ATOM 1358 C ALA A 87 58.729 27.264 28.748 1.00 0.19 C ATOM 1359 O ALA A 87 59.133 26.218 29.253 1.00 0.20 O ATOM 1360 CB ALA A 87 59.211 27.838 26.368 1.00 0.17 C ATOM 0 H ALA A 87 57.003 28.878 26.608 1.00 0.17 H new ATOM 0 HA ALA A 87 57.899 26.266 27.042 1.00 0.16 H new ATOM 0 HB1 ALA A 87 60.107 27.219 26.411 1.00 0.17 H new ATOM 0 HB2 ALA A 87 58.813 27.831 25.353 1.00 0.17 H new ATOM 0 HB3 ALA A 87 59.462 28.860 26.652 1.00 0.17 H new ATOM 1366 N GLU A 88 58.736 28.424 29.394 1.00 0.21 N ATOM 1367 CA GLU A 88 59.246 28.523 30.756 1.00 0.24 C ATOM 1368 C GLU A 88 58.435 27.638 31.697 1.00 0.25 C ATOM 1369 O GLU A 88 58.993 26.963 32.559 1.00 0.27 O ATOM 1370 CB GLU A 88 59.185 29.974 31.236 1.00 0.27 C ATOM 1371 CG GLU A 88 60.120 30.837 30.380 1.00 0.29 C ATOM 1372 CD GLU A 88 60.161 32.289 30.870 1.00 0.78 C ATOM 1373 OE1 GLU A 88 59.353 32.660 31.709 1.00 1.40 O ATOM 1374 OE2 GLU A 88 61.014 33.018 30.391 1.00 1.56 O ATOM 0 H GLU A 88 58.397 29.302 29.001 1.00 0.21 H new ATOM 0 HA GLU A 88 60.282 28.185 30.760 1.00 0.24 H new ATOM 0 HB2 GLU A 88 58.163 30.348 31.167 1.00 0.27 H new ATOM 0 HB3 GLU A 88 59.476 30.034 32.285 1.00 0.27 H new ATOM 0 HG2 GLU A 88 61.126 30.417 30.403 1.00 0.29 H new ATOM 0 HG3 GLU A 88 59.788 30.813 29.342 1.00 0.29 H new ATOM 1381 N MET A 89 57.119 27.617 31.508 1.00 0.25 N ATOM 1382 CA MET A 89 56.252 26.790 32.344 1.00 0.28 C ATOM 1383 C MET A 89 56.673 25.325 32.247 1.00 0.25 C ATOM 1384 O MET A 89 56.815 24.629 33.255 1.00 0.27 O ATOM 1385 CB MET A 89 54.801 26.928 31.872 1.00 0.33 C ATOM 1386 CG MET A 89 54.323 28.374 32.038 1.00 0.40 C ATOM 1387 SD MET A 89 54.362 28.857 33.783 1.00 1.05 S ATOM 1388 CE MET A 89 53.105 27.696 34.372 1.00 0.73 C ATOM 0 H MET A 89 56.633 28.156 30.792 1.00 0.25 H new ATOM 0 HA MET A 89 56.338 27.122 33.379 1.00 0.28 H new ATOM 0 HB2 MET A 89 54.722 26.629 30.827 1.00 0.33 H new ATOM 0 HB3 MET A 89 54.160 26.258 32.445 1.00 0.33 H new ATOM 0 HG2 MET A 89 54.957 29.042 31.455 1.00 0.40 H new ATOM 0 HG3 MET A 89 53.310 28.476 31.649 1.00 0.40 H new ATOM 0 HE1 MET A 89 52.598 28.118 35.240 1.00 0.73 H new ATOM 0 HE2 MET A 89 52.378 27.514 33.580 1.00 0.73 H new ATOM 0 HE3 MET A 89 53.580 26.756 34.651 1.00 0.73 H new ATOM 1398 N ALA A 90 56.925 24.879 31.024 1.00 0.21 N ATOM 1399 CA ALA A 90 57.316 23.493 30.793 1.00 0.19 C ATOM 1400 C ALA A 90 58.633 23.177 31.497 1.00 0.19 C ATOM 1401 O ALA A 90 58.798 22.099 32.068 1.00 0.19 O ATOM 1402 CB ALA A 90 57.467 23.238 29.293 1.00 0.19 C ATOM 0 H ALA A 90 56.867 25.451 30.181 1.00 0.21 H new ATOM 0 HA ALA A 90 56.538 22.846 31.199 1.00 0.19 H new ATOM 0 HB1 ALA A 90 57.759 22.201 29.128 1.00 0.19 H new ATOM 0 HB2 ALA A 90 56.518 23.431 28.794 1.00 0.19 H new ATOM 0 HB3 ALA A 90 58.232 23.900 28.887 1.00 0.19 H new ATOM 1408 N ARG A 91 59.572 24.113 31.437 1.00 0.20 N ATOM 1409 CA ARG A 91 60.876 23.910 32.058 1.00 0.23 C ATOM 1410 C ARG A 91 60.736 23.726 33.564 1.00 0.24 C ATOM 1411 O ARG A 91 61.314 22.804 34.136 1.00 0.25 O ATOM 1412 CB ARG A 91 61.787 25.104 31.764 1.00 0.27 C ATOM 1413 CG ARG A 91 63.196 24.823 32.290 1.00 1.03 C ATOM 1414 CD ARG A 91 64.086 26.043 32.049 1.00 1.35 C ATOM 1415 NE ARG A 91 65.467 25.749 32.441 1.00 2.14 N ATOM 1416 CZ ARG A 91 65.895 25.761 33.713 1.00 2.65 C ATOM 1417 NH1 ARG A 91 65.098 26.041 34.716 1.00 3.05 N ATOM 1418 NH2 ARG A 91 67.146 25.486 33.960 1.00 3.12 N ATOM 0 H ARG A 91 59.458 25.012 30.969 1.00 0.20 H new ATOM 0 HA ARG A 91 61.318 23.006 31.639 1.00 0.23 H new ATOM 0 HB2 ARG A 91 61.820 25.292 30.691 1.00 0.27 H new ATOM 0 HB3 ARG A 91 61.386 26.003 32.233 1.00 0.27 H new ATOM 0 HG2 ARG A 91 63.158 24.592 33.355 1.00 1.03 H new ATOM 0 HG3 ARG A 91 63.615 23.950 31.789 1.00 1.03 H new ATOM 0 HD2 ARG A 91 64.051 26.325 30.997 1.00 1.35 H new ATOM 0 HD3 ARG A 91 63.712 26.893 32.619 1.00 1.35 H new ATOM 0 HE ARG A 91 66.139 25.523 31.708 1.00 2.14 H new ATOM 0 HH11 ARG A 91 64.117 26.259 34.542 1.00 3.05 H new ATOM 0 HH12 ARG A 91 65.459 26.040 35.670 1.00 3.05 H new ATOM 0 HH21 ARG A 91 67.781 25.267 33.193 1.00 3.12 H new ATOM 0 HH22 ARG A 91 67.489 25.490 34.921 1.00 3.12 H new ATOM 1432 N GLU A 92 59.923 24.565 34.196 1.00 0.26 N ATOM 1433 CA GLU A 92 59.767 24.509 35.646 1.00 0.28 C ATOM 1434 C GLU A 92 59.229 23.153 36.095 1.00 0.26 C ATOM 1435 O GLU A 92 59.614 22.647 37.150 1.00 0.27 O ATOM 1436 CB GLU A 92 58.819 25.615 36.117 1.00 0.30 C ATOM 1437 CG GLU A 92 59.451 26.985 35.844 1.00 1.10 C ATOM 1438 CD GLU A 92 58.577 28.129 36.367 1.00 1.51 C ATOM 1439 OE1 GLU A 92 57.440 27.888 36.747 1.00 2.10 O ATOM 1440 OE2 GLU A 92 59.066 29.248 36.378 1.00 2.04 O ATOM 0 H GLU A 92 59.367 25.285 33.734 1.00 0.26 H new ATOM 0 HA GLU A 92 60.751 24.654 36.092 1.00 0.28 H new ATOM 0 HB2 GLU A 92 57.864 25.534 35.599 1.00 0.30 H new ATOM 0 HB3 GLU A 92 58.614 25.503 37.182 1.00 0.30 H new ATOM 0 HG2 GLU A 92 60.433 27.033 36.315 1.00 1.10 H new ATOM 0 HG3 GLU A 92 59.606 27.107 34.772 1.00 1.10 H new ATOM 1447 N LEU A 93 58.341 22.565 35.298 1.00 0.24 N ATOM 1448 CA LEU A 93 57.813 21.239 35.614 1.00 0.23 C ATOM 1449 C LEU A 93 58.892 20.154 35.546 1.00 0.22 C ATOM 1450 O LEU A 93 58.742 19.100 36.163 1.00 0.22 O ATOM 1451 CB LEU A 93 56.675 20.853 34.663 1.00 0.24 C ATOM 1452 CG LEU A 93 55.532 21.873 34.713 1.00 0.27 C ATOM 1453 CD1 LEU A 93 54.418 21.398 33.781 1.00 0.29 C ATOM 1454 CD2 LEU A 93 54.964 21.984 36.132 1.00 0.29 C ATOM 0 H LEU A 93 57.975 22.978 34.440 1.00 0.24 H new ATOM 0 HA LEU A 93 57.438 21.301 36.636 1.00 0.23 H new ATOM 0 HB2 LEU A 93 57.058 20.783 33.645 1.00 0.24 H new ATOM 0 HB3 LEU A 93 56.296 19.866 34.929 1.00 0.24 H new ATOM 0 HG LEU A 93 55.913 22.847 34.407 1.00 0.27 H new ATOM 0 HD11 LEU A 93 53.595 22.112 33.804 1.00 0.29 H new ATOM 0 HD12 LEU A 93 54.803 21.320 32.764 1.00 0.29 H new ATOM 0 HD13 LEU A 93 54.060 20.422 34.109 1.00 0.29 H new ATOM 0 HD21 LEU A 93 54.154 22.713 36.144 1.00 0.29 H new ATOM 0 HD22 LEU A 93 54.582 21.013 36.448 1.00 0.29 H new ATOM 0 HD23 LEU A 93 55.751 22.304 36.815 1.00 0.29 H new ATOM 1466 N GLY A 94 59.962 20.387 34.785 1.00 0.22 N ATOM 1467 CA GLY A 94 60.996 19.369 34.607 1.00 0.21 C ATOM 1468 C GLY A 94 61.019 18.774 33.196 1.00 0.20 C ATOM 1469 O GLY A 94 61.665 17.748 32.983 1.00 0.21 O ATOM 0 H GLY A 94 60.134 21.261 34.288 1.00 0.22 H new ATOM 0 HA2 GLY A 94 61.970 19.807 34.826 1.00 0.21 H new ATOM 0 HA3 GLY A 94 60.837 18.569 35.330 1.00 0.21 H new ATOM 1473 N ALA A 95 60.330 19.394 32.230 1.00 0.19 N ATOM 1474 CA ALA A 95 60.277 18.843 30.877 1.00 0.19 C ATOM 1475 C ALA A 95 61.688 18.700 30.319 1.00 0.19 C ATOM 1476 O ALA A 95 62.438 19.672 30.227 1.00 0.19 O ATOM 1477 CB ALA A 95 59.452 19.756 29.968 1.00 0.19 C ATOM 0 H ALA A 95 59.811 20.262 32.359 1.00 0.19 H new ATOM 0 HA ALA A 95 59.805 17.861 30.916 1.00 0.19 H new ATOM 0 HB1 ALA A 95 59.419 19.336 28.963 1.00 0.19 H new ATOM 0 HB2 ALA A 95 58.438 19.839 30.359 1.00 0.19 H new ATOM 0 HB3 ALA A 95 59.910 20.745 29.933 1.00 0.19 H new ATOM 1483 N GLN A 96 62.038 17.473 29.949 1.00 0.21 N ATOM 1484 CA GLN A 96 63.407 17.158 29.563 1.00 0.23 C ATOM 1485 C GLN A 96 63.772 17.815 28.235 1.00 0.22 C ATOM 1486 O GLN A 96 64.910 18.248 28.041 1.00 0.24 O ATOM 1487 CB GLN A 96 63.575 15.638 29.477 1.00 0.32 C ATOM 1488 CG GLN A 96 63.289 15.031 30.854 1.00 0.42 C ATOM 1489 CD GLN A 96 63.495 13.520 30.832 1.00 0.37 C ATOM 1490 OE1 GLN A 96 64.206 13.002 29.971 1.00 0.70 O ATOM 1491 NE2 GLN A 96 62.889 12.778 31.723 1.00 0.38 N ATOM 0 H GLN A 96 61.394 16.683 29.908 1.00 0.21 H new ATOM 0 HA GLN A 96 64.084 17.554 30.320 1.00 0.23 H new ATOM 0 HB2 GLN A 96 62.894 15.224 28.733 1.00 0.32 H new ATOM 0 HB3 GLN A 96 64.586 15.388 29.157 1.00 0.32 H new ATOM 0 HG2 GLN A 96 63.945 15.481 31.599 1.00 0.42 H new ATOM 0 HG3 GLN A 96 62.266 15.259 31.152 1.00 0.42 H new ATOM 0 HE21 GLN A 96 62.301 13.213 32.434 1.00 0.38 H new ATOM 0 HE22 GLN A 96 63.004 11.765 31.707 1.00 0.38 H new ATOM 1500 N ARG A 97 62.807 17.891 27.319 1.00 0.21 N ATOM 1501 CA ARG A 97 63.032 18.532 26.028 1.00 0.22 C ATOM 1502 C ARG A 97 61.903 19.510 25.717 1.00 0.19 C ATOM 1503 O ARG A 97 60.759 19.109 25.491 1.00 0.18 O ATOM 1504 CB ARG A 97 63.117 17.468 24.930 1.00 0.29 C ATOM 1505 CG ARG A 97 63.474 18.128 23.597 1.00 0.32 C ATOM 1506 CD ARG A 97 63.466 17.074 22.488 1.00 1.07 C ATOM 1507 NE ARG A 97 64.462 16.036 22.768 1.00 1.57 N ATOM 1508 CZ ARG A 97 65.767 16.168 22.487 1.00 2.17 C ATOM 1509 NH1 ARG A 97 66.258 17.251 21.932 1.00 2.42 N ATOM 1510 NH2 ARG A 97 66.576 15.186 22.774 1.00 2.89 N ATOM 0 H ARG A 97 61.867 17.518 27.448 1.00 0.21 H new ATOM 0 HA ARG A 97 63.971 19.084 26.068 1.00 0.22 H new ATOM 0 HB2 ARG A 97 63.869 16.723 25.190 1.00 0.29 H new ATOM 0 HB3 ARG A 97 62.165 16.944 24.844 1.00 0.29 H new ATOM 0 HG2 ARG A 97 62.759 18.918 23.367 1.00 0.32 H new ATOM 0 HG3 ARG A 97 64.456 18.596 23.662 1.00 0.32 H new ATOM 0 HD2 ARG A 97 62.475 16.626 22.410 1.00 1.07 H new ATOM 0 HD3 ARG A 97 63.680 17.544 21.528 1.00 1.07 H new ATOM 0 HE ARG A 97 64.146 15.167 23.199 1.00 1.57 H new ATOM 0 HH11 ARG A 97 65.641 18.029 21.699 1.00 2.42 H new ATOM 0 HH12 ARG A 97 67.256 17.314 21.733 1.00 2.42 H new ATOM 0 HH21 ARG A 97 66.213 14.336 23.205 1.00 2.89 H new ATOM 0 HH22 ARG A 97 67.571 15.268 22.568 1.00 2.89 H new ATOM 1524 N VAL A 98 62.238 20.797 25.671 1.00 0.19 N ATOM 1525 CA VAL A 98 61.245 21.834 25.394 1.00 0.17 C ATOM 1526 C VAL A 98 61.530 22.477 24.038 1.00 0.17 C ATOM 1527 O VAL A 98 62.661 22.866 23.746 1.00 0.20 O ATOM 1528 CB VAL A 98 61.275 22.895 26.502 1.00 0.18 C ATOM 1529 CG1 VAL A 98 60.181 23.936 26.253 1.00 0.18 C ATOM 1530 CG2 VAL A 98 61.030 22.230 27.863 1.00 0.18 C ATOM 0 H VAL A 98 63.184 21.147 25.821 1.00 0.19 H new ATOM 0 HA VAL A 98 60.253 21.382 25.367 1.00 0.17 H new ATOM 0 HB VAL A 98 62.251 23.380 26.500 1.00 0.18 H new ATOM 0 HG11 VAL A 98 60.207 24.687 27.043 1.00 0.18 H new ATOM 0 HG12 VAL A 98 60.349 24.417 25.289 1.00 0.18 H new ATOM 0 HG13 VAL A 98 59.207 23.447 26.249 1.00 0.18 H new ATOM 0 HG21 VAL A 98 61.052 22.987 28.647 1.00 0.18 H new ATOM 0 HG22 VAL A 98 60.056 21.740 27.859 1.00 0.18 H new ATOM 0 HG23 VAL A 98 61.807 21.490 28.051 1.00 0.18 H new ATOM 1540 N ILE A 99 60.489 22.582 23.215 1.00 0.15 N ATOM 1541 CA ILE A 99 60.622 23.114 21.863 1.00 0.16 C ATOM 1542 C ILE A 99 59.757 24.364 21.705 1.00 0.15 C ATOM 1543 O ILE A 99 58.547 24.320 21.913 1.00 0.15 O ATOM 1544 CB ILE A 99 60.193 22.031 20.859 1.00 0.17 C ATOM 1545 CG1 ILE A 99 61.105 20.807 21.018 1.00 0.20 C ATOM 1546 CG2 ILE A 99 60.280 22.559 19.419 1.00 0.18 C ATOM 1547 CD1 ILE A 99 60.521 19.617 20.251 1.00 0.22 C ATOM 0 H ILE A 99 59.540 22.304 23.464 1.00 0.15 H new ATOM 0 HA ILE A 99 61.659 23.392 21.674 1.00 0.16 H new ATOM 0 HB ILE A 99 59.159 21.752 21.060 1.00 0.17 H new ATOM 0 HG12 ILE A 99 62.103 21.036 20.645 1.00 0.20 H new ATOM 0 HG13 ILE A 99 61.209 20.555 22.073 1.00 0.20 H new ATOM 0 HG21 ILE A 99 59.972 21.777 18.725 1.00 0.18 H new ATOM 0 HG22 ILE A 99 59.623 23.422 19.308 1.00 0.18 H new ATOM 0 HG23 ILE A 99 61.306 22.854 19.201 1.00 0.18 H new ATOM 0 HD11 ILE A 99 61.174 18.752 20.369 1.00 0.22 H new ATOM 0 HD12 ILE A 99 59.532 19.381 20.644 1.00 0.22 H new ATOM 0 HD13 ILE A 99 60.441 19.870 19.194 1.00 0.22 H new ATOM 1559 N ASP A 100 60.383 25.471 21.321 1.00 0.17 N ATOM 1560 CA ASP A 100 59.644 26.702 21.066 1.00 0.18 C ATOM 1561 C ASP A 100 59.318 26.824 19.581 1.00 0.19 C ATOM 1562 O ASP A 100 60.219 26.892 18.745 1.00 0.21 O ATOM 1563 CB ASP A 100 60.470 27.912 21.514 1.00 0.21 C ATOM 1564 CG ASP A 100 59.657 29.198 21.370 1.00 0.23 C ATOM 1565 OD1 ASP A 100 58.446 29.138 21.511 1.00 1.13 O ATOM 1566 OD2 ASP A 100 60.262 30.228 21.120 1.00 1.05 O ATOM 0 H ASP A 100 61.391 25.542 21.180 1.00 0.17 H new ATOM 0 HA ASP A 100 58.713 26.673 21.632 1.00 0.18 H new ATOM 0 HB2 ASP A 100 60.779 27.785 22.551 1.00 0.21 H new ATOM 0 HB3 ASP A 100 61.379 27.981 20.916 1.00 0.21 H new ATOM 1571 N CYS A 101 58.029 26.853 19.253 1.00 0.19 N ATOM 1572 CA CYS A 101 57.610 26.944 17.854 1.00 0.21 C ATOM 1573 C CYS A 101 57.302 28.381 17.408 1.00 0.25 C ATOM 1574 O CYS A 101 57.060 28.615 16.223 1.00 0.32 O ATOM 1575 CB CYS A 101 56.374 26.069 17.627 1.00 0.26 C ATOM 1576 SG CYS A 101 54.983 26.708 18.592 1.00 0.34 S ATOM 0 H CYS A 101 57.264 26.815 19.926 1.00 0.19 H new ATOM 0 HA CYS A 101 58.448 26.593 17.253 1.00 0.21 H new ATOM 0 HB2 CYS A 101 56.117 26.055 16.568 1.00 0.26 H new ATOM 0 HB3 CYS A 101 56.587 25.040 17.917 1.00 0.26 H new ATOM 0 HG CYS A 101 55.161 26.427 19.849 1.00 0.34 H new ATOM 1582 N ARG A 102 57.311 29.344 18.332 1.00 0.29 N ATOM 1583 CA ARG A 102 57.028 30.734 17.984 1.00 0.38 C ATOM 1584 C ARG A 102 57.962 31.217 16.878 1.00 0.44 C ATOM 1585 O ARG A 102 57.545 31.938 15.971 1.00 0.54 O ATOM 1586 CB ARG A 102 57.195 31.624 19.217 1.00 0.44 C ATOM 1587 CG ARG A 102 56.741 33.049 18.886 1.00 0.51 C ATOM 1588 CD ARG A 102 56.848 33.923 20.137 1.00 1.13 C ATOM 1589 NE ARG A 102 58.255 34.139 20.485 1.00 1.77 N ATOM 1590 CZ ARG A 102 58.694 35.213 21.159 1.00 2.52 C ATOM 1591 NH1 ARG A 102 57.886 36.164 21.562 1.00 3.47 N ATOM 1592 NH2 ARG A 102 59.969 35.316 21.421 1.00 2.58 N ATOM 0 H ARG A 102 57.510 29.187 19.320 1.00 0.29 H new ATOM 0 HA ARG A 102 56.001 30.794 17.625 1.00 0.38 H new ATOM 0 HB2 ARG A 102 56.609 31.228 20.046 1.00 0.44 H new ATOM 0 HB3 ARG A 102 58.237 31.628 19.537 1.00 0.44 H new ATOM 0 HG2 ARG A 102 57.357 33.462 18.087 1.00 0.51 H new ATOM 0 HG3 ARG A 102 55.713 33.039 18.523 1.00 0.51 H new ATOM 0 HD2 ARG A 102 56.358 34.881 19.963 1.00 1.13 H new ATOM 0 HD3 ARG A 102 56.329 33.446 20.968 1.00 1.13 H new ATOM 0 HE ARG A 102 58.937 33.436 20.200 1.00 1.77 H new ATOM 0 HH11 ARG A 102 56.887 36.102 21.365 1.00 3.47 H new ATOM 0 HH12 ARG A 102 58.256 36.966 22.072 1.00 3.47 H new ATOM 0 HH21 ARG A 102 60.613 34.587 21.114 1.00 2.58 H new ATOM 0 HH22 ARG A 102 60.321 36.125 21.932 1.00 2.58 H new ATOM 1606 N GLY A 103 59.227 30.816 16.957 1.00 0.46 N ATOM 1607 CA GLY A 103 60.204 31.196 15.943 1.00 0.59 C ATOM 1608 C GLY A 103 60.324 30.134 14.852 1.00 0.55 C ATOM 1609 O GLY A 103 60.532 30.458 13.683 1.00 0.65 O ATOM 0 H GLY A 103 59.598 30.232 17.707 1.00 0.46 H new ATOM 0 HA2 GLY A 103 59.914 32.147 15.496 1.00 0.59 H new ATOM 0 HA3 GLY A 103 61.176 31.348 16.412 1.00 0.59 H new ATOM 1613 N ALA A 104 60.191 28.866 15.235 1.00 0.42 N ATOM 1614 CA ALA A 104 60.286 27.775 14.274 1.00 0.40 C ATOM 1615 C ALA A 104 58.990 27.643 13.481 1.00 0.36 C ATOM 1616 O ALA A 104 57.898 27.638 14.052 1.00 0.46 O ATOM 1617 CB ALA A 104 60.576 26.461 15.003 1.00 0.42 C ATOM 0 H ALA A 104 60.019 28.572 16.196 1.00 0.42 H new ATOM 0 HA ALA A 104 61.100 27.995 13.583 1.00 0.40 H new ATOM 0 HB1 ALA A 104 60.646 25.650 14.278 1.00 0.42 H new ATOM 0 HB2 ALA A 104 61.518 26.546 15.544 1.00 0.42 H new ATOM 0 HB3 ALA A 104 59.771 26.250 15.707 1.00 0.42 H new ATOM 1623 N SER A 105 59.118 27.537 12.163 1.00 0.33 N ATOM 1624 CA SER A 105 57.953 27.396 11.298 1.00 0.34 C ATOM 1625 C SER A 105 57.378 25.986 11.395 1.00 0.32 C ATOM 1626 O SER A 105 58.042 25.061 11.861 1.00 0.30 O ATOM 1627 CB SER A 105 58.341 27.691 9.849 1.00 0.42 C ATOM 1628 OG SER A 105 58.825 29.023 9.757 1.00 1.21 O ATOM 0 H SER A 105 60.012 27.546 11.672 1.00 0.33 H new ATOM 0 HA SER A 105 57.195 28.108 11.624 1.00 0.34 H new ATOM 0 HB2 SER A 105 59.106 26.990 9.515 1.00 0.42 H new ATOM 0 HB3 SER A 105 57.479 27.559 9.195 1.00 0.42 H new ATOM 0 HG SER A 105 59.077 29.216 8.830 1.00 1.21 H new ATOM 1634 N ALA A 106 56.136 25.823 10.947 1.00 0.33 N ATOM 1635 CA ALA A 106 55.484 24.516 10.960 1.00 0.31 C ATOM 1636 C ALA A 106 56.370 23.401 10.387 1.00 0.28 C ATOM 1637 O ALA A 106 56.594 22.402 11.076 1.00 0.26 O ATOM 1638 CB ALA A 106 54.173 24.584 10.176 1.00 0.35 C ATOM 0 H ALA A 106 55.562 26.578 10.571 1.00 0.33 H new ATOM 0 HA ALA A 106 55.290 24.268 12.004 1.00 0.31 H new ATOM 0 HB1 ALA A 106 53.690 23.607 10.189 1.00 0.35 H new ATOM 0 HB2 ALA A 106 53.513 25.321 10.634 1.00 0.35 H new ATOM 0 HB3 ALA A 106 54.380 24.873 9.146 1.00 0.35 H new ATOM 1644 N PRO A 107 56.894 23.528 9.180 1.00 0.28 N ATOM 1645 CA PRO A 107 57.759 22.450 8.604 1.00 0.27 C ATOM 1646 C PRO A 107 58.979 22.179 9.478 1.00 0.24 C ATOM 1647 O PRO A 107 59.424 21.037 9.601 1.00 0.23 O ATOM 1648 CB PRO A 107 58.152 22.949 7.209 1.00 0.29 C ATOM 1649 CG PRO A 107 57.826 24.402 7.182 1.00 0.31 C ATOM 1650 CD PRO A 107 56.720 24.631 8.211 1.00 0.31 C ATOM 0 HA PRO A 107 57.233 21.497 8.552 1.00 0.27 H new ATOM 0 HB2 PRO A 107 59.213 22.784 7.021 1.00 0.29 H new ATOM 0 HB3 PRO A 107 57.604 22.412 6.435 1.00 0.29 H new ATOM 0 HG2 PRO A 107 58.706 24.999 7.422 1.00 0.31 H new ATOM 0 HG3 PRO A 107 57.497 24.705 6.188 1.00 0.31 H new ATOM 0 HD2 PRO A 107 56.819 25.604 8.693 1.00 0.31 H new ATOM 0 HD3 PRO A 107 55.733 24.603 7.748 1.00 0.31 H new ATOM 1658 N ALA A 108 59.502 23.226 10.111 1.00 0.25 N ATOM 1659 CA ALA A 108 60.636 23.062 11.014 1.00 0.25 C ATOM 1660 C ALA A 108 60.263 22.116 12.152 1.00 0.22 C ATOM 1661 O ALA A 108 61.034 21.230 12.519 1.00 0.21 O ATOM 1662 CB ALA A 108 61.052 24.418 11.586 1.00 0.27 C ATOM 0 H ALA A 108 59.164 24.184 10.017 1.00 0.25 H new ATOM 0 HA ALA A 108 61.472 22.639 10.456 1.00 0.25 H new ATOM 0 HB1 ALA A 108 61.899 24.285 12.259 1.00 0.27 H new ATOM 0 HB2 ALA A 108 61.337 25.084 10.772 1.00 0.27 H new ATOM 0 HB3 ALA A 108 60.217 24.853 12.136 1.00 0.27 H new ATOM 1668 N LEU A 109 59.063 22.293 12.693 1.00 0.21 N ATOM 1669 CA LEU A 109 58.584 21.428 13.766 1.00 0.19 C ATOM 1670 C LEU A 109 58.550 19.974 13.303 1.00 0.18 C ATOM 1671 O LEU A 109 58.923 19.066 14.044 1.00 0.17 O ATOM 1672 CB LEU A 109 57.183 21.862 14.206 1.00 0.20 C ATOM 1673 CG LEU A 109 57.194 23.333 14.636 1.00 0.22 C ATOM 1674 CD1 LEU A 109 55.773 23.765 15.000 1.00 0.24 C ATOM 1675 CD2 LEU A 109 58.101 23.514 15.857 1.00 0.21 C ATOM 0 H LEU A 109 58.408 23.022 12.409 1.00 0.21 H new ATOM 0 HA LEU A 109 59.268 21.514 14.610 1.00 0.19 H new ATOM 0 HB2 LEU A 109 56.477 21.720 13.388 1.00 0.20 H new ATOM 0 HB3 LEU A 109 56.844 21.237 15.032 1.00 0.20 H new ATOM 0 HG LEU A 109 57.569 23.942 13.814 1.00 0.22 H new ATOM 0 HD11 LEU A 109 55.778 24.811 15.306 1.00 0.24 H new ATOM 0 HD12 LEU A 109 55.123 23.644 14.134 1.00 0.24 H new ATOM 0 HD13 LEU A 109 55.404 23.149 15.820 1.00 0.24 H new ATOM 0 HD21 LEU A 109 58.103 24.562 16.156 1.00 0.21 H new ATOM 0 HD22 LEU A 109 57.730 22.903 16.680 1.00 0.21 H new ATOM 0 HD23 LEU A 109 59.116 23.206 15.605 1.00 0.21 H new ATOM 1687 N LEU A 110 58.121 19.756 12.063 1.00 0.18 N ATOM 1688 CA LEU A 110 58.082 18.407 11.503 1.00 0.18 C ATOM 1689 C LEU A 110 59.470 17.773 11.559 1.00 0.19 C ATOM 1690 O LEU A 110 59.629 16.615 11.949 1.00 0.19 O ATOM 1691 CB LEU A 110 57.598 18.467 10.050 1.00 0.20 C ATOM 1692 CG LEU A 110 57.463 17.052 9.483 1.00 0.20 C ATOM 1693 CD1 LEU A 110 56.295 16.337 10.162 1.00 0.20 C ATOM 1694 CD2 LEU A 110 57.203 17.131 7.977 1.00 0.22 C ATOM 0 H LEU A 110 57.798 20.488 11.431 1.00 0.18 H new ATOM 0 HA LEU A 110 57.393 17.799 12.090 1.00 0.18 H new ATOM 0 HB2 LEU A 110 56.638 18.981 9.999 1.00 0.20 H new ATOM 0 HB3 LEU A 110 58.300 19.043 9.448 1.00 0.20 H new ATOM 0 HG LEU A 110 58.384 16.498 9.667 1.00 0.20 H new ATOM 0 HD11 LEU A 110 56.200 15.329 9.757 1.00 0.20 H new ATOM 0 HD12 LEU A 110 56.477 16.281 11.235 1.00 0.20 H new ATOM 0 HD13 LEU A 110 55.374 16.890 9.979 1.00 0.20 H new ATOM 0 HD21 LEU A 110 57.107 16.124 7.571 1.00 0.22 H new ATOM 0 HD22 LEU A 110 56.282 17.685 7.795 1.00 0.22 H new ATOM 0 HD23 LEU A 110 58.035 17.640 7.490 1.00 0.22 H new ATOM 1706 N ALA A 111 60.477 18.558 11.199 1.00 0.20 N ATOM 1707 CA ALA A 111 61.853 18.078 11.234 1.00 0.22 C ATOM 1708 C ALA A 111 62.243 17.677 12.654 1.00 0.22 C ATOM 1709 O ALA A 111 62.893 16.654 12.865 1.00 0.24 O ATOM 1710 CB ALA A 111 62.800 19.168 10.731 1.00 0.25 C ATOM 0 H ALA A 111 60.369 19.522 10.882 1.00 0.20 H new ATOM 0 HA ALA A 111 61.930 17.204 10.587 1.00 0.22 H new ATOM 0 HB1 ALA A 111 63.826 18.801 10.761 1.00 0.25 H new ATOM 0 HB2 ALA A 111 62.539 19.433 9.706 1.00 0.25 H new ATOM 0 HB3 ALA A 111 62.711 20.049 11.367 1.00 0.25 H new ATOM 1716 N ALA A 112 61.823 18.476 13.628 1.00 0.20 N ATOM 1717 CA ALA A 112 62.145 18.197 15.023 1.00 0.21 C ATOM 1718 C ALA A 112 61.593 16.838 15.442 1.00 0.21 C ATOM 1719 O ALA A 112 62.273 16.061 16.112 1.00 0.24 O ATOM 1720 CB ALA A 112 61.558 19.287 15.923 1.00 0.19 C ATOM 0 H ALA A 112 61.263 19.316 13.480 1.00 0.20 H new ATOM 0 HA ALA A 112 63.230 18.183 15.128 1.00 0.21 H new ATOM 0 HB1 ALA A 112 61.803 19.071 16.963 1.00 0.19 H new ATOM 0 HB2 ALA A 112 61.977 20.254 15.645 1.00 0.19 H new ATOM 0 HB3 ALA A 112 60.475 19.313 15.803 1.00 0.19 H new ATOM 1726 N LEU A 113 60.369 16.543 15.022 1.00 0.19 N ATOM 1727 CA LEU A 113 59.738 15.275 15.370 1.00 0.20 C ATOM 1728 C LEU A 113 60.589 14.108 14.888 1.00 0.22 C ATOM 1729 O LEU A 113 60.916 13.199 15.652 1.00 0.25 O ATOM 1730 CB LEU A 113 58.345 15.200 14.726 1.00 0.20 C ATOM 1731 CG LEU A 113 57.291 15.784 15.672 1.00 0.22 C ATOM 1732 CD1 LEU A 113 56.094 16.286 14.863 1.00 0.24 C ATOM 1733 CD2 LEU A 113 56.826 14.693 16.641 1.00 0.27 C ATOM 0 H LEU A 113 59.797 17.159 14.444 1.00 0.19 H new ATOM 0 HA LEU A 113 59.643 15.215 16.454 1.00 0.20 H new ATOM 0 HB2 LEU A 113 58.342 15.748 13.784 1.00 0.20 H new ATOM 0 HB3 LEU A 113 58.100 14.164 14.492 1.00 0.20 H new ATOM 0 HG LEU A 113 57.723 16.615 16.230 1.00 0.22 H new ATOM 0 HD11 LEU A 113 55.346 16.701 15.539 1.00 0.24 H new ATOM 0 HD12 LEU A 113 56.423 17.058 14.168 1.00 0.24 H new ATOM 0 HD13 LEU A 113 55.659 15.457 14.305 1.00 0.24 H new ATOM 0 HD21 LEU A 113 56.076 15.103 17.317 1.00 0.27 H new ATOM 0 HD22 LEU A 113 56.394 13.866 16.078 1.00 0.27 H new ATOM 0 HD23 LEU A 113 57.677 14.333 17.219 1.00 0.27 H new ATOM 1745 N THR A 114 60.975 14.160 13.620 1.00 0.22 N ATOM 1746 CA THR A 114 61.715 13.056 13.021 1.00 0.24 C ATOM 1747 C THR A 114 63.059 12.852 13.713 1.00 0.28 C ATOM 1748 O THR A 114 63.471 11.718 13.956 1.00 0.31 O ATOM 1749 CB THR A 114 61.928 13.321 11.529 1.00 0.26 C ATOM 1750 OG1 THR A 114 62.694 14.505 11.363 1.00 0.28 O ATOM 1751 CG2 THR A 114 60.570 13.485 10.840 1.00 0.25 C ATOM 0 H THR A 114 60.792 14.943 12.993 1.00 0.22 H new ATOM 0 HA THR A 114 61.129 12.146 13.147 1.00 0.24 H new ATOM 0 HB THR A 114 62.460 12.481 11.082 1.00 0.26 H new ATOM 0 HG1 THR A 114 62.493 15.129 12.091 1.00 0.28 H new ATOM 0 HG21 THR A 114 60.722 13.674 9.777 1.00 0.25 H new ATOM 0 HG22 THR A 114 59.985 12.574 10.967 1.00 0.25 H new ATOM 0 HG23 THR A 114 60.035 14.324 11.285 1.00 0.25 H new ATOM 1759 N SER A 115 63.736 13.948 14.038 1.00 0.29 N ATOM 1760 CA SER A 115 65.035 13.864 14.699 1.00 0.34 C ATOM 1761 C SER A 115 64.923 13.190 16.065 1.00 0.36 C ATOM 1762 O SER A 115 65.731 12.329 16.410 1.00 0.41 O ATOM 1763 CB SER A 115 65.623 15.264 14.870 1.00 0.36 C ATOM 1764 OG SER A 115 66.959 15.156 15.341 1.00 1.25 O ATOM 0 H SER A 115 63.411 14.898 13.857 1.00 0.29 H new ATOM 0 HA SER A 115 65.691 13.260 14.071 1.00 0.34 H new ATOM 0 HB2 SER A 115 65.602 15.799 13.920 1.00 0.36 H new ATOM 0 HB3 SER A 115 65.022 15.840 15.574 1.00 0.36 H new ATOM 0 HG SER A 115 67.341 16.052 15.451 1.00 1.25 H new ATOM 1770 N ALA A 116 63.918 13.587 16.841 1.00 0.33 N ATOM 1771 CA ALA A 116 63.730 13.039 18.180 1.00 0.36 C ATOM 1772 C ALA A 116 63.482 11.534 18.130 1.00 0.38 C ATOM 1773 O ALA A 116 63.966 10.789 18.982 1.00 0.44 O ATOM 1774 CB ALA A 116 62.549 13.733 18.863 1.00 0.33 C ATOM 0 H ALA A 116 63.225 14.283 16.567 1.00 0.33 H new ATOM 0 HA ALA A 116 64.641 13.217 18.751 1.00 0.36 H new ATOM 0 HB1 ALA A 116 62.413 13.320 19.863 1.00 0.33 H new ATOM 0 HB2 ALA A 116 62.748 14.802 18.936 1.00 0.33 H new ATOM 0 HB3 ALA A 116 61.644 13.572 18.277 1.00 0.33 H new ATOM 1780 N ALA A 117 62.725 11.091 17.131 1.00 0.35 N ATOM 1781 CA ALA A 117 62.427 9.670 16.982 1.00 0.39 C ATOM 1782 C ALA A 117 63.704 8.848 16.814 1.00 0.44 C ATOM 1783 O ALA A 117 63.786 7.716 17.292 1.00 0.50 O ATOM 1784 CB ALA A 117 61.520 9.454 15.768 1.00 0.37 C ATOM 0 H ALA A 117 62.309 11.690 16.417 1.00 0.35 H new ATOM 0 HA ALA A 117 61.921 9.337 17.888 1.00 0.39 H new ATOM 0 HB1 ALA A 117 61.301 8.392 15.662 1.00 0.37 H new ATOM 0 HB2 ALA A 117 60.589 10.004 15.907 1.00 0.37 H new ATOM 0 HB3 ALA A 117 62.023 9.812 14.870 1.00 0.37 H new