USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 876 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 39 SER OG : rot 180:sc=-0.00143 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.178 (180deg=-0.646) USER MOD Single : A 1 MET N :NH3+ -135:sc= 0.822 (180deg=-1.45!) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= -0.0145 (180deg=-0.165) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.909 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0494) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 138:sc= -0.496 (180deg=-2.79!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=0.84) USER MOD Single : A 49 HIS : no HD1:sc= -0.635 K(o=-0.64,f=-1.9!) USER MOD Single : B 201 MET CE :methyl 155:sc= -0.286 (180deg=-1.21) USER MOD Single : B 211 LYS NZ :NH3+ 167:sc= -0.0144 (180deg=-0.166) USER MOD Single : B 213 THR OG1 : rot 180:sc= -0.244 USER MOD Single : B 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 221 TYR OH : rot 180:sc= 0 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 230 SER OG : rot 180:sc= 0 USER MOD Single : B 235 ASN : amide:sc= -0.657 K(o=-0.66,f=0) USER MOD Single : B 236 THR OG1 : rot -150:sc= -0.299 USER MOD Single : B 237 SER OG : rot 66:sc= 0.00326 USER MOD Single : B 238 MET CE :methyl -154:sc= 0 (180deg=-0.0549) USER MOD Single : B 239 SER OG : rot -103:sc= 0.913 USER MOD Single : B 241 TYR OH : rot 30:sc= 0 USER MOD Single : B 248 ASN : amide:sc= -0.0207 K(o=-0.021,f=-0.58) USER MOD Single : B 249 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.254 6.384 0.440 1.00 33.55 N ATOM 2 CA MET A 1 20.028 7.748 0.992 1.00 2.53 C ATOM 3 C MET A 1 19.692 7.692 2.490 1.00 65.42 C ATOM 4 O MET A 1 19.652 6.618 3.086 1.00 42.44 O ATOM 5 CB MET A 1 18.888 8.441 0.232 1.00 51.11 C ATOM 6 CG MET A 1 19.137 8.580 -1.265 1.00 15.23 C ATOM 7 SD MET A 1 17.772 9.384 -2.125 1.00 71.14 S ATOM 8 CE MET A 1 16.430 8.237 -1.797 1.00 43.12 C ATOM 0 H1 MET A 1 21.103 6.389 -0.161 1.00 33.55 H new ATOM 0 H2 MET A 1 20.387 5.711 1.222 1.00 33.55 H new ATOM 0 H3 MET A 1 19.430 6.098 -0.127 1.00 33.55 H new ATOM 0 HA MET A 1 20.949 8.318 0.868 1.00 2.53 H new ATOM 0 HB2 MET A 1 17.967 7.878 0.386 1.00 51.11 H new ATOM 0 HB3 MET A 1 18.731 9.432 0.658 1.00 51.11 H new ATOM 0 HG2 MET A 1 20.050 9.153 -1.426 1.00 15.23 H new ATOM 0 HG3 MET A 1 19.301 7.592 -1.695 1.00 15.23 H new ATOM 0 HE1 MET A 1 15.620 8.412 -2.506 1.00 43.12 H new ATOM 0 HE2 MET A 1 16.791 7.214 -1.904 1.00 43.12 H new ATOM 0 HE3 MET A 1 16.063 8.388 -0.782 1.00 43.12 H new ATOM 20 N VAL A 2 19.475 8.859 3.100 1.00 0.32 N ATOM 21 CA VAL A 2 19.043 8.936 4.504 1.00 3.54 C ATOM 22 C VAL A 2 17.546 9.270 4.610 1.00 71.35 C ATOM 23 O VAL A 2 16.951 9.180 5.683 1.00 41.34 O ATOM 24 CB VAL A 2 19.856 9.992 5.300 1.00 5.42 C ATOM 25 CG1 VAL A 2 21.345 9.666 5.266 1.00 51.14 C ATOM 26 CG2 VAL A 2 19.594 11.402 4.771 1.00 74.44 C ATOM 0 H VAL A 2 19.590 9.766 2.647 1.00 0.32 H new ATOM 0 HA VAL A 2 19.225 7.953 4.938 1.00 3.54 H new ATOM 0 HB VAL A 2 19.524 9.959 6.338 1.00 5.42 H new ATOM 0 HG11 VAL A 2 21.895 10.419 5.830 1.00 51.14 H new ATOM 0 HG12 VAL A 2 21.513 8.685 5.711 1.00 51.14 H new ATOM 0 HG13 VAL A 2 21.693 9.660 4.233 1.00 51.14 H new ATOM 0 HG21 VAL A 2 20.176 12.121 5.347 1.00 74.44 H new ATOM 0 HG22 VAL A 2 19.885 11.457 3.722 1.00 74.44 H new ATOM 0 HG23 VAL A 2 18.533 11.635 4.866 1.00 74.44 H new ATOM 36 N GLY A 3 16.950 9.662 3.483 1.00 73.52 N ATOM 37 CA GLY A 3 15.534 10.022 3.455 1.00 72.13 C ATOM 38 C GLY A 3 15.281 11.374 2.794 1.00 73.23 C ATOM 39 O GLY A 3 15.015 12.366 3.474 1.00 22.03 O ATOM 0 H GLY A 3 17.424 9.738 2.583 1.00 73.52 H new ATOM 0 HA2 GLY A 3 14.978 9.252 2.920 1.00 72.13 H new ATOM 0 HA3 GLY A 3 15.149 10.043 4.474 1.00 72.13 H new ATOM 43 N ARG A 4 15.382 11.420 1.466 1.00 11.44 N ATOM 44 CA ARG A 4 15.131 12.654 0.708 1.00 33.14 C ATOM 45 C ARG A 4 14.106 12.413 -0.409 1.00 42.42 C ATOM 46 O ARG A 4 14.458 11.991 -1.513 1.00 14.24 O ATOM 47 CB ARG A 4 16.438 13.211 0.115 1.00 52.30 C ATOM 48 CG ARG A 4 17.479 13.601 1.160 1.00 44.22 C ATOM 49 CD ARG A 4 16.940 14.635 2.148 1.00 72.32 C ATOM 50 NE ARG A 4 17.923 14.978 3.171 1.00 33.21 N ATOM 51 CZ ARG A 4 17.856 14.593 4.416 1.00 55.44 C ATOM 52 NH1 ARG A 4 16.887 13.838 4.829 1.00 44.44 N ATOM 53 NH2 ARG A 4 18.769 14.957 5.252 1.00 64.22 N ATOM 0 H ARG A 4 15.636 10.618 0.889 1.00 11.44 H new ATOM 0 HA ARG A 4 14.723 13.390 1.400 1.00 33.14 H new ATOM 0 HB2 ARG A 4 16.870 12.464 -0.551 1.00 52.30 H new ATOM 0 HB3 ARG A 4 16.205 14.085 -0.494 1.00 52.30 H new ATOM 0 HG2 ARG A 4 17.797 12.712 1.704 1.00 44.22 H new ATOM 0 HG3 ARG A 4 18.361 14.002 0.661 1.00 44.22 H new ATOM 0 HD2 ARG A 4 16.650 15.536 1.608 1.00 72.32 H new ATOM 0 HD3 ARG A 4 16.041 14.246 2.625 1.00 72.32 H new ATOM 0 HE ARG A 4 18.715 15.557 2.894 1.00 33.21 H new ATOM 0 HH11 ARG A 4 16.162 13.536 4.178 1.00 44.44 H new ATOM 0 HH12 ARG A 4 16.849 13.546 5.805 1.00 44.44 H new ATOM 0 HH21 ARG A 4 19.542 15.545 4.939 1.00 64.22 H new ATOM 0 HH22 ARG A 4 18.718 14.657 6.226 1.00 64.22 H new ATOM 67 N ARG A 5 12.835 12.665 -0.106 1.00 51.42 N ATOM 68 CA ARG A 5 11.749 12.474 -1.073 1.00 31.11 C ATOM 69 C ARG A 5 11.742 13.568 -2.155 1.00 3.32 C ATOM 70 O ARG A 5 12.078 14.723 -1.887 1.00 52.53 O ATOM 71 CB ARG A 5 10.396 12.452 -0.347 1.00 70.41 C ATOM 72 CG ARG A 5 10.069 13.746 0.397 1.00 63.23 C ATOM 73 CD ARG A 5 8.728 13.663 1.119 1.00 64.43 C ATOM 74 NE ARG A 5 8.375 14.922 1.767 1.00 51.31 N ATOM 75 CZ ARG A 5 7.505 15.035 2.732 1.00 33.13 C ATOM 76 NH1 ARG A 5 6.941 13.984 3.241 1.00 11.02 N ATOM 77 NH2 ARG A 5 7.217 16.202 3.206 1.00 21.52 N ATOM 0 H ARG A 5 12.527 13.004 0.806 1.00 51.42 H new ATOM 0 HA ARG A 5 11.917 11.518 -1.569 1.00 31.11 H new ATOM 0 HB2 ARG A 5 9.608 12.254 -1.074 1.00 70.41 H new ATOM 0 HB3 ARG A 5 10.390 11.625 0.363 1.00 70.41 H new ATOM 0 HG2 ARG A 5 10.857 13.959 1.119 1.00 63.23 H new ATOM 0 HG3 ARG A 5 10.050 14.576 -0.309 1.00 63.23 H new ATOM 0 HD2 ARG A 5 7.949 13.392 0.406 1.00 64.43 H new ATOM 0 HD3 ARG A 5 8.767 12.870 1.866 1.00 64.43 H new ATOM 0 HE ARG A 5 8.840 15.770 1.444 1.00 51.31 H new ATOM 0 HH11 ARG A 5 7.176 13.057 2.887 1.00 11.02 H new ATOM 0 HH12 ARG A 5 6.262 14.084 3.995 1.00 11.02 H new ATOM 0 HH21 ARG A 5 7.670 17.033 2.825 1.00 21.52 H new ATOM 0 HH22 ARG A 5 6.537 16.292 3.961 1.00 21.52 H new ATOM 91 N PRO A 6 11.365 13.215 -3.399 1.00 51.51 N ATOM 92 CA PRO A 6 11.232 14.194 -4.492 1.00 2.41 C ATOM 93 C PRO A 6 10.004 15.109 -4.318 1.00 42.33 C ATOM 94 O PRO A 6 9.356 15.106 -3.268 1.00 43.45 O ATOM 95 CB PRO A 6 11.082 13.305 -5.737 1.00 72.32 C ATOM 96 CG PRO A 6 10.481 12.040 -5.223 1.00 63.33 C ATOM 97 CD PRO A 6 11.057 11.840 -3.845 1.00 24.24 C ATOM 0 HA PRO A 6 12.079 14.878 -4.539 1.00 2.41 H new ATOM 0 HB2 PRO A 6 10.442 13.774 -6.484 1.00 72.32 H new ATOM 0 HB3 PRO A 6 12.046 13.122 -6.212 1.00 72.32 H new ATOM 0 HG2 PRO A 6 9.394 12.111 -5.186 1.00 63.33 H new ATOM 0 HG3 PRO A 6 10.723 11.200 -5.874 1.00 63.33 H new ATOM 0 HD2 PRO A 6 10.345 11.352 -3.179 1.00 24.24 H new ATOM 0 HD3 PRO A 6 11.950 11.216 -3.870 1.00 24.24 H new ATOM 105 N GLY A 7 9.691 15.901 -5.340 1.00 54.34 N ATOM 106 CA GLY A 7 8.534 16.792 -5.269 1.00 3.41 C ATOM 107 C GLY A 7 7.772 16.888 -6.585 1.00 24.40 C ATOM 108 O GLY A 7 8.344 16.700 -7.660 1.00 75.30 O ATOM 0 H GLY A 7 10.213 15.945 -6.215 1.00 54.34 H new ATOM 0 HA2 GLY A 7 7.858 16.439 -4.490 1.00 3.41 H new ATOM 0 HA3 GLY A 7 8.867 17.787 -4.975 1.00 3.41 H new ATOM 112 N GLY A 8 6.476 17.184 -6.506 1.00 51.54 N ATOM 113 CA GLY A 8 5.663 17.324 -7.711 1.00 74.44 C ATOM 114 C GLY A 8 4.245 16.783 -7.553 1.00 34.12 C ATOM 115 O GLY A 8 3.371 17.458 -7.008 1.00 1.12 O ATOM 0 H GLY A 8 5.972 17.330 -5.631 1.00 51.54 H new ATOM 0 HA2 GLY A 8 5.613 18.378 -7.986 1.00 74.44 H new ATOM 0 HA3 GLY A 8 6.153 16.803 -8.533 1.00 74.44 H new ATOM 119 N GLY A 9 4.025 15.563 -8.024 1.00 73.31 N ATOM 120 CA GLY A 9 2.696 14.960 -7.990 1.00 24.03 C ATOM 121 C GLY A 9 2.454 13.970 -9.132 1.00 61.41 C ATOM 122 O GLY A 9 1.420 13.301 -9.169 1.00 41.41 O ATOM 0 H GLY A 9 4.747 14.971 -8.434 1.00 73.31 H new ATOM 0 HA2 GLY A 9 2.561 14.447 -7.038 1.00 24.03 H new ATOM 0 HA3 GLY A 9 1.945 15.749 -8.036 1.00 24.03 H new ATOM 126 N LEU A 10 3.417 13.854 -10.050 1.00 72.04 N ATOM 127 CA LEU A 10 3.263 13.008 -11.247 1.00 12.14 C ATOM 128 C LEU A 10 4.306 11.872 -11.310 1.00 11.13 C ATOM 129 O LEU A 10 3.957 10.691 -11.290 1.00 64.13 O ATOM 130 CB LEU A 10 3.377 13.877 -12.510 1.00 15.43 C ATOM 131 CG LEU A 10 2.357 15.024 -12.621 1.00 24.23 C ATOM 132 CD1 LEU A 10 2.639 15.876 -13.855 1.00 61.15 C ATOM 133 CD2 LEU A 10 0.930 14.479 -12.657 1.00 54.51 C ATOM 0 H LEU A 10 4.315 14.334 -9.991 1.00 72.04 H new ATOM 0 HA LEU A 10 2.279 12.543 -11.189 1.00 12.14 H new ATOM 0 HB2 LEU A 10 4.380 14.302 -12.548 1.00 15.43 H new ATOM 0 HB3 LEU A 10 3.270 13.233 -13.383 1.00 15.43 H new ATOM 0 HG LEU A 10 2.457 15.655 -11.738 1.00 24.23 H new ATOM 0 HD11 LEU A 10 1.907 16.682 -13.916 1.00 61.15 H new ATOM 0 HD12 LEU A 10 3.641 16.300 -13.783 1.00 61.15 H new ATOM 0 HD13 LEU A 10 2.571 15.256 -14.749 1.00 61.15 H new ATOM 0 HD21 LEU A 10 0.226 15.307 -12.736 1.00 54.51 H new ATOM 0 HD22 LEU A 10 0.814 13.821 -13.518 1.00 54.51 H new ATOM 0 HD23 LEU A 10 0.731 13.919 -11.743 1.00 54.51 H new ATOM 145 N LYS A 11 5.584 12.238 -11.387 1.00 15.44 N ATOM 146 CA LYS A 11 6.672 11.263 -11.602 1.00 12.03 C ATOM 147 C LYS A 11 7.502 11.015 -10.326 1.00 31.42 C ATOM 148 O LYS A 11 8.365 10.133 -10.292 1.00 54.22 O ATOM 149 CB LYS A 11 7.587 11.768 -12.726 1.00 22.33 C ATOM 150 CG LYS A 11 8.241 13.113 -12.422 1.00 21.04 C ATOM 151 CD LYS A 11 9.060 13.633 -13.600 1.00 61.15 C ATOM 152 CE LYS A 11 9.721 14.968 -13.279 1.00 45.31 C ATOM 153 NZ LYS A 11 10.717 14.848 -12.178 1.00 55.13 N ATOM 0 H LYS A 11 5.901 13.204 -11.304 1.00 15.44 H new ATOM 0 HA LYS A 11 6.216 10.312 -11.878 1.00 12.03 H new ATOM 0 HB2 LYS A 11 8.366 11.028 -12.910 1.00 22.33 H new ATOM 0 HB3 LYS A 11 7.007 11.855 -13.645 1.00 22.33 H new ATOM 0 HG2 LYS A 11 7.471 13.841 -12.167 1.00 21.04 H new ATOM 0 HG3 LYS A 11 8.886 13.013 -11.549 1.00 21.04 H new ATOM 0 HD2 LYS A 11 9.825 12.902 -13.863 1.00 61.15 H new ATOM 0 HD3 LYS A 11 8.414 13.746 -14.471 1.00 61.15 H new ATOM 0 HE2 LYS A 11 10.213 15.353 -14.172 1.00 45.31 H new ATOM 0 HE3 LYS A 11 8.957 15.693 -12.999 1.00 45.31 H new ATOM 0 HZ1 LYS A 11 11.284 15.718 -12.127 1.00 55.13 H new ATOM 0 HZ2 LYS A 11 10.221 14.705 -11.275 1.00 55.13 H new ATOM 0 HZ3 LYS A 11 11.342 14.037 -12.362 1.00 55.13 H new ATOM 167 N ASP A 12 7.225 11.796 -9.289 1.00 35.10 N ATOM 168 CA ASP A 12 7.970 11.751 -8.020 1.00 24.41 C ATOM 169 C ASP A 12 7.889 10.370 -7.316 1.00 35.12 C ATOM 170 O ASP A 12 8.819 9.564 -7.407 1.00 24.20 O ATOM 171 CB ASP A 12 7.454 12.872 -7.104 1.00 40.24 C ATOM 172 CG ASP A 12 5.938 12.877 -7.024 1.00 62.02 C ATOM 173 OD1 ASP A 12 5.293 13.190 -8.043 1.00 13.12 O ATOM 174 OD2 ASP A 12 5.386 12.519 -5.967 1.00 4.30 O ATOM 0 H ASP A 12 6.474 12.486 -9.297 1.00 35.10 H new ATOM 0 HA ASP A 12 9.026 11.904 -8.242 1.00 24.41 H new ATOM 0 HB2 ASP A 12 7.871 12.747 -6.105 1.00 40.24 H new ATOM 0 HB3 ASP A 12 7.802 13.836 -7.476 1.00 40.24 H new ATOM 179 N THR A 13 6.784 10.106 -6.611 1.00 51.42 N ATOM 180 CA THR A 13 6.597 8.841 -5.886 1.00 53.24 C ATOM 181 C THR A 13 6.396 7.658 -6.844 1.00 64.23 C ATOM 182 O THR A 13 5.827 7.807 -7.929 1.00 52.12 O ATOM 183 CB THR A 13 5.393 8.929 -4.915 1.00 43.25 C ATOM 184 OG1 THR A 13 4.221 9.362 -5.620 1.00 41.31 O ATOM 185 CG2 THR A 13 5.680 9.893 -3.766 1.00 62.24 C ATOM 0 H THR A 13 6.001 10.754 -6.526 1.00 51.42 H new ATOM 0 HA THR A 13 7.509 8.669 -5.314 1.00 53.24 H new ATOM 0 HB THR A 13 5.225 7.935 -4.500 1.00 43.25 H new ATOM 0 HG1 THR A 13 3.465 9.413 -4.998 1.00 41.31 H new ATOM 0 HG21 THR A 13 4.817 9.934 -3.101 1.00 62.24 H new ATOM 0 HG22 THR A 13 6.551 9.547 -3.209 1.00 62.24 H new ATOM 0 HG23 THR A 13 5.877 10.888 -4.166 1.00 62.24 H new ATOM 193 N LYS A 14 6.854 6.478 -6.428 1.00 42.54 N ATOM 194 CA LYS A 14 6.868 5.295 -7.300 1.00 42.00 C ATOM 195 C LYS A 14 5.548 4.507 -7.213 1.00 45.12 C ATOM 196 O LYS A 14 5.109 4.136 -6.122 1.00 30.13 O ATOM 197 CB LYS A 14 8.042 4.379 -6.918 1.00 73.03 C ATOM 198 CG LYS A 14 9.384 5.104 -6.788 1.00 31.13 C ATOM 199 CD LYS A 14 9.814 5.780 -8.091 1.00 44.55 C ATOM 200 CE LYS A 14 10.099 4.767 -9.196 1.00 12.40 C ATOM 201 NZ LYS A 14 10.565 5.424 -10.446 1.00 22.04 N ATOM 0 H LYS A 14 7.222 6.312 -5.491 1.00 42.54 H new ATOM 0 HA LYS A 14 6.986 5.641 -8.327 1.00 42.00 H new ATOM 0 HB2 LYS A 14 7.813 3.888 -5.972 1.00 73.03 H new ATOM 0 HB3 LYS A 14 8.136 3.595 -7.669 1.00 73.03 H new ATOM 0 HG2 LYS A 14 9.313 5.854 -6.000 1.00 31.13 H new ATOM 0 HG3 LYS A 14 10.150 4.391 -6.482 1.00 31.13 H new ATOM 0 HD2 LYS A 14 9.031 6.464 -8.420 1.00 44.55 H new ATOM 0 HD3 LYS A 14 10.706 6.380 -7.911 1.00 44.55 H new ATOM 0 HE2 LYS A 14 10.855 4.060 -8.854 1.00 12.40 H new ATOM 0 HE3 LYS A 14 9.196 4.192 -9.403 1.00 12.40 H new ATOM 0 HZ1 LYS A 14 10.747 4.701 -11.171 1.00 22.04 H new ATOM 0 HZ2 LYS A 14 9.833 6.080 -10.787 1.00 22.04 H new ATOM 0 HZ3 LYS A 14 11.441 5.952 -10.255 1.00 22.04 H new ATOM 215 N PRO A 15 4.891 4.242 -8.362 1.00 12.11 N ATOM 216 CA PRO A 15 3.644 3.460 -8.401 1.00 20.43 C ATOM 217 C PRO A 15 3.877 1.941 -8.253 1.00 34.02 C ATOM 218 O PRO A 15 4.207 1.247 -9.220 1.00 11.14 O ATOM 219 CB PRO A 15 3.069 3.800 -9.781 1.00 24.34 C ATOM 220 CG PRO A 15 4.268 4.085 -10.627 1.00 20.23 C ATOM 221 CD PRO A 15 5.296 4.702 -9.709 1.00 14.01 C ATOM 0 HA PRO A 15 2.980 3.706 -7.572 1.00 20.43 H new ATOM 0 HB2 PRO A 15 2.487 2.971 -10.184 1.00 24.34 H new ATOM 0 HB3 PRO A 15 2.404 4.662 -9.732 1.00 24.34 H new ATOM 0 HG2 PRO A 15 4.650 3.171 -11.080 1.00 20.23 H new ATOM 0 HG3 PRO A 15 4.017 4.764 -11.442 1.00 20.23 H new ATOM 0 HD2 PRO A 15 6.304 4.371 -9.958 1.00 14.01 H new ATOM 0 HD3 PRO A 15 5.292 5.790 -9.778 1.00 14.01 H new ATOM 229 N VAL A 16 3.723 1.435 -7.031 1.00 54.44 N ATOM 230 CA VAL A 16 3.868 0.001 -6.752 1.00 40.41 C ATOM 231 C VAL A 16 2.500 -0.707 -6.782 1.00 15.20 C ATOM 232 O VAL A 16 1.493 -0.160 -6.324 1.00 71.23 O ATOM 233 CB VAL A 16 4.553 -0.236 -5.376 1.00 63.14 C ATOM 234 CG1 VAL A 16 3.750 0.399 -4.240 1.00 23.25 C ATOM 235 CG2 VAL A 16 4.773 -1.730 -5.121 1.00 30.45 C ATOM 0 H VAL A 16 3.496 1.998 -6.211 1.00 54.44 H new ATOM 0 HA VAL A 16 4.500 -0.421 -7.533 1.00 40.41 H new ATOM 0 HB VAL A 16 5.529 0.248 -5.405 1.00 63.14 H new ATOM 0 HG11 VAL A 16 4.255 0.216 -3.291 1.00 23.25 H new ATOM 0 HG12 VAL A 16 3.670 1.473 -4.407 1.00 23.25 H new ATOM 0 HG13 VAL A 16 2.752 -0.039 -4.211 1.00 23.25 H new ATOM 0 HG21 VAL A 16 5.253 -1.867 -4.152 1.00 30.45 H new ATOM 0 HG22 VAL A 16 3.812 -2.245 -5.126 1.00 30.45 H new ATOM 0 HG23 VAL A 16 5.410 -2.143 -5.903 1.00 30.45 H new ATOM 245 N VAL A 17 2.462 -1.918 -7.337 1.00 62.13 N ATOM 246 CA VAL A 17 1.213 -2.683 -7.434 1.00 43.44 C ATOM 247 C VAL A 17 1.016 -3.615 -6.222 1.00 70.04 C ATOM 248 O VAL A 17 1.781 -4.556 -6.004 1.00 43.23 O ATOM 249 CB VAL A 17 1.158 -3.503 -8.752 1.00 12.14 C ATOM 250 CG1 VAL A 17 2.369 -4.433 -8.881 1.00 11.14 C ATOM 251 CG2 VAL A 17 -0.151 -4.288 -8.849 1.00 24.41 C ATOM 0 H VAL A 17 3.277 -2.392 -7.726 1.00 62.13 H new ATOM 0 HA VAL A 17 0.398 -1.959 -7.438 1.00 43.44 H new ATOM 0 HB VAL A 17 1.194 -2.800 -9.584 1.00 12.14 H new ATOM 0 HG11 VAL A 17 2.300 -4.993 -9.814 1.00 11.14 H new ATOM 0 HG12 VAL A 17 3.284 -3.841 -8.880 1.00 11.14 H new ATOM 0 HG13 VAL A 17 2.385 -5.128 -8.041 1.00 11.14 H new ATOM 0 HG21 VAL A 17 -0.167 -4.855 -9.780 1.00 24.41 H new ATOM 0 HG22 VAL A 17 -0.227 -4.974 -8.005 1.00 24.41 H new ATOM 0 HG23 VAL A 17 -0.993 -3.596 -8.831 1.00 24.41 H new ATOM 261 N VAL A 18 -0.014 -3.335 -5.429 1.00 30.21 N ATOM 262 CA VAL A 18 -0.341 -4.143 -4.250 1.00 4.35 C ATOM 263 C VAL A 18 -1.706 -4.829 -4.419 1.00 52.42 C ATOM 264 O VAL A 18 -2.657 -4.219 -4.897 1.00 35.30 O ATOM 265 CB VAL A 18 -0.366 -3.272 -2.971 1.00 64.54 C ATOM 266 CG1 VAL A 18 -0.605 -4.134 -1.731 1.00 62.24 C ATOM 267 CG2 VAL A 18 0.931 -2.472 -2.836 1.00 34.11 C ATOM 0 H VAL A 18 -0.644 -2.548 -5.581 1.00 30.21 H new ATOM 0 HA VAL A 18 0.434 -4.903 -4.150 1.00 4.35 H new ATOM 0 HB VAL A 18 -1.193 -2.567 -3.056 1.00 64.54 H new ATOM 0 HG11 VAL A 18 -0.619 -3.500 -0.844 1.00 62.24 H new ATOM 0 HG12 VAL A 18 -1.562 -4.648 -1.824 1.00 62.24 H new ATOM 0 HG13 VAL A 18 0.195 -4.869 -1.639 1.00 62.24 H new ATOM 0 HG21 VAL A 18 0.892 -1.867 -1.930 1.00 34.11 H new ATOM 0 HG22 VAL A 18 1.777 -3.157 -2.779 1.00 34.11 H new ATOM 0 HG23 VAL A 18 1.049 -1.821 -3.703 1.00 34.11 H new ATOM 277 N ARG A 19 -1.802 -6.097 -4.034 1.00 33.33 N ATOM 278 CA ARG A 19 -3.048 -6.856 -4.197 1.00 51.14 C ATOM 279 C ARG A 19 -3.810 -7.010 -2.869 1.00 53.34 C ATOM 280 O ARG A 19 -3.231 -7.391 -1.853 1.00 65.11 O ATOM 281 CB ARG A 19 -2.744 -8.235 -4.794 1.00 14.31 C ATOM 282 CG ARG A 19 -2.196 -8.185 -6.218 1.00 24.32 C ATOM 283 CD ARG A 19 -1.992 -9.584 -6.796 1.00 11.11 C ATOM 284 NE ARG A 19 -1.606 -9.537 -8.205 1.00 30.22 N ATOM 285 CZ ARG A 19 -1.593 -10.568 -9.006 1.00 50.34 C ATOM 286 NH1 ARG A 19 -1.879 -11.752 -8.573 1.00 53.35 N ATOM 287 NH2 ARG A 19 -1.281 -10.408 -10.249 1.00 70.51 N ATOM 0 H ARG A 19 -1.039 -6.623 -3.608 1.00 33.33 H new ATOM 0 HA ARG A 19 -3.690 -6.295 -4.877 1.00 51.14 H new ATOM 0 HB2 ARG A 19 -2.023 -8.746 -4.155 1.00 14.31 H new ATOM 0 HB3 ARG A 19 -3.656 -8.832 -4.787 1.00 14.31 H new ATOM 0 HG2 ARG A 19 -2.884 -7.626 -6.853 1.00 24.32 H new ATOM 0 HG3 ARG A 19 -1.248 -7.647 -6.224 1.00 24.32 H new ATOM 0 HD2 ARG A 19 -1.223 -10.105 -6.225 1.00 11.11 H new ATOM 0 HD3 ARG A 19 -2.912 -10.159 -6.690 1.00 11.11 H new ATOM 0 HE ARG A 19 -1.327 -8.635 -8.590 1.00 30.22 H new ATOM 0 HH11 ARG A 19 -2.120 -11.892 -7.592 1.00 53.35 H new ATOM 0 HH12 ARG A 19 -1.864 -12.546 -9.213 1.00 53.35 H new ATOM 0 HH21 ARG A 19 -1.046 -9.480 -10.600 1.00 70.51 H new ATOM 0 HH22 ARG A 19 -1.269 -11.210 -10.879 1.00 70.51 H new ATOM 301 N LEU A 20 -5.114 -6.717 -2.891 1.00 70.41 N ATOM 302 CA LEU A 20 -5.971 -6.852 -1.700 1.00 51.52 C ATOM 303 C LEU A 20 -7.297 -7.549 -2.057 1.00 43.03 C ATOM 304 O LEU A 20 -7.765 -7.462 -3.191 1.00 11.41 O ATOM 305 CB LEU A 20 -6.246 -5.467 -1.087 1.00 61.44 C ATOM 306 CG LEU A 20 -7.046 -5.467 0.230 1.00 23.33 C ATOM 307 CD1 LEU A 20 -6.292 -6.225 1.323 1.00 50.32 C ATOM 308 CD2 LEU A 20 -7.351 -4.039 0.678 1.00 1.41 C ATOM 0 H LEU A 20 -5.604 -6.384 -3.721 1.00 70.41 H new ATOM 0 HA LEU A 20 -5.448 -7.467 -0.967 1.00 51.52 H new ATOM 0 HB2 LEU A 20 -5.291 -4.972 -0.911 1.00 61.44 H new ATOM 0 HB3 LEU A 20 -6.786 -4.867 -1.819 1.00 61.44 H new ATOM 0 HG LEU A 20 -7.992 -5.978 0.051 1.00 23.33 H new ATOM 0 HD11 LEU A 20 -6.876 -6.212 2.244 1.00 50.32 H new ATOM 0 HD12 LEU A 20 -6.134 -7.256 1.008 1.00 50.32 H new ATOM 0 HD13 LEU A 20 -5.328 -5.748 1.498 1.00 50.32 H new ATOM 0 HD21 LEU A 20 -7.916 -4.063 1.610 1.00 1.41 H new ATOM 0 HD22 LEU A 20 -6.417 -3.499 0.834 1.00 1.41 H new ATOM 0 HD23 LEU A 20 -7.938 -3.534 -0.090 1.00 1.41 H new ATOM 320 N TYR A 21 -7.902 -8.240 -1.089 1.00 64.30 N ATOM 321 CA TYR A 21 -9.128 -9.011 -1.339 1.00 53.45 C ATOM 322 C TYR A 21 -10.329 -8.112 -1.692 1.00 44.11 C ATOM 323 O TYR A 21 -10.482 -7.013 -1.155 1.00 72.45 O ATOM 324 CB TYR A 21 -9.450 -9.892 -0.127 1.00 74.41 C ATOM 325 CG TYR A 21 -8.464 -11.033 0.058 1.00 73.20 C ATOM 326 CD1 TYR A 21 -8.676 -12.261 -0.561 1.00 72.14 C ATOM 327 CD2 TYR A 21 -7.320 -10.880 0.836 1.00 65.25 C ATOM 328 CE1 TYR A 21 -7.779 -13.298 -0.408 1.00 3.02 C ATOM 329 CE2 TYR A 21 -6.418 -11.915 0.991 1.00 23.34 C ATOM 330 CZ TYR A 21 -6.654 -13.121 0.369 1.00 0.54 C ATOM 331 OH TYR A 21 -5.757 -14.154 0.512 1.00 52.13 O ATOM 0 H TYR A 21 -7.567 -8.284 -0.127 1.00 64.30 H new ATOM 0 HA TYR A 21 -8.944 -9.644 -2.207 1.00 53.45 H new ATOM 0 HB2 TYR A 21 -9.456 -9.275 0.772 1.00 74.41 H new ATOM 0 HB3 TYR A 21 -10.454 -10.302 -0.239 1.00 74.41 H new ATOM 0 HD1 TYR A 21 -9.556 -12.405 -1.170 1.00 72.14 H new ATOM 0 HD2 TYR A 21 -7.134 -9.936 1.327 1.00 65.25 H new ATOM 0 HE1 TYR A 21 -7.957 -14.245 -0.895 1.00 3.02 H new ATOM 0 HE2 TYR A 21 -5.534 -11.779 1.596 1.00 23.34 H new ATOM 0 HH TYR A 21 -5.018 -13.868 1.089 1.00 52.13 H new ATOM 341 N PRO A 22 -11.216 -8.592 -2.592 1.00 70.21 N ATOM 342 CA PRO A 22 -12.337 -7.793 -3.120 1.00 22.52 C ATOM 343 C PRO A 22 -13.314 -7.325 -2.034 1.00 72.44 C ATOM 344 O PRO A 22 -13.769 -6.181 -2.045 1.00 25.10 O ATOM 345 CB PRO A 22 -13.044 -8.751 -4.095 1.00 63.50 C ATOM 346 CG PRO A 22 -12.044 -9.816 -4.395 1.00 35.21 C ATOM 347 CD PRO A 22 -11.208 -9.956 -3.155 1.00 64.34 C ATOM 0 HA PRO A 22 -11.978 -6.874 -3.583 1.00 22.52 H new ATOM 0 HB2 PRO A 22 -13.945 -9.172 -3.649 1.00 63.50 H new ATOM 0 HB3 PRO A 22 -13.351 -8.232 -5.003 1.00 63.50 H new ATOM 0 HG2 PRO A 22 -12.537 -10.756 -4.642 1.00 35.21 H new ATOM 0 HG3 PRO A 22 -11.429 -9.544 -5.252 1.00 35.21 H new ATOM 0 HD2 PRO A 22 -11.634 -10.681 -2.461 1.00 64.34 H new ATOM 0 HD3 PRO A 22 -10.197 -10.291 -3.386 1.00 64.34 H new ATOM 355 N ASP A 23 -13.639 -8.225 -1.105 1.00 35.10 N ATOM 356 CA ASP A 23 -14.543 -7.911 0.006 1.00 33.03 C ATOM 357 C ASP A 23 -13.982 -6.785 0.892 1.00 35.32 C ATOM 358 O ASP A 23 -14.716 -5.892 1.318 1.00 54.14 O ATOM 359 CB ASP A 23 -14.798 -9.173 0.836 1.00 5.53 C ATOM 360 CG ASP A 23 -15.414 -10.283 0.000 1.00 2.23 C ATOM 361 OD1 ASP A 23 -14.668 -10.957 -0.743 1.00 72.00 O ATOM 362 OD2 ASP A 23 -16.645 -10.477 0.067 1.00 74.51 O ATOM 0 H ASP A 23 -13.288 -9.183 -1.099 1.00 35.10 H new ATOM 0 HA ASP A 23 -15.486 -7.557 -0.411 1.00 33.03 H new ATOM 0 HB2 ASP A 23 -13.859 -9.521 1.267 1.00 5.53 H new ATOM 0 HB3 ASP A 23 -15.461 -8.934 1.667 1.00 5.53 H new ATOM 367 N GLU A 24 -12.676 -6.822 1.156 1.00 63.43 N ATOM 368 CA GLU A 24 -12.018 -5.764 1.932 1.00 54.11 C ATOM 369 C GLU A 24 -12.097 -4.420 1.196 1.00 74.01 C ATOM 370 O GLU A 24 -12.461 -3.399 1.781 1.00 41.34 O ATOM 371 CB GLU A 24 -10.557 -6.133 2.212 1.00 11.15 C ATOM 372 CG GLU A 24 -10.403 -7.393 3.058 1.00 14.40 C ATOM 373 CD GLU A 24 -8.953 -7.727 3.360 1.00 12.45 C ATOM 374 OE1 GLU A 24 -8.404 -7.164 4.329 1.00 42.11 O ATOM 375 OE2 GLU A 24 -8.369 -8.561 2.636 1.00 65.22 O ATOM 0 H GLU A 24 -12.053 -7.568 0.847 1.00 63.43 H new ATOM 0 HA GLU A 24 -12.541 -5.665 2.883 1.00 54.11 H new ATOM 0 HB2 GLU A 24 -10.038 -6.275 1.264 1.00 11.15 H new ATOM 0 HB3 GLU A 24 -10.071 -5.301 2.721 1.00 11.15 H new ATOM 0 HG2 GLU A 24 -10.944 -7.264 3.995 1.00 14.40 H new ATOM 0 HG3 GLU A 24 -10.863 -8.233 2.538 1.00 14.40 H new ATOM 382 N ILE A 25 -11.768 -4.434 -0.096 1.00 72.23 N ATOM 383 CA ILE A 25 -11.893 -3.242 -0.944 1.00 61.51 C ATOM 384 C ILE A 25 -13.364 -2.788 -1.056 1.00 35.52 C ATOM 385 O ILE A 25 -13.656 -1.596 -1.179 1.00 61.43 O ATOM 386 CB ILE A 25 -11.313 -3.506 -2.361 1.00 41.13 C ATOM 387 CG1 ILE A 25 -9.833 -3.921 -2.255 1.00 13.03 C ATOM 388 CG2 ILE A 25 -11.468 -2.276 -3.259 1.00 22.51 C ATOM 389 CD1 ILE A 25 -9.184 -4.242 -3.585 1.00 50.20 C ATOM 0 H ILE A 25 -11.412 -5.258 -0.581 1.00 72.23 H new ATOM 0 HA ILE A 25 -11.319 -2.444 -0.472 1.00 61.51 H new ATOM 0 HB ILE A 25 -11.875 -4.321 -2.817 1.00 41.13 H new ATOM 0 HG12 ILE A 25 -9.275 -3.117 -1.775 1.00 13.03 H new ATOM 0 HG13 ILE A 25 -9.757 -4.793 -1.606 1.00 13.03 H new ATOM 0 HG21 ILE A 25 -11.053 -2.490 -4.244 1.00 22.51 H new ATOM 0 HG22 ILE A 25 -12.525 -2.027 -3.356 1.00 22.51 H new ATOM 0 HG23 ILE A 25 -10.936 -1.433 -2.817 1.00 22.51 H new ATOM 0 HD11 ILE A 25 -8.144 -4.525 -3.423 1.00 50.20 H new ATOM 0 HD12 ILE A 25 -9.715 -5.067 -4.059 1.00 50.20 H new ATOM 0 HD13 ILE A 25 -9.225 -3.365 -4.231 1.00 50.20 H new ATOM 401 N GLU A 26 -14.282 -3.749 -0.984 1.00 51.12 N ATOM 402 CA GLU A 26 -15.721 -3.469 -1.041 1.00 61.31 C ATOM 403 C GLU A 26 -16.201 -2.733 0.222 1.00 73.42 C ATOM 404 O GLU A 26 -17.020 -1.814 0.145 1.00 30.03 O ATOM 405 CB GLU A 26 -16.499 -4.776 -1.237 1.00 41.53 C ATOM 406 CG GLU A 26 -18.015 -4.610 -1.225 1.00 33.02 C ATOM 407 CD GLU A 26 -18.744 -5.870 -1.667 1.00 42.21 C ATOM 408 OE1 GLU A 26 -18.752 -6.860 -0.909 1.00 11.14 O ATOM 409 OE2 GLU A 26 -19.308 -5.875 -2.783 1.00 1.31 O ATOM 0 H GLU A 26 -14.055 -4.739 -0.885 1.00 51.12 H new ATOM 0 HA GLU A 26 -15.909 -2.813 -1.891 1.00 61.31 H new ATOM 0 HB2 GLU A 26 -16.201 -5.224 -2.185 1.00 41.53 H new ATOM 0 HB3 GLU A 26 -16.215 -5.476 -0.451 1.00 41.53 H new ATOM 0 HG2 GLU A 26 -18.340 -4.340 -0.220 1.00 33.02 H new ATOM 0 HG3 GLU A 26 -18.292 -3.785 -1.881 1.00 33.02 H new ATOM 416 N ALA A 27 -15.690 -3.142 1.380 1.00 41.52 N ATOM 417 CA ALA A 27 -15.951 -2.422 2.632 1.00 70.34 C ATOM 418 C ALA A 27 -15.189 -1.087 2.661 1.00 0.11 C ATOM 419 O ALA A 27 -15.651 -0.099 3.235 1.00 52.25 O ATOM 420 CB ALA A 27 -15.564 -3.283 3.831 1.00 15.25 C ATOM 0 H ALA A 27 -15.095 -3.964 1.482 1.00 41.52 H new ATOM 0 HA ALA A 27 -17.018 -2.207 2.688 1.00 70.34 H new ATOM 0 HB1 ALA A 27 -15.763 -2.735 4.752 1.00 15.25 H new ATOM 0 HB2 ALA A 27 -16.149 -4.203 3.822 1.00 15.25 H new ATOM 0 HB3 ALA A 27 -14.503 -3.527 3.777 1.00 15.25 H new ATOM 426 N LEU A 28 -14.017 -1.073 2.029 1.00 72.51 N ATOM 427 CA LEU A 28 -13.180 0.126 1.945 1.00 23.15 C ATOM 428 C LEU A 28 -13.908 1.281 1.234 1.00 11.20 C ATOM 429 O LEU A 28 -14.008 2.386 1.767 1.00 23.23 O ATOM 430 CB LEU A 28 -11.876 -0.200 1.205 1.00 53.11 C ATOM 431 CG LEU A 28 -10.861 0.950 1.121 1.00 55.21 C ATOM 432 CD1 LEU A 28 -10.348 1.318 2.510 1.00 61.41 C ATOM 433 CD2 LEU A 28 -9.709 0.587 0.186 1.00 13.50 C ATOM 0 H LEU A 28 -13.620 -1.888 1.562 1.00 72.51 H new ATOM 0 HA LEU A 28 -12.957 0.448 2.962 1.00 23.15 H new ATOM 0 HB2 LEU A 28 -11.400 -1.047 1.699 1.00 53.11 H new ATOM 0 HB3 LEU A 28 -12.123 -0.519 0.192 1.00 53.11 H new ATOM 0 HG LEU A 28 -11.365 1.824 0.707 1.00 55.21 H new ATOM 0 HD11 LEU A 28 -9.630 2.134 2.428 1.00 61.41 H new ATOM 0 HD12 LEU A 28 -11.184 1.631 3.136 1.00 61.41 H new ATOM 0 HD13 LEU A 28 -9.863 0.452 2.960 1.00 61.41 H new ATOM 0 HD21 LEU A 28 -9.002 1.415 0.141 1.00 13.50 H new ATOM 0 HD22 LEU A 28 -9.203 -0.302 0.561 1.00 13.50 H new ATOM 0 HD23 LEU A 28 -10.099 0.389 -0.812 1.00 13.50 H new ATOM 445 N LYS A 29 -14.435 1.011 0.039 1.00 74.04 N ATOM 446 CA LYS A 29 -15.095 2.045 -0.778 1.00 23.14 C ATOM 447 C LYS A 29 -16.280 2.718 -0.052 1.00 43.00 C ATOM 448 O LYS A 29 -16.770 3.760 -0.492 1.00 20.51 O ATOM 449 CB LYS A 29 -15.569 1.452 -2.112 1.00 13.03 C ATOM 450 CG LYS A 29 -16.538 0.284 -1.963 1.00 3.41 C ATOM 451 CD LYS A 29 -17.044 -0.210 -3.316 1.00 44.50 C ATOM 452 CE LYS A 29 -17.948 -1.433 -3.179 1.00 22.54 C ATOM 453 NZ LYS A 29 -19.170 -1.153 -2.380 1.00 52.53 N ATOM 0 H LYS A 29 -14.420 0.086 -0.390 1.00 74.04 H new ATOM 0 HA LYS A 29 -14.349 2.819 -0.962 1.00 23.14 H new ATOM 0 HB2 LYS A 29 -16.049 2.237 -2.696 1.00 13.03 H new ATOM 0 HB3 LYS A 29 -14.700 1.119 -2.679 1.00 13.03 H new ATOM 0 HG2 LYS A 29 -16.043 -0.534 -1.439 1.00 3.41 H new ATOM 0 HG3 LYS A 29 -17.384 0.590 -1.348 1.00 3.41 H new ATOM 0 HD2 LYS A 29 -17.591 0.591 -3.812 1.00 44.50 H new ATOM 0 HD3 LYS A 29 -16.194 -0.457 -3.952 1.00 44.50 H new ATOM 0 HE2 LYS A 29 -18.238 -1.779 -4.171 1.00 22.54 H new ATOM 0 HE3 LYS A 29 -17.389 -2.243 -2.710 1.00 22.54 H new ATOM 0 HZ1 LYS A 29 -19.804 -1.976 -2.416 1.00 52.53 H new ATOM 0 HZ2 LYS A 29 -18.903 -0.964 -1.393 1.00 52.53 H new ATOM 0 HZ3 LYS A 29 -19.658 -0.322 -2.772 1.00 52.53 H new ATOM 467 N SER A 30 -16.738 2.123 1.048 1.00 45.03 N ATOM 468 CA SER A 30 -17.816 2.714 1.859 1.00 72.31 C ATOM 469 C SER A 30 -17.260 3.700 2.900 1.00 14.32 C ATOM 470 O SER A 30 -17.901 4.700 3.233 1.00 25.42 O ATOM 471 CB SER A 30 -18.612 1.613 2.577 1.00 12.13 C ATOM 472 OG SER A 30 -19.671 2.158 3.349 1.00 24.12 O ATOM 0 H SER A 30 -16.385 1.234 1.402 1.00 45.03 H new ATOM 0 HA SER A 30 -18.473 3.258 1.181 1.00 72.31 H new ATOM 0 HB2 SER A 30 -19.016 0.917 1.842 1.00 12.13 H new ATOM 0 HB3 SER A 30 -17.945 1.043 3.223 1.00 12.13 H new ATOM 0 HG SER A 30 -20.159 1.433 3.792 1.00 24.12 H new ATOM 478 N ARG A 31 -16.053 3.423 3.400 1.00 74.43 N ATOM 479 CA ARG A 31 -15.447 4.224 4.475 1.00 23.31 C ATOM 480 C ARG A 31 -14.429 5.252 3.947 1.00 45.01 C ATOM 481 O ARG A 31 -13.762 5.929 4.732 1.00 31.52 O ATOM 482 CB ARG A 31 -14.767 3.296 5.494 1.00 60.52 C ATOM 483 CG ARG A 31 -13.736 2.357 4.873 1.00 25.43 C ATOM 484 CD ARG A 31 -13.043 1.491 5.920 1.00 64.45 C ATOM 485 NE ARG A 31 -12.212 2.279 6.824 1.00 1.12 N ATOM 486 CZ ARG A 31 -11.665 1.809 7.913 1.00 4.32 C ATOM 487 NH1 ARG A 31 -11.876 0.588 8.282 1.00 3.13 N ATOM 488 NH2 ARG A 31 -10.912 2.565 8.638 1.00 21.30 N ATOM 0 H ARG A 31 -15.472 2.649 3.079 1.00 74.43 H new ATOM 0 HA ARG A 31 -16.252 4.783 4.953 1.00 23.31 H new ATOM 0 HB2 ARG A 31 -14.280 3.903 6.257 1.00 60.52 H new ATOM 0 HB3 ARG A 31 -15.530 2.702 5.998 1.00 60.52 H new ATOM 0 HG2 ARG A 31 -14.226 1.716 4.140 1.00 25.43 H new ATOM 0 HG3 ARG A 31 -12.990 2.943 4.336 1.00 25.43 H new ATOM 0 HD2 ARG A 31 -13.794 0.951 6.497 1.00 64.45 H new ATOM 0 HD3 ARG A 31 -12.426 0.744 5.421 1.00 64.45 H new ATOM 0 HE ARG A 31 -12.048 3.258 6.591 1.00 1.12 H new ATOM 0 HH11 ARG A 31 -12.474 -0.018 7.721 1.00 3.13 H new ATOM 0 HH12 ARG A 31 -11.444 0.231 9.134 1.00 3.13 H new ATOM 0 HH21 ARG A 31 -10.743 3.532 8.361 1.00 21.30 H new ATOM 0 HH22 ARG A 31 -10.486 2.196 9.488 1.00 21.30 H new ATOM 502 N VAL A 32 -14.302 5.367 2.626 1.00 43.31 N ATOM 503 CA VAL A 32 -13.380 6.345 2.028 1.00 22.13 C ATOM 504 C VAL A 32 -14.068 7.702 1.777 1.00 32.13 C ATOM 505 O VAL A 32 -15.264 7.757 1.474 1.00 53.01 O ATOM 506 CB VAL A 32 -12.770 5.835 0.694 1.00 24.14 C ATOM 507 CG1 VAL A 32 -11.903 4.602 0.928 1.00 64.12 C ATOM 508 CG2 VAL A 32 -13.860 5.545 -0.334 1.00 42.31 C ATOM 0 H VAL A 32 -14.818 4.803 1.951 1.00 43.31 H new ATOM 0 HA VAL A 32 -12.578 6.479 2.754 1.00 22.13 H new ATOM 0 HB VAL A 32 -12.135 6.625 0.294 1.00 24.14 H new ATOM 0 HG11 VAL A 32 -11.487 4.264 -0.021 1.00 64.12 H new ATOM 0 HG12 VAL A 32 -11.091 4.852 1.611 1.00 64.12 H new ATOM 0 HG13 VAL A 32 -12.510 3.807 1.362 1.00 64.12 H new ATOM 0 HG21 VAL A 32 -13.404 5.190 -1.258 1.00 42.31 H new ATOM 0 HG22 VAL A 32 -14.533 4.781 0.055 1.00 42.31 H new ATOM 0 HG23 VAL A 32 -14.423 6.457 -0.535 1.00 42.31 H new ATOM 518 N PRO A 33 -13.327 8.818 1.934 1.00 25.50 N ATOM 519 CA PRO A 33 -13.839 10.167 1.619 1.00 21.43 C ATOM 520 C PRO A 33 -14.189 10.329 0.126 1.00 11.41 C ATOM 521 O PRO A 33 -13.522 9.766 -0.741 1.00 3.11 O ATOM 522 CB PRO A 33 -12.670 11.094 2.007 1.00 71.24 C ATOM 523 CG PRO A 33 -11.826 10.285 2.936 1.00 23.31 C ATOM 524 CD PRO A 33 -11.950 8.864 2.461 1.00 5.31 C ATOM 0 HA PRO A 33 -14.765 10.385 2.150 1.00 21.43 H new ATOM 0 HB2 PRO A 33 -12.104 11.404 1.129 1.00 71.24 H new ATOM 0 HB3 PRO A 33 -13.030 12.002 2.491 1.00 71.24 H new ATOM 0 HG2 PRO A 33 -10.788 10.617 2.912 1.00 23.31 H new ATOM 0 HG3 PRO A 33 -12.169 10.386 3.966 1.00 23.31 H new ATOM 0 HD2 PRO A 33 -11.214 8.628 1.692 1.00 5.31 H new ATOM 0 HD3 PRO A 33 -11.803 8.151 3.273 1.00 5.31 H new ATOM 532 N ALA A 34 -15.222 11.123 -0.165 1.00 33.12 N ATOM 533 CA ALA A 34 -15.700 11.311 -1.545 1.00 35.41 C ATOM 534 C ALA A 34 -14.582 11.766 -2.504 1.00 22.21 C ATOM 535 O ALA A 34 -14.563 11.382 -3.674 1.00 42.12 O ATOM 536 CB ALA A 34 -16.854 12.308 -1.569 1.00 53.21 C ATOM 0 H ALA A 34 -15.747 11.648 0.534 1.00 33.12 H new ATOM 0 HA ALA A 34 -16.047 10.340 -1.899 1.00 35.41 H new ATOM 0 HB1 ALA A 34 -17.200 12.440 -2.594 1.00 53.21 H new ATOM 0 HB2 ALA A 34 -17.673 11.932 -0.955 1.00 53.21 H new ATOM 0 HB3 ALA A 34 -16.515 13.266 -1.175 1.00 53.21 H new ATOM 542 N ASN A 35 -13.653 12.583 -2.008 1.00 52.44 N ATOM 543 CA ASN A 35 -12.544 13.086 -2.839 1.00 12.42 C ATOM 544 C ASN A 35 -11.423 12.037 -2.993 1.00 3.15 C ATOM 545 O ASN A 35 -10.705 12.017 -3.997 1.00 73.34 O ATOM 546 CB ASN A 35 -11.960 14.377 -2.239 1.00 12.41 C ATOM 547 CG ASN A 35 -13.006 15.454 -2.025 1.00 41.11 C ATOM 548 OD1 ASN A 35 -13.355 16.193 -2.938 1.00 63.42 O ATOM 549 ND2 ASN A 35 -13.498 15.575 -0.813 1.00 72.13 N ATOM 0 H ASN A 35 -13.640 12.912 -1.043 1.00 52.44 H new ATOM 0 HA ASN A 35 -12.953 13.297 -3.827 1.00 12.42 H new ATOM 0 HB2 ASN A 35 -11.484 14.146 -1.286 1.00 12.41 H new ATOM 0 HB3 ASN A 35 -11.182 14.759 -2.900 1.00 12.41 H new ATOM 0 HD21 ASN A 35 -14.189 16.298 -0.613 1.00 72.13 H new ATOM 0 HD22 ASN A 35 -13.189 14.946 -0.072 1.00 72.13 H new ATOM 556 N THR A 36 -11.288 11.158 -2.005 1.00 12.31 N ATOM 557 CA THR A 36 -10.180 10.191 -1.963 1.00 32.01 C ATOM 558 C THR A 36 -10.546 8.860 -2.640 1.00 13.35 C ATOM 559 O THR A 36 -11.543 8.229 -2.296 1.00 72.02 O ATOM 560 CB THR A 36 -9.747 9.905 -0.503 1.00 22.31 C ATOM 561 OG1 THR A 36 -9.422 11.133 0.169 1.00 44.43 O ATOM 562 CG2 THR A 36 -8.542 8.970 -0.452 1.00 34.53 C ATOM 0 H THR A 36 -11.931 11.090 -1.217 1.00 12.31 H new ATOM 0 HA THR A 36 -9.355 10.646 -2.511 1.00 32.01 H new ATOM 0 HB THR A 36 -10.584 9.420 -0.001 1.00 22.31 H new ATOM 0 HG1 THR A 36 -9.152 10.940 1.091 1.00 44.43 H new ATOM 0 HG21 THR A 36 -8.265 8.790 0.587 1.00 34.53 H new ATOM 0 HG22 THR A 36 -8.796 8.023 -0.929 1.00 34.53 H new ATOM 0 HG23 THR A 36 -7.704 9.428 -0.977 1.00 34.53 H new ATOM 570 N SER A 37 -9.727 8.431 -3.600 1.00 64.42 N ATOM 571 CA SER A 37 -9.943 7.153 -4.298 1.00 14.32 C ATOM 572 C SER A 37 -9.343 5.977 -3.512 1.00 65.43 C ATOM 573 O SER A 37 -8.657 6.175 -2.507 1.00 3.00 O ATOM 574 CB SER A 37 -9.323 7.201 -5.699 1.00 62.04 C ATOM 575 OG SER A 37 -7.925 7.440 -5.636 1.00 42.03 O ATOM 0 H SER A 37 -8.906 8.947 -3.916 1.00 64.42 H new ATOM 0 HA SER A 37 -11.019 7.000 -4.380 1.00 14.32 H new ATOM 0 HB2 SER A 37 -9.510 6.259 -6.214 1.00 62.04 H new ATOM 0 HB3 SER A 37 -9.802 7.986 -6.285 1.00 62.04 H new ATOM 0 HG SER A 37 -7.556 7.464 -6.544 1.00 42.03 H new ATOM 581 N MET A 38 -9.591 4.752 -3.982 1.00 21.24 N ATOM 582 CA MET A 38 -9.078 3.543 -3.319 1.00 24.12 C ATOM 583 C MET A 38 -7.544 3.571 -3.193 1.00 3.03 C ATOM 584 O MET A 38 -7.005 3.513 -2.088 1.00 71.54 O ATOM 585 CB MET A 38 -9.517 2.283 -4.083 1.00 61.22 C ATOM 586 CG MET A 38 -11.027 2.064 -4.102 1.00 2.33 C ATOM 587 SD MET A 38 -11.500 0.618 -5.074 1.00 63.44 S ATOM 588 CE MET A 38 -13.283 0.647 -4.895 1.00 14.55 C ATOM 0 H MET A 38 -10.144 4.568 -4.819 1.00 21.24 H new ATOM 0 HA MET A 38 -9.499 3.519 -2.314 1.00 24.12 H new ATOM 0 HB2 MET A 38 -9.157 2.349 -5.110 1.00 61.22 H new ATOM 0 HB3 MET A 38 -9.039 1.413 -3.633 1.00 61.22 H new ATOM 0 HG2 MET A 38 -11.387 1.945 -3.080 1.00 2.33 H new ATOM 0 HG3 MET A 38 -11.515 2.949 -4.511 1.00 2.33 H new ATOM 0 HE1 MET A 38 -13.749 0.421 -5.854 1.00 14.55 H new ATOM 0 HE2 MET A 38 -13.587 -0.098 -4.159 1.00 14.55 H new ATOM 0 HE3 MET A 38 -13.599 1.636 -4.562 1.00 14.55 H new ATOM 598 N SER A 39 -6.852 3.665 -4.330 1.00 24.21 N ATOM 599 CA SER A 39 -5.381 3.706 -4.350 1.00 74.42 C ATOM 600 C SER A 39 -4.833 4.851 -3.490 1.00 10.11 C ATOM 601 O SER A 39 -3.878 4.674 -2.728 1.00 62.41 O ATOM 602 CB SER A 39 -4.873 3.860 -5.791 1.00 33.02 C ATOM 603 OG SER A 39 -5.375 5.046 -6.391 1.00 13.12 O ATOM 0 H SER A 39 -7.284 3.714 -5.253 1.00 24.21 H new ATOM 0 HA SER A 39 -5.023 2.765 -3.932 1.00 74.42 H new ATOM 0 HB2 SER A 39 -3.783 3.881 -5.794 1.00 33.02 H new ATOM 0 HB3 SER A 39 -5.177 2.995 -6.380 1.00 33.02 H new ATOM 0 HG SER A 39 -5.034 5.119 -7.307 1.00 13.12 H new ATOM 609 N ALA A 40 -5.446 6.026 -3.615 1.00 14.42 N ATOM 610 CA ALA A 40 -5.054 7.196 -2.824 1.00 14.33 C ATOM 611 C ALA A 40 -5.184 6.937 -1.312 1.00 33.44 C ATOM 612 O ALA A 40 -4.335 7.360 -0.522 1.00 51.12 O ATOM 613 CB ALA A 40 -5.891 8.402 -3.230 1.00 74.14 C ATOM 0 H ALA A 40 -6.219 6.196 -4.258 1.00 14.42 H new ATOM 0 HA ALA A 40 -4.003 7.400 -3.029 1.00 14.33 H new ATOM 0 HB1 ALA A 40 -5.594 9.267 -2.638 1.00 74.14 H new ATOM 0 HB2 ALA A 40 -5.734 8.615 -4.287 1.00 74.14 H new ATOM 0 HB3 ALA A 40 -6.946 8.188 -3.056 1.00 74.14 H new ATOM 619 N TYR A 41 -6.247 6.235 -0.913 1.00 11.42 N ATOM 620 CA TYR A 41 -6.477 5.924 0.503 1.00 41.04 C ATOM 621 C TYR A 41 -5.482 4.863 1.010 1.00 25.42 C ATOM 622 O TYR A 41 -4.928 4.993 2.103 1.00 2.53 O ATOM 623 CB TYR A 41 -7.922 5.447 0.725 1.00 4.34 C ATOM 624 CG TYR A 41 -8.280 5.267 2.190 1.00 2.14 C ATOM 625 CD1 TYR A 41 -8.796 6.322 2.937 1.00 52.51 C ATOM 626 CD2 TYR A 41 -8.092 4.046 2.830 1.00 35.54 C ATOM 627 CE1 TYR A 41 -9.113 6.164 4.272 1.00 4.32 C ATOM 628 CE2 TYR A 41 -8.405 3.884 4.165 1.00 3.44 C ATOM 629 CZ TYR A 41 -8.914 4.944 4.880 1.00 14.21 C ATOM 630 OH TYR A 41 -9.220 4.785 6.213 1.00 73.35 O ATOM 0 H TYR A 41 -6.960 5.872 -1.546 1.00 11.42 H new ATOM 0 HA TYR A 41 -6.318 6.839 1.074 1.00 41.04 H new ATOM 0 HB2 TYR A 41 -8.607 6.167 0.277 1.00 4.34 H new ATOM 0 HB3 TYR A 41 -8.068 4.501 0.204 1.00 4.34 H new ATOM 0 HD1 TYR A 41 -8.951 7.281 2.465 1.00 52.51 H new ATOM 0 HD2 TYR A 41 -7.694 3.211 2.273 1.00 35.54 H new ATOM 0 HE1 TYR A 41 -9.515 6.993 4.836 1.00 4.32 H new ATOM 0 HE2 TYR A 41 -8.251 2.929 4.646 1.00 3.44 H new ATOM 0 HH TYR A 41 -9.022 3.865 6.487 1.00 73.35 H new ATOM 640 N ILE A 42 -5.259 3.816 0.213 1.00 61.22 N ATOM 641 CA ILE A 42 -4.302 2.761 0.574 1.00 11.42 C ATOM 642 C ILE A 42 -2.913 3.350 0.874 1.00 52.44 C ATOM 643 O ILE A 42 -2.174 2.836 1.719 1.00 30.32 O ATOM 644 CB ILE A 42 -4.178 1.694 -0.549 1.00 61.30 C ATOM 645 CG1 ILE A 42 -5.531 1.005 -0.799 1.00 62.40 C ATOM 646 CG2 ILE A 42 -3.104 0.658 -0.204 1.00 14.52 C ATOM 647 CD1 ILE A 42 -6.065 0.242 0.398 1.00 75.24 C ATOM 0 H ILE A 42 -5.724 3.674 -0.683 1.00 61.22 H new ATOM 0 HA ILE A 42 -4.687 2.280 1.473 1.00 11.42 H new ATOM 0 HB ILE A 42 -3.878 2.204 -1.464 1.00 61.30 H new ATOM 0 HG12 ILE A 42 -6.262 1.758 -1.092 1.00 62.40 H new ATOM 0 HG13 ILE A 42 -5.427 0.317 -1.638 1.00 62.40 H new ATOM 0 HG21 ILE A 42 -3.037 -0.077 -1.006 1.00 14.52 H new ATOM 0 HG22 ILE A 42 -2.142 1.157 -0.087 1.00 14.52 H new ATOM 0 HG23 ILE A 42 -3.368 0.157 0.727 1.00 14.52 H new ATOM 0 HD11 ILE A 42 -7.021 -0.215 0.142 1.00 75.24 H new ATOM 0 HD12 ILE A 42 -5.355 -0.536 0.680 1.00 75.24 H new ATOM 0 HD13 ILE A 42 -6.203 0.927 1.234 1.00 75.24 H new ATOM 659 N ARG A 43 -2.580 4.450 0.193 1.00 34.24 N ATOM 660 CA ARG A 43 -1.294 5.126 0.388 1.00 51.32 C ATOM 661 C ARG A 43 -1.058 5.488 1.863 1.00 55.13 C ATOM 662 O ARG A 43 0.017 5.242 2.398 1.00 53.23 O ATOM 663 CB ARG A 43 -1.209 6.400 -0.468 1.00 24.04 C ATOM 664 CG ARG A 43 0.194 7.006 -0.519 1.00 1.23 C ATOM 665 CD ARG A 43 0.202 8.396 -1.149 1.00 23.44 C ATOM 666 NE ARG A 43 -0.445 9.387 -0.288 1.00 31.32 N ATOM 667 CZ ARG A 43 -0.521 10.661 -0.559 1.00 74.14 C ATOM 668 NH1 ARG A 43 -0.031 11.134 -1.659 1.00 13.50 N ATOM 669 NH2 ARG A 43 -1.088 11.469 0.273 1.00 51.23 N ATOM 0 H ARG A 43 -3.184 4.892 -0.500 1.00 34.24 H new ATOM 0 HA ARG A 43 -0.519 4.427 0.075 1.00 51.32 H new ATOM 0 HB2 ARG A 43 -1.534 6.169 -1.483 1.00 24.04 H new ATOM 0 HB3 ARG A 43 -1.903 7.142 -0.072 1.00 24.04 H new ATOM 0 HG2 ARG A 43 0.599 7.065 0.491 1.00 1.23 H new ATOM 0 HG3 ARG A 43 0.851 6.348 -1.088 1.00 1.23 H new ATOM 0 HD2 ARG A 43 1.230 8.700 -1.345 1.00 23.44 H new ATOM 0 HD3 ARG A 43 -0.309 8.362 -2.111 1.00 23.44 H new ATOM 0 HE ARG A 43 -0.865 9.060 0.582 1.00 31.32 H new ATOM 0 HH11 ARG A 43 0.421 10.509 -2.326 1.00 13.50 H new ATOM 0 HH12 ARG A 43 -0.097 12.132 -1.859 1.00 13.50 H new ATOM 0 HH21 ARG A 43 -1.478 11.112 1.145 1.00 51.23 H new ATOM 0 HH22 ARG A 43 -1.146 12.464 0.058 1.00 51.23 H new ATOM 683 N ARG A 44 -2.068 6.068 2.520 1.00 61.41 N ATOM 684 CA ARG A 44 -1.908 6.509 3.916 1.00 20.42 C ATOM 685 C ARG A 44 -1.788 5.311 4.874 1.00 51.50 C ATOM 686 O ARG A 44 -1.085 5.379 5.882 1.00 10.23 O ATOM 687 CB ARG A 44 -3.072 7.422 4.350 1.00 34.24 C ATOM 688 CG ARG A 44 -4.402 6.699 4.566 1.00 24.24 C ATOM 689 CD ARG A 44 -5.467 7.626 5.147 1.00 42.11 C ATOM 690 NE ARG A 44 -5.012 8.287 6.370 1.00 1.25 N ATOM 691 CZ ARG A 44 -4.999 7.732 7.552 1.00 22.05 C ATOM 692 NH1 ARG A 44 -5.457 6.534 7.728 1.00 14.32 N ATOM 693 NH2 ARG A 44 -4.540 8.388 8.566 1.00 10.22 N ATOM 0 H ARG A 44 -2.990 6.242 2.120 1.00 61.41 H new ATOM 0 HA ARG A 44 -0.982 7.082 3.968 1.00 20.42 H new ATOM 0 HB2 ARG A 44 -2.794 7.928 5.275 1.00 34.24 H new ATOM 0 HB3 ARG A 44 -3.212 8.194 3.594 1.00 34.24 H new ATOM 0 HG2 ARG A 44 -4.753 6.293 3.617 1.00 24.24 H new ATOM 0 HG3 ARG A 44 -4.251 5.854 5.238 1.00 24.24 H new ATOM 0 HD2 ARG A 44 -5.735 8.379 4.406 1.00 42.11 H new ATOM 0 HD3 ARG A 44 -6.369 7.053 5.359 1.00 42.11 H new ATOM 0 HE ARG A 44 -4.682 9.249 6.294 1.00 1.25 H new ATOM 0 HH11 ARG A 44 -5.834 6.011 6.938 1.00 14.32 H new ATOM 0 HH12 ARG A 44 -5.440 6.113 8.657 1.00 14.32 H new ATOM 0 HH21 ARG A 44 -4.189 9.338 8.442 1.00 10.22 H new ATOM 0 HH22 ARG A 44 -4.529 7.956 9.490 1.00 10.22 H new ATOM 707 N ILE A 45 -2.465 4.210 4.542 1.00 34.40 N ATOM 708 CA ILE A 45 -2.421 2.990 5.358 1.00 11.24 C ATOM 709 C ILE A 45 -0.981 2.470 5.507 1.00 13.32 C ATOM 710 O ILE A 45 -0.534 2.142 6.608 1.00 21.12 O ATOM 711 CB ILE A 45 -3.308 1.873 4.747 1.00 60.24 C ATOM 712 CG1 ILE A 45 -4.771 2.341 4.641 1.00 43.54 C ATOM 713 CG2 ILE A 45 -3.211 0.591 5.576 1.00 63.54 C ATOM 714 CD1 ILE A 45 -5.700 1.314 4.021 1.00 65.35 C ATOM 0 H ILE A 45 -3.053 4.136 3.712 1.00 34.40 H new ATOM 0 HA ILE A 45 -2.807 3.252 6.343 1.00 11.24 H new ATOM 0 HB ILE A 45 -2.943 1.658 3.743 1.00 60.24 H new ATOM 0 HG12 ILE A 45 -5.135 2.592 5.637 1.00 43.54 H new ATOM 0 HG13 ILE A 45 -4.808 3.255 4.048 1.00 43.54 H new ATOM 0 HG21 ILE A 45 -3.840 -0.179 5.130 1.00 63.54 H new ATOM 0 HG22 ILE A 45 -2.177 0.248 5.596 1.00 63.54 H new ATOM 0 HG23 ILE A 45 -3.547 0.790 6.594 1.00 63.54 H new ATOM 0 HD11 ILE A 45 -6.712 1.716 3.981 1.00 65.35 H new ATOM 0 HD12 ILE A 45 -5.362 1.080 3.012 1.00 65.35 H new ATOM 0 HD13 ILE A 45 -5.694 0.407 4.625 1.00 65.35 H new ATOM 726 N ILE A 46 -0.260 2.396 4.391 1.00 74.51 N ATOM 727 CA ILE A 46 1.139 1.965 4.412 1.00 65.01 C ATOM 728 C ILE A 46 2.076 3.107 4.840 1.00 34.43 C ATOM 729 O ILE A 46 3.031 2.887 5.582 1.00 71.04 O ATOM 730 CB ILE A 46 1.585 1.405 3.036 1.00 14.53 C ATOM 731 CG1 ILE A 46 1.414 2.458 1.924 1.00 42.21 C ATOM 732 CG2 ILE A 46 0.797 0.138 2.707 1.00 43.31 C ATOM 733 CD1 ILE A 46 1.842 1.977 0.549 1.00 50.55 C ATOM 0 H ILE A 46 -0.617 2.627 3.464 1.00 74.51 H new ATOM 0 HA ILE A 46 1.209 1.165 5.149 1.00 65.01 H new ATOM 0 HB ILE A 46 2.645 1.156 3.094 1.00 14.53 H new ATOM 0 HG12 ILE A 46 0.368 2.761 1.882 1.00 42.21 H new ATOM 0 HG13 ILE A 46 1.993 3.344 2.184 1.00 42.21 H new ATOM 0 HG21 ILE A 46 1.117 -0.248 1.739 1.00 43.31 H new ATOM 0 HG22 ILE A 46 0.979 -0.613 3.476 1.00 43.31 H new ATOM 0 HG23 ILE A 46 -0.267 0.370 2.671 1.00 43.31 H new ATOM 0 HD11 ILE A 46 1.691 2.774 -0.179 1.00 50.55 H new ATOM 0 HD12 ILE A 46 2.896 1.701 0.572 1.00 50.55 H new ATOM 0 HD13 ILE A 46 1.246 1.109 0.265 1.00 50.55 H new ATOM 745 N LEU A 47 1.780 4.325 4.391 1.00 4.21 N ATOM 746 CA LEU A 47 2.590 5.508 4.727 1.00 21.41 C ATOM 747 C LEU A 47 2.745 5.677 6.250 1.00 62.12 C ATOM 748 O LEU A 47 3.858 5.653 6.776 1.00 32.41 O ATOM 749 CB LEU A 47 1.949 6.764 4.116 1.00 25.35 C ATOM 750 CG LEU A 47 2.604 8.103 4.495 1.00 3.11 C ATOM 751 CD1 LEU A 47 4.083 8.118 4.121 1.00 43.44 C ATOM 752 CD2 LEU A 47 1.868 9.261 3.831 1.00 55.44 C ATOM 0 H LEU A 47 0.981 4.525 3.789 1.00 4.21 H new ATOM 0 HA LEU A 47 3.587 5.366 4.309 1.00 21.41 H new ATOM 0 HB2 LEU A 47 1.968 6.667 3.031 1.00 25.35 H new ATOM 0 HB3 LEU A 47 0.901 6.796 4.415 1.00 25.35 H new ATOM 0 HG LEU A 47 2.533 8.221 5.576 1.00 3.11 H new ATOM 0 HD11 LEU A 47 4.519 9.077 4.401 1.00 43.44 H new ATOM 0 HD12 LEU A 47 4.600 7.316 4.649 1.00 43.44 H new ATOM 0 HD13 LEU A 47 4.188 7.971 3.046 1.00 43.44 H new ATOM 0 HD21 LEU A 47 2.344 10.202 4.109 1.00 55.44 H new ATOM 0 HD22 LEU A 47 1.904 9.142 2.748 1.00 55.44 H new ATOM 0 HD23 LEU A 47 0.829 9.268 4.160 1.00 55.44 H new ATOM 764 N ASN A 48 1.620 5.818 6.954 1.00 72.03 N ATOM 765 CA ASN A 48 1.631 5.992 8.414 1.00 1.21 C ATOM 766 C ASN A 48 2.250 4.782 9.140 1.00 33.43 C ATOM 767 O ASN A 48 2.566 4.853 10.328 1.00 33.30 O ATOM 768 CB ASN A 48 0.209 6.261 8.922 1.00 53.54 C ATOM 769 CG ASN A 48 -0.289 7.636 8.508 1.00 74.23 C ATOM 770 OD1 ASN A 48 -0.877 7.813 7.445 1.00 53.21 O ATOM 771 ND2 ASN A 48 -0.048 8.625 9.343 1.00 71.42 N ATOM 0 H ASN A 48 0.688 5.816 6.540 1.00 72.03 H new ATOM 0 HA ASN A 48 2.261 6.853 8.639 1.00 1.21 H new ATOM 0 HB2 ASN A 48 -0.466 5.498 8.534 1.00 53.54 H new ATOM 0 HB3 ASN A 48 0.190 6.180 10.009 1.00 53.54 H new ATOM 0 HD21 ASN A 48 -0.352 9.571 9.114 1.00 71.42 H new ATOM 0 HD22 ASN A 48 0.443 8.445 10.219 1.00 71.42 H new ATOM 778 N HIS A 49 2.429 3.679 8.415 1.00 72.21 N ATOM 779 CA HIS A 49 3.084 2.486 8.958 1.00 44.02 C ATOM 780 C HIS A 49 4.600 2.508 8.666 1.00 13.23 C ATOM 781 O HIS A 49 5.403 2.036 9.471 1.00 50.12 O ATOM 782 CB HIS A 49 2.439 1.224 8.361 1.00 42.23 C ATOM 783 CG HIS A 49 2.939 -0.063 8.947 1.00 74.25 C ATOM 784 ND1 HIS A 49 2.309 -0.715 9.984 1.00 73.20 N ATOM 785 CD2 HIS A 49 4.002 -0.836 8.618 1.00 70.33 C ATOM 786 CE1 HIS A 49 2.964 -1.819 10.272 1.00 34.33 C ATOM 787 NE2 HIS A 49 3.994 -1.920 9.459 1.00 44.20 N ATOM 0 H HIS A 49 2.128 3.585 7.445 1.00 72.21 H new ATOM 0 HA HIS A 49 2.952 2.477 10.040 1.00 44.02 H new ATOM 0 HB2 HIS A 49 1.360 1.280 8.504 1.00 42.23 H new ATOM 0 HB3 HIS A 49 2.618 1.213 7.286 1.00 42.23 H new ATOM 0 HD2 HIS A 49 4.722 -0.636 7.838 1.00 70.33 H new ATOM 0 HE1 HIS A 49 2.701 -2.524 11.046 1.00 34.33 H new ATOM 0 HE2 HIS A 49 4.675 -2.680 9.455 1.00 44.20 H new ATOM 796 N LEU A 50 4.984 3.064 7.513 1.00 34.00 N ATOM 797 CA LEU A 50 6.402 3.156 7.125 1.00 35.33 C ATOM 798 C LEU A 50 7.124 4.297 7.860 1.00 4.14 C ATOM 799 O LEU A 50 8.300 4.174 8.209 1.00 34.12 O ATOM 800 CB LEU A 50 6.540 3.328 5.598 1.00 11.12 C ATOM 801 CG LEU A 50 6.643 2.023 4.781 1.00 60.13 C ATOM 802 CD1 LEU A 50 7.928 1.271 5.123 1.00 4.31 C ATOM 803 CD2 LEU A 50 5.422 1.132 5.005 1.00 23.32 C ATOM 0 H LEU A 50 4.337 3.458 6.830 1.00 34.00 H new ATOM 0 HA LEU A 50 6.879 2.221 7.418 1.00 35.33 H new ATOM 0 HB2 LEU A 50 5.682 3.894 5.236 1.00 11.12 H new ATOM 0 HB3 LEU A 50 7.426 3.930 5.398 1.00 11.12 H new ATOM 0 HG LEU A 50 6.672 2.292 3.725 1.00 60.13 H new ATOM 0 HD11 LEU A 50 7.980 0.354 4.536 1.00 4.31 H new ATOM 0 HD12 LEU A 50 8.789 1.899 4.893 1.00 4.31 H new ATOM 0 HD13 LEU A 50 7.933 1.023 6.184 1.00 4.31 H new ATOM 0 HD21 LEU A 50 5.524 0.220 4.416 1.00 23.32 H new ATOM 0 HD22 LEU A 50 5.348 0.875 6.062 1.00 23.32 H new ATOM 0 HD23 LEU A 50 4.522 1.664 4.697 1.00 23.32 H new ATOM 815 N GLU A 51 6.431 5.411 8.085 1.00 62.31 N ATOM 816 CA GLU A 51 7.001 6.520 8.864 1.00 31.23 C ATOM 817 C GLU A 51 7.216 6.112 10.333 1.00 72.44 C ATOM 818 O GLU A 51 8.148 6.584 10.988 1.00 64.45 O ATOM 819 CB GLU A 51 6.110 7.770 8.776 1.00 73.14 C ATOM 820 CG GLU A 51 4.677 7.556 9.253 1.00 65.35 C ATOM 821 CD GLU A 51 3.820 8.815 9.165 1.00 2.25 C ATOM 822 OE1 GLU A 51 3.811 9.463 8.097 1.00 53.11 O ATOM 823 OE2 GLU A 51 3.158 9.166 10.165 1.00 4.33 O ATOM 0 H GLU A 51 5.483 5.574 7.745 1.00 62.31 H new ATOM 0 HA GLU A 51 7.972 6.762 8.433 1.00 31.23 H new ATOM 0 HB2 GLU A 51 6.562 8.566 9.368 1.00 73.14 H new ATOM 0 HB3 GLU A 51 6.088 8.114 7.742 1.00 73.14 H new ATOM 0 HG2 GLU A 51 4.216 6.768 8.657 1.00 65.35 H new ATOM 0 HG3 GLU A 51 4.693 7.207 10.285 1.00 65.35 H new ATOM 830 N ASP A 52 6.350 5.228 10.832 1.00 61.15 N ATOM 831 CA ASP A 52 6.472 4.683 12.189 1.00 41.04 C ATOM 832 C ASP A 52 7.715 3.778 12.320 1.00 62.24 C ATOM 833 O ASP A 52 8.562 3.984 13.195 1.00 21.22 O ATOM 834 CB ASP A 52 5.193 3.910 12.538 1.00 54.12 C ATOM 835 CG ASP A 52 5.223 3.298 13.929 1.00 41.43 C ATOM 836 OD1 ASP A 52 5.530 4.025 14.899 1.00 22.33 O ATOM 837 OD2 ASP A 52 4.909 2.096 14.063 1.00 11.13 O ATOM 0 H ASP A 52 5.549 4.870 10.312 1.00 61.15 H new ATOM 0 HA ASP A 52 6.599 5.507 12.891 1.00 41.04 H new ATOM 0 HB2 ASP A 52 4.338 4.582 12.462 1.00 54.12 H new ATOM 0 HB3 ASP A 52 5.043 3.119 11.803 1.00 54.12 H new ATOM 842 N GLU A 53 7.820 2.776 11.445 1.00 23.51 N ATOM 843 CA GLU A 53 8.999 1.900 11.418 1.00 4.51 C ATOM 844 C GLU A 53 10.122 2.525 10.577 1.00 42.35 C ATOM 845 O GLU A 53 10.212 2.314 9.360 1.00 63.32 O ATOM 846 CB GLU A 53 8.638 0.505 10.880 1.00 11.53 C ATOM 847 CG GLU A 53 7.531 -0.192 11.669 1.00 62.02 C ATOM 848 CD GLU A 53 7.245 -1.597 11.161 1.00 73.40 C ATOM 849 OE1 GLU A 53 6.588 -1.735 10.114 1.00 62.21 O ATOM 850 OE2 GLU A 53 7.694 -2.576 11.798 1.00 33.30 O ATOM 0 H GLU A 53 7.110 2.550 10.749 1.00 23.51 H new ATOM 0 HA GLU A 53 9.356 1.788 12.442 1.00 4.51 H new ATOM 0 HB2 GLU A 53 8.327 0.596 9.839 1.00 11.53 H new ATOM 0 HB3 GLU A 53 9.530 -0.121 10.893 1.00 11.53 H new ATOM 0 HG2 GLU A 53 7.815 -0.241 12.720 1.00 62.02 H new ATOM 0 HG3 GLU A 53 6.620 0.403 11.612 1.00 62.02 H new TER 857 GLU A 53 ATOM 858 N MET B 201 -16.192 -21.695 -2.230 1.00 74.31 N ATOM 859 CA MET B 201 -15.481 -21.328 -3.460 1.00 60.35 C ATOM 860 C MET B 201 -16.459 -20.990 -4.591 1.00 20.14 C ATOM 861 O MET B 201 -16.064 -20.434 -5.620 1.00 71.24 O ATOM 862 CB MET B 201 -14.526 -22.442 -3.912 1.00 71.12 C ATOM 863 CG MET B 201 -13.330 -22.654 -2.988 1.00 1.10 C ATOM 864 SD MET B 201 -12.098 -23.770 -3.696 1.00 3.20 S ATOM 865 CE MET B 201 -11.660 -22.879 -5.192 1.00 43.33 C ATOM 0 HA MET B 201 -14.892 -20.440 -3.232 1.00 60.35 H new ATOM 0 HB2 MET B 201 -15.084 -23.376 -3.986 1.00 71.12 H new ATOM 0 HB3 MET B 201 -14.161 -22.209 -4.912 1.00 71.12 H new ATOM 0 HG2 MET B 201 -12.864 -21.692 -2.775 1.00 1.10 H new ATOM 0 HG3 MET B 201 -13.677 -23.057 -2.037 1.00 1.10 H new ATOM 0 HE1 MET B 201 -10.655 -23.163 -5.503 1.00 43.33 H new ATOM 0 HE2 MET B 201 -12.368 -23.126 -5.983 1.00 43.33 H new ATOM 0 HE3 MET B 201 -11.691 -21.807 -4.999 1.00 43.33 H new ATOM 875 N VAL B 202 -17.732 -21.344 -4.408 1.00 31.44 N ATOM 876 CA VAL B 202 -18.775 -21.009 -5.384 1.00 11.14 C ATOM 877 C VAL B 202 -19.624 -19.817 -4.896 1.00 22.42 C ATOM 878 O VAL B 202 -20.272 -19.125 -5.689 1.00 73.22 O ATOM 879 CB VAL B 202 -19.690 -22.231 -5.675 1.00 54.30 C ATOM 880 CG1 VAL B 202 -20.527 -22.604 -4.454 1.00 62.33 C ATOM 881 CG2 VAL B 202 -20.578 -21.976 -6.892 1.00 54.51 C ATOM 0 H VAL B 202 -18.067 -21.862 -3.595 1.00 31.44 H new ATOM 0 HA VAL B 202 -18.275 -20.727 -6.311 1.00 11.14 H new ATOM 0 HB VAL B 202 -19.044 -23.079 -5.903 1.00 54.30 H new ATOM 0 HG11 VAL B 202 -21.155 -23.462 -4.692 1.00 62.33 H new ATOM 0 HG12 VAL B 202 -19.867 -22.856 -3.624 1.00 62.33 H new ATOM 0 HG13 VAL B 202 -21.157 -21.760 -4.173 1.00 62.33 H new ATOM 0 HG21 VAL B 202 -21.207 -22.847 -7.072 1.00 54.51 H new ATOM 0 HG22 VAL B 202 -21.208 -21.106 -6.707 1.00 54.51 H new ATOM 0 HG23 VAL B 202 -19.953 -21.793 -7.766 1.00 54.51 H new ATOM 891 N GLY B 203 -19.613 -19.584 -3.583 1.00 53.41 N ATOM 892 CA GLY B 203 -20.334 -18.454 -3.000 1.00 41.25 C ATOM 893 C GLY B 203 -19.785 -18.048 -1.634 1.00 34.15 C ATOM 894 O GLY B 203 -20.526 -17.585 -0.765 1.00 43.02 O ATOM 0 H GLY B 203 -19.114 -20.161 -2.906 1.00 53.41 H new ATOM 0 HA2 GLY B 203 -20.277 -17.603 -3.678 1.00 41.25 H new ATOM 0 HA3 GLY B 203 -21.388 -18.712 -2.901 1.00 41.25 H new ATOM 898 N ARG B 204 -18.478 -18.215 -1.448 1.00 32.31 N ATOM 899 CA ARG B 204 -17.817 -17.905 -0.170 1.00 2.21 C ATOM 900 C ARG B 204 -16.656 -16.915 -0.374 1.00 22.25 C ATOM 901 O ARG B 204 -16.417 -16.445 -1.490 1.00 72.12 O ATOM 902 CB ARG B 204 -17.294 -19.201 0.472 1.00 32.41 C ATOM 903 CG ARG B 204 -18.369 -20.256 0.719 1.00 4.51 C ATOM 904 CD ARG B 204 -19.449 -19.761 1.677 1.00 51.02 C ATOM 905 NE ARG B 204 -20.436 -20.800 1.969 1.00 61.42 N ATOM 906 CZ ARG B 204 -21.636 -20.570 2.429 1.00 1.11 C ATOM 907 NH1 ARG B 204 -22.046 -19.360 2.641 1.00 31.34 N ATOM 908 NH2 ARG B 204 -22.432 -21.558 2.676 1.00 41.42 N ATOM 0 H ARG B 204 -17.846 -18.566 -2.168 1.00 32.31 H new ATOM 0 HA ARG B 204 -18.548 -17.440 0.491 1.00 2.21 H new ATOM 0 HB2 ARG B 204 -16.524 -19.627 -0.172 1.00 32.41 H new ATOM 0 HB3 ARG B 204 -16.817 -18.956 1.421 1.00 32.41 H new ATOM 0 HG2 ARG B 204 -18.827 -20.535 -0.230 1.00 4.51 H new ATOM 0 HG3 ARG B 204 -17.907 -21.155 1.127 1.00 4.51 H new ATOM 0 HD2 ARG B 204 -18.986 -19.429 2.606 1.00 51.02 H new ATOM 0 HD3 ARG B 204 -19.950 -18.896 1.243 1.00 51.02 H new ATOM 0 HE ARG B 204 -20.169 -21.770 1.802 1.00 61.42 H new ATOM 0 HH11 ARG B 204 -21.429 -18.571 2.448 1.00 31.34 H new ATOM 0 HH12 ARG B 204 -22.986 -19.196 3.001 1.00 31.34 H new ATOM 0 HH21 ARG B 204 -22.122 -22.516 2.512 1.00 41.42 H new ATOM 0 HH22 ARG B 204 -23.370 -21.380 3.035 1.00 41.42 H new ATOM 922 N ARG B 205 -15.932 -16.595 0.700 1.00 64.23 N ATOM 923 CA ARG B 205 -14.769 -15.700 0.599 1.00 62.04 C ATOM 924 C ARG B 205 -13.555 -16.433 -0.011 1.00 72.43 C ATOM 925 O ARG B 205 -13.194 -17.528 0.429 1.00 74.51 O ATOM 926 CB ARG B 205 -14.404 -15.114 1.978 1.00 64.22 C ATOM 927 CG ARG B 205 -13.937 -16.149 3.001 1.00 42.31 C ATOM 928 CD ARG B 205 -13.619 -15.515 4.357 1.00 22.25 C ATOM 929 NE ARG B 205 -12.571 -14.494 4.275 1.00 51.24 N ATOM 930 CZ ARG B 205 -11.924 -14.018 5.309 1.00 25.24 C ATOM 931 NH1 ARG B 205 -12.133 -14.490 6.501 1.00 52.51 N ATOM 932 NH2 ARG B 205 -11.055 -13.074 5.142 1.00 64.54 N ATOM 0 H ARG B 205 -16.124 -16.936 1.642 1.00 64.23 H new ATOM 0 HA ARG B 205 -15.040 -14.879 -0.064 1.00 62.04 H new ATOM 0 HB2 ARG B 205 -13.618 -14.371 1.847 1.00 64.22 H new ATOM 0 HB3 ARG B 205 -15.273 -14.592 2.379 1.00 64.22 H new ATOM 0 HG2 ARG B 205 -14.710 -16.907 3.128 1.00 42.31 H new ATOM 0 HG3 ARG B 205 -13.051 -16.658 2.622 1.00 42.31 H new ATOM 0 HD2 ARG B 205 -14.525 -15.067 4.765 1.00 22.25 H new ATOM 0 HD3 ARG B 205 -13.307 -16.294 5.053 1.00 22.25 H new ATOM 0 HE ARG B 205 -12.330 -14.131 3.353 1.00 51.24 H new ATOM 0 HH11 ARG B 205 -12.809 -15.241 6.641 1.00 52.51 H new ATOM 0 HH12 ARG B 205 -11.622 -14.109 7.297 1.00 52.51 H new ATOM 0 HH21 ARG B 205 -10.877 -12.704 4.208 1.00 64.54 H new ATOM 0 HH22 ARG B 205 -10.548 -12.700 5.944 1.00 64.54 H new ATOM 946 N PRO B 206 -12.922 -15.849 -1.051 1.00 11.05 N ATOM 947 CA PRO B 206 -11.743 -16.446 -1.706 1.00 41.23 C ATOM 948 C PRO B 206 -10.469 -16.371 -0.842 1.00 32.41 C ATOM 949 O PRO B 206 -10.493 -15.872 0.286 1.00 21.01 O ATOM 950 CB PRO B 206 -11.573 -15.607 -2.991 1.00 10.20 C ATOM 951 CG PRO B 206 -12.806 -14.767 -3.094 1.00 63.34 C ATOM 952 CD PRO B 206 -13.305 -14.586 -1.689 1.00 42.14 C ATOM 0 HA PRO B 206 -11.890 -17.510 -1.890 1.00 41.23 H new ATOM 0 HB2 PRO B 206 -10.679 -14.985 -2.937 1.00 10.20 H new ATOM 0 HB3 PRO B 206 -11.462 -16.248 -3.865 1.00 10.20 H new ATOM 0 HG2 PRO B 206 -12.585 -13.805 -3.556 1.00 63.34 H new ATOM 0 HG3 PRO B 206 -13.558 -15.253 -3.715 1.00 63.34 H new ATOM 0 HD2 PRO B 206 -12.842 -13.728 -1.201 1.00 42.14 H new ATOM 0 HD3 PRO B 206 -14.383 -14.426 -1.659 1.00 42.14 H new ATOM 960 N GLY B 207 -9.355 -16.862 -1.386 1.00 14.33 N ATOM 961 CA GLY B 207 -8.091 -16.835 -0.655 1.00 31.53 C ATOM 962 C GLY B 207 -6.982 -17.627 -1.337 1.00 42.55 C ATOM 963 O GLY B 207 -6.724 -18.782 -0.985 1.00 53.55 O ATOM 0 H GLY B 207 -9.303 -17.277 -2.316 1.00 14.33 H new ATOM 0 HA2 GLY B 207 -7.769 -15.800 -0.538 1.00 31.53 H new ATOM 0 HA3 GLY B 207 -8.250 -17.235 0.347 1.00 31.53 H new ATOM 967 N GLY B 208 -6.326 -17.010 -2.315 1.00 23.30 N ATOM 968 CA GLY B 208 -5.231 -17.670 -3.026 1.00 42.42 C ATOM 969 C GLY B 208 -4.118 -16.715 -3.451 1.00 52.32 C ATOM 970 O GLY B 208 -2.954 -17.108 -3.545 1.00 34.42 O ATOM 0 H GLY B 208 -6.529 -16.062 -2.633 1.00 23.30 H new ATOM 0 HA2 GLY B 208 -4.809 -18.446 -2.387 1.00 42.42 H new ATOM 0 HA3 GLY B 208 -5.630 -18.167 -3.910 1.00 42.42 H new ATOM 974 N GLY B 209 -4.476 -15.462 -3.717 1.00 32.04 N ATOM 975 CA GLY B 209 -3.496 -14.468 -4.143 1.00 15.04 C ATOM 976 C GLY B 209 -3.194 -14.531 -5.637 1.00 63.04 C ATOM 977 O GLY B 209 -2.143 -14.073 -6.087 1.00 65.44 O ATOM 0 H GLY B 209 -5.432 -15.112 -3.646 1.00 32.04 H new ATOM 0 HA2 GLY B 209 -3.864 -13.473 -3.894 1.00 15.04 H new ATOM 0 HA3 GLY B 209 -2.572 -14.615 -3.585 1.00 15.04 H new ATOM 981 N LEU B 210 -4.121 -15.093 -6.407 1.00 40.14 N ATOM 982 CA LEU B 210 -3.941 -15.254 -7.854 1.00 61.21 C ATOM 983 C LEU B 210 -4.744 -14.200 -8.632 1.00 61.51 C ATOM 984 O LEU B 210 -4.174 -13.270 -9.201 1.00 73.42 O ATOM 985 CB LEU B 210 -4.356 -16.671 -8.276 1.00 53.40 C ATOM 986 CG LEU B 210 -3.619 -17.811 -7.551 1.00 4.03 C ATOM 987 CD1 LEU B 210 -4.109 -19.172 -8.039 1.00 44.14 C ATOM 988 CD2 LEU B 210 -2.107 -17.683 -7.733 1.00 60.21 C ATOM 0 H LEU B 210 -5.010 -15.448 -6.055 1.00 40.14 H new ATOM 0 HA LEU B 210 -2.887 -15.108 -8.090 1.00 61.21 H new ATOM 0 HB2 LEU B 210 -5.426 -16.785 -8.105 1.00 53.40 H new ATOM 0 HB3 LEU B 210 -4.191 -16.777 -9.348 1.00 53.40 H new ATOM 0 HG LEU B 210 -3.841 -17.733 -6.487 1.00 4.03 H new ATOM 0 HD11 LEU B 210 -3.574 -19.962 -7.512 1.00 44.14 H new ATOM 0 HD12 LEU B 210 -5.177 -19.265 -7.844 1.00 44.14 H new ATOM 0 HD13 LEU B 210 -3.926 -19.262 -9.110 1.00 44.14 H new ATOM 0 HD21 LEU B 210 -1.607 -18.500 -7.212 1.00 60.21 H new ATOM 0 HD22 LEU B 210 -1.863 -17.727 -8.794 1.00 60.21 H new ATOM 0 HD23 LEU B 210 -1.770 -16.731 -7.323 1.00 60.21 H new ATOM 1000 N LYS B 211 -6.068 -14.357 -8.665 1.00 65.22 N ATOM 1001 CA LYS B 211 -6.956 -13.349 -9.268 1.00 62.05 C ATOM 1002 C LYS B 211 -7.854 -12.715 -8.199 1.00 52.44 C ATOM 1003 O LYS B 211 -8.375 -11.612 -8.381 1.00 62.04 O ATOM 1004 CB LYS B 211 -7.837 -13.968 -10.364 1.00 65.30 C ATOM 1005 CG LYS B 211 -8.894 -14.943 -9.840 1.00 0.24 C ATOM 1006 CD LYS B 211 -9.918 -15.310 -10.915 1.00 43.12 C ATOM 1007 CE LYS B 211 -9.308 -16.132 -12.043 1.00 52.51 C ATOM 1008 NZ LYS B 211 -8.836 -17.459 -11.571 1.00 20.02 N ATOM 0 H LYS B 211 -6.553 -15.169 -8.283 1.00 65.22 H new ATOM 0 HA LYS B 211 -6.323 -12.582 -9.715 1.00 62.05 H new ATOM 0 HB2 LYS B 211 -8.336 -13.167 -10.910 1.00 65.30 H new ATOM 0 HB3 LYS B 211 -7.198 -14.490 -11.077 1.00 65.30 H new ATOM 0 HG2 LYS B 211 -8.405 -15.849 -9.481 1.00 0.24 H new ATOM 0 HG3 LYS B 211 -9.407 -14.498 -8.988 1.00 0.24 H new ATOM 0 HD2 LYS B 211 -10.733 -15.872 -10.459 1.00 43.12 H new ATOM 0 HD3 LYS B 211 -10.351 -14.398 -11.327 1.00 43.12 H new ATOM 0 HE2 LYS B 211 -10.047 -16.270 -12.832 1.00 52.51 H new ATOM 0 HE3 LYS B 211 -8.473 -15.585 -12.480 1.00 52.51 H new ATOM 0 HZ1 LYS B 211 -8.634 -18.067 -12.390 1.00 20.02 H new ATOM 0 HZ2 LYS B 211 -7.971 -17.339 -11.007 1.00 20.02 H new ATOM 0 HZ3 LYS B 211 -9.573 -17.901 -10.985 1.00 20.02 H new ATOM 1022 N ASP B 212 -8.039 -13.438 -7.095 1.00 10.02 N ATOM 1023 CA ASP B 212 -8.883 -12.988 -5.987 1.00 35.42 C ATOM 1024 C ASP B 212 -8.373 -11.670 -5.377 1.00 50.13 C ATOM 1025 O ASP B 212 -9.132 -10.715 -5.226 1.00 64.41 O ATOM 1026 CB ASP B 212 -8.966 -14.091 -4.923 1.00 13.24 C ATOM 1027 CG ASP B 212 -7.598 -14.611 -4.511 1.00 63.20 C ATOM 1028 OD1 ASP B 212 -6.921 -15.248 -5.345 1.00 51.35 O ATOM 1029 OD2 ASP B 212 -7.196 -14.396 -3.350 1.00 21.31 O ATOM 0 H ASP B 212 -7.609 -14.350 -6.943 1.00 10.02 H new ATOM 0 HA ASP B 212 -9.882 -12.789 -6.376 1.00 35.42 H new ATOM 0 HB2 ASP B 212 -9.483 -13.705 -4.045 1.00 13.24 H new ATOM 0 HB3 ASP B 212 -9.564 -14.917 -5.308 1.00 13.24 H new ATOM 1034 N THR B 213 -7.093 -11.623 -5.026 1.00 71.24 N ATOM 1035 CA THR B 213 -6.480 -10.386 -4.536 1.00 63.41 C ATOM 1036 C THR B 213 -6.378 -9.344 -5.662 1.00 72.13 C ATOM 1037 O THR B 213 -5.508 -9.433 -6.531 1.00 2.42 O ATOM 1038 CB THR B 213 -5.076 -10.644 -3.942 1.00 52.41 C ATOM 1039 OG1 THR B 213 -4.224 -11.264 -4.921 1.00 54.34 O ATOM 1040 CG2 THR B 213 -5.163 -11.529 -2.701 1.00 21.44 C ATOM 0 H THR B 213 -6.459 -12.421 -5.070 1.00 71.24 H new ATOM 0 HA THR B 213 -7.124 -10.000 -3.746 1.00 63.41 H new ATOM 0 HB THR B 213 -4.651 -9.682 -3.655 1.00 52.41 H new ATOM 0 HG1 THR B 213 -3.338 -11.420 -4.532 1.00 54.34 H new ATOM 0 HG21 THR B 213 -4.162 -11.696 -2.302 1.00 21.44 H new ATOM 0 HG22 THR B 213 -5.777 -11.038 -1.946 1.00 21.44 H new ATOM 0 HG23 THR B 213 -5.611 -12.486 -2.967 1.00 21.44 H new ATOM 1048 N LYS B 214 -7.287 -8.369 -5.643 1.00 14.15 N ATOM 1049 CA LYS B 214 -7.387 -7.355 -6.701 1.00 31.33 C ATOM 1050 C LYS B 214 -6.132 -6.459 -6.755 1.00 4.14 C ATOM 1051 O LYS B 214 -5.721 -5.893 -5.739 1.00 0.32 O ATOM 1052 CB LYS B 214 -8.637 -6.488 -6.469 1.00 55.04 C ATOM 1053 CG LYS B 214 -9.906 -7.293 -6.173 1.00 73.23 C ATOM 1054 CD LYS B 214 -10.329 -8.180 -7.347 1.00 12.20 C ATOM 1055 CE LYS B 214 -10.891 -7.365 -8.507 1.00 24.14 C ATOM 1056 NZ LYS B 214 -11.223 -8.222 -9.674 1.00 53.13 N ATOM 0 H LYS B 214 -7.974 -8.257 -4.898 1.00 14.15 H new ATOM 0 HA LYS B 214 -7.466 -7.874 -7.656 1.00 31.33 H new ATOM 0 HB2 LYS B 214 -8.447 -5.810 -5.637 1.00 55.04 H new ATOM 0 HB3 LYS B 214 -8.808 -5.871 -7.351 1.00 55.04 H new ATOM 0 HG2 LYS B 214 -9.740 -7.915 -5.294 1.00 73.23 H new ATOM 0 HG3 LYS B 214 -10.718 -6.608 -5.930 1.00 73.23 H new ATOM 0 HD2 LYS B 214 -9.471 -8.758 -7.692 1.00 12.20 H new ATOM 0 HD3 LYS B 214 -11.080 -8.895 -7.009 1.00 12.20 H new ATOM 0 HE2 LYS B 214 -11.785 -6.835 -8.179 1.00 24.14 H new ATOM 0 HE3 LYS B 214 -10.164 -6.609 -8.806 1.00 24.14 H new ATOM 0 HZ1 LYS B 214 -11.602 -7.632 -10.442 1.00 53.13 H new ATOM 0 HZ2 LYS B 214 -10.365 -8.708 -10.003 1.00 53.13 H new ATOM 0 HZ3 LYS B 214 -11.935 -8.927 -9.396 1.00 53.13 H new ATOM 1070 N PRO B 215 -5.506 -6.321 -7.944 1.00 11.30 N ATOM 1071 CA PRO B 215 -4.302 -5.489 -8.127 1.00 10.25 C ATOM 1072 C PRO B 215 -4.596 -3.974 -8.100 1.00 31.13 C ATOM 1073 O PRO B 215 -5.254 -3.436 -8.997 1.00 45.22 O ATOM 1074 CB PRO B 215 -3.769 -5.915 -9.515 1.00 62.13 C ATOM 1075 CG PRO B 215 -4.579 -7.112 -9.911 1.00 54.32 C ATOM 1076 CD PRO B 215 -5.895 -6.974 -9.202 1.00 44.43 C ATOM 0 HA PRO B 215 -3.591 -5.642 -7.315 1.00 10.25 H new ATOM 0 HB2 PRO B 215 -3.880 -5.110 -10.241 1.00 62.13 H new ATOM 0 HB3 PRO B 215 -2.708 -6.158 -9.469 1.00 62.13 H new ATOM 0 HG2 PRO B 215 -4.720 -7.148 -10.991 1.00 54.32 H new ATOM 0 HG3 PRO B 215 -4.076 -8.036 -9.624 1.00 54.32 H new ATOM 0 HD2 PRO B 215 -6.602 -6.371 -9.771 1.00 44.43 H new ATOM 0 HD3 PRO B 215 -6.367 -7.941 -9.029 1.00 44.43 H new ATOM 1084 N VAL B 216 -4.104 -3.295 -7.066 1.00 2.22 N ATOM 1085 CA VAL B 216 -4.259 -1.840 -6.924 1.00 61.32 C ATOM 1086 C VAL B 216 -2.904 -1.122 -7.069 1.00 75.33 C ATOM 1087 O VAL B 216 -1.914 -1.513 -6.450 1.00 54.23 O ATOM 1088 CB VAL B 216 -4.879 -1.478 -5.548 1.00 22.23 C ATOM 1089 CG1 VAL B 216 -5.087 0.032 -5.416 1.00 35.02 C ATOM 1090 CG2 VAL B 216 -6.194 -2.228 -5.329 1.00 2.01 C ATOM 0 H VAL B 216 -3.587 -3.732 -6.303 1.00 2.22 H new ATOM 0 HA VAL B 216 -4.928 -1.509 -7.718 1.00 61.32 H new ATOM 0 HB VAL B 216 -4.177 -1.788 -4.774 1.00 22.23 H new ATOM 0 HG11 VAL B 216 -5.523 0.256 -4.442 1.00 35.02 H new ATOM 0 HG12 VAL B 216 -4.128 0.541 -5.510 1.00 35.02 H new ATOM 0 HG13 VAL B 216 -5.759 0.377 -6.202 1.00 35.02 H new ATOM 0 HG21 VAL B 216 -6.610 -1.958 -4.358 1.00 2.01 H new ATOM 0 HG22 VAL B 216 -6.901 -1.959 -6.114 1.00 2.01 H new ATOM 0 HG23 VAL B 216 -6.010 -3.302 -5.359 1.00 2.01 H new ATOM 1100 N VAL B 217 -2.860 -0.071 -7.886 1.00 15.32 N ATOM 1101 CA VAL B 217 -1.617 0.684 -8.109 1.00 21.33 C ATOM 1102 C VAL B 217 -1.503 1.896 -7.159 1.00 42.13 C ATOM 1103 O VAL B 217 -2.223 2.889 -7.297 1.00 43.51 O ATOM 1104 CB VAL B 217 -1.497 1.151 -9.586 1.00 32.32 C ATOM 1105 CG1 VAL B 217 -2.716 1.968 -10.012 1.00 71.52 C ATOM 1106 CG2 VAL B 217 -0.202 1.939 -9.807 1.00 4.52 C ATOM 0 H VAL B 217 -3.665 0.280 -8.405 1.00 15.32 H new ATOM 0 HA VAL B 217 -0.793 0.004 -7.891 1.00 21.33 H new ATOM 0 HB VAL B 217 -1.462 0.261 -10.214 1.00 32.32 H new ATOM 0 HG11 VAL B 217 -2.601 2.279 -11.050 1.00 71.52 H new ATOM 0 HG12 VAL B 217 -3.615 1.359 -9.914 1.00 71.52 H new ATOM 0 HG13 VAL B 217 -2.804 2.849 -9.377 1.00 71.52 H new ATOM 0 HG21 VAL B 217 -0.141 2.255 -10.849 1.00 4.52 H new ATOM 0 HG22 VAL B 217 -0.195 2.817 -9.161 1.00 4.52 H new ATOM 0 HG23 VAL B 217 0.654 1.307 -9.569 1.00 4.52 H new ATOM 1116 N VAL B 218 -0.591 1.806 -6.194 1.00 24.24 N ATOM 1117 CA VAL B 218 -0.401 2.868 -5.195 1.00 54.25 C ATOM 1118 C VAL B 218 0.996 3.500 -5.303 1.00 15.42 C ATOM 1119 O VAL B 218 1.993 2.798 -5.446 1.00 52.11 O ATOM 1120 CB VAL B 218 -0.595 2.315 -3.760 1.00 72.24 C ATOM 1121 CG1 VAL B 218 -0.446 3.421 -2.716 1.00 15.03 C ATOM 1122 CG2 VAL B 218 -1.951 1.626 -3.633 1.00 2.55 C ATOM 0 H VAL B 218 0.033 1.007 -6.078 1.00 24.24 H new ATOM 0 HA VAL B 218 -1.151 3.633 -5.397 1.00 54.25 H new ATOM 0 HB VAL B 218 0.186 1.577 -3.573 1.00 72.24 H new ATOM 0 HG11 VAL B 218 -0.587 3.002 -1.720 1.00 15.03 H new ATOM 0 HG12 VAL B 218 0.550 3.858 -2.788 1.00 15.03 H new ATOM 0 HG13 VAL B 218 -1.194 4.193 -2.895 1.00 15.03 H new ATOM 0 HG21 VAL B 218 -2.071 1.243 -2.619 1.00 2.55 H new ATOM 0 HG22 VAL B 218 -2.744 2.342 -3.847 1.00 2.55 H new ATOM 0 HG23 VAL B 218 -2.007 0.800 -4.342 1.00 2.55 H new ATOM 1132 N ARG B 219 1.065 4.827 -5.232 1.00 5.14 N ATOM 1133 CA ARG B 219 2.348 5.538 -5.310 1.00 52.05 C ATOM 1134 C ARG B 219 2.926 5.823 -3.912 1.00 4.22 C ATOM 1135 O ARG B 219 2.323 6.543 -3.113 1.00 55.10 O ATOM 1136 CB ARG B 219 2.190 6.850 -6.095 1.00 23.52 C ATOM 1137 CG ARG B 219 1.827 6.651 -7.565 1.00 60.45 C ATOM 1138 CD ARG B 219 1.784 7.974 -8.324 1.00 44.15 C ATOM 1139 NE ARG B 219 3.060 8.687 -8.257 1.00 12.01 N ATOM 1140 CZ ARG B 219 3.188 9.982 -8.370 1.00 22.00 C ATOM 1141 NH1 ARG B 219 2.156 10.730 -8.591 1.00 41.44 N ATOM 1142 NH2 ARG B 219 4.361 10.522 -8.267 1.00 73.25 N ATOM 0 H ARG B 219 0.253 5.434 -5.121 1.00 5.14 H new ATOM 0 HA ARG B 219 3.049 4.890 -5.836 1.00 52.05 H new ATOM 0 HB2 ARG B 219 1.419 7.456 -5.619 1.00 23.52 H new ATOM 0 HB3 ARG B 219 3.121 7.413 -6.034 1.00 23.52 H new ATOM 0 HG2 ARG B 219 2.555 5.988 -8.032 1.00 60.45 H new ATOM 0 HG3 ARG B 219 0.857 6.160 -7.636 1.00 60.45 H new ATOM 0 HD2 ARG B 219 1.529 7.785 -9.367 1.00 44.15 H new ATOM 0 HD3 ARG B 219 0.995 8.603 -7.911 1.00 44.15 H new ATOM 0 HE ARG B 219 3.906 8.136 -8.112 1.00 12.01 H new ATOM 0 HH11 ARG B 219 1.231 10.310 -8.679 1.00 41.44 H new ATOM 0 HH12 ARG B 219 2.267 11.740 -8.677 1.00 41.44 H new ATOM 0 HH21 ARG B 219 5.179 9.936 -8.098 1.00 73.25 H new ATOM 0 HH22 ARG B 219 4.467 11.533 -8.354 1.00 73.25 H new ATOM 1156 N LEU B 220 4.102 5.254 -3.628 1.00 24.45 N ATOM 1157 CA LEU B 220 4.770 5.427 -2.328 1.00 33.15 C ATOM 1158 C LEU B 220 6.094 6.204 -2.481 1.00 70.33 C ATOM 1159 O LEU B 220 6.678 6.250 -3.567 1.00 31.03 O ATOM 1160 CB LEU B 220 5.026 4.049 -1.689 1.00 53.33 C ATOM 1161 CG LEU B 220 5.604 4.069 -0.259 1.00 54.10 C ATOM 1162 CD1 LEU B 220 4.667 4.806 0.697 1.00 73.21 C ATOM 1163 CD2 LEU B 220 5.869 2.645 0.235 1.00 2.15 C ATOM 0 H LEU B 220 4.616 4.666 -4.284 1.00 24.45 H new ATOM 0 HA LEU B 220 4.117 6.009 -1.678 1.00 33.15 H new ATOM 0 HB2 LEU B 220 4.086 3.497 -1.673 1.00 53.33 H new ATOM 0 HB3 LEU B 220 5.711 3.494 -2.330 1.00 53.33 H new ATOM 0 HG LEU B 220 6.552 4.606 -0.284 1.00 54.10 H new ATOM 0 HD11 LEU B 220 5.096 4.807 1.699 1.00 73.21 H new ATOM 0 HD12 LEU B 220 4.536 5.834 0.358 1.00 73.21 H new ATOM 0 HD13 LEU B 220 3.700 4.304 0.717 1.00 73.21 H new ATOM 0 HD21 LEU B 220 6.276 2.680 1.245 1.00 2.15 H new ATOM 0 HD22 LEU B 220 4.936 2.082 0.240 1.00 2.15 H new ATOM 0 HD23 LEU B 220 6.584 2.157 -0.428 1.00 2.15 H new ATOM 1175 N TYR B 221 6.563 6.812 -1.389 1.00 41.14 N ATOM 1176 CA TYR B 221 7.780 7.634 -1.414 1.00 63.23 C ATOM 1177 C TYR B 221 9.047 6.780 -1.629 1.00 1.52 C ATOM 1178 O TYR B 221 9.292 5.825 -0.891 1.00 12.14 O ATOM 1179 CB TYR B 221 7.889 8.434 -0.110 1.00 31.43 C ATOM 1180 CG TYR B 221 6.743 9.411 0.101 1.00 62.24 C ATOM 1181 CD1 TYR B 221 5.524 8.990 0.628 1.00 42.33 C ATOM 1182 CD2 TYR B 221 6.877 10.754 -0.234 1.00 2.55 C ATOM 1183 CE1 TYR B 221 4.481 9.877 0.815 1.00 73.13 C ATOM 1184 CE2 TYR B 221 5.838 11.646 -0.050 1.00 34.35 C ATOM 1185 CZ TYR B 221 4.643 11.203 0.473 1.00 72.11 C ATOM 1186 OH TYR B 221 3.607 12.090 0.655 1.00 12.14 O ATOM 0 H TYR B 221 6.119 6.752 -0.473 1.00 41.14 H new ATOM 0 HA TYR B 221 7.706 8.320 -2.258 1.00 63.23 H new ATOM 0 HB2 TYR B 221 7.924 7.741 0.730 1.00 31.43 H new ATOM 0 HB3 TYR B 221 8.830 8.984 -0.108 1.00 31.43 H new ATOM 0 HD1 TYR B 221 5.392 7.952 0.895 1.00 42.33 H new ATOM 0 HD2 TYR B 221 7.811 11.107 -0.646 1.00 2.55 H new ATOM 0 HE1 TYR B 221 3.544 9.533 1.227 1.00 73.13 H new ATOM 0 HE2 TYR B 221 5.962 12.686 -0.315 1.00 34.35 H new ATOM 0 HH TYR B 221 3.886 12.983 0.365 1.00 12.14 H new ATOM 1196 N PRO B 222 9.874 7.123 -2.648 1.00 22.33 N ATOM 1197 CA PRO B 222 11.093 6.355 -2.997 1.00 61.25 C ATOM 1198 C PRO B 222 12.058 6.154 -1.816 1.00 52.32 C ATOM 1199 O PRO B 222 12.624 5.073 -1.640 1.00 32.04 O ATOM 1200 CB PRO B 222 11.753 7.215 -4.089 1.00 22.23 C ATOM 1201 CG PRO B 222 10.631 8.001 -4.679 1.00 50.30 C ATOM 1202 CD PRO B 222 9.683 8.282 -3.542 1.00 64.22 C ATOM 0 HA PRO B 222 10.843 5.342 -3.311 1.00 61.25 H new ATOM 0 HB2 PRO B 222 12.518 7.869 -3.670 1.00 22.23 H new ATOM 0 HB3 PRO B 222 12.241 6.595 -4.841 1.00 22.23 H new ATOM 0 HG2 PRO B 222 10.994 8.928 -5.123 1.00 50.30 H new ATOM 0 HG3 PRO B 222 10.135 7.440 -5.472 1.00 50.30 H new ATOM 0 HD2 PRO B 222 9.922 9.220 -3.041 1.00 64.22 H new ATOM 0 HD3 PRO B 222 8.652 8.358 -3.887 1.00 64.22 H new ATOM 1210 N ASP B 223 12.234 7.197 -1.009 1.00 41.55 N ATOM 1211 CA ASP B 223 13.132 7.151 0.151 1.00 73.54 C ATOM 1212 C ASP B 223 12.644 6.145 1.212 1.00 33.04 C ATOM 1213 O ASP B 223 13.449 5.500 1.888 1.00 50.04 O ATOM 1214 CB ASP B 223 13.278 8.555 0.755 1.00 44.15 C ATOM 1215 CG ASP B 223 11.937 9.205 1.060 1.00 44.22 C ATOM 1216 OD1 ASP B 223 11.125 9.361 0.123 1.00 34.34 O ATOM 1217 OD2 ASP B 223 11.694 9.563 2.232 1.00 72.32 O ATOM 0 H ASP B 223 11.764 8.093 -1.136 1.00 41.55 H new ATOM 0 HA ASP B 223 14.109 6.808 -0.190 1.00 73.54 H new ATOM 0 HB2 ASP B 223 13.864 8.492 1.672 1.00 44.15 H new ATOM 0 HB3 ASP B 223 13.835 9.187 0.064 1.00 44.15 H new ATOM 1222 N GLU B 224 11.326 6.008 1.346 1.00 34.43 N ATOM 1223 CA GLU B 224 10.744 5.015 2.253 1.00 51.14 C ATOM 1224 C GLU B 224 10.779 3.610 1.628 1.00 63.12 C ATOM 1225 O GLU B 224 11.026 2.616 2.317 1.00 74.24 O ATOM 1226 CB GLU B 224 9.309 5.411 2.623 1.00 3.14 C ATOM 1227 CG GLU B 224 9.217 6.765 3.325 1.00 0.34 C ATOM 1228 CD GLU B 224 7.819 7.082 3.827 1.00 43.32 C ATOM 1229 OE1 GLU B 224 7.008 7.608 3.043 1.00 41.13 O ATOM 1230 OE2 GLU B 224 7.538 6.822 5.019 1.00 71.34 O ATOM 0 H GLU B 224 10.641 6.570 0.840 1.00 34.43 H new ATOM 0 HA GLU B 224 11.343 4.989 3.163 1.00 51.14 H new ATOM 0 HB2 GLU B 224 8.702 5.437 1.718 1.00 3.14 H new ATOM 0 HB3 GLU B 224 8.883 4.644 3.270 1.00 3.14 H new ATOM 0 HG2 GLU B 224 9.910 6.779 4.166 1.00 0.34 H new ATOM 0 HG3 GLU B 224 9.535 7.547 2.636 1.00 0.34 H new ATOM 1237 N ILE B 225 10.547 3.534 0.315 1.00 41.11 N ATOM 1238 CA ILE B 225 10.684 2.273 -0.427 1.00 11.23 C ATOM 1239 C ILE B 225 12.114 1.730 -0.303 1.00 54.32 C ATOM 1240 O ILE B 225 12.334 0.518 -0.259 1.00 54.15 O ATOM 1241 CB ILE B 225 10.322 2.450 -1.927 1.00 41.51 C ATOM 1242 CG1 ILE B 225 8.856 2.888 -2.072 1.00 11.22 C ATOM 1243 CG2 ILE B 225 10.579 1.159 -2.709 1.00 3.35 C ATOM 1244 CD1 ILE B 225 8.423 3.132 -3.503 1.00 72.13 C ATOM 0 H ILE B 225 10.264 4.329 -0.258 1.00 41.11 H new ATOM 0 HA ILE B 225 9.986 1.560 0.011 1.00 11.23 H new ATOM 0 HB ILE B 225 10.962 3.228 -2.344 1.00 41.51 H new ATOM 0 HG12 ILE B 225 8.214 2.123 -1.635 1.00 11.22 H new ATOM 0 HG13 ILE B 225 8.702 3.801 -1.496 1.00 11.22 H new ATOM 0 HG21 ILE B 225 10.317 1.310 -3.756 1.00 3.35 H new ATOM 0 HG22 ILE B 225 11.633 0.891 -2.633 1.00 3.35 H new ATOM 0 HG23 ILE B 225 9.970 0.355 -2.295 1.00 3.35 H new ATOM 0 HD11 ILE B 225 7.377 3.437 -3.520 1.00 72.13 H new ATOM 0 HD12 ILE B 225 9.038 3.919 -3.940 1.00 72.13 H new ATOM 0 HD13 ILE B 225 8.543 2.215 -4.081 1.00 72.13 H new ATOM 1256 N GLU B 226 13.081 2.645 -0.232 1.00 72.13 N ATOM 1257 CA GLU B 226 14.484 2.286 -0.006 1.00 64.05 C ATOM 1258 C GLU B 226 14.638 1.430 1.265 1.00 15.23 C ATOM 1259 O GLU B 226 15.372 0.438 1.280 1.00 1.24 O ATOM 1260 CB GLU B 226 15.339 3.556 0.111 1.00 22.23 C ATOM 1261 CG GLU B 226 16.833 3.284 0.226 1.00 33.24 C ATOM 1262 CD GLU B 226 17.642 4.543 0.482 1.00 10.41 C ATOM 1263 OE1 GLU B 226 17.750 5.387 -0.430 1.00 41.33 O ATOM 1264 OE2 GLU B 226 18.176 4.700 1.599 1.00 50.51 O ATOM 0 H GLU B 226 12.918 3.647 -0.328 1.00 72.13 H new ATOM 0 HA GLU B 226 14.826 1.698 -0.857 1.00 64.05 H new ATOM 0 HB2 GLU B 226 15.160 4.185 -0.761 1.00 22.23 H new ATOM 0 HB3 GLU B 226 15.014 4.122 0.984 1.00 22.23 H new ATOM 0 HG2 GLU B 226 17.007 2.575 1.035 1.00 33.24 H new ATOM 0 HG3 GLU B 226 17.184 2.813 -0.692 1.00 33.24 H new ATOM 1271 N ALA B 227 13.938 1.823 2.328 1.00 21.41 N ATOM 1272 CA ALA B 227 13.922 1.054 3.577 1.00 2.54 C ATOM 1273 C ALA B 227 13.067 -0.214 3.436 1.00 75.35 C ATOM 1274 O ALA B 227 13.395 -1.270 3.981 1.00 63.52 O ATOM 1275 CB ALA B 227 13.400 1.920 4.720 1.00 74.33 C ATOM 0 H ALA B 227 13.372 2.671 2.352 1.00 21.41 H new ATOM 0 HA ALA B 227 14.944 0.748 3.801 1.00 2.54 H new ATOM 0 HB1 ALA B 227 13.392 1.339 5.642 1.00 74.33 H new ATOM 0 HB2 ALA B 227 14.047 2.788 4.843 1.00 74.33 H new ATOM 0 HB3 ALA B 227 12.387 2.252 4.492 1.00 74.33 H new ATOM 1281 N LEU B 228 11.973 -0.094 2.688 1.00 35.53 N ATOM 1282 CA LEU B 228 11.056 -1.213 2.436 1.00 20.31 C ATOM 1283 C LEU B 228 11.775 -2.412 1.790 1.00 71.24 C ATOM 1284 O LEU B 228 11.523 -3.562 2.144 1.00 14.04 O ATOM 1285 CB LEU B 228 9.907 -0.743 1.534 1.00 1.02 C ATOM 1286 CG LEU B 228 8.846 -1.804 1.198 1.00 72.22 C ATOM 1287 CD1 LEU B 228 8.110 -2.259 2.459 1.00 72.45 C ATOM 1288 CD2 LEU B 228 7.867 -1.274 0.151 1.00 31.41 C ATOM 0 H LEU B 228 11.694 0.778 2.238 1.00 35.53 H new ATOM 0 HA LEU B 228 10.662 -1.546 3.396 1.00 20.31 H new ATOM 0 HB2 LEU B 228 9.412 0.099 2.017 1.00 1.02 H new ATOM 0 HB3 LEU B 228 10.331 -0.371 0.601 1.00 1.02 H new ATOM 0 HG LEU B 228 9.353 -2.672 0.778 1.00 72.22 H new ATOM 0 HD11 LEU B 228 7.365 -3.009 2.195 1.00 72.45 H new ATOM 0 HD12 LEU B 228 8.824 -2.688 3.162 1.00 72.45 H new ATOM 0 HD13 LEU B 228 7.616 -1.404 2.920 1.00 72.45 H new ATOM 0 HD21 LEU B 228 7.124 -2.040 -0.073 1.00 31.41 H new ATOM 0 HD22 LEU B 228 7.367 -0.386 0.537 1.00 31.41 H new ATOM 0 HD23 LEU B 228 8.410 -1.018 -0.759 1.00 31.41 H new ATOM 1300 N LYS B 229 12.668 -2.135 0.842 1.00 71.42 N ATOM 1301 CA LYS B 229 13.429 -3.190 0.153 1.00 61.24 C ATOM 1302 C LYS B 229 14.699 -3.585 0.933 1.00 72.34 C ATOM 1303 O LYS B 229 15.485 -4.413 0.476 1.00 35.15 O ATOM 1304 CB LYS B 229 13.813 -2.723 -1.263 1.00 40.11 C ATOM 1305 CG LYS B 229 14.784 -1.543 -1.286 1.00 20.22 C ATOM 1306 CD LYS B 229 15.129 -1.105 -2.711 1.00 1.11 C ATOM 1307 CE LYS B 229 16.133 0.044 -2.712 1.00 25.04 C ATOM 1308 NZ LYS B 229 16.435 0.534 -4.084 1.00 3.21 N ATOM 0 H LYS B 229 12.887 -1.189 0.529 1.00 71.42 H new ATOM 0 HA LYS B 229 12.788 -4.070 0.090 1.00 61.24 H new ATOM 0 HB2 LYS B 229 14.260 -3.559 -1.801 1.00 40.11 H new ATOM 0 HB3 LYS B 229 12.907 -2.445 -1.801 1.00 40.11 H new ATOM 0 HG2 LYS B 229 14.346 -0.704 -0.746 1.00 20.22 H new ATOM 0 HG3 LYS B 229 15.699 -1.817 -0.761 1.00 20.22 H new ATOM 0 HD2 LYS B 229 15.540 -1.950 -3.264 1.00 1.11 H new ATOM 0 HD3 LYS B 229 14.221 -0.797 -3.229 1.00 1.11 H new ATOM 0 HE2 LYS B 229 15.740 0.866 -2.114 1.00 25.04 H new ATOM 0 HE3 LYS B 229 17.057 -0.284 -2.235 1.00 25.04 H new ATOM 0 HZ1 LYS B 229 17.121 1.314 -4.031 1.00 3.21 H new ATOM 0 HZ2 LYS B 229 16.835 -0.242 -4.649 1.00 3.21 H new ATOM 0 HZ3 LYS B 229 15.560 0.873 -4.532 1.00 3.21 H new ATOM 1322 N SER B 230 14.889 -2.993 2.112 1.00 22.24 N ATOM 1323 CA SER B 230 16.098 -3.235 2.920 1.00 14.23 C ATOM 1324 C SER B 230 15.835 -4.190 4.096 1.00 63.21 C ATOM 1325 O SER B 230 16.595 -5.135 4.324 1.00 13.12 O ATOM 1326 CB SER B 230 16.653 -1.907 3.454 1.00 43.22 C ATOM 1327 OG SER B 230 17.819 -2.111 4.241 1.00 31.32 O ATOM 0 H SER B 230 14.226 -2.342 2.534 1.00 22.24 H new ATOM 0 HA SER B 230 16.829 -3.709 2.265 1.00 14.23 H new ATOM 0 HB2 SER B 230 16.887 -1.247 2.619 1.00 43.22 H new ATOM 0 HB3 SER B 230 15.891 -1.407 4.052 1.00 43.22 H new ATOM 0 HG SER B 230 18.150 -1.247 4.565 1.00 31.32 H new ATOM 1333 N ARG B 231 14.759 -3.945 4.846 1.00 31.33 N ATOM 1334 CA ARG B 231 14.471 -4.725 6.063 1.00 71.32 C ATOM 1335 C ARG B 231 13.631 -5.987 5.780 1.00 21.25 C ATOM 1336 O ARG B 231 13.184 -6.665 6.708 1.00 21.13 O ATOM 1337 CB ARG B 231 13.751 -3.847 7.099 1.00 52.20 C ATOM 1338 CG ARG B 231 12.345 -3.418 6.684 1.00 52.31 C ATOM 1339 CD ARG B 231 11.606 -2.724 7.824 1.00 53.32 C ATOM 1340 NE ARG B 231 10.232 -2.377 7.458 1.00 12.34 N ATOM 1341 CZ ARG B 231 9.210 -2.491 8.263 1.00 3.24 C ATOM 1342 NH1 ARG B 231 9.353 -3.018 9.436 1.00 50.11 N ATOM 1343 NH2 ARG B 231 8.037 -2.107 7.883 1.00 25.51 N ATOM 0 H ARG B 231 14.073 -3.219 4.639 1.00 31.33 H new ATOM 0 HA ARG B 231 15.432 -5.056 6.457 1.00 71.32 H new ATOM 0 HB2 ARG B 231 13.690 -4.392 8.041 1.00 52.20 H new ATOM 0 HB3 ARG B 231 14.351 -2.956 7.284 1.00 52.20 H new ATOM 0 HG2 ARG B 231 12.408 -2.745 5.829 1.00 52.31 H new ATOM 0 HG3 ARG B 231 11.778 -4.292 6.362 1.00 52.31 H new ATOM 0 HD2 ARG B 231 11.595 -3.375 8.698 1.00 53.32 H new ATOM 0 HD3 ARG B 231 12.145 -1.820 8.107 1.00 53.32 H new ATOM 0 HE ARG B 231 10.062 -2.024 6.516 1.00 12.34 H new ATOM 0 HH11 ARG B 231 10.269 -3.348 9.738 1.00 50.11 H new ATOM 0 HH12 ARG B 231 8.549 -3.103 10.058 1.00 50.11 H new ATOM 0 HH21 ARG B 231 7.906 -1.713 6.951 1.00 25.51 H new ATOM 0 HH22 ARG B 231 7.241 -2.198 8.515 1.00 25.51 H new ATOM 1357 N VAL B 232 13.426 -6.312 4.508 1.00 23.35 N ATOM 1358 CA VAL B 232 12.625 -7.487 4.138 1.00 24.34 C ATOM 1359 C VAL B 232 13.506 -8.671 3.700 1.00 34.41 C ATOM 1360 O VAL B 232 14.552 -8.484 3.075 1.00 51.15 O ATOM 1361 CB VAL B 232 11.621 -7.158 3.004 1.00 24.32 C ATOM 1362 CG1 VAL B 232 10.607 -6.116 3.470 1.00 41.11 C ATOM 1363 CG2 VAL B 232 12.350 -6.686 1.746 1.00 21.55 C ATOM 0 H VAL B 232 13.798 -5.787 3.717 1.00 23.35 H new ATOM 0 HA VAL B 232 12.074 -7.772 5.034 1.00 24.34 H new ATOM 0 HB VAL B 232 11.081 -8.071 2.753 1.00 24.32 H new ATOM 0 HG11 VAL B 232 9.911 -5.898 2.660 1.00 41.11 H new ATOM 0 HG12 VAL B 232 10.056 -6.502 4.328 1.00 41.11 H new ATOM 0 HG13 VAL B 232 11.129 -5.203 3.755 1.00 41.11 H new ATOM 0 HG21 VAL B 232 11.622 -6.462 0.966 1.00 21.55 H new ATOM 0 HG22 VAL B 232 12.925 -5.789 1.974 1.00 21.55 H new ATOM 0 HG23 VAL B 232 13.023 -7.470 1.400 1.00 21.55 H new ATOM 1373 N PRO B 233 13.104 -9.910 4.048 1.00 23.43 N ATOM 1374 CA PRO B 233 13.795 -11.129 3.592 1.00 52.13 C ATOM 1375 C PRO B 233 13.749 -11.302 2.063 1.00 23.50 C ATOM 1376 O PRO B 233 12.784 -10.901 1.406 1.00 30.43 O ATOM 1377 CB PRO B 233 13.021 -12.268 4.282 1.00 1.42 C ATOM 1378 CG PRO B 233 12.287 -11.613 5.405 1.00 55.24 C ATOM 1379 CD PRO B 233 11.965 -10.224 4.928 1.00 42.44 C ATOM 0 HA PRO B 233 14.856 -11.103 3.842 1.00 52.13 H new ATOM 0 HB2 PRO B 233 12.332 -12.753 3.590 1.00 1.42 H new ATOM 0 HB3 PRO B 233 13.698 -13.039 4.650 1.00 1.42 H new ATOM 0 HG2 PRO B 233 11.378 -12.162 5.652 1.00 55.24 H new ATOM 0 HG3 PRO B 233 12.897 -11.585 6.308 1.00 55.24 H new ATOM 0 HD2 PRO B 233 11.017 -10.190 4.391 1.00 42.44 H new ATOM 0 HD3 PRO B 233 11.887 -9.520 5.756 1.00 42.44 H new ATOM 1387 N ALA B 234 14.785 -11.933 1.505 1.00 75.23 N ATOM 1388 CA ALA B 234 14.911 -12.112 0.051 1.00 52.20 C ATOM 1389 C ALA B 234 13.704 -12.846 -0.565 1.00 43.31 C ATOM 1390 O ALA B 234 13.409 -12.688 -1.750 1.00 72.12 O ATOM 1391 CB ALA B 234 16.200 -12.861 -0.265 1.00 71.25 C ATOM 0 H ALA B 234 15.556 -12.332 2.040 1.00 75.23 H new ATOM 0 HA ALA B 234 14.938 -11.119 -0.397 1.00 52.20 H new ATOM 0 HB1 ALA B 234 16.290 -12.992 -1.343 1.00 71.25 H new ATOM 0 HB2 ALA B 234 17.052 -12.290 0.104 1.00 71.25 H new ATOM 0 HB3 ALA B 234 16.181 -13.838 0.219 1.00 71.25 H new ATOM 1397 N ASN B 235 13.009 -13.649 0.243 1.00 54.11 N ATOM 1398 CA ASN B 235 11.849 -14.415 -0.235 1.00 50.53 C ATOM 1399 C ASN B 235 10.544 -13.597 -0.167 1.00 34.22 C ATOM 1400 O ASN B 235 9.681 -13.718 -1.039 1.00 14.32 O ATOM 1401 CB ASN B 235 11.698 -15.705 0.582 1.00 34.05 C ATOM 1402 CG ASN B 235 12.925 -16.603 0.515 1.00 55.34 C ATOM 1403 OD1 ASN B 235 13.250 -17.304 1.468 1.00 5.20 O ATOM 1404 ND2 ASN B 235 13.613 -16.602 -0.608 1.00 44.31 N ATOM 0 H ASN B 235 13.226 -13.788 1.230 1.00 54.11 H new ATOM 0 HA ASN B 235 12.030 -14.660 -1.282 1.00 50.53 H new ATOM 0 HB2 ASN B 235 11.500 -15.448 1.623 1.00 34.05 H new ATOM 0 HB3 ASN B 235 10.831 -16.258 0.220 1.00 34.05 H new ATOM 0 HD21 ASN B 235 14.438 -17.194 -0.701 1.00 44.31 H new ATOM 0 HD22 ASN B 235 13.320 -16.009 -1.385 1.00 44.31 H new ATOM 1411 N THR B 236 10.408 -12.763 0.863 1.00 23.20 N ATOM 1412 CA THR B 236 9.158 -12.026 1.115 1.00 72.14 C ATOM 1413 C THR B 236 8.752 -11.122 -0.064 1.00 51.42 C ATOM 1414 O THR B 236 7.582 -11.091 -0.453 1.00 2.34 O ATOM 1415 CB THR B 236 9.270 -11.160 2.392 1.00 31.52 C ATOM 1416 OG1 THR B 236 9.703 -11.972 3.495 1.00 30.03 O ATOM 1417 CG2 THR B 236 7.932 -10.512 2.739 1.00 1.11 C ATOM 0 H THR B 236 11.147 -12.577 1.541 1.00 23.20 H new ATOM 0 HA THR B 236 8.386 -12.785 1.245 1.00 72.14 H new ATOM 0 HB THR B 236 9.998 -10.372 2.201 1.00 31.52 H new ATOM 0 HG1 THR B 236 9.337 -11.612 4.330 1.00 30.03 H new ATOM 0 HG21 THR B 236 8.042 -9.910 3.641 1.00 1.11 H new ATOM 0 HG22 THR B 236 7.611 -9.875 1.914 1.00 1.11 H new ATOM 0 HG23 THR B 236 7.185 -11.288 2.910 1.00 1.11 H new ATOM 1425 N SER B 237 9.723 -10.394 -0.623 1.00 62.04 N ATOM 1426 CA SER B 237 9.480 -9.474 -1.756 1.00 65.24 C ATOM 1427 C SER B 237 8.706 -8.214 -1.323 1.00 52.32 C ATOM 1428 O SER B 237 8.451 -8.003 -0.137 1.00 33.33 O ATOM 1429 CB SER B 237 8.739 -10.187 -2.905 1.00 61.43 C ATOM 1430 OG SER B 237 9.470 -11.315 -3.367 1.00 42.03 O ATOM 0 H SER B 237 10.694 -10.419 -0.312 1.00 62.04 H new ATOM 0 HA SER B 237 10.458 -9.156 -2.116 1.00 65.24 H new ATOM 0 HB2 SER B 237 7.753 -10.504 -2.564 1.00 61.43 H new ATOM 0 HB3 SER B 237 8.583 -9.490 -3.728 1.00 61.43 H new ATOM 0 HG SER B 237 9.510 -11.991 -2.659 1.00 42.03 H new ATOM 1436 N MET B 238 8.347 -7.371 -2.296 1.00 24.02 N ATOM 1437 CA MET B 238 7.690 -6.083 -2.012 1.00 42.44 C ATOM 1438 C MET B 238 6.169 -6.223 -1.815 1.00 43.24 C ATOM 1439 O MET B 238 5.659 -6.078 -0.701 1.00 21.12 O ATOM 1440 CB MET B 238 7.965 -5.086 -3.151 1.00 43.14 C ATOM 1441 CG MET B 238 9.440 -4.757 -3.350 1.00 55.33 C ATOM 1442 SD MET B 238 9.704 -3.600 -4.713 1.00 2.23 S ATOM 1443 CE MET B 238 11.484 -3.390 -4.647 1.00 51.00 C ATOM 0 H MET B 238 8.498 -7.554 -3.288 1.00 24.02 H new ATOM 0 HA MET B 238 8.112 -5.715 -1.077 1.00 42.44 H new ATOM 0 HB2 MET B 238 7.567 -5.494 -4.080 1.00 43.14 H new ATOM 0 HB3 MET B 238 7.422 -4.163 -2.950 1.00 43.14 H new ATOM 0 HG2 MET B 238 9.843 -4.331 -2.431 1.00 55.33 H new ATOM 0 HG3 MET B 238 9.993 -5.676 -3.544 1.00 55.33 H new ATOM 0 HE1 MET B 238 11.752 -2.420 -5.066 1.00 51.00 H new ATOM 0 HE2 MET B 238 11.818 -3.442 -3.611 1.00 51.00 H new ATOM 0 HE3 MET B 238 11.965 -4.180 -5.224 1.00 51.00 H new ATOM 1453 N SER B 239 5.455 -6.507 -2.905 1.00 14.12 N ATOM 1454 CA SER B 239 3.980 -6.543 -2.903 1.00 12.43 C ATOM 1455 C SER B 239 3.417 -7.431 -1.784 1.00 72.44 C ATOM 1456 O SER B 239 2.498 -7.031 -1.068 1.00 0.42 O ATOM 1457 CB SER B 239 3.454 -7.029 -4.262 1.00 23.25 C ATOM 1458 OG SER B 239 3.968 -6.241 -5.321 1.00 11.13 O ATOM 0 H SER B 239 5.873 -6.718 -3.811 1.00 14.12 H new ATOM 0 HA SER B 239 3.640 -5.524 -2.719 1.00 12.43 H new ATOM 0 HB2 SER B 239 3.734 -8.072 -4.412 1.00 23.25 H new ATOM 0 HB3 SER B 239 2.365 -6.987 -4.270 1.00 23.25 H new ATOM 0 HG SER B 239 3.277 -5.619 -5.631 1.00 11.13 H new ATOM 1464 N ALA B 240 3.974 -8.632 -1.639 1.00 42.33 N ATOM 1465 CA ALA B 240 3.546 -9.563 -0.587 1.00 65.15 C ATOM 1466 C ALA B 240 3.736 -8.969 0.821 1.00 14.24 C ATOM 1467 O ALA B 240 2.920 -9.197 1.717 1.00 1.34 O ATOM 1468 CB ALA B 240 4.301 -10.881 -0.711 1.00 3.21 C ATOM 0 H ALA B 240 4.722 -8.987 -2.234 1.00 42.33 H new ATOM 0 HA ALA B 240 2.480 -9.744 -0.724 1.00 65.15 H new ATOM 0 HB1 ALA B 240 3.975 -11.563 0.075 1.00 3.21 H new ATOM 0 HB2 ALA B 240 4.098 -11.326 -1.685 1.00 3.21 H new ATOM 0 HB3 ALA B 240 5.371 -10.698 -0.611 1.00 3.21 H new ATOM 1474 N TYR B 241 4.808 -8.196 1.007 1.00 33.21 N ATOM 1475 CA TYR B 241 5.093 -7.574 2.307 1.00 53.23 C ATOM 1476 C TYR B 241 4.116 -6.423 2.598 1.00 42.11 C ATOM 1477 O TYR B 241 3.782 -6.153 3.750 1.00 53.24 O ATOM 1478 CB TYR B 241 6.541 -7.065 2.361 1.00 53.44 C ATOM 1479 CG TYR B 241 6.972 -6.619 3.748 1.00 64.23 C ATOM 1480 CD1 TYR B 241 7.331 -7.554 4.715 1.00 15.41 C ATOM 1481 CD2 TYR B 241 7.014 -5.272 4.093 1.00 34.20 C ATOM 1482 CE1 TYR B 241 7.719 -7.162 5.981 1.00 34.41 C ATOM 1483 CE2 TYR B 241 7.402 -4.872 5.359 1.00 62.22 C ATOM 1484 CZ TYR B 241 7.754 -5.821 6.299 1.00 14.52 C ATOM 1485 OH TYR B 241 8.147 -5.431 7.562 1.00 3.43 O ATOM 0 H TYR B 241 5.491 -7.985 0.280 1.00 33.21 H new ATOM 0 HA TYR B 241 4.961 -8.337 3.074 1.00 53.23 H new ATOM 0 HB2 TYR B 241 7.209 -7.855 2.017 1.00 53.44 H new ATOM 0 HB3 TYR B 241 6.651 -6.231 1.668 1.00 53.44 H new ATOM 0 HD1 TYR B 241 7.306 -8.606 4.470 1.00 15.41 H new ATOM 0 HD2 TYR B 241 6.739 -4.527 3.361 1.00 34.20 H new ATOM 0 HE1 TYR B 241 7.994 -7.902 6.718 1.00 34.41 H new ATOM 0 HE2 TYR B 241 7.430 -3.822 5.611 1.00 62.22 H new ATOM 0 HH TYR B 241 8.784 -6.083 7.922 1.00 3.43 H new ATOM 1495 N ILE B 242 3.658 -5.743 1.551 1.00 13.54 N ATOM 1496 CA ILE B 242 2.671 -4.669 1.708 1.00 20.43 C ATOM 1497 C ILE B 242 1.259 -5.240 1.926 1.00 33.35 C ATOM 1498 O ILE B 242 0.463 -4.688 2.691 1.00 53.14 O ATOM 1499 CB ILE B 242 2.667 -3.719 0.482 1.00 32.44 C ATOM 1500 CG1 ILE B 242 4.059 -3.094 0.278 1.00 0.13 C ATOM 1501 CG2 ILE B 242 1.612 -2.626 0.651 1.00 4.05 C ATOM 1502 CD1 ILE B 242 4.523 -2.233 1.436 1.00 53.02 C ATOM 0 H ILE B 242 3.950 -5.912 0.588 1.00 13.54 H new ATOM 0 HA ILE B 242 2.960 -4.097 2.590 1.00 20.43 H new ATOM 0 HB ILE B 242 2.418 -4.305 -0.403 1.00 32.44 H new ATOM 0 HG12 ILE B 242 4.784 -3.892 0.118 1.00 0.13 H new ATOM 0 HG13 ILE B 242 4.045 -2.489 -0.629 1.00 0.13 H new ATOM 0 HG21 ILE B 242 1.625 -1.970 -0.219 1.00 4.05 H new ATOM 0 HG22 ILE B 242 0.627 -3.083 0.746 1.00 4.05 H new ATOM 0 HG23 ILE B 242 1.831 -2.045 1.547 1.00 4.05 H new ATOM 0 HD11 ILE B 242 5.511 -1.829 1.216 1.00 53.02 H new ATOM 0 HD12 ILE B 242 3.821 -1.413 1.584 1.00 53.02 H new ATOM 0 HD13 ILE B 242 4.571 -2.837 2.342 1.00 53.02 H new ATOM 1514 N ARG B 243 0.963 -6.361 1.265 1.00 74.40 N ATOM 1515 CA ARG B 243 -0.351 -7.007 1.378 1.00 32.22 C ATOM 1516 C ARG B 243 -0.681 -7.368 2.839 1.00 23.40 C ATOM 1517 O ARG B 243 -1.800 -7.144 3.305 1.00 33.33 O ATOM 1518 CB ARG B 243 -0.413 -8.259 0.487 1.00 1.11 C ATOM 1519 CG ARG B 243 -1.779 -8.947 0.493 1.00 0.33 C ATOM 1520 CD ARG B 243 -1.881 -10.030 -0.580 1.00 73.12 C ATOM 1521 NE ARG B 243 -0.943 -11.134 -0.365 1.00 30.31 N ATOM 1522 CZ ARG B 243 -0.487 -11.905 -1.320 1.00 63.52 C ATOM 1523 NH1 ARG B 243 -0.806 -11.685 -2.558 1.00 12.30 N ATOM 1524 NH2 ARG B 243 0.296 -12.894 -1.032 1.00 61.30 N ATOM 0 H ARG B 243 1.614 -6.842 0.645 1.00 74.40 H new ATOM 0 HA ARG B 243 -1.101 -6.294 1.036 1.00 32.22 H new ATOM 0 HB2 ARG B 243 -0.161 -7.980 -0.536 1.00 1.11 H new ATOM 0 HB3 ARG B 243 0.344 -8.969 0.820 1.00 1.11 H new ATOM 0 HG2 ARG B 243 -1.957 -9.390 1.473 1.00 0.33 H new ATOM 0 HG3 ARG B 243 -2.560 -8.204 0.333 1.00 0.33 H new ATOM 0 HD2 ARG B 243 -2.898 -10.422 -0.598 1.00 73.12 H new ATOM 0 HD3 ARG B 243 -1.693 -9.585 -1.557 1.00 73.12 H new ATOM 0 HE ARG B 243 -0.625 -11.313 0.588 1.00 30.31 H new ATOM 0 HH11 ARG B 243 -1.418 -10.905 -2.796 1.00 12.30 H new ATOM 0 HH12 ARG B 243 -0.445 -12.292 -3.293 1.00 12.30 H new ATOM 0 HH21 ARG B 243 0.557 -13.072 -0.062 1.00 61.30 H new ATOM 0 HH22 ARG B 243 0.652 -13.496 -1.775 1.00 61.30 H new ATOM 1538 N ARG B 244 0.299 -7.914 3.563 1.00 41.44 N ATOM 1539 CA ARG B 244 0.116 -8.231 4.988 1.00 45.34 C ATOM 1540 C ARG B 244 -0.097 -6.961 5.835 1.00 15.00 C ATOM 1541 O ARG B 244 -0.878 -6.968 6.782 1.00 31.30 O ATOM 1542 CB ARG B 244 1.311 -9.035 5.534 1.00 60.34 C ATOM 1543 CG ARG B 244 2.670 -8.431 5.198 1.00 22.41 C ATOM 1544 CD ARG B 244 3.819 -9.129 5.922 1.00 73.40 C ATOM 1545 NE ARG B 244 3.878 -8.774 7.342 1.00 72.41 N ATOM 1546 CZ ARG B 244 4.875 -9.073 8.133 1.00 4.12 C ATOM 1547 NH1 ARG B 244 5.874 -9.779 7.704 1.00 73.21 N ATOM 1548 NH2 ARG B 244 4.864 -8.672 9.362 1.00 5.11 N ATOM 0 H ARG B 244 1.221 -8.146 3.193 1.00 41.44 H new ATOM 0 HA ARG B 244 -0.784 -8.842 5.064 1.00 45.34 H new ATOM 0 HB2 ARG B 244 1.218 -9.114 6.617 1.00 60.34 H new ATOM 0 HB3 ARG B 244 1.267 -10.048 5.135 1.00 60.34 H new ATOM 0 HG2 ARG B 244 2.834 -8.491 4.122 1.00 22.41 H new ATOM 0 HG3 ARG B 244 2.668 -7.373 5.462 1.00 22.41 H new ATOM 0 HD2 ARG B 244 3.705 -10.209 5.824 1.00 73.40 H new ATOM 0 HD3 ARG B 244 4.762 -8.863 5.444 1.00 73.40 H new ATOM 0 HE ARG B 244 3.091 -8.261 7.739 1.00 72.41 H new ATOM 0 HH11 ARG B 244 5.889 -10.108 6.739 1.00 73.21 H new ATOM 0 HH12 ARG B 244 6.646 -10.005 8.332 1.00 73.21 H new ATOM 0 HH21 ARG B 244 4.079 -8.124 9.713 1.00 5.11 H new ATOM 0 HH22 ARG B 244 5.641 -8.904 9.981 1.00 5.11 H new ATOM 1562 N ILE B 245 0.592 -5.873 5.478 1.00 0.14 N ATOM 1563 CA ILE B 245 0.477 -4.608 6.216 1.00 25.11 C ATOM 1564 C ILE B 245 -0.954 -4.047 6.155 1.00 43.32 C ATOM 1565 O ILE B 245 -1.563 -3.756 7.187 1.00 0.43 O ATOM 1566 CB ILE B 245 1.471 -3.544 5.675 1.00 74.05 C ATOM 1567 CG1 ILE B 245 2.924 -4.005 5.891 1.00 22.04 C ATOM 1568 CG2 ILE B 245 1.230 -2.183 6.336 1.00 40.04 C ATOM 1569 CD1 ILE B 245 3.961 -3.039 5.353 1.00 62.44 C ATOM 0 H ILE B 245 1.234 -5.841 4.686 1.00 0.14 H new ATOM 0 HA ILE B 245 0.724 -4.828 7.255 1.00 25.11 H new ATOM 0 HB ILE B 245 1.300 -3.432 4.604 1.00 74.05 H new ATOM 0 HG12 ILE B 245 3.094 -4.149 6.958 1.00 22.04 H new ATOM 0 HG13 ILE B 245 3.062 -4.975 5.413 1.00 22.04 H new ATOM 0 HG21 ILE B 245 1.939 -1.456 5.940 1.00 40.04 H new ATOM 0 HG22 ILE B 245 0.213 -1.851 6.125 1.00 40.04 H new ATOM 0 HG23 ILE B 245 1.366 -2.273 7.414 1.00 40.04 H new ATOM 0 HD11 ILE B 245 4.959 -3.434 5.543 1.00 62.44 H new ATOM 0 HD12 ILE B 245 3.819 -2.913 4.280 1.00 62.44 H new ATOM 0 HD13 ILE B 245 3.852 -2.075 5.849 1.00 62.44 H new ATOM 1581 N ILE B 246 -1.488 -3.901 4.944 1.00 22.22 N ATOM 1582 CA ILE B 246 -2.851 -3.388 4.764 1.00 42.51 C ATOM 1583 C ILE B 246 -3.901 -4.356 5.340 1.00 41.42 C ATOM 1584 O ILE B 246 -4.864 -3.925 5.982 1.00 53.40 O ATOM 1585 CB ILE B 246 -3.165 -3.089 3.274 1.00 70.45 C ATOM 1586 CG1 ILE B 246 -2.957 -4.345 2.406 1.00 51.33 C ATOM 1587 CG2 ILE B 246 -2.300 -1.932 2.770 1.00 42.10 C ATOM 1588 CD1 ILE B 246 -3.183 -4.119 0.925 1.00 35.23 C ATOM 0 H ILE B 246 -1.004 -4.128 4.076 1.00 22.22 H new ATOM 0 HA ILE B 246 -2.904 -2.450 5.317 1.00 42.51 H new ATOM 0 HB ILE B 246 -4.212 -2.797 3.196 1.00 70.45 H new ATOM 0 HG12 ILE B 246 -1.942 -4.713 2.556 1.00 51.33 H new ATOM 0 HG13 ILE B 246 -3.633 -5.127 2.750 1.00 51.33 H new ATOM 0 HG21 ILE B 246 -2.531 -1.734 1.723 1.00 42.10 H new ATOM 0 HG22 ILE B 246 -2.505 -1.040 3.362 1.00 42.10 H new ATOM 0 HG23 ILE B 246 -1.247 -2.197 2.865 1.00 42.10 H new ATOM 0 HD11 ILE B 246 -3.017 -5.051 0.385 1.00 35.23 H new ATOM 0 HD12 ILE B 246 -4.206 -3.782 0.760 1.00 35.23 H new ATOM 0 HD13 ILE B 246 -2.489 -3.361 0.563 1.00 35.23 H new ATOM 1600 N LEU B 247 -3.699 -5.660 5.128 1.00 73.45 N ATOM 1601 CA LEU B 247 -4.577 -6.693 5.703 1.00 44.40 C ATOM 1602 C LEU B 247 -4.740 -6.495 7.220 1.00 61.12 C ATOM 1603 O LEU B 247 -5.855 -6.437 7.741 1.00 10.11 O ATOM 1604 CB LEU B 247 -4.000 -8.088 5.412 1.00 44.24 C ATOM 1605 CG LEU B 247 -4.790 -9.275 5.991 1.00 40.32 C ATOM 1606 CD1 LEU B 247 -6.183 -9.358 5.371 1.00 62.14 C ATOM 1607 CD2 LEU B 247 -4.032 -10.584 5.779 1.00 10.44 C ATOM 0 H LEU B 247 -2.935 -6.029 4.562 1.00 73.45 H new ATOM 0 HA LEU B 247 -5.561 -6.605 5.241 1.00 44.40 H new ATOM 0 HB2 LEU B 247 -3.932 -8.214 4.331 1.00 44.24 H new ATOM 0 HB3 LEU B 247 -2.983 -8.128 5.802 1.00 44.24 H new ATOM 0 HG LEU B 247 -4.903 -9.112 7.063 1.00 40.32 H new ATOM 0 HD11 LEU B 247 -6.721 -10.205 5.797 1.00 62.14 H new ATOM 0 HD12 LEU B 247 -6.730 -8.439 5.580 1.00 62.14 H new ATOM 0 HD13 LEU B 247 -6.094 -9.490 4.293 1.00 62.14 H new ATOM 0 HD21 LEU B 247 -4.608 -11.410 6.196 1.00 10.44 H new ATOM 0 HD22 LEU B 247 -3.882 -10.749 4.712 1.00 10.44 H new ATOM 0 HD23 LEU B 247 -3.064 -10.529 6.278 1.00 10.44 H new ATOM 1619 N ASN B 248 -3.613 -6.336 7.913 1.00 75.21 N ATOM 1620 CA ASN B 248 -3.607 -6.161 9.372 1.00 2.53 C ATOM 1621 C ASN B 248 -4.116 -4.770 9.801 1.00 62.04 C ATOM 1622 O ASN B 248 -3.994 -4.385 10.967 1.00 4.44 O ATOM 1623 CB ASN B 248 -2.195 -6.394 9.914 1.00 45.02 C ATOM 1624 CG ASN B 248 -1.698 -7.802 9.645 1.00 1.03 C ATOM 1625 OD1 ASN B 248 -2.470 -8.750 9.578 1.00 31.13 O ATOM 1626 ND2 ASN B 248 -0.404 -7.949 9.470 1.00 23.00 N ATOM 0 H ASN B 248 -2.686 -6.324 7.488 1.00 75.21 H new ATOM 0 HA ASN B 248 -4.293 -6.896 9.792 1.00 2.53 H new ATOM 0 HB2 ASN B 248 -1.511 -5.677 9.459 1.00 45.02 H new ATOM 0 HB3 ASN B 248 -2.185 -6.207 10.988 1.00 45.02 H new ATOM 0 HD21 ASN B 248 -0.018 -8.872 9.272 1.00 23.00 H new ATOM 0 HD22 ASN B 248 0.214 -7.140 9.532 1.00 23.00 H new ATOM 1633 N HIS B 249 -4.686 -4.017 8.863 1.00 61.40 N ATOM 1634 CA HIS B 249 -5.307 -2.728 9.181 1.00 62.23 C ATOM 1635 C HIS B 249 -6.818 -2.764 8.912 1.00 25.42 C ATOM 1636 O HIS B 249 -7.605 -2.238 9.697 1.00 54.04 O ATOM 1637 CB HIS B 249 -4.649 -1.595 8.380 1.00 12.14 C ATOM 1638 CG HIS B 249 -5.099 -0.228 8.807 1.00 70.53 C ATOM 1639 ND1 HIS B 249 -4.699 0.364 9.988 1.00 51.12 N ATOM 1640 CD2 HIS B 249 -5.921 0.666 8.205 1.00 60.41 C ATOM 1641 CE1 HIS B 249 -5.256 1.555 10.095 1.00 55.51 C ATOM 1642 NE2 HIS B 249 -5.999 1.761 9.026 1.00 44.40 N ATOM 0 H HIS B 249 -4.732 -4.274 7.877 1.00 61.40 H new ATOM 0 HA HIS B 249 -5.154 -2.536 10.243 1.00 62.23 H new ATOM 0 HB2 HIS B 249 -3.567 -1.664 8.488 1.00 12.14 H new ATOM 0 HB3 HIS B 249 -4.873 -1.730 7.322 1.00 12.14 H new ATOM 0 HD2 HIS B 249 -6.421 0.539 7.256 1.00 60.41 H new ATOM 0 HE1 HIS B 249 -5.126 2.243 10.917 1.00 55.51 H new ATOM 0 HE2 HIS B 249 -6.545 2.602 8.839 1.00 44.40 H new ATOM 1651 N LEU B 250 -7.222 -3.391 7.803 1.00 24.22 N ATOM 1652 CA LEU B 250 -8.649 -3.523 7.459 1.00 41.50 C ATOM 1653 C LEU B 250 -9.400 -4.417 8.467 1.00 12.31 C ATOM 1654 O LEU B 250 -10.611 -4.282 8.650 1.00 74.44 O ATOM 1655 CB LEU B 250 -8.821 -4.069 6.027 1.00 14.45 C ATOM 1656 CG LEU B 250 -8.669 -3.034 4.888 1.00 40.41 C ATOM 1657 CD1 LEU B 250 -9.720 -1.930 5.016 1.00 13.40 C ATOM 1658 CD2 LEU B 250 -7.263 -2.435 4.861 1.00 64.35 C ATOM 0 H LEU B 250 -6.587 -3.815 7.127 1.00 24.22 H new ATOM 0 HA LEU B 250 -9.086 -2.526 7.508 1.00 41.50 H new ATOM 0 HB2 LEU B 250 -8.090 -4.862 5.871 1.00 14.45 H new ATOM 0 HB3 LEU B 250 -9.808 -4.525 5.949 1.00 14.45 H new ATOM 0 HG LEU B 250 -8.827 -3.556 3.945 1.00 40.41 H new ATOM 0 HD11 LEU B 250 -9.595 -1.213 4.205 1.00 13.40 H new ATOM 0 HD12 LEU B 250 -10.717 -2.368 4.962 1.00 13.40 H new ATOM 0 HD13 LEU B 250 -9.599 -1.421 5.972 1.00 13.40 H new ATOM 0 HD21 LEU B 250 -7.191 -1.712 4.049 1.00 64.35 H new ATOM 0 HD22 LEU B 250 -7.062 -1.937 5.809 1.00 64.35 H new ATOM 0 HD23 LEU B 250 -6.532 -3.229 4.706 1.00 64.35 H new ATOM 1670 N GLU B 251 -8.680 -5.337 9.107 1.00 34.42 N ATOM 1671 CA GLU B 251 -9.262 -6.170 10.172 1.00 23.54 C ATOM 1672 C GLU B 251 -9.092 -5.522 11.561 1.00 21.14 C ATOM 1673 O GLU B 251 -9.531 -6.075 12.571 1.00 11.23 O ATOM 1674 CB GLU B 251 -8.616 -7.564 10.180 1.00 75.50 C ATOM 1675 CG GLU B 251 -7.107 -7.551 10.423 1.00 54.31 C ATOM 1676 CD GLU B 251 -6.561 -8.909 10.839 1.00 10.31 C ATOM 1677 OE1 GLU B 251 -6.396 -9.792 9.971 1.00 25.24 O ATOM 1678 OE2 GLU B 251 -6.300 -9.103 12.046 1.00 35.31 O ATOM 0 H GLU B 251 -7.697 -5.528 8.912 1.00 34.42 H new ATOM 0 HA GLU B 251 -10.328 -6.261 9.962 1.00 23.54 H new ATOM 0 HB2 GLU B 251 -9.092 -8.169 10.952 1.00 75.50 H new ATOM 0 HB3 GLU B 251 -8.815 -8.051 9.225 1.00 75.50 H new ATOM 0 HG2 GLU B 251 -6.601 -7.225 9.514 1.00 54.31 H new ATOM 0 HG3 GLU B 251 -6.875 -6.820 11.197 1.00 54.31 H new ATOM 1685 N ASP B 252 -8.456 -4.352 11.604 1.00 64.24 N ATOM 1686 CA ASP B 252 -8.126 -3.686 12.873 1.00 14.32 C ATOM 1687 C ASP B 252 -9.000 -2.437 13.105 1.00 44.10 C ATOM 1688 O ASP B 252 -9.936 -2.462 13.913 1.00 71.43 O ATOM 1689 CB ASP B 252 -6.635 -3.324 12.879 1.00 60.51 C ATOM 1690 CG ASP B 252 -6.169 -2.736 14.200 1.00 24.15 C ATOM 1691 OD1 ASP B 252 -6.148 -3.467 15.211 1.00 42.22 O ATOM 1692 OD2 ASP B 252 -5.791 -1.548 14.225 1.00 32.00 O ATOM 0 H ASP B 252 -8.156 -3.841 10.774 1.00 64.24 H new ATOM 0 HA ASP B 252 -8.335 -4.373 13.693 1.00 14.32 H new ATOM 0 HB2 ASP B 252 -6.050 -4.217 12.659 1.00 60.51 H new ATOM 0 HB3 ASP B 252 -6.438 -2.609 12.080 1.00 60.51 H new ATOM 1697 N GLU B 253 -8.701 -1.349 12.393 1.00 31.33 N ATOM 1698 CA GLU B 253 -9.488 -0.107 12.498 1.00 0.12 C ATOM 1699 C GLU B 253 -10.087 0.297 11.136 1.00 1.22 C ATOM 1700 O GLU B 253 -11.210 -0.154 10.821 1.00 38.70 O ATOM 1701 CB GLU B 253 -8.629 1.037 13.062 1.00 34.14 C ATOM 1702 CG GLU B 253 -8.131 0.797 14.484 1.00 62.54 C ATOM 1703 CD GLU B 253 -7.480 2.031 15.088 1.00 0.40 C ATOM 1704 OE1 GLU B 253 -6.270 2.243 14.873 1.00 33.21 O ATOM 1705 OE2 GLU B 253 -8.186 2.800 15.780 1.00 62.01 O ATOM 1706 OXT GLU B 253 -9.436 1.066 10.391 1.00 38.70 O ATOM 0 H GLU B 253 -7.922 -1.297 11.737 1.00 31.33 H new ATOM 0 HA GLU B 253 -10.312 -0.298 13.186 1.00 0.12 H new ATOM 0 HB2 GLU B 253 -7.770 1.189 12.408 1.00 34.14 H new ATOM 0 HB3 GLU B 253 -9.211 1.958 13.043 1.00 34.14 H new ATOM 0 HG2 GLU B 253 -8.967 0.487 15.111 1.00 62.54 H new ATOM 0 HG3 GLU B 253 -7.414 -0.024 14.481 1.00 62.54 H new TER 1713 GLU B 253