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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.0615 (180deg=-0.972!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 37:sc= -0.453 USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0637) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -169:sc=-0.00992 (180deg=-0.151) 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 -170:sc=-0.00623 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 157:sc= -0.219 (180deg=-0.896) USER MOD Single : A 39 SER OG : rot 180:sc= -1.8! USER MOD Single : A 41 TYR OH : rot 60:sc= 0.78 USER MOD Single : A 48 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.19) USER MOD Single : A 49 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.75) USER MOD Single : B 201 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 211 LYS NZ :NH3+ -136:sc= -0.341 (180deg=-1.52) USER MOD Single : B 213 THR OG1 : rot -73:sc= -0.0472 USER MOD Single : B 214 LYS NZ :NH3+ 143:sc= -1.19 (180deg=-3.33!) USER MOD Single : B 221 TYR OH : rot -127:sc= 0.112 USER MOD Single : B 229 LYS NZ :NH3+ -126:sc= 1 (180deg=0.547) USER MOD Single : B 230 SER OG : rot 180:sc= 0 USER MOD Single : B 235 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 236 THR OG1 : rot 180:sc= 0 USER MOD Single : B 237 SER OG : rot 180:sc= 0 USER MOD Single : B 238 MET CE :methyl -159:sc= -0.189 (180deg=-0.738) USER MOD Single : B 239 SER OG : rot 180:sc= 0 USER MOD Single : B 241 TYR OH : rot 180:sc= 0 USER MOD Single : B 248 ASN : amide:sc= 0 K(o=0,f=1) USER MOD Single : B 249 HIS : no HD1:sc= -2 K(o=-2,f=-3.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.858 14.825 5.613 1.00 22.23 N ATOM 2 CA MET A 1 17.177 13.525 6.262 1.00 4.42 C ATOM 3 C MET A 1 18.499 12.959 5.719 1.00 41.53 C ATOM 4 O MET A 1 19.219 13.647 4.999 1.00 1.15 O ATOM 5 CB MET A 1 16.039 12.526 6.022 1.00 5.34 C ATOM 6 CG MET A 1 14.671 13.042 6.452 1.00 20.22 C ATOM 7 SD MET A 1 14.138 14.464 5.478 1.00 60.40 S ATOM 8 CE MET A 1 12.530 14.800 6.196 1.00 72.02 C ATOM 0 H1 MET A 1 15.854 15.051 5.763 1.00 22.23 H new ATOM 0 H2 MET A 1 17.447 15.574 6.029 1.00 22.23 H new ATOM 0 H3 MET A 1 17.049 14.760 4.593 1.00 22.23 H new ATOM 0 HA MET A 1 17.287 13.690 7.334 1.00 4.42 H new ATOM 0 HB2 MET A 1 16.006 12.274 4.962 1.00 5.34 H new ATOM 0 HB3 MET A 1 16.256 11.604 6.562 1.00 5.34 H new ATOM 0 HG2 MET A 1 13.937 12.242 6.355 1.00 20.22 H new ATOM 0 HG3 MET A 1 14.704 13.318 7.506 1.00 20.22 H new ATOM 0 HE1 MET A 1 12.079 15.656 5.694 1.00 72.02 H new ATOM 0 HE2 MET A 1 11.888 13.928 6.075 1.00 72.02 H new ATOM 0 HE3 MET A 1 12.644 15.021 7.257 1.00 72.02 H new ATOM 20 N VAL A 2 18.818 11.706 6.062 1.00 70.02 N ATOM 21 CA VAL A 2 20.057 11.074 5.580 1.00 72.14 C ATOM 22 C VAL A 2 19.937 10.599 4.118 1.00 50.11 C ATOM 23 O VAL A 2 20.932 10.210 3.502 1.00 21.01 O ATOM 24 CB VAL A 2 20.485 9.882 6.476 1.00 71.41 C ATOM 25 CG1 VAL A 2 20.706 10.344 7.916 1.00 65.10 C ATOM 26 CG2 VAL A 2 19.459 8.750 6.420 1.00 51.23 C ATOM 0 H VAL A 2 18.246 11.114 6.664 1.00 70.02 H new ATOM 0 HA VAL A 2 20.825 11.846 5.632 1.00 72.14 H new ATOM 0 HB VAL A 2 21.428 9.494 6.091 1.00 71.41 H new ATOM 0 HG11 VAL A 2 21.006 9.494 8.529 1.00 65.10 H new ATOM 0 HG12 VAL A 2 21.489 11.102 7.939 1.00 65.10 H new ATOM 0 HG13 VAL A 2 19.781 10.766 8.309 1.00 65.10 H new ATOM 0 HG21 VAL A 2 19.787 7.929 7.058 1.00 51.23 H new ATOM 0 HG22 VAL A 2 18.493 9.117 6.768 1.00 51.23 H new ATOM 0 HG23 VAL A 2 19.364 8.396 5.394 1.00 51.23 H new ATOM 36 N GLY A 3 18.721 10.625 3.566 1.00 30.45 N ATOM 37 CA GLY A 3 18.520 10.243 2.169 1.00 45.01 C ATOM 38 C GLY A 3 17.067 9.905 1.827 1.00 3.13 C ATOM 39 O GLY A 3 16.735 8.740 1.600 1.00 53.12 O ATOM 0 H GLY A 3 17.872 10.903 4.059 1.00 30.45 H new ATOM 0 HA2 GLY A 3 18.855 11.058 1.527 1.00 45.01 H new ATOM 0 HA3 GLY A 3 19.147 9.381 1.943 1.00 45.01 H new ATOM 43 N ARG A 4 16.207 10.928 1.796 1.00 31.34 N ATOM 44 CA ARG A 4 14.789 10.760 1.426 1.00 33.15 C ATOM 45 C ARG A 4 14.074 12.119 1.273 1.00 51.11 C ATOM 46 O ARG A 4 14.690 13.175 1.430 1.00 25.15 O ATOM 47 CB ARG A 4 14.041 9.900 2.462 1.00 51.23 C ATOM 48 CG ARG A 4 14.098 10.435 3.889 1.00 24.45 C ATOM 49 CD ARG A 4 13.140 9.688 4.818 1.00 53.13 C ATOM 50 NE ARG A 4 13.347 8.240 4.791 1.00 5.15 N ATOM 51 CZ ARG A 4 12.825 7.404 5.648 1.00 20.34 C ATOM 52 NH1 ARG A 4 12.127 7.831 6.652 1.00 25.42 N ATOM 53 NH2 ARG A 4 13.029 6.135 5.508 1.00 71.34 N ATOM 0 H ARG A 4 16.466 11.888 2.023 1.00 31.34 H new ATOM 0 HA ARG A 4 14.775 10.250 0.463 1.00 33.15 H new ATOM 0 HB2 ARG A 4 12.997 9.817 2.160 1.00 51.23 H new ATOM 0 HB3 ARG A 4 14.458 8.893 2.448 1.00 51.23 H new ATOM 0 HG2 ARG A 4 15.116 10.346 4.269 1.00 24.45 H new ATOM 0 HG3 ARG A 4 13.849 11.496 3.889 1.00 24.45 H new ATOM 0 HD2 ARG A 4 13.271 10.051 5.837 1.00 53.13 H new ATOM 0 HD3 ARG A 4 12.113 9.910 4.530 1.00 53.13 H new ATOM 0 HE ARG A 4 13.939 7.858 4.053 1.00 5.15 H new ATOM 0 HH11 ARG A 4 11.979 8.832 6.781 1.00 25.42 H new ATOM 0 HH12 ARG A 4 11.725 7.166 7.313 1.00 25.42 H new ATOM 0 HH21 ARG A 4 13.595 5.792 4.732 1.00 71.34 H new ATOM 0 HH22 ARG A 4 12.624 5.477 6.174 1.00 71.34 H new ATOM 67 N ARG A 5 12.772 12.062 0.958 1.00 23.34 N ATOM 68 CA ARG A 5 11.907 13.253 0.832 1.00 14.23 C ATOM 69 C ARG A 5 12.179 14.007 -0.488 1.00 44.41 C ATOM 70 O ARG A 5 13.100 14.824 -0.573 1.00 75.21 O ATOM 71 CB ARG A 5 12.081 14.198 2.046 1.00 74.41 C ATOM 72 CG ARG A 5 10.819 14.970 2.451 1.00 22.32 C ATOM 73 CD ARG A 5 10.239 15.812 1.315 1.00 73.32 C ATOM 74 NE ARG A 5 11.208 16.762 0.775 1.00 0.11 N ATOM 75 CZ ARG A 5 10.892 17.795 0.041 1.00 10.50 C ATOM 76 NH1 ARG A 5 9.655 18.053 -0.245 1.00 12.22 N ATOM 77 NH2 ARG A 5 11.818 18.569 -0.411 1.00 74.12 N ATOM 0 H ARG A 5 12.283 11.185 0.782 1.00 23.34 H new ATOM 0 HA ARG A 5 10.873 12.907 0.815 1.00 14.23 H new ATOM 0 HB2 ARG A 5 12.419 13.610 2.900 1.00 74.41 H new ATOM 0 HB3 ARG A 5 12.870 14.915 1.820 1.00 74.41 H new ATOM 0 HG2 ARG A 5 10.063 14.264 2.794 1.00 22.32 H new ATOM 0 HG3 ARG A 5 11.053 15.620 3.294 1.00 22.32 H new ATOM 0 HD2 ARG A 5 9.896 15.154 0.517 1.00 73.32 H new ATOM 0 HD3 ARG A 5 9.366 16.354 1.678 1.00 73.32 H new ATOM 0 HE ARG A 5 12.194 16.609 0.984 1.00 0.11 H new ATOM 0 HH11 ARG A 5 8.913 17.446 0.104 1.00 12.22 H new ATOM 0 HH12 ARG A 5 9.423 18.863 -0.819 1.00 12.22 H new ATOM 0 HH21 ARG A 5 12.796 18.374 -0.195 1.00 74.12 H new ATOM 0 HH22 ARG A 5 11.573 19.376 -0.984 1.00 74.12 H new ATOM 91 N PRO A 6 11.376 13.737 -1.538 1.00 42.45 N ATOM 92 CA PRO A 6 11.520 14.384 -2.841 1.00 4.13 C ATOM 93 C PRO A 6 10.613 15.618 -3.018 1.00 12.55 C ATOM 94 O PRO A 6 9.466 15.641 -2.562 1.00 15.15 O ATOM 95 CB PRO A 6 11.095 13.261 -3.789 1.00 64.43 C ATOM 96 CG PRO A 6 10.041 12.501 -3.038 1.00 13.12 C ATOM 97 CD PRO A 6 10.274 12.756 -1.560 1.00 54.43 C ATOM 0 HA PRO A 6 12.524 14.776 -3.004 1.00 4.13 H new ATOM 0 HB2 PRO A 6 10.703 13.661 -4.724 1.00 64.43 H new ATOM 0 HB3 PRO A 6 11.938 12.619 -4.045 1.00 64.43 H new ATOM 0 HG2 PRO A 6 9.045 12.830 -3.333 1.00 13.12 H new ATOM 0 HG3 PRO A 6 10.103 11.436 -3.259 1.00 13.12 H new ATOM 0 HD2 PRO A 6 9.380 13.149 -1.077 1.00 54.43 H new ATOM 0 HD3 PRO A 6 10.544 11.840 -1.034 1.00 54.43 H new ATOM 105 N GLY A 7 11.129 16.643 -3.696 1.00 44.22 N ATOM 106 CA GLY A 7 10.318 17.817 -4.015 1.00 31.21 C ATOM 107 C GLY A 7 9.384 17.568 -5.196 1.00 63.22 C ATOM 108 O GLY A 7 9.487 18.223 -6.236 1.00 33.34 O ATOM 0 H GLY A 7 12.092 16.685 -4.031 1.00 44.22 H new ATOM 0 HA2 GLY A 7 9.730 18.098 -3.142 1.00 31.21 H new ATOM 0 HA3 GLY A 7 10.973 18.658 -4.243 1.00 31.21 H new ATOM 112 N GLY A 8 8.464 16.614 -5.035 1.00 54.53 N ATOM 113 CA GLY A 8 7.625 16.177 -6.147 1.00 34.01 C ATOM 114 C GLY A 8 6.212 16.760 -6.147 1.00 11.44 C ATOM 115 O GLY A 8 6.008 17.943 -5.866 1.00 52.34 O ATOM 0 H GLY A 8 8.284 16.135 -4.153 1.00 54.53 H new ATOM 0 HA2 GLY A 8 8.115 16.447 -7.082 1.00 34.01 H new ATOM 0 HA3 GLY A 8 7.555 15.089 -6.126 1.00 34.01 H new ATOM 119 N GLY A 9 5.238 15.911 -6.466 1.00 30.03 N ATOM 120 CA GLY A 9 3.859 16.344 -6.664 1.00 0.00 C ATOM 121 C GLY A 9 3.182 15.538 -7.768 1.00 71.42 C ATOM 122 O GLY A 9 1.979 15.269 -7.723 1.00 61.03 O ATOM 0 H GLY A 9 5.382 14.909 -6.594 1.00 30.03 H new ATOM 0 HA2 GLY A 9 3.302 16.231 -5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.841 17.403 -6.920 1.00 0.00 H new ATOM 126 N LEU A 10 3.977 15.161 -8.772 1.00 25.22 N ATOM 127 CA LEU A 10 3.531 14.260 -9.843 1.00 4.12 C ATOM 128 C LEU A 10 4.349 12.954 -9.840 1.00 20.02 C ATOM 129 O LEU A 10 3.802 11.863 -10.035 1.00 72.32 O ATOM 130 CB LEU A 10 3.661 14.954 -11.209 1.00 31.21 C ATOM 131 CG LEU A 10 2.810 16.226 -11.388 1.00 75.44 C ATOM 132 CD1 LEU A 10 3.062 16.856 -12.755 1.00 65.25 C ATOM 133 CD2 LEU A 10 1.325 15.915 -11.203 1.00 4.33 C ATOM 0 H LEU A 10 4.945 15.469 -8.868 1.00 25.22 H new ATOM 0 HA LEU A 10 2.485 14.013 -9.664 1.00 4.12 H new ATOM 0 HB2 LEU A 10 4.708 15.212 -11.368 1.00 31.21 H new ATOM 0 HB3 LEU A 10 3.387 14.242 -11.987 1.00 31.21 H new ATOM 0 HG LEU A 10 3.106 16.943 -10.622 1.00 75.44 H new ATOM 0 HD11 LEU A 10 2.451 17.753 -12.861 1.00 65.25 H new ATOM 0 HD12 LEU A 10 4.115 17.122 -12.845 1.00 65.25 H new ATOM 0 HD13 LEU A 10 2.800 16.144 -13.538 1.00 65.25 H new ATOM 0 HD21 LEU A 10 0.743 16.827 -11.334 1.00 4.33 H new ATOM 0 HD22 LEU A 10 1.013 15.177 -11.942 1.00 4.33 H new ATOM 0 HD23 LEU A 10 1.158 15.519 -10.201 1.00 4.33 H new ATOM 145 N LYS A 11 5.663 13.076 -9.631 1.00 12.12 N ATOM 146 CA LYS A 11 6.562 11.908 -9.593 1.00 51.52 C ATOM 147 C LYS A 11 6.988 11.559 -8.154 1.00 52.25 C ATOM 148 O LYS A 11 7.848 10.705 -7.946 1.00 60.01 O ATOM 149 CB LYS A 11 7.819 12.172 -10.441 1.00 14.14 C ATOM 150 CG LYS A 11 8.724 13.266 -9.876 1.00 40.10 C ATOM 151 CD LYS A 11 10.062 13.345 -10.611 1.00 44.00 C ATOM 152 CE LYS A 11 9.895 13.756 -12.069 1.00 4.01 C ATOM 153 NZ LYS A 11 11.205 13.889 -12.762 1.00 55.21 N ATOM 0 H LYS A 11 6.132 13.970 -9.485 1.00 12.12 H new ATOM 0 HA LYS A 11 6.008 11.063 -10.002 1.00 51.52 H new ATOM 0 HB2 LYS A 11 8.390 11.248 -10.525 1.00 14.14 H new ATOM 0 HB3 LYS A 11 7.514 12.450 -11.450 1.00 14.14 H new ATOM 0 HG2 LYS A 11 8.216 14.228 -9.946 1.00 40.10 H new ATOM 0 HG3 LYS A 11 8.903 13.076 -8.818 1.00 40.10 H new ATOM 0 HD2 LYS A 11 10.710 14.061 -10.106 1.00 44.00 H new ATOM 0 HD3 LYS A 11 10.559 12.376 -10.563 1.00 44.00 H new ATOM 0 HE2 LYS A 11 9.284 13.017 -12.587 1.00 4.01 H new ATOM 0 HE3 LYS A 11 9.360 14.704 -12.120 1.00 4.01 H new ATOM 0 HZ1 LYS A 11 11.048 14.170 -13.751 1.00 55.21 H new ATOM 0 HZ2 LYS A 11 11.779 14.613 -12.284 1.00 55.21 H new ATOM 0 HZ3 LYS A 11 11.705 12.978 -12.736 1.00 55.21 H new ATOM 167 N ASP A 12 6.381 12.221 -7.169 1.00 5.11 N ATOM 168 CA ASP A 12 6.740 12.018 -5.757 1.00 54.03 C ATOM 169 C ASP A 12 6.379 10.601 -5.297 1.00 4.11 C ATOM 170 O ASP A 12 7.098 9.980 -4.518 1.00 10.14 O ATOM 171 CB ASP A 12 6.016 13.051 -4.881 1.00 72.42 C ATOM 172 CG ASP A 12 4.505 12.943 -4.999 1.00 51.14 C ATOM 173 OD1 ASP A 12 3.995 13.046 -6.133 1.00 11.33 O ATOM 174 OD2 ASP A 12 3.825 12.738 -3.970 1.00 54.25 O ATOM 0 H ASP A 12 5.638 12.903 -7.318 1.00 5.11 H new ATOM 0 HA ASP A 12 7.818 12.147 -5.656 1.00 54.03 H new ATOM 0 HB2 ASP A 12 6.309 12.912 -3.840 1.00 72.42 H new ATOM 0 HB3 ASP A 12 6.331 14.054 -5.169 1.00 72.42 H new ATOM 179 N THR A 13 5.251 10.103 -5.790 1.00 2.22 N ATOM 180 CA THR A 13 4.763 8.766 -5.442 1.00 10.22 C ATOM 181 C THR A 13 4.708 7.846 -6.667 1.00 12.34 C ATOM 182 O THR A 13 4.091 8.176 -7.685 1.00 60.40 O ATOM 183 CB THR A 13 3.359 8.832 -4.796 1.00 51.15 C ATOM 184 OG1 THR A 13 2.451 9.577 -5.630 1.00 2.13 O ATOM 185 CG2 THR A 13 3.419 9.470 -3.418 1.00 3.03 C ATOM 0 H THR A 13 4.649 10.609 -6.439 1.00 2.22 H new ATOM 0 HA THR A 13 5.472 8.354 -4.724 1.00 10.22 H new ATOM 0 HB THR A 13 2.997 7.809 -4.693 1.00 51.15 H new ATOM 0 HG1 THR A 13 2.640 9.386 -6.572 1.00 2.13 H new ATOM 0 HG21 THR A 13 2.418 9.503 -2.988 1.00 3.03 H new ATOM 0 HG22 THR A 13 4.072 8.882 -2.773 1.00 3.03 H new ATOM 0 HG23 THR A 13 3.811 10.484 -3.503 1.00 3.03 H new ATOM 193 N LYS A 14 5.358 6.691 -6.564 1.00 1.22 N ATOM 194 CA LYS A 14 5.360 5.703 -7.645 1.00 0.02 C ATOM 195 C LYS A 14 4.107 4.810 -7.573 1.00 21.33 C ATOM 196 O LYS A 14 3.736 4.337 -6.496 1.00 70.13 O ATOM 197 CB LYS A 14 6.624 4.831 -7.569 1.00 45.11 C ATOM 198 CG LYS A 14 7.937 5.619 -7.591 1.00 14.40 C ATOM 199 CD LYS A 14 8.103 6.450 -8.868 1.00 72.33 C ATOM 200 CE LYS A 14 7.990 5.597 -10.134 1.00 54.43 C ATOM 201 NZ LYS A 14 8.944 4.456 -10.135 1.00 61.24 N ATOM 0 H LYS A 14 5.893 6.413 -5.741 1.00 1.22 H new ATOM 0 HA LYS A 14 5.352 6.240 -8.594 1.00 0.02 H new ATOM 0 HB2 LYS A 14 6.586 4.236 -6.656 1.00 45.11 H new ATOM 0 HB3 LYS A 14 6.620 4.132 -8.405 1.00 45.11 H new ATOM 0 HG2 LYS A 14 7.975 6.279 -6.725 1.00 14.40 H new ATOM 0 HG3 LYS A 14 8.774 4.926 -7.501 1.00 14.40 H new ATOM 0 HD2 LYS A 14 7.345 7.233 -8.891 1.00 72.33 H new ATOM 0 HD3 LYS A 14 9.073 6.947 -8.852 1.00 72.33 H new ATOM 0 HE2 LYS A 14 6.972 5.217 -10.223 1.00 54.43 H new ATOM 0 HE3 LYS A 14 8.174 6.222 -11.008 1.00 54.43 H new ATOM 0 HZ1 LYS A 14 8.926 3.990 -11.064 1.00 61.24 H new ATOM 0 HZ2 LYS A 14 9.904 4.806 -9.941 1.00 61.24 H new ATOM 0 HZ3 LYS A 14 8.670 3.773 -9.400 1.00 61.24 H new ATOM 215 N PRO A 15 3.429 4.577 -8.714 1.00 52.23 N ATOM 216 CA PRO A 15 2.247 3.700 -8.761 1.00 10.33 C ATOM 217 C PRO A 15 2.611 2.206 -8.622 1.00 25.42 C ATOM 218 O PRO A 15 2.884 1.520 -9.610 1.00 70.32 O ATOM 219 CB PRO A 15 1.638 4.003 -10.138 1.00 4.34 C ATOM 220 CG PRO A 15 2.793 4.453 -10.972 1.00 22.23 C ATOM 221 CD PRO A 15 3.744 5.157 -10.037 1.00 33.11 C ATOM 0 HA PRO A 15 1.562 3.887 -7.934 1.00 10.33 H new ATOM 0 HB2 PRO A 15 1.162 3.120 -10.564 1.00 4.34 H new ATOM 0 HB3 PRO A 15 0.873 4.776 -10.071 1.00 4.34 H new ATOM 0 HG2 PRO A 15 3.279 3.604 -11.453 1.00 22.23 H new ATOM 0 HG3 PRO A 15 2.462 5.123 -11.766 1.00 22.23 H new ATOM 0 HD2 PRO A 15 4.783 4.980 -10.315 1.00 33.11 H new ATOM 0 HD3 PRO A 15 3.591 6.236 -10.048 1.00 33.11 H new ATOM 229 N VAL A 16 2.640 1.719 -7.382 1.00 34.40 N ATOM 230 CA VAL A 16 2.976 0.318 -7.089 1.00 15.30 C ATOM 231 C VAL A 16 1.717 -0.567 -7.065 1.00 23.42 C ATOM 232 O VAL A 16 0.798 -0.335 -6.281 1.00 75.32 O ATOM 233 CB VAL A 16 3.708 0.197 -5.727 1.00 64.15 C ATOM 234 CG1 VAL A 16 4.097 -1.254 -5.438 1.00 32.21 C ATOM 235 CG2 VAL A 16 4.933 1.115 -5.687 1.00 1.11 C ATOM 0 H VAL A 16 2.433 2.277 -6.554 1.00 34.40 H new ATOM 0 HA VAL A 16 3.635 -0.026 -7.886 1.00 15.30 H new ATOM 0 HB VAL A 16 3.020 0.517 -4.944 1.00 64.15 H new ATOM 0 HG11 VAL A 16 4.609 -1.309 -4.477 1.00 32.21 H new ATOM 0 HG12 VAL A 16 3.200 -1.872 -5.407 1.00 32.21 H new ATOM 0 HG13 VAL A 16 4.760 -1.616 -6.223 1.00 32.21 H new ATOM 0 HG21 VAL A 16 5.432 1.015 -4.723 1.00 1.11 H new ATOM 0 HG22 VAL A 16 5.623 0.836 -6.483 1.00 1.11 H new ATOM 0 HG23 VAL A 16 4.617 2.149 -5.826 1.00 1.11 H new ATOM 245 N VAL A 17 1.685 -1.584 -7.923 1.00 11.22 N ATOM 246 CA VAL A 17 0.535 -2.494 -8.000 1.00 35.52 C ATOM 247 C VAL A 17 0.685 -3.700 -7.050 1.00 24.34 C ATOM 248 O VAL A 17 1.612 -4.505 -7.176 1.00 20.22 O ATOM 249 CB VAL A 17 0.305 -2.991 -9.454 1.00 62.45 C ATOM 250 CG1 VAL A 17 1.553 -3.675 -10.011 1.00 31.42 C ATOM 251 CG2 VAL A 17 -0.912 -3.916 -9.523 1.00 42.12 C ATOM 0 H VAL A 17 2.438 -1.802 -8.575 1.00 11.22 H new ATOM 0 HA VAL A 17 -0.336 -1.921 -7.682 1.00 35.52 H new ATOM 0 HB VAL A 17 0.104 -2.121 -10.079 1.00 62.45 H new ATOM 0 HG11 VAL A 17 1.360 -4.011 -11.030 1.00 31.42 H new ATOM 0 HG12 VAL A 17 2.384 -2.970 -10.013 1.00 31.42 H new ATOM 0 HG13 VAL A 17 1.807 -4.533 -9.388 1.00 31.42 H new ATOM 0 HG21 VAL A 17 -1.055 -4.253 -10.550 1.00 42.12 H new ATOM 0 HG22 VAL A 17 -0.750 -4.779 -8.877 1.00 42.12 H new ATOM 0 HG23 VAL A 17 -1.799 -3.376 -9.191 1.00 42.12 H new ATOM 261 N VAL A 18 -0.226 -3.803 -6.087 1.00 14.54 N ATOM 262 CA VAL A 18 -0.277 -4.946 -5.168 1.00 12.33 C ATOM 263 C VAL A 18 -1.563 -5.763 -5.385 1.00 34.45 C ATOM 264 O VAL A 18 -2.320 -5.509 -6.323 1.00 62.30 O ATOM 265 CB VAL A 18 -0.198 -4.490 -3.688 1.00 34.02 C ATOM 266 CG1 VAL A 18 1.124 -3.779 -3.409 1.00 64.21 C ATOM 267 CG2 VAL A 18 -1.384 -3.595 -3.327 1.00 72.53 C ATOM 0 H VAL A 18 -0.948 -3.103 -5.918 1.00 14.54 H new ATOM 0 HA VAL A 18 0.589 -5.572 -5.384 1.00 12.33 H new ATOM 0 HB VAL A 18 -0.244 -5.379 -3.059 1.00 34.02 H new ATOM 0 HG11 VAL A 18 1.157 -3.468 -2.365 1.00 64.21 H new ATOM 0 HG12 VAL A 18 1.952 -4.458 -3.612 1.00 64.21 H new ATOM 0 HG13 VAL A 18 1.208 -2.902 -4.051 1.00 64.21 H new ATOM 0 HG21 VAL A 18 -1.305 -3.289 -2.284 1.00 72.53 H new ATOM 0 HG22 VAL A 18 -1.381 -2.712 -3.966 1.00 72.53 H new ATOM 0 HG23 VAL A 18 -2.313 -4.145 -3.474 1.00 72.53 H new ATOM 277 N ARG A 19 -1.811 -6.751 -4.522 1.00 41.44 N ATOM 278 CA ARG A 19 -3.009 -7.593 -4.636 1.00 11.53 C ATOM 279 C ARG A 19 -3.744 -7.730 -3.293 1.00 2.34 C ATOM 280 O ARG A 19 -3.131 -8.008 -2.260 1.00 52.24 O ATOM 281 CB ARG A 19 -2.640 -8.987 -5.165 1.00 73.33 C ATOM 282 CG ARG A 19 -2.053 -8.983 -6.575 1.00 44.13 C ATOM 283 CD ARG A 19 -1.871 -10.398 -7.115 1.00 62.04 C ATOM 284 NE ARG A 19 -1.329 -10.403 -8.474 1.00 32.35 N ATOM 285 CZ ARG A 19 -1.941 -10.914 -9.510 1.00 55.14 C ATOM 286 NH1 ARG A 19 -3.116 -11.449 -9.384 1.00 73.43 N ATOM 287 NH2 ARG A 19 -1.384 -10.881 -10.676 1.00 64.32 N ATOM 0 H ARG A 19 -1.202 -6.989 -3.739 1.00 41.44 H new ATOM 0 HA ARG A 19 -3.680 -7.101 -5.341 1.00 11.53 H new ATOM 0 HB2 ARG A 19 -1.921 -9.443 -4.485 1.00 73.33 H new ATOM 0 HB3 ARG A 19 -3.531 -9.615 -5.156 1.00 73.33 H new ATOM 0 HG2 ARG A 19 -2.709 -8.421 -7.240 1.00 44.13 H new ATOM 0 HG3 ARG A 19 -1.091 -8.470 -6.567 1.00 44.13 H new ATOM 0 HD2 ARG A 19 -1.203 -10.954 -6.457 1.00 62.04 H new ATOM 0 HD3 ARG A 19 -2.830 -10.915 -7.106 1.00 62.04 H new ATOM 0 HE ARG A 19 -0.413 -9.980 -8.623 1.00 32.35 H new ATOM 0 HH11 ARG A 19 -3.570 -11.473 -8.471 1.00 73.43 H new ATOM 0 HH12 ARG A 19 -3.586 -11.845 -10.198 1.00 73.43 H new ATOM 0 HH21 ARG A 19 -0.464 -10.455 -10.790 1.00 64.32 H new ATOM 0 HH22 ARG A 19 -1.864 -11.281 -11.482 1.00 64.32 H new ATOM 301 N LEU A 20 -5.063 -7.540 -3.323 1.00 70.52 N ATOM 302 CA LEU A 20 -5.914 -7.681 -2.131 1.00 23.22 C ATOM 303 C LEU A 20 -7.194 -8.466 -2.479 1.00 63.14 C ATOM 304 O LEU A 20 -7.581 -8.544 -3.645 1.00 65.34 O ATOM 305 CB LEU A 20 -6.266 -6.291 -1.569 1.00 23.01 C ATOM 306 CG LEU A 20 -7.056 -6.281 -0.244 1.00 51.32 C ATOM 307 CD1 LEU A 20 -6.249 -6.941 0.873 1.00 70.00 C ATOM 308 CD2 LEU A 20 -7.451 -4.855 0.143 1.00 53.20 C ATOM 0 H LEU A 20 -5.574 -7.285 -4.168 1.00 70.52 H new ATOM 0 HA LEU A 20 -5.368 -8.237 -1.369 1.00 23.22 H new ATOM 0 HB2 LEU A 20 -5.340 -5.735 -1.422 1.00 23.01 H new ATOM 0 HB3 LEU A 20 -6.845 -5.753 -2.319 1.00 23.01 H new ATOM 0 HG LEU A 20 -7.969 -6.858 -0.390 1.00 51.32 H new ATOM 0 HD11 LEU A 20 -6.825 -6.923 1.798 1.00 70.00 H new ATOM 0 HD12 LEU A 20 -6.030 -7.974 0.602 1.00 70.00 H new ATOM 0 HD13 LEU A 20 -5.315 -6.398 1.017 1.00 70.00 H new ATOM 0 HD21 LEU A 20 -8.007 -4.873 1.080 1.00 53.20 H new ATOM 0 HD22 LEU A 20 -6.553 -4.249 0.265 1.00 53.20 H new ATOM 0 HD23 LEU A 20 -8.075 -4.425 -0.641 1.00 53.20 H new ATOM 320 N TYR A 21 -7.845 -9.048 -1.474 1.00 0.13 N ATOM 321 CA TYR A 21 -9.026 -9.893 -1.704 1.00 10.42 C ATOM 322 C TYR A 21 -10.279 -9.054 -2.049 1.00 73.03 C ATOM 323 O TYR A 21 -10.545 -8.027 -1.421 1.00 20.40 O ATOM 324 CB TYR A 21 -9.272 -10.780 -0.476 1.00 73.11 C ATOM 325 CG TYR A 21 -8.090 -11.680 -0.158 1.00 13.10 C ATOM 326 CD1 TYR A 21 -7.024 -11.215 0.607 1.00 32.33 C ATOM 327 CD2 TYR A 21 -8.031 -12.986 -0.636 1.00 23.33 C ATOM 328 CE1 TYR A 21 -5.935 -12.019 0.879 1.00 41.34 C ATOM 329 CE2 TYR A 21 -6.946 -13.798 -0.364 1.00 21.24 C ATOM 330 CZ TYR A 21 -5.901 -13.310 0.394 1.00 1.14 C ATOM 331 OH TYR A 21 -4.814 -14.112 0.658 1.00 13.42 O ATOM 0 H TYR A 21 -7.580 -8.953 -0.494 1.00 0.13 H new ATOM 0 HA TYR A 21 -8.829 -10.528 -2.568 1.00 10.42 H new ATOM 0 HB2 TYR A 21 -9.485 -10.149 0.387 1.00 73.11 H new ATOM 0 HB3 TYR A 21 -10.156 -11.394 -0.648 1.00 73.11 H new ATOM 0 HD1 TYR A 21 -7.049 -10.207 0.995 1.00 32.33 H new ATOM 0 HD2 TYR A 21 -8.847 -13.371 -1.229 1.00 23.33 H new ATOM 0 HE1 TYR A 21 -5.114 -11.639 1.469 1.00 41.34 H new ATOM 0 HE2 TYR A 21 -6.916 -14.809 -0.743 1.00 21.24 H new ATOM 0 HH TYR A 21 -4.948 -14.991 0.246 1.00 13.42 H new ATOM 341 N PRO A 22 -11.076 -9.509 -3.048 1.00 32.50 N ATOM 342 CA PRO A 22 -12.212 -8.737 -3.612 1.00 65.32 C ATOM 343 C PRO A 22 -13.170 -8.155 -2.555 1.00 53.24 C ATOM 344 O PRO A 22 -13.539 -6.979 -2.617 1.00 71.23 O ATOM 345 CB PRO A 22 -12.944 -9.767 -4.505 1.00 42.31 C ATOM 346 CG PRO A 22 -12.359 -11.096 -4.143 1.00 53.34 C ATOM 347 CD PRO A 22 -10.948 -10.819 -3.710 1.00 1.52 C ATOM 0 HA PRO A 22 -11.853 -7.857 -4.145 1.00 65.32 H new ATOM 0 HB2 PRO A 22 -14.019 -9.749 -4.325 1.00 42.31 H new ATOM 0 HB3 PRO A 22 -12.794 -9.547 -5.562 1.00 42.31 H new ATOM 0 HG2 PRO A 22 -12.928 -11.568 -3.342 1.00 53.34 H new ATOM 0 HG3 PRO A 22 -12.380 -11.777 -4.994 1.00 53.34 H new ATOM 0 HD2 PRO A 22 -10.573 -11.584 -3.030 1.00 1.52 H new ATOM 0 HD3 PRO A 22 -10.262 -10.782 -4.557 1.00 1.52 H new ATOM 355 N ASP A 23 -13.577 -8.979 -1.593 1.00 24.34 N ATOM 356 CA ASP A 23 -14.487 -8.530 -0.532 1.00 12.41 C ATOM 357 C ASP A 23 -13.881 -7.362 0.266 1.00 62.42 C ATOM 358 O ASP A 23 -14.524 -6.331 0.470 1.00 40.25 O ATOM 359 CB ASP A 23 -14.820 -9.697 0.405 1.00 74.34 C ATOM 360 CG ASP A 23 -15.772 -9.289 1.517 1.00 30.43 C ATOM 361 OD1 ASP A 23 -16.988 -9.187 1.256 1.00 43.51 O ATOM 362 OD2 ASP A 23 -15.303 -9.047 2.648 1.00 73.23 O ATOM 0 H ASP A 23 -13.295 -9.957 -1.522 1.00 24.34 H new ATOM 0 HA ASP A 23 -15.405 -8.175 -1.001 1.00 12.41 H new ATOM 0 HB2 ASP A 23 -15.265 -10.508 -0.172 1.00 74.34 H new ATOM 0 HB3 ASP A 23 -13.899 -10.084 0.842 1.00 74.34 H new ATOM 367 N GLU A 24 -12.629 -7.525 0.684 1.00 43.12 N ATOM 368 CA GLU A 24 -11.934 -6.509 1.478 1.00 31.03 C ATOM 369 C GLU A 24 -11.702 -5.220 0.678 1.00 31.23 C ATOM 370 O GLU A 24 -11.704 -4.127 1.240 1.00 65.32 O ATOM 371 CB GLU A 24 -10.606 -7.065 1.998 1.00 61.21 C ATOM 372 CG GLU A 24 -10.778 -8.308 2.864 1.00 21.11 C ATOM 373 CD GLU A 24 -9.464 -8.833 3.409 1.00 54.54 C ATOM 374 OE1 GLU A 24 -8.791 -9.605 2.699 1.00 53.02 O ATOM 375 OE2 GLU A 24 -9.109 -8.478 4.552 1.00 10.44 O ATOM 0 H GLU A 24 -12.070 -8.355 0.486 1.00 43.12 H new ATOM 0 HA GLU A 24 -12.571 -6.255 2.325 1.00 31.03 H new ATOM 0 HB2 GLU A 24 -9.963 -7.305 1.151 1.00 61.21 H new ATOM 0 HB3 GLU A 24 -10.097 -6.294 2.576 1.00 61.21 H new ATOM 0 HG2 GLU A 24 -11.444 -8.076 3.695 1.00 21.11 H new ATOM 0 HG3 GLU A 24 -11.261 -9.090 2.277 1.00 21.11 H new ATOM 382 N ILE A 25 -11.503 -5.350 -0.633 1.00 4.11 N ATOM 383 CA ILE A 25 -11.385 -4.177 -1.511 1.00 44.10 C ATOM 384 C ILE A 25 -12.685 -3.353 -1.499 1.00 10.52 C ATOM 385 O ILE A 25 -12.659 -2.120 -1.544 1.00 40.45 O ATOM 386 CB ILE A 25 -11.040 -4.585 -2.965 1.00 21.51 C ATOM 387 CG1 ILE A 25 -9.694 -5.323 -3.000 1.00 24.22 C ATOM 388 CG2 ILE A 25 -11.011 -3.362 -3.887 1.00 0.44 C ATOM 389 CD1 ILE A 25 -9.270 -5.756 -4.384 1.00 61.15 C ATOM 0 H ILE A 25 -11.420 -6.247 -1.112 1.00 4.11 H new ATOM 0 HA ILE A 25 -10.570 -3.566 -1.124 1.00 44.10 H new ATOM 0 HB ILE A 25 -11.818 -5.257 -3.328 1.00 21.51 H new ATOM 0 HG12 ILE A 25 -8.924 -4.675 -2.581 1.00 24.22 H new ATOM 0 HG13 ILE A 25 -9.755 -6.202 -2.358 1.00 24.22 H new ATOM 0 HG21 ILE A 25 -10.766 -3.677 -4.901 1.00 0.44 H new ATOM 0 HG22 ILE A 25 -11.988 -2.880 -3.882 1.00 0.44 H new ATOM 0 HG23 ILE A 25 -10.257 -2.658 -3.534 1.00 0.44 H new ATOM 0 HD11 ILE A 25 -8.311 -6.270 -4.326 1.00 61.15 H new ATOM 0 HD12 ILE A 25 -10.019 -6.431 -4.800 1.00 61.15 H new ATOM 0 HD13 ILE A 25 -9.175 -4.880 -5.026 1.00 61.15 H new ATOM 401 N GLU A 26 -13.824 -4.041 -1.426 1.00 11.24 N ATOM 402 CA GLU A 26 -15.118 -3.364 -1.299 1.00 42.33 C ATOM 403 C GLU A 26 -15.291 -2.770 0.107 1.00 11.22 C ATOM 404 O GLU A 26 -15.796 -1.654 0.268 1.00 14.33 O ATOM 405 CB GLU A 26 -16.272 -4.315 -1.632 1.00 51.50 C ATOM 406 CG GLU A 26 -17.645 -3.672 -1.482 1.00 74.12 C ATOM 407 CD GLU A 26 -18.744 -4.456 -2.174 1.00 62.22 C ATOM 408 OE1 GLU A 26 -19.243 -5.444 -1.593 1.00 3.00 O ATOM 409 OE2 GLU A 26 -19.115 -4.081 -3.307 1.00 44.25 O ATOM 0 H GLU A 26 -13.879 -5.059 -1.452 1.00 11.24 H new ATOM 0 HA GLU A 26 -15.138 -2.545 -2.018 1.00 42.33 H new ATOM 0 HB2 GLU A 26 -16.156 -4.672 -2.655 1.00 51.50 H new ATOM 0 HB3 GLU A 26 -16.214 -5.187 -0.981 1.00 51.50 H new ATOM 0 HG2 GLU A 26 -17.884 -3.580 -0.422 1.00 74.12 H new ATOM 0 HG3 GLU A 26 -17.614 -2.662 -1.891 1.00 74.12 H new ATOM 416 N ALA A 27 -14.865 -3.515 1.126 1.00 22.43 N ATOM 417 CA ALA A 27 -14.817 -2.987 2.494 1.00 72.22 C ATOM 418 C ALA A 27 -13.919 -1.738 2.553 1.00 24.21 C ATOM 419 O ALA A 27 -14.150 -0.821 3.342 1.00 54.32 O ATOM 420 CB ALA A 27 -14.319 -4.055 3.464 1.00 2.20 C ATOM 0 H ALA A 27 -14.549 -4.481 1.034 1.00 22.43 H new ATOM 0 HA ALA A 27 -15.826 -2.701 2.792 1.00 72.22 H new ATOM 0 HB1 ALA A 27 -14.290 -3.645 4.473 1.00 2.20 H new ATOM 0 HB2 ALA A 27 -14.993 -4.911 3.439 1.00 2.20 H new ATOM 0 HB3 ALA A 27 -13.318 -4.373 3.173 1.00 2.20 H new ATOM 426 N LEU A 28 -12.902 -1.716 1.690 1.00 52.41 N ATOM 427 CA LEU A 28 -12.008 -0.566 1.555 1.00 61.01 C ATOM 428 C LEU A 28 -12.745 0.649 0.969 1.00 22.44 C ATOM 429 O LEU A 28 -12.785 1.712 1.587 1.00 63.15 O ATOM 430 CB LEU A 28 -10.808 -0.929 0.668 1.00 61.12 C ATOM 431 CG LEU A 28 -9.818 0.214 0.404 1.00 34.05 C ATOM 432 CD1 LEU A 28 -9.199 0.705 1.711 1.00 13.34 C ATOM 433 CD2 LEU A 28 -8.742 -0.229 -0.583 1.00 35.55 C ATOM 0 H LEU A 28 -12.676 -2.492 1.068 1.00 52.41 H new ATOM 0 HA LEU A 28 -11.653 -0.299 2.550 1.00 61.01 H new ATOM 0 HB2 LEU A 28 -10.269 -1.754 1.134 1.00 61.12 H new ATOM 0 HB3 LEU A 28 -11.182 -1.293 -0.289 1.00 61.12 H new ATOM 0 HG LEU A 28 -10.362 1.047 -0.041 1.00 34.05 H new ATOM 0 HD11 LEU A 28 -8.500 1.515 1.501 1.00 13.34 H new ATOM 0 HD12 LEU A 28 -9.986 1.067 2.373 1.00 13.34 H new ATOM 0 HD13 LEU A 28 -8.668 -0.116 2.193 1.00 13.34 H new ATOM 0 HD21 LEU A 28 -8.049 0.593 -0.759 1.00 35.55 H new ATOM 0 HD22 LEU A 28 -8.199 -1.080 -0.172 1.00 35.55 H new ATOM 0 HD23 LEU A 28 -9.209 -0.518 -1.525 1.00 35.55 H new ATOM 445 N LYS A 29 -13.344 0.490 -0.215 1.00 73.53 N ATOM 446 CA LYS A 29 -14.057 1.602 -0.867 1.00 53.22 C ATOM 447 C LYS A 29 -15.242 2.094 -0.016 1.00 12.14 C ATOM 448 O LYS A 29 -15.794 3.164 -0.267 1.00 43.44 O ATOM 449 CB LYS A 29 -14.539 1.207 -2.275 1.00 13.32 C ATOM 450 CG LYS A 29 -15.589 0.100 -2.292 1.00 61.22 C ATOM 451 CD LYS A 29 -16.053 -0.230 -3.711 1.00 75.54 C ATOM 452 CE LYS A 29 -16.815 0.928 -4.358 1.00 13.24 C ATOM 453 NZ LYS A 29 -18.088 1.222 -3.647 1.00 45.02 N ATOM 0 H LYS A 29 -13.352 -0.385 -0.739 1.00 73.53 H new ATOM 0 HA LYS A 29 -13.347 2.423 -0.963 1.00 53.22 H new ATOM 0 HB2 LYS A 29 -14.950 2.089 -2.766 1.00 13.32 H new ATOM 0 HB3 LYS A 29 -13.680 0.886 -2.864 1.00 13.32 H new ATOM 0 HG2 LYS A 29 -15.178 -0.796 -1.828 1.00 61.22 H new ATOM 0 HG3 LYS A 29 -16.447 0.405 -1.692 1.00 61.22 H new ATOM 0 HD2 LYS A 29 -15.188 -0.480 -4.325 1.00 75.54 H new ATOM 0 HD3 LYS A 29 -16.692 -1.113 -3.686 1.00 75.54 H new ATOM 0 HE2 LYS A 29 -16.187 1.819 -4.361 1.00 13.24 H new ATOM 0 HE3 LYS A 29 -17.029 0.685 -5.399 1.00 13.24 H new ATOM 0 HZ1 LYS A 29 -18.660 1.878 -4.216 1.00 45.02 H new ATOM 0 HZ2 LYS A 29 -18.617 0.338 -3.502 1.00 45.02 H new ATOM 0 HZ3 LYS A 29 -17.879 1.655 -2.725 1.00 45.02 H new ATOM 467 N SER A 30 -15.632 1.305 0.982 1.00 31.42 N ATOM 468 CA SER A 30 -16.673 1.713 1.932 1.00 72.42 C ATOM 469 C SER A 30 -16.118 2.670 3.002 1.00 4.42 C ATOM 470 O SER A 30 -16.837 3.531 3.511 1.00 54.12 O ATOM 471 CB SER A 30 -17.288 0.485 2.614 1.00 53.25 C ATOM 472 OG SER A 30 -18.311 0.860 3.524 1.00 62.33 O ATOM 0 H SER A 30 -15.245 0.378 1.157 1.00 31.42 H new ATOM 0 HA SER A 30 -17.442 2.238 1.366 1.00 72.42 H new ATOM 0 HB2 SER A 30 -17.698 -0.186 1.859 1.00 53.25 H new ATOM 0 HB3 SER A 30 -16.511 -0.067 3.143 1.00 53.25 H new ATOM 0 HG SER A 30 -18.686 0.058 3.943 1.00 62.33 H new ATOM 478 N ARG A 31 -14.832 2.524 3.332 1.00 12.21 N ATOM 479 CA ARG A 31 -14.198 3.341 4.385 1.00 22.23 C ATOM 480 C ARG A 31 -13.293 4.451 3.807 1.00 61.14 C ATOM 481 O ARG A 31 -12.489 5.044 4.530 1.00 40.23 O ATOM 482 CB ARG A 31 -13.395 2.441 5.344 1.00 23.21 C ATOM 483 CG ARG A 31 -12.347 1.569 4.657 1.00 70.15 C ATOM 484 CD ARG A 31 -11.563 0.715 5.654 1.00 23.03 C ATOM 485 NE ARG A 31 -10.725 1.527 6.533 1.00 33.20 N ATOM 486 CZ ARG A 31 -10.019 1.066 7.530 1.00 50.30 C ATOM 487 NH1 ARG A 31 -10.038 -0.192 7.847 1.00 1.22 N ATOM 488 NH2 ARG A 31 -9.299 1.883 8.219 1.00 13.24 N ATOM 0 H ARG A 31 -14.206 1.851 2.890 1.00 12.21 H new ATOM 0 HA ARG A 31 -14.999 3.836 4.935 1.00 22.23 H new ATOM 0 HB2 ARG A 31 -12.899 3.069 6.084 1.00 23.21 H new ATOM 0 HB3 ARG A 31 -14.088 1.797 5.885 1.00 23.21 H new ATOM 0 HG2 ARG A 31 -12.836 0.920 3.931 1.00 70.15 H new ATOM 0 HG3 ARG A 31 -11.656 2.204 4.102 1.00 70.15 H new ATOM 0 HD2 ARG A 31 -12.259 0.130 6.256 1.00 23.03 H new ATOM 0 HD3 ARG A 31 -10.938 0.006 5.111 1.00 23.03 H new ATOM 0 HE ARG A 31 -10.689 2.531 6.354 1.00 33.20 H new ATOM 0 HH11 ARG A 31 -10.613 -0.844 7.313 1.00 1.22 H new ATOM 0 HH12 ARG A 31 -9.478 -0.529 8.630 1.00 1.22 H new ATOM 0 HH21 ARG A 31 -9.286 2.875 7.983 1.00 13.24 H new ATOM 0 HH22 ARG A 31 -8.742 1.538 9.001 1.00 13.24 H new ATOM 502 N VAL A 32 -13.434 4.743 2.512 1.00 14.43 N ATOM 503 CA VAL A 32 -12.672 5.833 1.878 1.00 63.23 C ATOM 504 C VAL A 32 -13.499 7.132 1.797 1.00 22.14 C ATOM 505 O VAL A 32 -14.716 7.092 1.598 1.00 10.34 O ATOM 506 CB VAL A 32 -12.195 5.456 0.448 1.00 55.10 C ATOM 507 CG1 VAL A 32 -11.300 4.221 0.480 1.00 72.01 C ATOM 508 CG2 VAL A 32 -13.380 5.251 -0.496 1.00 25.42 C ATOM 0 H VAL A 32 -14.063 4.246 1.881 1.00 14.43 H new ATOM 0 HA VAL A 32 -11.800 5.997 2.512 1.00 63.23 H new ATOM 0 HB VAL A 32 -11.606 6.289 0.063 1.00 55.10 H new ATOM 0 HG11 VAL A 32 -10.979 3.978 -0.533 1.00 72.01 H new ATOM 0 HG12 VAL A 32 -10.426 4.421 1.099 1.00 72.01 H new ATOM 0 HG13 VAL A 32 -11.855 3.380 0.897 1.00 72.01 H new ATOM 0 HG21 VAL A 32 -13.013 4.988 -1.488 1.00 25.42 H new ATOM 0 HG22 VAL A 32 -14.012 4.447 -0.118 1.00 25.42 H new ATOM 0 HG23 VAL A 32 -13.961 6.171 -0.556 1.00 25.42 H new ATOM 518 N PRO A 33 -12.854 8.304 1.982 1.00 2.43 N ATOM 519 CA PRO A 33 -13.506 9.612 1.772 1.00 25.20 C ATOM 520 C PRO A 33 -13.823 9.866 0.284 1.00 65.30 C ATOM 521 O PRO A 33 -13.002 9.581 -0.587 1.00 22.43 O ATOM 522 CB PRO A 33 -12.469 10.629 2.298 1.00 24.34 C ATOM 523 CG PRO A 33 -11.485 9.818 3.082 1.00 54.02 C ATOM 524 CD PRO A 33 -11.464 8.461 2.436 1.00 64.23 C ATOM 0 HA PRO A 33 -14.467 9.679 2.282 1.00 25.20 H new ATOM 0 HB2 PRO A 33 -11.981 11.154 1.477 1.00 24.34 H new ATOM 0 HB3 PRO A 33 -12.942 11.386 2.923 1.00 24.34 H new ATOM 0 HG2 PRO A 33 -10.496 10.276 3.061 1.00 54.02 H new ATOM 0 HG3 PRO A 33 -11.782 9.748 4.128 1.00 54.02 H new ATOM 0 HD2 PRO A 33 -10.759 8.417 1.606 1.00 64.23 H new ATOM 0 HD3 PRO A 33 -11.176 7.680 3.140 1.00 64.23 H new ATOM 532 N ALA A 34 -15.008 10.415 0.005 1.00 1.34 N ATOM 533 CA ALA A 34 -15.481 10.618 -1.376 1.00 3.10 C ATOM 534 C ALA A 34 -14.493 11.421 -2.246 1.00 15.55 C ATOM 535 O ALA A 34 -14.377 11.174 -3.448 1.00 52.23 O ATOM 536 CB ALA A 34 -16.845 11.299 -1.362 1.00 3.35 C ATOM 0 H ALA A 34 -15.665 10.730 0.719 1.00 1.34 H new ATOM 0 HA ALA A 34 -15.561 9.631 -1.831 1.00 3.10 H new ATOM 0 HB1 ALA A 34 -17.189 11.446 -2.386 1.00 3.35 H new ATOM 0 HB2 ALA A 34 -17.559 10.673 -0.826 1.00 3.35 H new ATOM 0 HB3 ALA A 34 -16.764 12.265 -0.864 1.00 3.35 H new ATOM 542 N ASN A 35 -13.792 12.383 -1.646 1.00 54.43 N ATOM 543 CA ASN A 35 -12.818 13.204 -2.384 1.00 64.31 C ATOM 544 C ASN A 35 -11.456 12.500 -2.499 1.00 11.43 C ATOM 545 O ASN A 35 -10.633 12.853 -3.347 1.00 12.02 O ATOM 546 CB ASN A 35 -12.638 14.570 -1.712 1.00 63.13 C ATOM 547 CG ASN A 35 -13.935 15.354 -1.649 1.00 44.30 C ATOM 548 OD1 ASN A 35 -14.296 16.059 -2.587 1.00 33.34 O ATOM 549 ND2 ASN A 35 -14.632 15.262 -0.535 1.00 21.51 N ATOM 0 H ASN A 35 -13.876 12.616 -0.657 1.00 54.43 H new ATOM 0 HA ASN A 35 -13.215 13.349 -3.389 1.00 64.31 H new ATOM 0 HB2 ASN A 35 -12.252 14.428 -0.703 1.00 63.13 H new ATOM 0 HB3 ASN A 35 -11.893 15.147 -2.260 1.00 63.13 H new ATOM 0 HD21 ASN A 35 -15.501 15.786 -0.432 1.00 21.51 H new ATOM 0 HD22 ASN A 35 -14.303 14.667 0.225 1.00 21.51 H new ATOM 556 N THR A 36 -11.228 11.502 -1.648 1.00 41.31 N ATOM 557 CA THR A 36 -9.956 10.764 -1.629 1.00 52.12 C ATOM 558 C THR A 36 -10.044 9.500 -2.495 1.00 73.23 C ATOM 559 O THR A 36 -10.656 8.504 -2.108 1.00 10.52 O ATOM 560 CB THR A 36 -9.562 10.362 -0.187 1.00 32.11 C ATOM 561 OG1 THR A 36 -9.596 11.514 0.669 1.00 45.41 O ATOM 562 CG2 THR A 36 -8.170 9.739 -0.142 1.00 22.10 C ATOM 0 H THR A 36 -11.907 11.181 -0.958 1.00 41.31 H new ATOM 0 HA THR A 36 -9.193 11.429 -2.034 1.00 52.12 H new ATOM 0 HB THR A 36 -10.281 9.620 0.160 1.00 32.11 H new ATOM 0 HG1 THR A 36 -9.197 11.290 1.536 1.00 45.41 H new ATOM 0 HG21 THR A 36 -7.925 9.469 0.885 1.00 22.10 H new ATOM 0 HG22 THR A 36 -8.151 8.846 -0.767 1.00 22.10 H new ATOM 0 HG23 THR A 36 -7.438 10.457 -0.512 1.00 22.10 H new ATOM 570 N SER A 37 -9.411 9.542 -3.661 1.00 3.33 N ATOM 571 CA SER A 37 -9.531 8.460 -4.651 1.00 25.32 C ATOM 572 C SER A 37 -8.805 7.173 -4.217 1.00 22.30 C ATOM 573 O SER A 37 -7.677 6.927 -4.631 1.00 21.32 O ATOM 574 CB SER A 37 -9.002 8.927 -6.018 1.00 10.41 C ATOM 575 OG SER A 37 -9.762 10.020 -6.526 1.00 24.33 O ATOM 0 H SER A 37 -8.807 10.311 -3.951 1.00 3.33 H new ATOM 0 HA SER A 37 -10.591 8.220 -4.729 1.00 25.32 H new ATOM 0 HB2 SER A 37 -7.957 9.222 -5.924 1.00 10.41 H new ATOM 0 HB3 SER A 37 -9.037 8.098 -6.725 1.00 10.41 H new ATOM 0 HG SER A 37 -9.400 10.295 -7.394 1.00 24.33 H new ATOM 581 N MET A 38 -9.468 6.392 -3.348 1.00 32.31 N ATOM 582 CA MET A 38 -9.022 5.044 -2.916 1.00 31.20 C ATOM 583 C MET A 38 -7.494 4.899 -2.729 1.00 2.33 C ATOM 584 O MET A 38 -7.009 4.832 -1.599 1.00 71.15 O ATOM 585 CB MET A 38 -9.540 3.977 -3.888 1.00 22.11 C ATOM 586 CG MET A 38 -11.061 3.895 -3.944 1.00 1.32 C ATOM 587 SD MET A 38 -11.650 2.539 -4.974 1.00 13.34 S ATOM 588 CE MET A 38 -10.958 1.121 -4.121 1.00 30.11 C ATOM 0 H MET A 38 -10.346 6.679 -2.915 1.00 32.31 H new ATOM 0 HA MET A 38 -9.453 4.898 -1.926 1.00 31.20 H new ATOM 0 HB2 MET A 38 -9.158 4.190 -4.886 1.00 22.11 H new ATOM 0 HB3 MET A 38 -9.142 3.006 -3.595 1.00 22.11 H new ATOM 0 HG2 MET A 38 -11.451 3.774 -2.933 1.00 1.32 H new ATOM 0 HG3 MET A 38 -11.457 4.835 -4.328 1.00 1.32 H new ATOM 0 HE1 MET A 38 -11.538 0.231 -4.365 1.00 30.11 H new ATOM 0 HE2 MET A 38 -9.924 0.977 -4.434 1.00 30.11 H new ATOM 0 HE3 MET A 38 -10.991 1.292 -3.045 1.00 30.11 H new ATOM 598 N SER A 39 -6.751 4.828 -3.836 1.00 23.45 N ATOM 599 CA SER A 39 -5.281 4.706 -3.796 1.00 35.14 C ATOM 600 C SER A 39 -4.655 5.742 -2.849 1.00 24.23 C ATOM 601 O SER A 39 -3.733 5.438 -2.093 1.00 4.45 O ATOM 602 CB SER A 39 -4.693 4.880 -5.204 1.00 34.41 C ATOM 603 OG SER A 39 -3.282 4.733 -5.199 1.00 63.50 O ATOM 0 H SER A 39 -7.140 4.853 -4.778 1.00 23.45 H new ATOM 0 HA SER A 39 -5.045 3.710 -3.421 1.00 35.14 H new ATOM 0 HB2 SER A 39 -5.134 4.145 -5.877 1.00 34.41 H new ATOM 0 HB3 SER A 39 -4.956 5.865 -5.590 1.00 34.41 H new ATOM 0 HG SER A 39 -2.938 4.848 -6.109 1.00 63.50 H new ATOM 609 N ALA A 40 -5.178 6.967 -2.893 1.00 15.03 N ATOM 610 CA ALA A 40 -4.721 8.038 -2.001 1.00 23.33 C ATOM 611 C ALA A 40 -4.995 7.706 -0.522 1.00 31.45 C ATOM 612 O ALA A 40 -4.197 8.039 0.361 1.00 2.53 O ATOM 613 CB ALA A 40 -5.383 9.357 -2.384 1.00 31.23 C ATOM 0 H ALA A 40 -5.919 7.245 -3.536 1.00 15.03 H new ATOM 0 HA ALA A 40 -3.641 8.132 -2.119 1.00 23.33 H new ATOM 0 HB1 ALA A 40 -5.037 10.145 -1.716 1.00 31.23 H new ATOM 0 HB2 ALA A 40 -5.121 9.611 -3.411 1.00 31.23 H new ATOM 0 HB3 ALA A 40 -6.465 9.259 -2.300 1.00 31.23 H new ATOM 619 N TYR A 41 -6.121 7.038 -0.260 1.00 62.34 N ATOM 620 CA TYR A 41 -6.473 6.608 1.101 1.00 71.34 C ATOM 621 C TYR A 41 -5.497 5.532 1.597 1.00 34.01 C ATOM 622 O TYR A 41 -5.047 5.569 2.740 1.00 52.21 O ATOM 623 CB TYR A 41 -7.921 6.088 1.151 1.00 54.22 C ATOM 624 CG TYR A 41 -8.341 5.556 2.513 1.00 71.15 C ATOM 625 CD1 TYR A 41 -8.505 6.411 3.599 1.00 4.35 C ATOM 626 CD2 TYR A 41 -8.567 4.197 2.711 1.00 53.31 C ATOM 627 CE1 TYR A 41 -8.881 5.925 4.838 1.00 12.02 C ATOM 628 CE2 TYR A 41 -8.943 3.706 3.946 1.00 55.02 C ATOM 629 CZ TYR A 41 -9.098 4.571 5.007 1.00 72.42 C ATOM 630 OH TYR A 41 -9.471 4.081 6.240 1.00 21.41 O ATOM 0 H TYR A 41 -6.806 6.782 -0.971 1.00 62.34 H new ATOM 0 HA TYR A 41 -6.397 7.472 1.761 1.00 71.34 H new ATOM 0 HB2 TYR A 41 -8.596 6.894 0.864 1.00 54.22 H new ATOM 0 HB3 TYR A 41 -8.037 5.296 0.411 1.00 54.22 H new ATOM 0 HD1 TYR A 41 -8.336 7.470 3.472 1.00 4.35 H new ATOM 0 HD2 TYR A 41 -8.446 3.514 1.883 1.00 53.31 H new ATOM 0 HE1 TYR A 41 -9.005 6.602 5.671 1.00 12.02 H new ATOM 0 HE2 TYR A 41 -9.115 2.648 4.079 1.00 55.02 H new ATOM 0 HH TYR A 41 -10.317 4.493 6.513 1.00 21.41 H new ATOM 640 N ILE A 42 -5.165 4.578 0.729 1.00 10.44 N ATOM 641 CA ILE A 42 -4.156 3.566 1.060 1.00 54.34 C ATOM 642 C ILE A 42 -2.780 4.216 1.257 1.00 44.32 C ATOM 643 O ILE A 42 -2.014 3.814 2.131 1.00 43.34 O ATOM 644 CB ILE A 42 -4.059 2.463 -0.028 1.00 15.31 C ATOM 645 CG1 ILE A 42 -5.383 1.693 -0.131 1.00 2.53 C ATOM 646 CG2 ILE A 42 -2.909 1.502 0.278 1.00 62.44 C ATOM 647 CD1 ILE A 42 -5.735 0.917 1.124 1.00 21.33 C ATOM 0 H ILE A 42 -5.574 4.482 -0.201 1.00 10.44 H new ATOM 0 HA ILE A 42 -4.473 3.096 1.991 1.00 54.34 H new ATOM 0 HB ILE A 42 -3.860 2.945 -0.985 1.00 15.31 H new ATOM 0 HG12 ILE A 42 -6.186 2.396 -0.350 1.00 2.53 H new ATOM 0 HG13 ILE A 42 -5.327 1.001 -0.972 1.00 2.53 H new ATOM 0 HG21 ILE A 42 -2.858 0.737 -0.497 1.00 62.44 H new ATOM 0 HG22 ILE A 42 -1.970 2.055 0.304 1.00 62.44 H new ATOM 0 HG23 ILE A 42 -3.078 1.029 1.245 1.00 62.44 H new ATOM 0 HD11 ILE A 42 -6.682 0.398 0.977 1.00 21.33 H new ATOM 0 HD12 ILE A 42 -4.951 0.189 1.333 1.00 21.33 H new ATOM 0 HD13 ILE A 42 -5.824 1.605 1.964 1.00 21.33 H new ATOM 659 N ARG A 43 -2.485 5.239 0.454 1.00 63.10 N ATOM 660 CA ARG A 43 -1.232 5.989 0.586 1.00 73.13 C ATOM 661 C ARG A 43 -1.095 6.611 1.986 1.00 4.02 C ATOM 662 O ARG A 43 -0.093 6.402 2.663 1.00 23.21 O ATOM 663 CB ARG A 43 -1.135 7.079 -0.492 1.00 74.01 C ATOM 664 CG ARG A 43 0.113 7.951 -0.373 1.00 31.41 C ATOM 665 CD ARG A 43 0.266 8.893 -1.564 1.00 1.44 C ATOM 666 NE ARG A 43 -0.870 9.801 -1.723 1.00 12.11 N ATOM 667 CZ ARG A 43 -0.992 10.652 -2.710 1.00 72.40 C ATOM 668 NH1 ARG A 43 -0.071 10.735 -3.623 1.00 73.41 N ATOM 669 NH2 ARG A 43 -2.027 11.423 -2.768 1.00 1.04 N ATOM 0 H ARG A 43 -3.095 5.568 -0.294 1.00 63.10 H new ATOM 0 HA ARG A 43 -0.411 5.285 0.448 1.00 73.13 H new ATOM 0 HB2 ARG A 43 -1.146 6.608 -1.475 1.00 74.01 H new ATOM 0 HB3 ARG A 43 -2.019 7.715 -0.434 1.00 74.01 H new ATOM 0 HG2 ARG A 43 0.062 8.534 0.547 1.00 31.41 H new ATOM 0 HG3 ARG A 43 0.995 7.314 -0.298 1.00 31.41 H new ATOM 0 HD2 ARG A 43 1.178 9.478 -1.443 1.00 1.44 H new ATOM 0 HD3 ARG A 43 0.384 8.304 -2.474 1.00 1.44 H new ATOM 0 HE ARG A 43 -1.611 9.769 -1.023 1.00 12.11 H new ATOM 0 HH11 ARG A 43 0.752 10.135 -3.573 1.00 73.41 H new ATOM 0 HH12 ARG A 43 -0.172 11.400 -4.390 1.00 73.41 H new ATOM 0 HH21 ARG A 43 -2.746 11.367 -2.046 1.00 1.04 H new ATOM 0 HH22 ARG A 43 -2.126 12.087 -3.536 1.00 1.04 H new ATOM 683 N ARG A 44 -2.112 7.358 2.430 1.00 14.33 N ATOM 684 CA ARG A 44 -2.085 7.970 3.773 1.00 35.35 C ATOM 685 C ARG A 44 -2.107 6.903 4.884 1.00 15.11 C ATOM 686 O ARG A 44 -1.903 7.209 6.061 1.00 44.41 O ATOM 687 CB ARG A 44 -3.251 8.955 3.957 1.00 20.43 C ATOM 688 CG ARG A 44 -4.627 8.347 3.709 1.00 51.25 C ATOM 689 CD ARG A 44 -5.755 9.264 4.171 1.00 3.22 C ATOM 690 NE ARG A 44 -5.784 9.389 5.627 1.00 43.44 N ATOM 691 CZ ARG A 44 -6.628 10.138 6.283 1.00 52.12 C ATOM 692 NH1 ARG A 44 -7.478 10.889 5.654 1.00 33.11 N ATOM 693 NH2 ARG A 44 -6.607 10.147 7.578 1.00 51.10 N ATOM 0 H ARG A 44 -2.955 7.555 1.891 1.00 14.33 H new ATOM 0 HA ARG A 44 -1.149 8.522 3.855 1.00 35.35 H new ATOM 0 HB2 ARG A 44 -3.219 9.353 4.971 1.00 20.43 H new ATOM 0 HB3 ARG A 44 -3.111 9.797 3.280 1.00 20.43 H new ATOM 0 HG2 ARG A 44 -4.744 8.138 2.646 1.00 51.25 H new ATOM 0 HG3 ARG A 44 -4.700 7.393 4.231 1.00 51.25 H new ATOM 0 HD2 ARG A 44 -5.630 10.250 3.723 1.00 3.22 H new ATOM 0 HD3 ARG A 44 -6.710 8.873 3.820 1.00 3.22 H new ATOM 0 HE ARG A 44 -5.101 8.856 6.165 1.00 43.44 H new ATOM 0 HH11 ARG A 44 -7.492 10.899 4.634 1.00 33.11 H new ATOM 0 HH12 ARG A 44 -8.132 11.469 6.179 1.00 33.11 H new ATOM 0 HH21 ARG A 44 -5.933 9.570 8.081 1.00 51.10 H new ATOM 0 HH22 ARG A 44 -7.265 10.731 8.095 1.00 51.10 H new ATOM 707 N ILE A 45 -2.369 5.655 4.508 1.00 15.54 N ATOM 708 CA ILE A 45 -2.280 4.523 5.437 1.00 72.11 C ATOM 709 C ILE A 45 -0.838 3.999 5.532 1.00 41.33 C ATOM 710 O ILE A 45 -0.228 4.008 6.604 1.00 63.43 O ATOM 711 CB ILE A 45 -3.219 3.366 5.000 1.00 73.32 C ATOM 712 CG1 ILE A 45 -4.691 3.757 5.208 1.00 13.55 C ATOM 713 CG2 ILE A 45 -2.886 2.070 5.746 1.00 15.51 C ATOM 714 CD1 ILE A 45 -5.673 2.699 4.747 1.00 50.05 C ATOM 0 H ILE A 45 -2.647 5.397 3.561 1.00 15.54 H new ATOM 0 HA ILE A 45 -2.593 4.884 6.417 1.00 72.11 H new ATOM 0 HB ILE A 45 -3.060 3.185 3.937 1.00 73.32 H new ATOM 0 HG12 ILE A 45 -4.858 3.959 6.266 1.00 13.55 H new ATOM 0 HG13 ILE A 45 -4.891 4.684 4.671 1.00 13.55 H new ATOM 0 HG21 ILE A 45 -3.560 1.278 5.419 1.00 15.51 H new ATOM 0 HG22 ILE A 45 -1.857 1.781 5.533 1.00 15.51 H new ATOM 0 HG23 ILE A 45 -3.004 2.227 6.818 1.00 15.51 H new ATOM 0 HD11 ILE A 45 -6.691 3.045 4.925 1.00 50.05 H new ATOM 0 HD12 ILE A 45 -5.534 2.513 3.682 1.00 50.05 H new ATOM 0 HD13 ILE A 45 -5.501 1.777 5.302 1.00 50.05 H new ATOM 726 N ILE A 46 -0.294 3.555 4.400 1.00 65.14 N ATOM 727 CA ILE A 46 1.046 2.960 4.362 1.00 63.22 C ATOM 728 C ILE A 46 2.152 3.990 4.649 1.00 35.31 C ATOM 729 O ILE A 46 3.174 3.648 5.241 1.00 54.53 O ATOM 730 CB ILE A 46 1.317 2.267 3.001 1.00 41.35 C ATOM 731 CG1 ILE A 46 1.169 3.265 1.837 1.00 34.31 C ATOM 732 CG2 ILE A 46 0.379 1.073 2.820 1.00 72.04 C ATOM 733 CD1 ILE A 46 1.326 2.638 0.467 1.00 72.55 C ATOM 0 H ILE A 46 -0.760 3.595 3.494 1.00 65.14 H new ATOM 0 HA ILE A 46 1.070 2.211 5.154 1.00 63.22 H new ATOM 0 HB ILE A 46 2.344 1.902 2.997 1.00 41.35 H new ATOM 0 HG12 ILE A 46 0.189 3.738 1.899 1.00 34.31 H new ATOM 0 HG13 ILE A 46 1.912 4.055 1.952 1.00 34.31 H new ATOM 0 HG21 ILE A 46 0.579 0.595 1.861 1.00 72.04 H new ATOM 0 HG22 ILE A 46 0.544 0.356 3.624 1.00 72.04 H new ATOM 0 HG23 ILE A 46 -0.655 1.416 2.846 1.00 72.04 H new ATOM 0 HD11 ILE A 46 1.208 3.404 -0.299 1.00 72.55 H new ATOM 0 HD12 ILE A 46 2.316 2.190 0.383 1.00 72.55 H new ATOM 0 HD13 ILE A 46 0.567 1.868 0.330 1.00 72.55 H new ATOM 745 N LEU A 47 1.930 5.245 4.252 1.00 74.00 N ATOM 746 CA LEU A 47 2.898 6.333 4.486 1.00 72.12 C ATOM 747 C LEU A 47 3.358 6.377 5.955 1.00 54.12 C ATOM 748 O LEU A 47 4.544 6.241 6.257 1.00 1.53 O ATOM 749 CB LEU A 47 2.274 7.684 4.090 1.00 53.23 C ATOM 750 CG LEU A 47 3.138 8.932 4.353 1.00 52.44 C ATOM 751 CD1 LEU A 47 4.443 8.873 3.562 1.00 54.45 C ATOM 752 CD2 LEU A 47 2.358 10.203 4.017 1.00 5.22 C ATOM 0 H LEU A 47 1.085 5.540 3.763 1.00 74.00 H new ATOM 0 HA LEU A 47 3.775 6.140 3.868 1.00 72.12 H new ATOM 0 HB2 LEU A 47 2.032 7.652 3.028 1.00 53.23 H new ATOM 0 HB3 LEU A 47 1.333 7.798 4.628 1.00 53.23 H new ATOM 0 HG LEU A 47 3.391 8.952 5.413 1.00 52.44 H new ATOM 0 HD11 LEU A 47 5.033 9.766 3.767 1.00 54.45 H new ATOM 0 HD12 LEU A 47 5.008 7.989 3.858 1.00 54.45 H new ATOM 0 HD13 LEU A 47 4.220 8.821 2.496 1.00 54.45 H new ATOM 0 HD21 LEU A 47 2.983 11.075 4.209 1.00 5.22 H new ATOM 0 HD22 LEU A 47 2.071 10.186 2.966 1.00 5.22 H new ATOM 0 HD23 LEU A 47 1.463 10.255 4.637 1.00 5.22 H new ATOM 764 N ASN A 48 2.399 6.523 6.869 1.00 24.12 N ATOM 765 CA ASN A 48 2.700 6.607 8.308 1.00 50.14 C ATOM 766 C ASN A 48 3.312 5.300 8.857 1.00 3.42 C ATOM 767 O ASN A 48 3.749 5.240 10.009 1.00 4.43 O ATOM 768 CB ASN A 48 1.429 6.971 9.089 1.00 22.44 C ATOM 769 CG ASN A 48 0.842 8.297 8.638 1.00 5.21 C ATOM 770 OD1 ASN A 48 1.196 9.359 9.145 1.00 74.11 O ATOM 771 ND2 ASN A 48 -0.070 8.251 7.690 1.00 44.42 N ATOM 0 H ASN A 48 1.406 6.586 6.644 1.00 24.12 H new ATOM 0 HA ASN A 48 3.447 7.390 8.441 1.00 50.14 H new ATOM 0 HB2 ASN A 48 0.686 6.184 8.960 1.00 22.44 H new ATOM 0 HB3 ASN A 48 1.659 7.020 10.153 1.00 22.44 H new ATOM 0 HD21 ASN A 48 -0.503 9.112 7.357 1.00 44.42 H new ATOM 0 HD22 ASN A 48 -0.343 7.354 7.288 1.00 44.42 H new ATOM 778 N HIS A 49 3.342 4.259 8.027 1.00 24.53 N ATOM 779 CA HIS A 49 3.943 2.976 8.404 1.00 25.13 C ATOM 780 C HIS A 49 5.370 2.845 7.838 1.00 62.22 C ATOM 781 O HIS A 49 6.282 2.407 8.535 1.00 64.14 O ATOM 782 CB HIS A 49 3.064 1.816 7.899 1.00 42.50 C ATOM 783 CG HIS A 49 3.555 0.441 8.277 1.00 51.05 C ATOM 784 ND1 HIS A 49 2.891 -0.374 9.164 1.00 24.32 N ATOM 785 CD2 HIS A 49 4.632 -0.273 7.861 1.00 74.41 C ATOM 786 CE1 HIS A 49 3.527 -1.522 9.274 1.00 1.32 C ATOM 787 NE2 HIS A 49 4.593 -1.491 8.496 1.00 42.22 N ATOM 0 H HIS A 49 2.955 4.277 7.083 1.00 24.53 H new ATOM 0 HA HIS A 49 4.005 2.934 9.491 1.00 25.13 H new ATOM 0 HB2 HIS A 49 2.055 1.946 8.290 1.00 42.50 H new ATOM 0 HB3 HIS A 49 2.996 1.876 6.813 1.00 42.50 H new ATOM 0 HD2 HIS A 49 5.383 0.056 7.158 1.00 74.41 H new ATOM 0 HE1 HIS A 49 3.226 -2.351 9.897 1.00 1.32 H new ATOM 0 HE2 HIS A 49 5.273 -2.244 8.385 1.00 42.22 H new ATOM 796 N LEU A 50 5.559 3.229 6.576 1.00 52.42 N ATOM 797 CA LEU A 50 6.851 3.046 5.896 1.00 44.33 C ATOM 798 C LEU A 50 7.849 4.177 6.204 1.00 3.15 C ATOM 799 O LEU A 50 9.015 3.903 6.507 1.00 22.33 O ATOM 800 CB LEU A 50 6.654 2.901 4.378 1.00 15.14 C ATOM 801 CG LEU A 50 6.186 1.515 3.886 1.00 31.41 C ATOM 802 CD1 LEU A 50 7.167 0.427 4.321 1.00 75.53 C ATOM 803 CD2 LEU A 50 4.772 1.199 4.372 1.00 5.14 C ATOM 0 H LEU A 50 4.840 3.668 6.001 1.00 52.42 H new ATOM 0 HA LEU A 50 7.282 2.125 6.288 1.00 44.33 H new ATOM 0 HB2 LEU A 50 5.926 3.645 4.053 1.00 15.14 H new ATOM 0 HB3 LEU A 50 7.596 3.141 3.885 1.00 15.14 H new ATOM 0 HG LEU A 50 6.162 1.539 2.797 1.00 31.41 H new ATOM 0 HD11 LEU A 50 6.818 -0.542 3.964 1.00 75.53 H new ATOM 0 HD12 LEU A 50 8.151 0.635 3.901 1.00 75.53 H new ATOM 0 HD13 LEU A 50 7.233 0.410 5.409 1.00 75.53 H new ATOM 0 HD21 LEU A 50 4.473 0.216 4.008 1.00 5.14 H new ATOM 0 HD22 LEU A 50 4.752 1.204 5.462 1.00 5.14 H new ATOM 0 HD23 LEU A 50 4.080 1.952 3.993 1.00 5.14 H new ATOM 815 N GLU A 51 7.409 5.439 6.121 1.00 54.24 N ATOM 816 CA GLU A 51 8.279 6.575 6.484 1.00 70.44 C ATOM 817 C GLU A 51 8.885 6.369 7.883 1.00 52.35 C ATOM 818 O GLU A 51 10.030 6.745 8.150 1.00 51.45 O ATOM 819 CB GLU A 51 7.512 7.910 6.456 1.00 11.44 C ATOM 820 CG GLU A 51 6.555 8.106 7.634 1.00 62.24 C ATOM 821 CD GLU A 51 6.004 9.519 7.725 1.00 71.51 C ATOM 822 OE1 GLU A 51 6.803 10.460 7.927 1.00 2.30 O ATOM 823 OE2 GLU A 51 4.773 9.699 7.630 1.00 30.21 O ATOM 0 H GLU A 51 6.473 5.701 5.812 1.00 54.24 H new ATOM 0 HA GLU A 51 9.076 6.617 5.742 1.00 70.44 H new ATOM 0 HB2 GLU A 51 8.231 8.729 6.446 1.00 11.44 H new ATOM 0 HB3 GLU A 51 6.945 7.971 5.527 1.00 11.44 H new ATOM 0 HG2 GLU A 51 5.726 7.404 7.542 1.00 62.24 H new ATOM 0 HG3 GLU A 51 7.075 7.865 8.561 1.00 62.24 H new ATOM 830 N ASP A 52 8.093 5.768 8.767 1.00 2.10 N ATOM 831 CA ASP A 52 8.533 5.424 10.117 1.00 50.30 C ATOM 832 C ASP A 52 9.425 4.167 10.073 1.00 74.44 C ATOM 833 O ASP A 52 10.618 4.220 10.381 1.00 13.14 O ATOM 834 CB ASP A 52 7.293 5.183 10.995 1.00 54.44 C ATOM 835 CG ASP A 52 7.586 5.115 12.488 1.00 51.12 C ATOM 836 OD1 ASP A 52 8.749 4.888 12.875 1.00 35.13 O ATOM 837 OD2 ASP A 52 6.638 5.287 13.285 1.00 63.54 O ATOM 0 H ASP A 52 7.128 5.505 8.568 1.00 2.10 H new ATOM 0 HA ASP A 52 9.119 6.240 10.540 1.00 50.30 H new ATOM 0 HB2 ASP A 52 6.573 5.981 10.814 1.00 54.44 H new ATOM 0 HB3 ASP A 52 6.820 4.251 10.687 1.00 54.44 H new ATOM 842 N GLU A 53 8.837 3.046 9.660 1.00 70.15 N ATOM 843 CA GLU A 53 9.565 1.783 9.517 1.00 32.43 C ATOM 844 C GLU A 53 10.356 1.751 8.204 1.00 22.24 C ATOM 845 O GLU A 53 11.149 0.835 7.961 1.00 62.42 O ATOM 846 CB GLU A 53 8.580 0.605 9.573 1.00 20.23 C ATOM 847 CG GLU A 53 7.821 0.506 10.893 1.00 74.42 C ATOM 848 CD GLU A 53 6.583 -0.372 10.800 1.00 51.24 C ATOM 849 OE1 GLU A 53 6.710 -1.570 10.469 1.00 3.40 O ATOM 850 OE2 GLU A 53 5.471 0.132 11.061 1.00 31.54 O ATOM 0 H GLU A 53 7.849 2.985 9.416 1.00 70.15 H new ATOM 0 HA GLU A 53 10.274 1.698 10.340 1.00 32.43 H new ATOM 0 HB2 GLU A 53 7.863 0.703 8.758 1.00 20.23 H new ATOM 0 HB3 GLU A 53 9.127 -0.323 9.407 1.00 20.23 H new ATOM 0 HG2 GLU A 53 8.486 0.108 11.659 1.00 74.42 H new ATOM 0 HG3 GLU A 53 7.528 1.506 11.213 1.00 74.42 H new TER 857 GLU A 53 ATOM 858 N MET B 201 -24.274 -12.218 -2.711 1.00 43.31 N ATOM 859 CA MET B 201 -24.634 -12.612 -4.075 1.00 35.22 C ATOM 860 C MET B 201 -25.139 -14.067 -4.093 1.00 1.01 C ATOM 861 O MET B 201 -26.336 -14.319 -3.963 1.00 44.33 O ATOM 862 CB MET B 201 -23.446 -12.451 -5.042 1.00 13.44 C ATOM 863 CG MET B 201 -22.710 -11.124 -4.913 1.00 73.34 C ATOM 864 SD MET B 201 -21.812 -10.987 -3.352 1.00 33.03 S ATOM 865 CE MET B 201 -21.051 -9.374 -3.535 1.00 72.10 C ATOM 0 HA MET B 201 -25.432 -11.951 -4.413 1.00 35.22 H new ATOM 0 HB2 MET B 201 -22.740 -13.263 -4.870 1.00 13.44 H new ATOM 0 HB3 MET B 201 -23.808 -12.555 -6.065 1.00 13.44 H new ATOM 0 HG2 MET B 201 -22.011 -11.017 -5.742 1.00 73.34 H new ATOM 0 HG3 MET B 201 -23.425 -10.305 -4.991 1.00 73.34 H new ATOM 0 HE1 MET B 201 -20.461 -9.147 -2.647 1.00 72.10 H new ATOM 0 HE2 MET B 201 -20.402 -9.375 -4.411 1.00 72.10 H new ATOM 0 HE3 MET B 201 -21.826 -8.618 -3.658 1.00 72.10 H new ATOM 875 N VAL B 202 -24.212 -15.020 -4.230 1.00 30.34 N ATOM 876 CA VAL B 202 -24.545 -16.458 -4.219 1.00 23.45 C ATOM 877 C VAL B 202 -23.437 -17.278 -3.536 1.00 65.12 C ATOM 878 O VAL B 202 -23.351 -18.497 -3.706 1.00 53.03 O ATOM 879 CB VAL B 202 -24.769 -17.019 -5.652 1.00 52.52 C ATOM 880 CG1 VAL B 202 -25.970 -16.360 -6.329 1.00 62.11 C ATOM 881 CG2 VAL B 202 -23.514 -16.850 -6.501 1.00 23.35 C ATOM 0 H VAL B 202 -23.218 -14.825 -4.351 1.00 30.34 H new ATOM 0 HA VAL B 202 -25.474 -16.551 -3.657 1.00 23.45 H new ATOM 0 HB VAL B 202 -24.983 -18.084 -5.559 1.00 52.52 H new ATOM 0 HG11 VAL B 202 -26.097 -16.776 -7.329 1.00 62.11 H new ATOM 0 HG12 VAL B 202 -26.868 -16.548 -5.741 1.00 62.11 H new ATOM 0 HG13 VAL B 202 -25.802 -15.285 -6.402 1.00 62.11 H new ATOM 0 HG21 VAL B 202 -23.694 -17.249 -7.499 1.00 23.35 H new ATOM 0 HG22 VAL B 202 -23.263 -15.792 -6.573 1.00 23.35 H new ATOM 0 HG23 VAL B 202 -22.687 -17.388 -6.038 1.00 23.35 H new ATOM 891 N GLY B 203 -22.599 -16.604 -2.751 1.00 43.30 N ATOM 892 CA GLY B 203 -21.486 -17.268 -2.082 1.00 21.35 C ATOM 893 C GLY B 203 -20.192 -17.238 -2.894 1.00 5.42 C ATOM 894 O GLY B 203 -19.373 -18.157 -2.802 1.00 74.12 O ATOM 0 H GLY B 203 -22.670 -15.604 -2.564 1.00 43.30 H new ATOM 0 HA2 GLY B 203 -21.313 -16.791 -1.117 1.00 21.35 H new ATOM 0 HA3 GLY B 203 -21.757 -18.304 -1.881 1.00 21.35 H new ATOM 898 N ARG B 204 -20.003 -16.181 -3.689 1.00 63.00 N ATOM 899 CA ARG B 204 -18.779 -16.020 -4.486 1.00 52.30 C ATOM 900 C ARG B 204 -17.623 -15.532 -3.600 1.00 14.01 C ATOM 901 O ARG B 204 -17.279 -14.348 -3.585 1.00 30.31 O ATOM 902 CB ARG B 204 -19.010 -15.048 -5.655 1.00 3.42 C ATOM 903 CG ARG B 204 -20.194 -15.421 -6.547 1.00 11.44 C ATOM 904 CD ARG B 204 -20.050 -16.818 -7.155 1.00 2.32 C ATOM 905 NE ARG B 204 -18.930 -16.907 -8.089 1.00 73.35 N ATOM 906 CZ ARG B 204 -18.693 -17.938 -8.856 1.00 25.31 C ATOM 907 NH1 ARG B 204 -19.447 -18.994 -8.801 1.00 41.24 N ATOM 908 NH2 ARG B 204 -17.696 -17.916 -9.679 1.00 1.11 N ATOM 0 H ARG B 204 -20.679 -15.425 -3.799 1.00 63.00 H new ATOM 0 HA ARG B 204 -18.512 -16.992 -4.901 1.00 52.30 H new ATOM 0 HB2 ARG B 204 -19.170 -14.047 -5.256 1.00 3.42 H new ATOM 0 HB3 ARG B 204 -18.107 -15.007 -6.265 1.00 3.42 H new ATOM 0 HG2 ARG B 204 -21.114 -15.375 -5.964 1.00 11.44 H new ATOM 0 HG3 ARG B 204 -20.287 -14.687 -7.348 1.00 11.44 H new ATOM 0 HD2 ARG B 204 -19.912 -17.546 -6.356 1.00 2.32 H new ATOM 0 HD3 ARG B 204 -20.972 -17.083 -7.672 1.00 2.32 H new ATOM 0 HE ARG B 204 -18.292 -16.113 -8.146 1.00 73.35 H new ATOM 0 HH11 ARG B 204 -20.235 -19.025 -8.154 1.00 41.24 H new ATOM 0 HH12 ARG B 204 -19.251 -19.792 -9.405 1.00 41.24 H new ATOM 0 HH21 ARG B 204 -17.094 -17.094 -9.730 1.00 1.11 H new ATOM 0 HH22 ARG B 204 -17.511 -18.721 -10.278 1.00 1.11 H new ATOM 922 N ARG B 205 -17.045 -16.460 -2.848 1.00 41.32 N ATOM 923 CA ARG B 205 -16.021 -16.139 -1.849 1.00 72.34 C ATOM 924 C ARG B 205 -14.601 -16.441 -2.357 1.00 54.34 C ATOM 925 O ARG B 205 -14.409 -17.294 -3.226 1.00 32.21 O ATOM 926 CB ARG B 205 -16.295 -16.938 -0.567 1.00 45.12 C ATOM 927 CG ARG B 205 -16.394 -18.449 -0.788 1.00 4.04 C ATOM 928 CD ARG B 205 -16.693 -19.195 0.507 1.00 12.33 C ATOM 929 NE ARG B 205 -16.904 -20.625 0.292 1.00 71.44 N ATOM 930 CZ ARG B 205 -17.290 -21.456 1.222 1.00 12.43 C ATOM 931 NH1 ARG B 205 -17.467 -21.051 2.442 1.00 51.14 N ATOM 932 NH2 ARG B 205 -17.493 -22.699 0.934 1.00 61.32 N ATOM 0 H ARG B 205 -17.268 -17.453 -2.909 1.00 41.32 H new ATOM 0 HA ARG B 205 -16.074 -15.069 -1.647 1.00 72.34 H new ATOM 0 HB2 ARG B 205 -15.500 -16.737 0.152 1.00 45.12 H new ATOM 0 HB3 ARG B 205 -17.225 -16.584 -0.122 1.00 45.12 H new ATOM 0 HG2 ARG B 205 -17.177 -18.659 -1.517 1.00 4.04 H new ATOM 0 HG3 ARG B 205 -15.459 -18.816 -1.211 1.00 4.04 H new ATOM 0 HD2 ARG B 205 -15.867 -19.053 1.203 1.00 12.33 H new ATOM 0 HD3 ARG B 205 -17.580 -18.766 0.973 1.00 12.33 H new ATOM 0 HE ARG B 205 -16.739 -20.997 -0.643 1.00 71.44 H new ATOM 0 HH11 ARG B 205 -17.304 -20.073 2.684 1.00 51.14 H new ATOM 0 HH12 ARG B 205 -17.769 -21.710 3.159 1.00 51.14 H new ATOM 0 HH21 ARG B 205 -17.352 -23.031 -0.020 1.00 61.32 H new ATOM 0 HH22 ARG B 205 -17.795 -23.348 1.661 1.00 61.32 H new ATOM 946 N PRO B 206 -13.585 -15.733 -1.825 1.00 62.54 N ATOM 947 CA PRO B 206 -12.176 -16.027 -2.129 1.00 51.33 C ATOM 948 C PRO B 206 -11.678 -17.303 -1.417 1.00 20.42 C ATOM 949 O PRO B 206 -11.652 -17.371 -0.188 1.00 65.42 O ATOM 950 CB PRO B 206 -11.445 -14.783 -1.604 1.00 60.33 C ATOM 951 CG PRO B 206 -12.310 -14.271 -0.500 1.00 13.44 C ATOM 952 CD PRO B 206 -13.728 -14.580 -0.908 1.00 51.03 C ATOM 0 HA PRO B 206 -12.009 -16.220 -3.189 1.00 51.33 H new ATOM 0 HB2 PRO B 206 -10.448 -15.033 -1.242 1.00 60.33 H new ATOM 0 HB3 PRO B 206 -11.321 -14.036 -2.388 1.00 60.33 H new ATOM 0 HG2 PRO B 206 -12.062 -14.753 0.446 1.00 13.44 H new ATOM 0 HG3 PRO B 206 -12.169 -13.199 -0.358 1.00 13.44 H new ATOM 0 HD2 PRO B 206 -14.348 -14.828 -0.046 1.00 51.03 H new ATOM 0 HD3 PRO B 206 -14.197 -13.730 -1.404 1.00 51.03 H new ATOM 960 N GLY B 207 -11.288 -18.311 -2.193 1.00 65.34 N ATOM 961 CA GLY B 207 -10.838 -19.581 -1.623 1.00 42.50 C ATOM 962 C GLY B 207 -9.567 -20.112 -2.283 1.00 71.31 C ATOM 963 O GLY B 207 -9.606 -20.610 -3.411 1.00 1.10 O ATOM 0 H GLY B 207 -11.274 -18.275 -3.212 1.00 65.34 H new ATOM 0 HA2 GLY B 207 -10.660 -19.451 -0.555 1.00 42.50 H new ATOM 0 HA3 GLY B 207 -11.631 -20.321 -1.726 1.00 42.50 H new ATOM 967 N GLY B 208 -8.441 -20.006 -1.578 1.00 51.04 N ATOM 968 CA GLY B 208 -7.155 -20.437 -2.122 1.00 40.11 C ATOM 969 C GLY B 208 -6.033 -19.462 -1.785 1.00 44.23 C ATOM 970 O GLY B 208 -4.995 -19.851 -1.252 1.00 14.21 O ATOM 0 H GLY B 208 -8.394 -19.627 -0.632 1.00 51.04 H new ATOM 0 HA2 GLY B 208 -6.908 -21.423 -1.729 1.00 40.11 H new ATOM 0 HA3 GLY B 208 -7.235 -20.537 -3.204 1.00 40.11 H new ATOM 974 N GLY B 209 -6.246 -18.184 -2.097 1.00 1.12 N ATOM 975 CA GLY B 209 -5.273 -17.146 -1.761 1.00 61.52 C ATOM 976 C GLY B 209 -4.411 -16.700 -2.943 1.00 55.33 C ATOM 977 O GLY B 209 -3.560 -15.820 -2.797 1.00 3.44 O ATOM 0 H GLY B 209 -7.078 -17.844 -2.579 1.00 1.12 H new ATOM 0 HA2 GLY B 209 -5.802 -16.280 -1.363 1.00 61.52 H new ATOM 0 HA3 GLY B 209 -4.622 -17.514 -0.968 1.00 61.52 H new ATOM 981 N LEU B 210 -4.626 -17.300 -4.113 1.00 2.32 N ATOM 982 CA LEU B 210 -3.849 -16.957 -5.315 1.00 43.42 C ATOM 983 C LEU B 210 -4.713 -16.205 -6.349 1.00 32.15 C ATOM 984 O LEU B 210 -4.599 -14.987 -6.502 1.00 2.40 O ATOM 985 CB LEU B 210 -3.250 -18.228 -5.942 1.00 42.31 C ATOM 986 CG LEU B 210 -2.321 -19.046 -5.026 1.00 4.22 C ATOM 987 CD1 LEU B 210 -1.825 -20.304 -5.739 1.00 65.31 C ATOM 988 CD2 LEU B 210 -1.142 -18.195 -4.554 1.00 63.01 C ATOM 0 H LEU B 210 -5.329 -18.025 -4.259 1.00 2.32 H new ATOM 0 HA LEU B 210 -3.039 -16.294 -5.012 1.00 43.42 H new ATOM 0 HB2 LEU B 210 -4.068 -18.871 -6.268 1.00 42.31 H new ATOM 0 HB3 LEU B 210 -2.693 -17.944 -6.834 1.00 42.31 H new ATOM 0 HG LEU B 210 -2.893 -19.354 -4.151 1.00 4.22 H new ATOM 0 HD11 LEU B 210 -1.171 -20.866 -5.073 1.00 65.31 H new ATOM 0 HD12 LEU B 210 -2.677 -20.924 -6.018 1.00 65.31 H new ATOM 0 HD13 LEU B 210 -1.273 -20.021 -6.635 1.00 65.31 H new ATOM 0 HD21 LEU B 210 -0.498 -18.792 -3.908 1.00 63.01 H new ATOM 0 HD22 LEU B 210 -0.572 -17.852 -5.418 1.00 63.01 H new ATOM 0 HD23 LEU B 210 -1.514 -17.334 -3.999 1.00 63.01 H new ATOM 1000 N LYS B 211 -5.581 -16.941 -7.047 1.00 53.42 N ATOM 1001 CA LYS B 211 -6.531 -16.350 -8.011 1.00 62.03 C ATOM 1002 C LYS B 211 -7.470 -15.341 -7.323 1.00 72.03 C ATOM 1003 O LYS B 211 -8.050 -14.458 -7.962 1.00 72.44 O ATOM 1004 CB LYS B 211 -7.389 -17.465 -8.631 1.00 5.33 C ATOM 1005 CG LYS B 211 -8.386 -18.064 -7.639 1.00 5.32 C ATOM 1006 CD LYS B 211 -9.150 -19.250 -8.210 1.00 51.41 C ATOM 1007 CE LYS B 211 -10.259 -19.711 -7.261 1.00 3.33 C ATOM 1008 NZ LYS B 211 -9.752 -19.979 -5.886 1.00 13.10 N ATOM 0 H LYS B 211 -5.651 -17.955 -6.966 1.00 53.42 H new ATOM 0 HA LYS B 211 -5.954 -15.832 -8.777 1.00 62.03 H new ATOM 0 HB2 LYS B 211 -7.931 -17.066 -9.488 1.00 5.33 H new ATOM 0 HB3 LYS B 211 -6.737 -18.254 -9.005 1.00 5.33 H new ATOM 0 HG2 LYS B 211 -7.853 -18.379 -6.742 1.00 5.32 H new ATOM 0 HG3 LYS B 211 -9.095 -17.294 -7.335 1.00 5.32 H new ATOM 0 HD2 LYS B 211 -9.583 -18.976 -9.172 1.00 51.41 H new ATOM 0 HD3 LYS B 211 -8.461 -20.074 -8.394 1.00 51.41 H new ATOM 0 HE2 LYS B 211 -11.036 -18.948 -7.217 1.00 3.33 H new ATOM 0 HE3 LYS B 211 -10.721 -20.615 -7.658 1.00 3.33 H new ATOM 0 HZ1 LYS B 211 -10.162 -20.867 -5.532 1.00 13.10 H new ATOM 0 HZ2 LYS B 211 -8.715 -20.061 -5.908 1.00 13.10 H new ATOM 0 HZ3 LYS B 211 -10.024 -19.197 -5.257 1.00 13.10 H new ATOM 1022 N ASP B 212 -7.599 -15.495 -6.011 1.00 41.11 N ATOM 1023 CA ASP B 212 -8.589 -14.777 -5.206 1.00 40.23 C ATOM 1024 C ASP B 212 -8.109 -13.367 -4.812 1.00 73.31 C ATOM 1025 O ASP B 212 -8.532 -12.818 -3.796 1.00 42.34 O ATOM 1026 CB ASP B 212 -8.871 -15.616 -3.957 1.00 70.02 C ATOM 1027 CG ASP B 212 -8.972 -17.094 -4.293 1.00 43.53 C ATOM 1028 OD1 ASP B 212 -7.920 -17.770 -4.317 1.00 74.01 O ATOM 1029 OD2 ASP B 212 -10.087 -17.579 -4.564 1.00 71.14 O ATOM 0 H ASP B 212 -7.014 -16.129 -5.466 1.00 41.11 H new ATOM 0 HA ASP B 212 -9.496 -14.638 -5.795 1.00 40.23 H new ATOM 0 HB2 ASP B 212 -8.077 -15.461 -3.226 1.00 70.02 H new ATOM 0 HB3 ASP B 212 -9.800 -15.282 -3.495 1.00 70.02 H new ATOM 1034 N THR B 213 -7.239 -12.777 -5.630 1.00 0.12 N ATOM 1035 CA THR B 213 -6.683 -11.447 -5.346 1.00 70.25 C ATOM 1036 C THR B 213 -6.795 -10.520 -6.562 1.00 4.42 C ATOM 1037 O THR B 213 -6.448 -10.899 -7.684 1.00 24.52 O ATOM 1038 CB THR B 213 -5.197 -11.529 -4.916 1.00 72.22 C ATOM 1039 OG1 THR B 213 -4.406 -12.127 -5.956 1.00 2.01 O ATOM 1040 CG2 THR B 213 -5.040 -12.328 -3.627 1.00 40.22 C ATOM 0 H THR B 213 -6.901 -13.196 -6.496 1.00 0.12 H new ATOM 0 HA THR B 213 -7.271 -11.037 -4.525 1.00 70.25 H new ATOM 0 HB THR B 213 -4.847 -10.512 -4.737 1.00 72.22 H new ATOM 0 HG1 THR B 213 -4.595 -13.088 -5.999 1.00 2.01 H new ATOM 0 HG21 THR B 213 -3.987 -12.368 -3.350 1.00 40.22 H new ATOM 0 HG22 THR B 213 -5.607 -11.847 -2.830 1.00 40.22 H new ATOM 0 HG23 THR B 213 -5.414 -13.340 -3.779 1.00 40.22 H new ATOM 1048 N LYS B 214 -7.289 -9.303 -6.336 1.00 22.31 N ATOM 1049 CA LYS B 214 -7.435 -8.312 -7.410 1.00 65.21 C ATOM 1050 C LYS B 214 -6.295 -7.275 -7.335 1.00 73.30 C ATOM 1051 O LYS B 214 -5.820 -6.947 -6.243 1.00 33.13 O ATOM 1052 CB LYS B 214 -8.805 -7.608 -7.311 1.00 45.22 C ATOM 1053 CG LYS B 214 -9.952 -8.515 -6.851 1.00 50.12 C ATOM 1054 CD LYS B 214 -10.166 -9.734 -7.755 1.00 32.25 C ATOM 1055 CE LYS B 214 -10.877 -9.393 -9.065 1.00 4.22 C ATOM 1056 NZ LYS B 214 -10.049 -8.549 -9.965 1.00 31.13 N ATOM 0 H LYS B 214 -7.596 -8.976 -5.420 1.00 22.31 H new ATOM 0 HA LYS B 214 -7.379 -8.827 -8.369 1.00 65.21 H new ATOM 0 HB2 LYS B 214 -8.720 -6.771 -6.618 1.00 45.22 H new ATOM 0 HB3 LYS B 214 -9.057 -7.191 -8.286 1.00 45.22 H new ATOM 0 HG2 LYS B 214 -9.750 -8.856 -5.836 1.00 50.12 H new ATOM 0 HG3 LYS B 214 -10.873 -7.933 -6.815 1.00 50.12 H new ATOM 0 HD2 LYS B 214 -9.200 -10.186 -7.980 1.00 32.25 H new ATOM 0 HD3 LYS B 214 -10.749 -10.481 -7.216 1.00 32.25 H new ATOM 0 HE2 LYS B 214 -11.141 -10.316 -9.581 1.00 4.22 H new ATOM 0 HE3 LYS B 214 -11.809 -8.874 -8.843 1.00 4.22 H new ATOM 0 HZ1 LYS B 214 -10.208 -8.834 -10.952 1.00 31.13 H new ATOM 0 HZ2 LYS B 214 -10.315 -7.551 -9.846 1.00 31.13 H new ATOM 0 HZ3 LYS B 214 -9.044 -8.671 -9.727 1.00 31.13 H new ATOM 1070 N PRO B 215 -5.834 -6.749 -8.489 1.00 43.34 N ATOM 1071 CA PRO B 215 -4.701 -5.809 -8.539 1.00 41.33 C ATOM 1072 C PRO B 215 -5.071 -4.379 -8.099 1.00 53.03 C ATOM 1073 O PRO B 215 -5.834 -3.681 -8.774 1.00 41.52 O ATOM 1074 CB PRO B 215 -4.303 -5.840 -10.018 1.00 32.40 C ATOM 1075 CG PRO B 215 -5.577 -6.124 -10.742 1.00 40.40 C ATOM 1076 CD PRO B 215 -6.382 -7.022 -9.834 1.00 52.32 C ATOM 0 HA PRO B 215 -3.904 -6.095 -7.852 1.00 41.33 H new ATOM 0 HB2 PRO B 215 -3.871 -4.890 -10.333 1.00 32.40 H new ATOM 0 HB3 PRO B 215 -3.556 -6.610 -10.212 1.00 32.40 H new ATOM 0 HG2 PRO B 215 -6.117 -5.202 -10.957 1.00 40.40 H new ATOM 0 HG3 PRO B 215 -5.382 -6.610 -11.698 1.00 40.40 H new ATOM 0 HD2 PRO B 215 -7.446 -6.793 -9.886 1.00 52.32 H new ATOM 0 HD3 PRO B 215 -6.268 -8.071 -10.106 1.00 52.32 H new ATOM 1084 N VAL B 216 -4.527 -3.954 -6.962 1.00 5.43 N ATOM 1085 CA VAL B 216 -4.738 -2.595 -6.449 1.00 60.41 C ATOM 1086 C VAL B 216 -3.466 -1.746 -6.617 1.00 30.24 C ATOM 1087 O VAL B 216 -2.423 -2.056 -6.042 1.00 50.33 O ATOM 1088 CB VAL B 216 -5.141 -2.617 -4.950 1.00 15.14 C ATOM 1089 CG1 VAL B 216 -5.418 -1.204 -4.435 1.00 20.11 C ATOM 1090 CG2 VAL B 216 -6.352 -3.526 -4.731 1.00 21.31 C ATOM 0 H VAL B 216 -3.931 -4.534 -6.371 1.00 5.43 H new ATOM 0 HA VAL B 216 -5.549 -2.152 -7.027 1.00 60.41 H new ATOM 0 HB VAL B 216 -4.304 -3.021 -4.380 1.00 15.14 H new ATOM 0 HG11 VAL B 216 -5.698 -1.249 -3.383 1.00 20.11 H new ATOM 0 HG12 VAL B 216 -4.522 -0.594 -4.546 1.00 20.11 H new ATOM 0 HG13 VAL B 216 -6.232 -0.761 -5.009 1.00 20.11 H new ATOM 0 HG21 VAL B 216 -6.619 -3.528 -3.674 1.00 21.31 H new ATOM 0 HG22 VAL B 216 -7.194 -3.158 -5.317 1.00 21.31 H new ATOM 0 HG23 VAL B 216 -6.107 -4.541 -5.045 1.00 21.31 H new ATOM 1100 N VAL B 217 -3.549 -0.682 -7.410 1.00 71.14 N ATOM 1101 CA VAL B 217 -2.392 0.188 -7.658 1.00 53.43 C ATOM 1102 C VAL B 217 -2.354 1.361 -6.666 1.00 30.35 C ATOM 1103 O VAL B 217 -3.188 2.272 -6.727 1.00 10.34 O ATOM 1104 CB VAL B 217 -2.397 0.741 -9.104 1.00 41.10 C ATOM 1105 CG1 VAL B 217 -1.141 1.573 -9.372 1.00 12.11 C ATOM 1106 CG2 VAL B 217 -2.530 -0.396 -10.119 1.00 23.24 C ATOM 0 H VAL B 217 -4.401 -0.397 -7.893 1.00 71.14 H new ATOM 0 HA VAL B 217 -1.502 -0.426 -7.519 1.00 53.43 H new ATOM 0 HB VAL B 217 -3.262 1.394 -9.216 1.00 41.10 H new ATOM 0 HG11 VAL B 217 -1.166 1.951 -10.394 1.00 12.11 H new ATOM 0 HG12 VAL B 217 -1.104 2.411 -8.676 1.00 12.11 H new ATOM 0 HG13 VAL B 217 -0.257 0.950 -9.237 1.00 12.11 H new ATOM 0 HG21 VAL B 217 -2.531 0.016 -11.128 1.00 23.24 H new ATOM 0 HG22 VAL B 217 -1.691 -1.083 -10.008 1.00 23.24 H new ATOM 0 HG23 VAL B 217 -3.463 -0.932 -9.945 1.00 23.24 H new ATOM 1116 N VAL B 218 -1.388 1.333 -5.752 1.00 44.41 N ATOM 1117 CA VAL B 218 -1.237 2.382 -4.739 1.00 74.11 C ATOM 1118 C VAL B 218 0.006 3.249 -4.995 1.00 60.34 C ATOM 1119 O VAL B 218 1.042 2.760 -5.443 1.00 34.13 O ATOM 1120 CB VAL B 218 -1.158 1.781 -3.312 1.00 11.21 C ATOM 1121 CG1 VAL B 218 0.006 0.794 -3.193 1.00 34.33 C ATOM 1122 CG2 VAL B 218 -1.048 2.891 -2.267 1.00 54.45 C ATOM 0 H VAL B 218 -0.691 0.591 -5.690 1.00 44.41 H new ATOM 0 HA VAL B 218 -2.123 3.013 -4.813 1.00 74.11 H new ATOM 0 HB VAL B 218 -2.079 1.228 -3.125 1.00 11.21 H new ATOM 0 HG11 VAL B 218 0.037 0.388 -2.182 1.00 34.33 H new ATOM 0 HG12 VAL B 218 -0.132 -0.019 -3.906 1.00 34.33 H new ATOM 0 HG13 VAL B 218 0.943 1.309 -3.406 1.00 34.33 H new ATOM 0 HG21 VAL B 218 -0.994 2.450 -1.272 1.00 54.45 H new ATOM 0 HG22 VAL B 218 -0.149 3.478 -2.453 1.00 54.45 H new ATOM 0 HG23 VAL B 218 -1.923 3.538 -2.330 1.00 54.45 H new ATOM 1132 N ARG B 219 -0.110 4.542 -4.716 1.00 34.23 N ATOM 1133 CA ARG B 219 1.015 5.468 -4.864 1.00 2.33 C ATOM 1134 C ARG B 219 1.885 5.511 -3.592 1.00 63.03 C ATOM 1135 O ARG B 219 1.456 6.010 -2.552 1.00 0.44 O ATOM 1136 CB ARG B 219 0.501 6.874 -5.198 1.00 61.32 C ATOM 1137 CG ARG B 219 -0.156 6.993 -6.572 1.00 72.00 C ATOM 1138 CD ARG B 219 -0.482 8.443 -6.911 1.00 22.14 C ATOM 1139 NE ARG B 219 -0.986 8.590 -8.278 1.00 34.30 N ATOM 1140 CZ ARG B 219 -0.324 9.165 -9.247 1.00 52.41 C ATOM 1141 NH1 ARG B 219 0.883 9.602 -9.056 1.00 74.22 N ATOM 1142 NH2 ARG B 219 -0.869 9.293 -10.415 1.00 43.12 N ATOM 0 H ARG B 219 -0.971 4.977 -4.385 1.00 34.23 H new ATOM 0 HA ARG B 219 1.638 5.107 -5.683 1.00 2.33 H new ATOM 0 HB2 ARG B 219 -0.219 7.175 -4.437 1.00 61.32 H new ATOM 0 HB3 ARG B 219 1.334 7.575 -5.145 1.00 61.32 H new ATOM 0 HG2 ARG B 219 0.509 6.581 -7.331 1.00 72.00 H new ATOM 0 HG3 ARG B 219 -1.070 6.399 -6.592 1.00 72.00 H new ATOM 0 HD2 ARG B 219 -1.225 8.821 -6.209 1.00 22.14 H new ATOM 0 HD3 ARG B 219 0.412 9.054 -6.787 1.00 22.14 H new ATOM 0 HE ARG B 219 -1.913 8.220 -8.487 1.00 34.30 H new ATOM 0 HH11 ARG B 219 1.324 9.498 -8.142 1.00 74.22 H new ATOM 0 HH12 ARG B 219 1.390 10.049 -9.820 1.00 74.22 H new ATOM 0 HH21 ARG B 219 -1.814 8.945 -10.578 1.00 43.12 H new ATOM 0 HH22 ARG B 219 -0.353 9.742 -11.172 1.00 43.12 H new ATOM 1156 N LEU B 220 3.112 4.999 -3.692 1.00 72.12 N ATOM 1157 CA LEU B 220 4.052 4.960 -2.556 1.00 12.45 C ATOM 1158 C LEU B 220 5.347 5.730 -2.887 1.00 65.34 C ATOM 1159 O LEU B 220 5.811 5.710 -4.030 1.00 41.41 O ATOM 1160 CB LEU B 220 4.376 3.495 -2.206 1.00 32.23 C ATOM 1161 CG LEU B 220 5.312 3.280 -1.001 1.00 5.41 C ATOM 1162 CD1 LEU B 220 4.697 3.843 0.278 1.00 20.53 C ATOM 1163 CD2 LEU B 220 5.645 1.797 -0.828 1.00 2.54 C ATOM 0 H LEU B 220 3.487 4.601 -4.553 1.00 72.12 H new ATOM 0 HA LEU B 220 3.584 5.442 -1.697 1.00 12.45 H new ATOM 0 HB2 LEU B 220 3.439 2.973 -2.011 1.00 32.23 H new ATOM 0 HB3 LEU B 220 4.827 3.025 -3.080 1.00 32.23 H new ATOM 0 HG LEU B 220 6.239 3.819 -1.198 1.00 5.41 H new ATOM 0 HD11 LEU B 220 5.378 3.678 1.113 1.00 20.53 H new ATOM 0 HD12 LEU B 220 4.523 4.912 0.158 1.00 20.53 H new ATOM 0 HD13 LEU B 220 3.750 3.341 0.478 1.00 20.53 H new ATOM 0 HD21 LEU B 220 6.307 1.670 0.029 1.00 2.54 H new ATOM 0 HD22 LEU B 220 4.726 1.235 -0.663 1.00 2.54 H new ATOM 0 HD23 LEU B 220 6.140 1.428 -1.726 1.00 2.54 H new ATOM 1175 N TYR B 221 5.930 6.410 -1.894 1.00 24.34 N ATOM 1176 CA TYR B 221 7.155 7.197 -2.112 1.00 65.03 C ATOM 1177 C TYR B 221 8.383 6.297 -2.332 1.00 22.44 C ATOM 1178 O TYR B 221 8.574 5.304 -1.624 1.00 31.22 O ATOM 1179 CB TYR B 221 7.401 8.151 -0.931 1.00 12.42 C ATOM 1180 CG TYR B 221 6.434 9.320 -0.885 1.00 55.53 C ATOM 1181 CD1 TYR B 221 5.230 9.237 -0.193 1.00 33.45 C ATOM 1182 CD2 TYR B 221 6.725 10.503 -1.554 1.00 55.54 C ATOM 1183 CE1 TYR B 221 4.346 10.300 -0.170 1.00 33.51 C ATOM 1184 CE2 TYR B 221 5.851 11.570 -1.531 1.00 64.40 C ATOM 1185 CZ TYR B 221 4.662 11.465 -0.842 1.00 24.20 C ATOM 1186 OH TYR B 221 3.784 12.526 -0.838 1.00 74.24 O ATOM 0 H TYR B 221 5.579 6.433 -0.937 1.00 24.34 H new ATOM 0 HA TYR B 221 7.007 7.783 -3.019 1.00 65.03 H new ATOM 0 HB2 TYR B 221 7.325 7.590 0.001 1.00 12.42 H new ATOM 0 HB3 TYR B 221 8.420 8.534 -0.990 1.00 12.42 H new ATOM 0 HD1 TYR B 221 4.982 8.328 0.335 1.00 33.45 H new ATOM 0 HD2 TYR B 221 7.652 10.588 -2.102 1.00 55.54 H new ATOM 0 HE1 TYR B 221 3.414 10.220 0.370 1.00 33.51 H new ATOM 0 HE2 TYR B 221 6.097 12.484 -2.051 1.00 64.40 H new ATOM 0 HH TYR B 221 3.612 12.812 -1.759 1.00 74.24 H new ATOM 1196 N PRO B 222 9.252 6.645 -3.310 1.00 2.35 N ATOM 1197 CA PRO B 222 10.454 5.850 -3.631 1.00 51.30 C ATOM 1198 C PRO B 222 11.378 5.656 -2.417 1.00 54.44 C ATOM 1199 O PRO B 222 12.045 4.628 -2.288 1.00 74.53 O ATOM 1200 CB PRO B 222 11.155 6.671 -4.731 1.00 11.13 C ATOM 1201 CG PRO B 222 10.555 8.038 -4.642 1.00 51.11 C ATOM 1202 CD PRO B 222 9.143 7.835 -4.172 1.00 13.21 C ATOM 0 HA PRO B 222 10.196 4.839 -3.945 1.00 51.30 H new ATOM 0 HB2 PRO B 222 12.233 6.703 -4.572 1.00 11.13 H new ATOM 0 HB3 PRO B 222 10.991 6.232 -5.715 1.00 11.13 H new ATOM 0 HG2 PRO B 222 11.112 8.665 -3.946 1.00 51.11 H new ATOM 0 HG3 PRO B 222 10.577 8.538 -5.610 1.00 51.11 H new ATOM 0 HD2 PRO B 222 8.772 8.700 -3.622 1.00 13.21 H new ATOM 0 HD3 PRO B 222 8.460 7.670 -5.005 1.00 13.21 H new ATOM 1210 N ASP B 223 11.400 6.649 -1.530 1.00 61.20 N ATOM 1211 CA ASP B 223 12.193 6.580 -0.298 1.00 45.12 C ATOM 1212 C ASP B 223 11.705 5.433 0.599 1.00 55.35 C ATOM 1213 O ASP B 223 12.499 4.712 1.210 1.00 43.43 O ATOM 1214 CB ASP B 223 12.080 7.897 0.473 1.00 74.30 C ATOM 1215 CG ASP B 223 12.162 9.112 -0.428 1.00 53.24 C ATOM 1216 OD1 ASP B 223 13.179 9.273 -1.129 1.00 5.04 O ATOM 1217 OD2 ASP B 223 11.213 9.917 -0.419 1.00 14.34 O ATOM 0 H ASP B 223 10.875 7.517 -1.640 1.00 61.20 H new ATOM 0 HA ASP B 223 13.232 6.401 -0.574 1.00 45.12 H new ATOM 0 HB2 ASP B 223 11.135 7.915 1.016 1.00 74.30 H new ATOM 0 HB3 ASP B 223 12.875 7.947 1.217 1.00 74.30 H new ATOM 1222 N GLU B 224 10.386 5.286 0.675 1.00 22.50 N ATOM 1223 CA GLU B 224 9.758 4.236 1.479 1.00 21.20 C ATOM 1224 C GLU B 224 9.974 2.858 0.839 1.00 41.00 C ATOM 1225 O GLU B 224 10.261 1.879 1.527 1.00 55.14 O ATOM 1226 CB GLU B 224 8.263 4.528 1.636 1.00 2.23 C ATOM 1227 CG GLU B 224 7.976 5.891 2.256 1.00 10.45 C ATOM 1228 CD GLU B 224 6.490 6.150 2.442 1.00 62.05 C ATOM 1229 OE1 GLU B 224 5.831 6.570 1.464 1.00 60.24 O ATOM 1230 OE2 GLU B 224 5.983 5.935 3.565 1.00 11.13 O ATOM 0 H GLU B 224 9.723 5.886 0.185 1.00 22.50 H new ATOM 0 HA GLU B 224 10.222 4.225 2.465 1.00 21.20 H new ATOM 0 HB2 GLU B 224 7.785 4.474 0.658 1.00 2.23 H new ATOM 0 HB3 GLU B 224 7.812 3.753 2.255 1.00 2.23 H new ATOM 0 HG2 GLU B 224 8.476 5.959 3.222 1.00 10.45 H new ATOM 0 HG3 GLU B 224 8.400 6.670 1.623 1.00 10.45 H new ATOM 1237 N ILE B 225 9.837 2.796 -0.486 1.00 10.04 N ATOM 1238 CA ILE B 225 10.163 1.581 -1.246 1.00 4.24 C ATOM 1239 C ILE B 225 11.619 1.156 -0.981 1.00 72.53 C ATOM 1240 O ILE B 225 11.921 -0.028 -0.798 1.00 34.41 O ATOM 1241 CB ILE B 225 9.967 1.803 -2.769 1.00 23.52 C ATOM 1242 CG1 ILE B 225 8.532 2.271 -3.068 1.00 42.12 C ATOM 1243 CG2 ILE B 225 10.296 0.526 -3.548 1.00 0.12 C ATOM 1244 CD1 ILE B 225 8.285 2.611 -4.525 1.00 0.01 C ATOM 0 H ILE B 225 9.503 3.571 -1.058 1.00 10.04 H new ATOM 0 HA ILE B 225 9.485 0.794 -0.914 1.00 4.24 H new ATOM 0 HB ILE B 225 10.654 2.585 -3.093 1.00 23.52 H new ATOM 0 HG12 ILE B 225 7.835 1.489 -2.765 1.00 42.12 H new ATOM 0 HG13 ILE B 225 8.312 3.148 -2.459 1.00 42.12 H new ATOM 0 HG21 ILE B 225 10.152 0.703 -4.614 1.00 0.12 H new ATOM 0 HG22 ILE B 225 11.333 0.244 -3.364 1.00 0.12 H new ATOM 0 HG23 ILE B 225 9.638 -0.279 -3.222 1.00 0.12 H new ATOM 0 HD11 ILE B 225 7.251 2.932 -4.654 1.00 0.01 H new ATOM 0 HD12 ILE B 225 8.955 3.415 -4.830 1.00 0.01 H new ATOM 0 HD13 ILE B 225 8.471 1.731 -5.141 1.00 0.01 H new ATOM 1256 N GLU B 226 12.511 2.146 -0.956 1.00 3.14 N ATOM 1257 CA GLU B 226 13.925 1.930 -0.636 1.00 33.32 C ATOM 1258 C GLU B 226 14.089 1.332 0.775 1.00 73.54 C ATOM 1259 O GLU B 226 14.722 0.290 0.957 1.00 22.14 O ATOM 1260 CB GLU B 226 14.681 3.269 -0.718 1.00 22.22 C ATOM 1261 CG GLU B 226 16.202 3.140 -0.683 1.00 15.51 C ATOM 1262 CD GLU B 226 16.801 2.776 -2.036 1.00 71.54 C ATOM 1263 OE1 GLU B 226 16.424 1.735 -2.605 1.00 23.22 O ATOM 1264 OE2 GLU B 226 17.663 3.529 -2.534 1.00 33.11 O ATOM 0 H GLU B 226 12.276 3.118 -1.156 1.00 3.14 H new ATOM 0 HA GLU B 226 14.337 1.225 -1.358 1.00 33.32 H new ATOM 0 HB2 GLU B 226 14.393 3.779 -1.638 1.00 22.22 H new ATOM 0 HB3 GLU B 226 14.363 3.902 0.110 1.00 22.22 H new ATOM 0 HG2 GLU B 226 16.633 4.082 -0.343 1.00 15.51 H new ATOM 0 HG3 GLU B 226 16.480 2.380 0.047 1.00 15.51 H new ATOM 1271 N ALA B 227 13.497 2.005 1.767 1.00 24.33 N ATOM 1272 CA ALA B 227 13.557 1.562 3.168 1.00 72.21 C ATOM 1273 C ALA B 227 12.869 0.199 3.373 1.00 3.33 C ATOM 1274 O ALA B 227 13.246 -0.574 4.257 1.00 23.13 O ATOM 1275 CB ALA B 227 12.920 2.617 4.073 1.00 55.43 C ATOM 0 H ALA B 227 12.967 2.865 1.626 1.00 24.33 H new ATOM 0 HA ALA B 227 14.607 1.438 3.433 1.00 72.21 H new ATOM 0 HB1 ALA B 227 12.967 2.284 5.110 1.00 55.43 H new ATOM 0 HB2 ALA B 227 13.459 3.559 3.970 1.00 55.43 H new ATOM 0 HB3 ALA B 227 11.879 2.762 3.786 1.00 55.43 H new ATOM 1281 N LEU B 228 11.863 -0.084 2.548 1.00 22.51 N ATOM 1282 CA LEU B 228 11.124 -1.348 2.614 1.00 31.23 C ATOM 1283 C LEU B 228 12.047 -2.547 2.336 1.00 51.23 C ATOM 1284 O LEU B 228 12.379 -3.312 3.246 1.00 55.43 O ATOM 1285 CB LEU B 228 9.958 -1.326 1.610 1.00 51.35 C ATOM 1286 CG LEU B 228 9.047 -2.565 1.611 1.00 3.15 C ATOM 1287 CD1 LEU B 228 8.341 -2.724 2.955 1.00 63.13 C ATOM 1288 CD2 LEU B 228 8.031 -2.481 0.477 1.00 72.05 C ATOM 0 H LEU B 228 11.537 0.550 1.819 1.00 22.51 H new ATOM 0 HA LEU B 228 10.726 -1.460 3.623 1.00 31.23 H new ATOM 0 HB2 LEU B 228 9.345 -0.448 1.814 1.00 51.35 H new ATOM 0 HB3 LEU B 228 10.369 -1.202 0.608 1.00 51.35 H new ATOM 0 HG LEU B 228 9.671 -3.445 1.453 1.00 3.15 H new ATOM 0 HD11 LEU B 228 7.703 -3.608 2.929 1.00 63.13 H new ATOM 0 HD12 LEU B 228 9.084 -2.836 3.745 1.00 63.13 H new ATOM 0 HD13 LEU B 228 7.731 -1.842 3.152 1.00 63.13 H new ATOM 0 HD21 LEU B 228 7.395 -3.366 0.492 1.00 72.05 H new ATOM 0 HD22 LEU B 228 7.417 -1.590 0.604 1.00 72.05 H new ATOM 0 HD23 LEU B 228 8.555 -2.427 -0.477 1.00 72.05 H new ATOM 1300 N LYS B 229 12.486 -2.688 1.081 1.00 63.13 N ATOM 1301 CA LYS B 229 13.358 -3.809 0.684 1.00 43.14 C ATOM 1302 C LYS B 229 14.673 -3.825 1.481 1.00 64.51 C ATOM 1303 O LYS B 229 15.319 -4.869 1.610 1.00 22.24 O ATOM 1304 CB LYS B 229 13.648 -3.758 -0.824 1.00 44.34 C ATOM 1305 CG LYS B 229 14.273 -2.451 -1.303 1.00 23.22 C ATOM 1306 CD LYS B 229 14.487 -2.453 -2.816 1.00 33.33 C ATOM 1307 CE LYS B 229 15.082 -1.139 -3.309 1.00 53.04 C ATOM 1308 NZ LYS B 229 16.438 -0.889 -2.750 1.00 11.41 N ATOM 0 H LYS B 229 12.256 -2.046 0.323 1.00 63.13 H new ATOM 0 HA LYS B 229 12.825 -4.732 0.913 1.00 43.14 H new ATOM 0 HB2 LYS B 229 14.315 -4.581 -1.081 1.00 44.34 H new ATOM 0 HB3 LYS B 229 12.717 -3.921 -1.366 1.00 44.34 H new ATOM 0 HG2 LYS B 229 13.629 -1.616 -1.027 1.00 23.22 H new ATOM 0 HG3 LYS B 229 15.228 -2.297 -0.800 1.00 23.22 H new ATOM 0 HD2 LYS B 229 15.149 -3.275 -3.088 1.00 33.33 H new ATOM 0 HD3 LYS B 229 13.535 -2.631 -3.317 1.00 33.33 H new ATOM 0 HE2 LYS B 229 15.137 -1.153 -4.398 1.00 53.04 H new ATOM 0 HE3 LYS B 229 14.421 -0.317 -3.034 1.00 53.04 H new ATOM 0 HZ1 LYS B 229 16.458 0.045 -2.292 1.00 11.41 H new ATOM 0 HZ2 LYS B 229 16.665 -1.623 -2.049 1.00 11.41 H new ATOM 0 HZ3 LYS B 229 17.140 -0.914 -3.517 1.00 11.41 H new ATOM 1322 N SER B 230 15.057 -2.667 2.017 1.00 63.30 N ATOM 1323 CA SER B 230 16.265 -2.547 2.846 1.00 5.42 C ATOM 1324 C SER B 230 16.197 -3.423 4.109 1.00 22.23 C ATOM 1325 O SER B 230 17.190 -4.041 4.495 1.00 32.42 O ATOM 1326 CB SER B 230 16.488 -1.082 3.255 1.00 43.42 C ATOM 1327 OG SER B 230 17.537 -0.955 4.206 1.00 54.25 O ATOM 0 H SER B 230 14.548 -1.792 1.893 1.00 63.30 H new ATOM 0 HA SER B 230 17.101 -2.897 2.240 1.00 5.42 H new ATOM 0 HB2 SER B 230 16.724 -0.489 2.371 1.00 43.42 H new ATOM 0 HB3 SER B 230 15.567 -0.677 3.673 1.00 43.42 H new ATOM 0 HG SER B 230 17.652 -0.011 4.442 1.00 54.25 H new ATOM 1333 N ARG B 231 15.027 -3.492 4.751 1.00 20.23 N ATOM 1334 CA ARG B 231 14.910 -4.177 6.049 1.00 62.12 C ATOM 1335 C ARG B 231 14.064 -5.464 5.995 1.00 25.41 C ATOM 1336 O ARG B 231 14.265 -6.370 6.807 1.00 64.11 O ATOM 1337 CB ARG B 231 14.330 -3.221 7.102 1.00 71.22 C ATOM 1338 CG ARG B 231 12.866 -2.857 6.875 1.00 65.42 C ATOM 1339 CD ARG B 231 12.353 -1.905 7.948 1.00 62.51 C ATOM 1340 NE ARG B 231 12.548 -2.436 9.298 1.00 1.43 N ATOM 1341 CZ ARG B 231 12.363 -1.743 10.391 1.00 33.15 C ATOM 1342 NH1 ARG B 231 11.961 -0.514 10.337 1.00 3.13 N ATOM 1343 NH2 ARG B 231 12.584 -2.284 11.545 1.00 63.32 N ATOM 0 H ARG B 231 14.157 -3.089 4.402 1.00 20.23 H new ATOM 0 HA ARG B 231 15.921 -4.478 6.325 1.00 62.12 H new ATOM 0 HB2 ARG B 231 14.431 -3.678 8.086 1.00 71.22 H new ATOM 0 HB3 ARG B 231 14.923 -2.307 7.113 1.00 71.22 H new ATOM 0 HG2 ARG B 231 12.753 -2.396 5.894 1.00 65.42 H new ATOM 0 HG3 ARG B 231 12.261 -3.764 6.873 1.00 65.42 H new ATOM 0 HD2 ARG B 231 12.867 -0.948 7.858 1.00 62.51 H new ATOM 0 HD3 ARG B 231 11.292 -1.714 7.784 1.00 62.51 H new ATOM 0 HE ARG B 231 12.847 -3.407 9.392 1.00 1.43 H new ATOM 0 HH11 ARG B 231 11.784 -0.074 9.434 1.00 3.13 H new ATOM 0 HH12 ARG B 231 11.821 0.015 11.198 1.00 3.13 H new ATOM 0 HH21 ARG B 231 12.903 -3.251 11.602 1.00 63.32 H new ATOM 0 HH22 ARG B 231 12.440 -1.743 12.398 1.00 63.32 H new ATOM 1357 N VAL B 232 13.114 -5.554 5.065 1.00 22.41 N ATOM 1358 CA VAL B 232 12.215 -6.720 5.011 1.00 11.41 C ATOM 1359 C VAL B 232 12.951 -8.007 4.587 1.00 71.53 C ATOM 1360 O VAL B 232 13.866 -7.970 3.757 1.00 33.10 O ATOM 1361 CB VAL B 232 11.005 -6.478 4.071 1.00 1.32 C ATOM 1362 CG1 VAL B 232 10.189 -5.284 4.555 1.00 51.52 C ATOM 1363 CG2 VAL B 232 11.454 -6.282 2.625 1.00 24.55 C ATOM 0 H VAL B 232 12.943 -4.850 4.347 1.00 22.41 H new ATOM 0 HA VAL B 232 11.845 -6.856 6.027 1.00 11.41 H new ATOM 0 HB VAL B 232 10.372 -7.365 4.099 1.00 1.32 H new ATOM 0 HG11 VAL B 232 9.343 -5.126 3.886 1.00 51.52 H new ATOM 0 HG12 VAL B 232 9.823 -5.478 5.563 1.00 51.52 H new ATOM 0 HG13 VAL B 232 10.817 -4.393 4.563 1.00 51.52 H new ATOM 0 HG21 VAL B 232 10.582 -6.115 1.993 1.00 24.55 H new ATOM 0 HG22 VAL B 232 12.117 -5.419 2.564 1.00 24.55 H new ATOM 0 HG23 VAL B 232 11.984 -7.172 2.285 1.00 24.55 H new ATOM 1373 N PRO B 233 12.560 -9.168 5.160 1.00 72.35 N ATOM 1374 CA PRO B 233 13.207 -10.464 4.866 1.00 61.22 C ATOM 1375 C PRO B 233 12.981 -10.940 3.420 1.00 53.23 C ATOM 1376 O PRO B 233 11.890 -10.797 2.866 1.00 51.14 O ATOM 1377 CB PRO B 233 12.539 -11.430 5.860 1.00 10.32 C ATOM 1378 CG PRO B 233 11.223 -10.801 6.175 1.00 3.31 C ATOM 1379 CD PRO B 233 11.463 -9.313 6.142 1.00 2.02 C ATOM 0 HA PRO B 233 14.290 -10.400 4.967 1.00 61.22 H new ATOM 0 HB2 PRO B 233 12.410 -12.420 5.423 1.00 10.32 H new ATOM 0 HB3 PRO B 233 13.144 -11.554 6.758 1.00 10.32 H new ATOM 0 HG2 PRO B 233 10.466 -11.092 5.447 1.00 3.31 H new ATOM 0 HG3 PRO B 233 10.862 -11.118 7.154 1.00 3.31 H new ATOM 0 HD2 PRO B 233 10.571 -8.768 5.832 1.00 2.02 H new ATOM 0 HD3 PRO B 233 11.747 -8.929 7.122 1.00 2.02 H new ATOM 1387 N ALA B 234 14.008 -11.553 2.829 1.00 61.33 N ATOM 1388 CA ALA B 234 13.961 -12.002 1.428 1.00 21.13 C ATOM 1389 C ALA B 234 12.987 -13.178 1.203 1.00 74.12 C ATOM 1390 O ALA B 234 12.903 -13.719 0.097 1.00 61.31 O ATOM 1391 CB ALA B 234 15.362 -12.385 0.963 1.00 21.45 C ATOM 0 H ALA B 234 14.891 -11.753 3.299 1.00 61.33 H new ATOM 0 HA ALA B 234 13.584 -11.167 0.837 1.00 21.13 H new ATOM 0 HB1 ALA B 234 15.323 -12.717 -0.075 1.00 21.45 H new ATOM 0 HB2 ALA B 234 16.021 -11.520 1.043 1.00 21.45 H new ATOM 0 HB3 ALA B 234 15.745 -13.192 1.588 1.00 21.45 H new ATOM 1397 N ASN B 235 12.261 -13.574 2.249 1.00 11.25 N ATOM 1398 CA ASN B 235 11.258 -14.643 2.147 1.00 75.35 C ATOM 1399 C ASN B 235 9.956 -14.131 1.509 1.00 45.41 C ATOM 1400 O ASN B 235 9.194 -14.899 0.925 1.00 74.24 O ATOM 1401 CB ASN B 235 10.951 -15.217 3.536 1.00 11.24 C ATOM 1402 CG ASN B 235 12.173 -15.816 4.208 1.00 74.10 C ATOM 1403 OD1 ASN B 235 13.082 -16.309 3.550 1.00 33.15 O ATOM 1404 ND2 ASN B 235 12.205 -15.780 5.527 1.00 34.42 N ATOM 0 H ASN B 235 12.347 -13.171 3.182 1.00 11.25 H new ATOM 0 HA ASN B 235 11.673 -15.424 1.510 1.00 75.35 H new ATOM 0 HB2 ASN B 235 10.544 -14.428 4.168 1.00 11.24 H new ATOM 0 HB3 ASN B 235 10.180 -15.982 3.446 1.00 11.24 H new ATOM 0 HD21 ASN B 235 13.003 -16.170 6.029 1.00 34.42 H new ATOM 0 HD22 ASN B 235 11.432 -15.362 6.045 1.00 34.42 H new ATOM 1411 N THR B 236 9.711 -12.829 1.628 1.00 3.51 N ATOM 1412 CA THR B 236 8.485 -12.213 1.107 1.00 65.30 C ATOM 1413 C THR B 236 8.803 -10.951 0.297 1.00 53.43 C ATOM 1414 O THR B 236 9.338 -9.980 0.831 1.00 2.32 O ATOM 1415 CB THR B 236 7.504 -11.846 2.250 1.00 23.21 C ATOM 1416 OG1 THR B 236 7.125 -13.027 2.977 1.00 61.32 O ATOM 1417 CG2 THR B 236 6.251 -11.159 1.714 1.00 52.53 C ATOM 0 H THR B 236 10.347 -12.173 2.083 1.00 3.51 H new ATOM 0 HA THR B 236 8.013 -12.950 0.458 1.00 65.30 H new ATOM 0 HB THR B 236 8.019 -11.153 2.915 1.00 23.21 H new ATOM 0 HG1 THR B 236 6.507 -12.783 3.697 1.00 61.32 H new ATOM 0 HG21 THR B 236 5.586 -10.916 2.543 1.00 52.53 H new ATOM 0 HG22 THR B 236 6.532 -10.243 1.194 1.00 52.53 H new ATOM 0 HG23 THR B 236 5.738 -11.826 1.021 1.00 52.53 H new ATOM 1425 N SER B 237 8.476 -10.976 -0.993 1.00 23.40 N ATOM 1426 CA SER B 237 8.717 -9.827 -1.878 1.00 71.34 C ATOM 1427 C SER B 237 7.877 -8.604 -1.474 1.00 13.13 C ATOM 1428 O SER B 237 6.782 -8.744 -0.924 1.00 4.15 O ATOM 1429 CB SER B 237 8.415 -10.205 -3.334 1.00 64.12 C ATOM 1430 OG SER B 237 9.239 -11.275 -3.773 1.00 71.45 O ATOM 0 H SER B 237 8.043 -11.777 -1.453 1.00 23.40 H new ATOM 0 HA SER B 237 9.769 -9.557 -1.780 1.00 71.34 H new ATOM 0 HB2 SER B 237 7.367 -10.489 -3.428 1.00 64.12 H new ATOM 0 HB3 SER B 237 8.569 -9.338 -3.976 1.00 64.12 H new ATOM 0 HG SER B 237 9.022 -11.494 -4.703 1.00 71.45 H new ATOM 1436 N MET B 238 8.391 -7.411 -1.782 1.00 61.41 N ATOM 1437 CA MET B 238 7.737 -6.142 -1.416 1.00 62.15 C ATOM 1438 C MET B 238 6.244 -6.119 -1.794 1.00 34.23 C ATOM 1439 O MET B 238 5.402 -5.706 -0.997 1.00 73.15 O ATOM 1440 CB MET B 238 8.455 -4.967 -2.095 1.00 62.42 C ATOM 1441 CG MET B 238 9.909 -4.803 -1.676 1.00 3.45 C ATOM 1442 SD MET B 238 10.716 -3.418 -2.504 1.00 1.34 S ATOM 1443 CE MET B 238 10.609 -3.933 -4.218 1.00 21.45 C ATOM 0 H MET B 238 9.268 -7.292 -2.290 1.00 61.41 H new ATOM 0 HA MET B 238 7.804 -6.048 -0.332 1.00 62.15 H new ATOM 0 HB2 MET B 238 8.412 -5.104 -3.175 1.00 62.42 H new ATOM 0 HB3 MET B 238 7.917 -4.046 -1.869 1.00 62.42 H new ATOM 0 HG2 MET B 238 9.958 -4.655 -0.597 1.00 3.45 H new ATOM 0 HG3 MET B 238 10.453 -5.721 -1.897 1.00 3.45 H new ATOM 0 HE1 MET B 238 11.360 -3.404 -4.804 1.00 21.45 H new ATOM 0 HE2 MET B 238 10.784 -5.007 -4.287 1.00 21.45 H new ATOM 0 HE3 MET B 238 9.617 -3.702 -4.606 1.00 21.45 H new ATOM 1453 N SER B 239 5.930 -6.566 -3.007 1.00 72.22 N ATOM 1454 CA SER B 239 4.539 -6.618 -3.491 1.00 42.02 C ATOM 1455 C SER B 239 3.630 -7.408 -2.536 1.00 43.34 C ATOM 1456 O SER B 239 2.526 -6.974 -2.203 1.00 41.11 O ATOM 1457 CB SER B 239 4.493 -7.245 -4.894 1.00 51.11 C ATOM 1458 OG SER B 239 5.103 -8.530 -4.908 1.00 62.12 O ATOM 0 H SER B 239 6.618 -6.901 -3.681 1.00 72.22 H new ATOM 0 HA SER B 239 4.167 -5.594 -3.534 1.00 42.02 H new ATOM 0 HB2 SER B 239 3.457 -7.329 -5.223 1.00 51.11 H new ATOM 0 HB3 SER B 239 5.001 -6.592 -5.603 1.00 51.11 H new ATOM 0 HG SER B 239 5.057 -8.904 -5.813 1.00 62.12 H new ATOM 1464 N ALA B 240 4.107 -8.566 -2.093 1.00 4.12 N ATOM 1465 CA ALA B 240 3.353 -9.409 -1.160 1.00 64.43 C ATOM 1466 C ALA B 240 3.429 -8.877 0.280 1.00 20.32 C ATOM 1467 O ALA B 240 2.550 -9.150 1.102 1.00 24.14 O ATOM 1468 CB ALA B 240 3.860 -10.846 -1.220 1.00 11.33 C ATOM 0 H ALA B 240 5.014 -8.947 -2.363 1.00 4.12 H new ATOM 0 HA ALA B 240 2.307 -9.384 -1.465 1.00 64.43 H new ATOM 0 HB1 ALA B 240 3.292 -11.462 -0.523 1.00 11.33 H new ATOM 0 HB2 ALA B 240 3.735 -11.234 -2.231 1.00 11.33 H new ATOM 0 HB3 ALA B 240 4.916 -10.871 -0.949 1.00 11.33 H new ATOM 1474 N TYR B 241 4.476 -8.110 0.578 1.00 35.34 N ATOM 1475 CA TYR B 241 4.671 -7.556 1.922 1.00 42.44 C ATOM 1476 C TYR B 241 3.703 -6.387 2.189 1.00 13.41 C ATOM 1477 O TYR B 241 3.048 -6.338 3.231 1.00 51.31 O ATOM 1478 CB TYR B 241 6.124 -7.099 2.112 1.00 10.53 C ATOM 1479 CG TYR B 241 6.524 -6.975 3.568 1.00 50.22 C ATOM 1480 CD1 TYR B 241 6.993 -8.080 4.271 1.00 34.31 C ATOM 1481 CD2 TYR B 241 6.419 -5.765 4.246 1.00 35.35 C ATOM 1482 CE1 TYR B 241 7.347 -7.983 5.601 1.00 62.45 C ATOM 1483 CE2 TYR B 241 6.769 -5.663 5.578 1.00 53.23 C ATOM 1484 CZ TYR B 241 7.234 -6.775 6.250 1.00 25.43 C ATOM 1485 OH TYR B 241 7.579 -6.680 7.581 1.00 2.32 O ATOM 0 H TYR B 241 5.203 -7.857 -0.091 1.00 35.34 H new ATOM 0 HA TYR B 241 4.455 -8.345 2.642 1.00 42.44 H new ATOM 0 HB2 TYR B 241 6.789 -7.808 1.618 1.00 10.53 H new ATOM 0 HB3 TYR B 241 6.263 -6.136 1.620 1.00 10.53 H new ATOM 0 HD1 TYR B 241 7.082 -9.031 3.767 1.00 34.31 H new ATOM 0 HD2 TYR B 241 6.058 -4.892 3.723 1.00 35.35 H new ATOM 0 HE1 TYR B 241 7.711 -8.851 6.130 1.00 62.45 H new ATOM 0 HE2 TYR B 241 6.679 -4.717 6.092 1.00 53.23 H new ATOM 0 HH TYR B 241 7.443 -5.760 7.889 1.00 2.32 H new ATOM 1495 N ILE B 242 3.614 -5.451 1.241 1.00 73.04 N ATOM 1496 CA ILE B 242 2.655 -4.342 1.341 1.00 53.33 C ATOM 1497 C ILE B 242 1.223 -4.878 1.517 1.00 14.33 C ATOM 1498 O ILE B 242 0.396 -4.273 2.204 1.00 72.43 O ATOM 1499 CB ILE B 242 2.722 -3.419 0.090 1.00 32.25 C ATOM 1500 CG1 ILE B 242 4.116 -2.773 -0.037 1.00 40.23 C ATOM 1501 CG2 ILE B 242 1.636 -2.339 0.142 1.00 44.51 C ATOM 1502 CD1 ILE B 242 4.484 -1.872 1.124 1.00 3.51 C ATOM 0 H ILE B 242 4.190 -5.436 0.399 1.00 73.04 H new ATOM 0 HA ILE B 242 2.926 -3.753 2.217 1.00 53.33 H new ATOM 0 HB ILE B 242 2.544 -4.037 -0.790 1.00 32.25 H new ATOM 0 HG12 ILE B 242 4.864 -3.561 -0.124 1.00 40.23 H new ATOM 0 HG13 ILE B 242 4.154 -2.194 -0.960 1.00 40.23 H new ATOM 0 HG21 ILE B 242 1.707 -1.709 -0.745 1.00 44.51 H new ATOM 0 HG22 ILE B 242 0.654 -2.811 0.174 1.00 44.51 H new ATOM 0 HG23 ILE B 242 1.773 -1.727 1.034 1.00 44.51 H new ATOM 0 HD11 ILE B 242 5.478 -1.456 0.961 1.00 3.51 H new ATOM 0 HD12 ILE B 242 3.759 -1.061 1.199 1.00 3.51 H new ATOM 0 HD13 ILE B 242 4.480 -2.450 2.048 1.00 3.51 H new ATOM 1514 N ARG B 243 0.955 -6.031 0.906 1.00 45.24 N ATOM 1515 CA ARG B 243 -0.332 -6.718 1.043 1.00 3.51 C ATOM 1516 C ARG B 243 -0.725 -6.916 2.521 1.00 2.23 C ATOM 1517 O ARG B 243 -1.859 -6.643 2.906 1.00 74.43 O ATOM 1518 CB ARG B 243 -0.264 -8.075 0.333 1.00 23.24 C ATOM 1519 CG ARG B 243 -1.498 -8.953 0.529 1.00 41.25 C ATOM 1520 CD ARG B 243 -1.268 -10.363 -0.010 1.00 64.11 C ATOM 1521 NE ARG B 243 -0.072 -10.975 0.575 1.00 72.14 N ATOM 1522 CZ ARG B 243 0.336 -12.190 0.329 1.00 23.45 C ATOM 1523 NH1 ARG B 243 -0.325 -12.973 -0.462 1.00 74.14 N ATOM 1524 NH2 ARG B 243 1.414 -12.630 0.887 1.00 3.22 N ATOM 0 H ARG B 243 1.620 -6.515 0.304 1.00 45.24 H new ATOM 0 HA ARG B 243 -1.098 -6.094 0.582 1.00 3.51 H new ATOM 0 HB2 ARG B 243 -0.119 -7.906 -0.734 1.00 23.24 H new ATOM 0 HB3 ARG B 243 0.612 -8.615 0.692 1.00 23.24 H new ATOM 0 HG2 ARG B 243 -1.747 -9.003 1.589 1.00 41.25 H new ATOM 0 HG3 ARG B 243 -2.351 -8.503 0.022 1.00 41.25 H new ATOM 0 HD2 ARG B 243 -2.138 -10.983 0.207 1.00 64.11 H new ATOM 0 HD3 ARG B 243 -1.165 -10.326 -1.095 1.00 64.11 H new ATOM 0 HE ARG B 243 0.481 -10.411 1.220 1.00 72.14 H new ATOM 0 HH11 ARG B 243 -1.182 -12.644 -0.906 1.00 74.14 H new ATOM 0 HH12 ARG B 243 0.011 -13.919 -0.641 1.00 74.14 H new ATOM 0 HH21 ARG B 243 1.944 -12.029 1.518 1.00 3.22 H new ATOM 0 HH22 ARG B 243 1.736 -13.579 0.697 1.00 3.22 H new ATOM 1538 N ARG B 244 0.212 -7.389 3.349 1.00 3.12 N ATOM 1539 CA ARG B 244 -0.085 -7.624 4.773 1.00 43.33 C ATOM 1540 C ARG B 244 -0.141 -6.302 5.559 1.00 13.31 C ATOM 1541 O ARG B 244 -0.888 -6.181 6.531 1.00 12.33 O ATOM 1542 CB ARG B 244 0.931 -8.585 5.416 1.00 65.12 C ATOM 1543 CG ARG B 244 2.336 -8.011 5.594 1.00 20.12 C ATOM 1544 CD ARG B 244 3.251 -8.985 6.330 1.00 15.22 C ATOM 1545 NE ARG B 244 2.712 -9.351 7.640 1.00 50.42 N ATOM 1546 CZ ARG B 244 2.887 -10.513 8.209 1.00 21.24 C ATOM 1547 NH1 ARG B 244 3.607 -11.426 7.642 1.00 33.45 N ATOM 1548 NH2 ARG B 244 2.337 -10.759 9.354 1.00 72.24 N ATOM 0 H ARG B 244 1.167 -7.614 3.069 1.00 3.12 H new ATOM 0 HA ARG B 244 -1.068 -8.093 4.818 1.00 43.33 H new ATOM 0 HB2 ARG B 244 0.553 -8.891 6.392 1.00 65.12 H new ATOM 0 HB3 ARG B 244 0.997 -9.484 4.803 1.00 65.12 H new ATOM 0 HG2 ARG B 244 2.761 -7.778 4.618 1.00 20.12 H new ATOM 0 HG3 ARG B 244 2.280 -7.074 6.148 1.00 20.12 H new ATOM 0 HD2 ARG B 244 3.385 -9.884 5.728 1.00 15.22 H new ATOM 0 HD3 ARG B 244 4.236 -8.535 6.455 1.00 15.22 H new ATOM 0 HE ARG B 244 2.164 -8.653 8.142 1.00 50.42 H new ATOM 0 HH11 ARG B 244 4.046 -11.242 6.740 1.00 33.45 H new ATOM 0 HH12 ARG B 244 3.736 -12.330 8.097 1.00 33.45 H new ATOM 0 HH21 ARG B 244 1.768 -10.046 9.810 1.00 72.24 H new ATOM 0 HH22 ARG B 244 2.472 -11.666 9.800 1.00 72.24 H new ATOM 1562 N ILE B 245 0.640 -5.310 5.125 1.00 63.11 N ATOM 1563 CA ILE B 245 0.636 -3.987 5.760 1.00 1.41 C ATOM 1564 C ILE B 245 -0.745 -3.316 5.644 1.00 71.01 C ATOM 1565 O ILE B 245 -1.239 -2.714 6.600 1.00 21.14 O ATOM 1566 CB ILE B 245 1.717 -3.058 5.145 1.00 11.44 C ATOM 1567 CG1 ILE B 245 3.121 -3.651 5.365 1.00 25.32 C ATOM 1568 CG2 ILE B 245 1.628 -1.647 5.732 1.00 63.12 C ATOM 1569 CD1 ILE B 245 4.240 -2.802 4.794 1.00 62.14 C ATOM 0 H ILE B 245 1.283 -5.396 4.338 1.00 63.11 H new ATOM 0 HA ILE B 245 0.867 -4.142 6.814 1.00 1.41 H new ATOM 0 HB ILE B 245 1.534 -2.986 4.073 1.00 11.44 H new ATOM 0 HG12 ILE B 245 3.286 -3.782 6.434 1.00 25.32 H new ATOM 0 HG13 ILE B 245 3.162 -4.642 4.912 1.00 25.32 H new ATOM 0 HG21 ILE B 245 2.397 -1.017 5.284 1.00 63.12 H new ATOM 0 HG22 ILE B 245 0.645 -1.226 5.520 1.00 63.12 H new ATOM 0 HG23 ILE B 245 1.779 -1.691 6.811 1.00 63.12 H new ATOM 0 HD11 ILE B 245 5.198 -3.284 4.988 1.00 62.14 H new ATOM 0 HD12 ILE B 245 4.101 -2.692 3.719 1.00 62.14 H new ATOM 0 HD13 ILE B 245 4.227 -1.819 5.264 1.00 62.14 H new ATOM 1581 N ILE B 246 -1.366 -3.416 4.467 1.00 70.10 N ATOM 1582 CA ILE B 246 -2.725 -2.896 4.277 1.00 20.32 C ATOM 1583 C ILE B 246 -3.775 -3.856 4.867 1.00 24.44 C ATOM 1584 O ILE B 246 -4.761 -3.418 5.460 1.00 73.22 O ATOM 1585 CB ILE B 246 -3.045 -2.623 2.779 1.00 35.32 C ATOM 1586 CG1 ILE B 246 -2.957 -3.918 1.951 1.00 15.53 C ATOM 1587 CG2 ILE B 246 -2.100 -1.560 2.218 1.00 44.11 C ATOM 1588 CD1 ILE B 246 -3.289 -3.737 0.483 1.00 14.51 C ATOM 0 H ILE B 246 -0.957 -3.847 3.638 1.00 70.10 H new ATOM 0 HA ILE B 246 -2.771 -1.946 4.810 1.00 20.32 H new ATOM 0 HB ILE B 246 -4.067 -2.250 2.712 1.00 35.32 H new ATOM 0 HG12 ILE B 246 -1.949 -4.324 2.037 1.00 15.53 H new ATOM 0 HG13 ILE B 246 -3.636 -4.656 2.378 1.00 15.53 H new ATOM 0 HG21 ILE B 246 -2.336 -1.380 1.169 1.00 44.11 H new ATOM 0 HG22 ILE B 246 -2.219 -0.634 2.781 1.00 44.11 H new ATOM 0 HG23 ILE B 246 -1.070 -1.907 2.303 1.00 44.11 H new ATOM 0 HD11 ILE B 246 -3.204 -4.695 -0.030 1.00 14.51 H new ATOM 0 HD12 ILE B 246 -4.307 -3.362 0.384 1.00 14.51 H new ATOM 0 HD13 ILE B 246 -2.595 -3.024 0.038 1.00 14.51 H new ATOM 1600 N LEU B 247 -3.537 -5.162 4.725 1.00 65.21 N ATOM 1601 CA LEU B 247 -4.438 -6.195 5.261 1.00 34.21 C ATOM 1602 C LEU B 247 -4.759 -5.944 6.743 1.00 1.25 C ATOM 1603 O LEU B 247 -5.921 -5.787 7.128 1.00 52.53 O ATOM 1604 CB LEU B 247 -3.795 -7.581 5.096 1.00 51.23 C ATOM 1605 CG LEU B 247 -4.634 -8.770 5.595 1.00 35.42 C ATOM 1606 CD1 LEU B 247 -5.909 -8.915 4.766 1.00 10.34 C ATOM 1607 CD2 LEU B 247 -3.811 -10.059 5.567 1.00 35.32 C ATOM 0 H LEU B 247 -2.721 -5.535 4.239 1.00 65.21 H new ATOM 0 HA LEU B 247 -5.372 -6.153 4.701 1.00 34.21 H new ATOM 0 HB2 LEU B 247 -3.573 -7.735 4.040 1.00 51.23 H new ATOM 0 HB3 LEU B 247 -2.842 -7.585 5.626 1.00 51.23 H new ATOM 0 HG LEU B 247 -4.924 -8.578 6.628 1.00 35.42 H new ATOM 0 HD11 LEU B 247 -6.488 -9.761 5.135 1.00 10.34 H new ATOM 0 HD12 LEU B 247 -6.503 -8.005 4.850 1.00 10.34 H new ATOM 0 HD13 LEU B 247 -5.647 -9.082 3.721 1.00 10.34 H new ATOM 0 HD21 LEU B 247 -4.422 -10.888 5.923 1.00 35.32 H new ATOM 0 HD22 LEU B 247 -3.485 -10.261 4.547 1.00 35.32 H new ATOM 0 HD23 LEU B 247 -2.939 -9.948 6.211 1.00 35.32 H new ATOM 1619 N ASN B 248 -3.713 -5.868 7.566 1.00 54.43 N ATOM 1620 CA ASN B 248 -3.875 -5.643 9.007 1.00 13.42 C ATOM 1621 C ASN B 248 -4.397 -4.232 9.323 1.00 4.40 C ATOM 1622 O ASN B 248 -4.640 -3.903 10.480 1.00 64.31 O ATOM 1623 CB ASN B 248 -2.556 -5.898 9.737 1.00 4.35 C ATOM 1624 CG ASN B 248 -2.142 -7.355 9.670 1.00 65.40 C ATOM 1625 OD1 ASN B 248 -1.391 -7.766 8.793 1.00 40.21 O ATOM 1626 ND2 ASN B 248 -2.649 -8.158 10.583 1.00 11.44 N ATOM 0 H ASN B 248 -2.744 -5.959 7.262 1.00 54.43 H new ATOM 0 HA ASN B 248 -4.625 -6.351 9.361 1.00 13.42 H new ATOM 0 HB2 ASN B 248 -1.774 -5.278 9.299 1.00 4.35 H new ATOM 0 HB3 ASN B 248 -2.655 -5.597 10.780 1.00 4.35 H new ATOM 0 HD21 ASN B 248 -2.419 -9.152 10.572 1.00 11.44 H new ATOM 0 HD22 ASN B 248 -3.271 -7.786 11.300 1.00 11.44 H new ATOM 1633 N HIS B 249 -4.562 -3.400 8.296 1.00 33.44 N ATOM 1634 CA HIS B 249 -5.170 -2.076 8.466 1.00 51.41 C ATOM 1635 C HIS B 249 -6.641 -2.090 8.003 1.00 21.10 C ATOM 1636 O HIS B 249 -7.426 -1.219 8.371 1.00 74.32 O ATOM 1637 CB HIS B 249 -4.371 -1.013 7.693 1.00 50.41 C ATOM 1638 CG HIS B 249 -4.650 0.394 8.138 1.00 1.54 C ATOM 1639 ND1 HIS B 249 -3.768 1.126 8.899 1.00 20.11 N ATOM 1640 CD2 HIS B 249 -5.711 1.207 7.921 1.00 52.53 C ATOM 1641 CE1 HIS B 249 -4.270 2.318 9.134 1.00 23.23 C ATOM 1642 NE2 HIS B 249 -5.451 2.399 8.555 1.00 14.10 N ATOM 0 H HIS B 249 -4.285 -3.616 7.338 1.00 33.44 H new ATOM 0 HA HIS B 249 -5.147 -1.822 9.526 1.00 51.41 H new ATOM 0 HB2 HIS B 249 -3.306 -1.217 7.808 1.00 50.41 H new ATOM 0 HB3 HIS B 249 -4.599 -1.101 6.631 1.00 50.41 H new ATOM 0 HD2 HIS B 249 -6.598 0.964 7.354 1.00 52.53 H new ATOM 0 HE1 HIS B 249 -3.794 3.100 9.706 1.00 23.23 H new ATOM 0 HE2 HIS B 249 -6.069 3.210 8.574 1.00 14.10 H new ATOM 1651 N LEU B 250 -7.005 -3.077 7.181 1.00 10.30 N ATOM 1652 CA LEU B 250 -8.408 -3.283 6.788 1.00 53.33 C ATOM 1653 C LEU B 250 -9.207 -3.915 7.938 1.00 64.22 C ATOM 1654 O LEU B 250 -10.351 -3.535 8.195 1.00 40.22 O ATOM 1655 CB LEU B 250 -8.507 -4.156 5.519 1.00 12.01 C ATOM 1656 CG LEU B 250 -8.526 -3.393 4.180 1.00 45.41 C ATOM 1657 CD1 LEU B 250 -9.763 -2.501 4.087 1.00 72.04 C ATOM 1658 CD2 LEU B 250 -7.257 -2.568 3.994 1.00 25.41 C ATOM 0 H LEU B 250 -6.352 -3.747 6.774 1.00 10.30 H new ATOM 0 HA LEU B 250 -8.838 -2.307 6.563 1.00 53.33 H new ATOM 0 HB2 LEU B 250 -7.664 -4.847 5.510 1.00 12.01 H new ATOM 0 HB3 LEU B 250 -9.413 -4.759 5.585 1.00 12.01 H new ATOM 0 HG LEU B 250 -8.567 -4.130 3.378 1.00 45.41 H new ATOM 0 HD11 LEU B 250 -9.758 -1.971 3.135 1.00 72.04 H new ATOM 0 HD12 LEU B 250 -10.661 -3.115 4.156 1.00 72.04 H new ATOM 0 HD13 LEU B 250 -9.754 -1.780 4.904 1.00 72.04 H new ATOM 0 HD21 LEU B 250 -7.301 -2.042 3.040 1.00 25.41 H new ATOM 0 HD22 LEU B 250 -7.172 -1.844 4.804 1.00 25.41 H new ATOM 0 HD23 LEU B 250 -6.389 -3.228 4.004 1.00 25.41 H new ATOM 1670 N GLU B 251 -8.592 -4.875 8.628 1.00 45.50 N ATOM 1671 CA GLU B 251 -9.197 -5.488 9.821 1.00 62.20 C ATOM 1672 C GLU B 251 -9.024 -4.596 11.066 1.00 52.12 C ATOM 1673 O GLU B 251 -9.437 -4.959 12.170 1.00 14.31 O ATOM 1674 CB GLU B 251 -8.571 -6.868 10.085 1.00 65.13 C ATOM 1675 CG GLU B 251 -7.055 -6.831 10.261 1.00 41.53 C ATOM 1676 CD GLU B 251 -6.458 -8.169 10.687 1.00 25.00 C ATOM 1677 OE1 GLU B 251 -6.814 -9.210 10.096 1.00 72.24 O ATOM 1678 OE2 GLU B 251 -5.613 -8.184 11.609 1.00 51.13 O ATOM 0 H GLU B 251 -7.674 -5.249 8.385 1.00 45.50 H new ATOM 0 HA GLU B 251 -10.264 -5.601 9.628 1.00 62.20 H new ATOM 0 HB2 GLU B 251 -9.021 -7.296 10.981 1.00 65.13 H new ATOM 0 HB3 GLU B 251 -8.816 -7.533 9.256 1.00 65.13 H new ATOM 0 HG2 GLU B 251 -6.596 -6.520 9.323 1.00 41.53 H new ATOM 0 HG3 GLU B 251 -6.802 -6.076 11.005 1.00 41.53 H new ATOM 1685 N ASP B 252 -8.422 -3.424 10.879 1.00 75.35 N ATOM 1686 CA ASP B 252 -8.121 -2.517 11.988 1.00 55.11 C ATOM 1687 C ASP B 252 -8.445 -1.056 11.608 1.00 53.31 C ATOM 1688 O ASP B 252 -8.948 -0.785 10.513 1.00 75.13 O ATOM 1689 CB ASP B 252 -6.640 -2.681 12.371 1.00 31.54 C ATOM 1690 CG ASP B 252 -6.284 -2.033 13.697 1.00 25.33 C ATOM 1691 OD1 ASP B 252 -6.727 -2.539 14.746 1.00 13.11 O ATOM 1692 OD2 ASP B 252 -5.550 -1.022 13.697 1.00 61.23 O ATOM 0 H ASP B 252 -8.131 -3.077 9.965 1.00 75.35 H new ATOM 0 HA ASP B 252 -8.744 -2.767 12.847 1.00 55.11 H new ATOM 0 HB2 ASP B 252 -6.400 -3.743 12.418 1.00 31.54 H new ATOM 0 HB3 ASP B 252 -6.019 -2.249 11.586 1.00 31.54 H new ATOM 1697 N GLU B 253 -8.179 -0.127 12.524 1.00 14.01 N ATOM 1698 CA GLU B 253 -8.417 1.302 12.286 1.00 25.34 C ATOM 1699 C GLU B 253 -7.323 1.928 11.398 1.00 54.54 C ATOM 1700 O GLU B 253 -6.194 2.158 11.892 1.00 37.84 O ATOM 1701 CB GLU B 253 -8.510 2.040 13.629 1.00 44.30 C ATOM 1702 CG GLU B 253 -9.715 1.635 14.476 1.00 32.41 C ATOM 1703 CD GLU B 253 -11.041 2.015 13.831 1.00 31.13 C ATOM 1704 OE1 GLU B 253 -11.446 3.190 13.948 1.00 75.44 O ATOM 1705 OE2 GLU B 253 -11.685 1.145 13.203 1.00 24.35 O ATOM 1706 OXT GLU B 253 -7.598 2.203 10.210 1.00 37.84 O ATOM 0 H GLU B 253 -7.796 -0.337 13.446 1.00 14.01 H new ATOM 0 HA GLU B 253 -9.361 1.403 11.750 1.00 25.34 H new ATOM 0 HB2 GLU B 253 -7.599 1.854 14.198 1.00 44.30 H new ATOM 0 HB3 GLU B 253 -8.555 3.113 13.441 1.00 44.30 H new ATOM 0 HG2 GLU B 253 -9.692 0.558 14.642 1.00 32.41 H new ATOM 0 HG3 GLU B 253 -9.642 2.110 15.454 1.00 32.41 H new TER 1713 GLU B 253