USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=25 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 -164:sc= -0.0455 (180deg=-0.358) USER MOD Single : A 1 MET N :NH3+ -149:sc= 0.0193 (180deg=-0.804!) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc=-0.00981 (180deg=-0.175) USER MOD Single : A 13 THR OG1 : rot 32:sc= -1.43! USER MOD Single : A 14 LYS NZ :NH3+ 145:sc= -1.62 (180deg=-3.89!) USER MOD Single : A 21 TYR OH : rot 130:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -145:sc= -0.127 (180deg=-0.505) USER MOD Single : A 39 SER OG : rot -107:sc= 0.436 USER MOD Single : A 41 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.123 K(o=-0.12,f=-2!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 201 MET CE :methyl -169:sc= -0.0233 (180deg=-0.273) USER MOD Single : B 211 LYS NZ :NH3+ -131:sc= -1.72 (180deg=-4.27!) USER MOD Single : B 213 THR OG1 : rot 14:sc= -0.666 USER MOD Single : B 214 LYS NZ :NH3+ 168:sc= -0.0253 (180deg=-0.167) USER MOD Single : B 221 TYR OH : rot 180:sc= 0 USER MOD Single : B 229 LYS NZ :NH3+ 133:sc= 1.3 (180deg=-0.447) USER MOD Single : B 230 SER OG : rot 180:sc= 0 USER MOD Single : B 235 ASN : amide:sc=-0.00457 X(o=-0.0046,f=0) USER MOD Single : B 236 THR OG1 : rot -170:sc= -0.41 USER MOD Single : B 237 SER OG : rot 180:sc= 0 USER MOD Single : B 238 MET CE :methyl -163:sc= -0.0438 (180deg=-0.429) USER MOD Single : B 239 SER OG : rot 92:sc= 0.831 USER MOD Single : B 241 TYR OH : rot 0:sc= -0.62 USER MOD Single : B 248 ASN : amide:sc= -0.268 K(o=-0.27,f=-1.1) USER MOD Single : B 249 HIS : no HE2:sc= -0.291 K(o=-0.29,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.697 9.300 8.639 1.00 0.00 N ATOM 2 CA MET A 1 13.526 9.842 7.530 1.00 52.33 C ATOM 3 C MET A 1 13.892 11.312 7.781 1.00 14.41 C ATOM 4 O MET A 1 13.040 12.112 8.169 1.00 1.13 O ATOM 5 CB MET A 1 12.788 9.692 6.188 1.00 0.14 C ATOM 6 CG MET A 1 11.381 10.281 6.178 1.00 60.24 C ATOM 7 SD MET A 1 10.282 9.458 7.347 1.00 42.41 S ATOM 8 CE MET A 1 10.135 7.823 6.616 1.00 52.42 C ATOM 0 H1 MET A 1 12.888 8.284 8.751 1.00 0.00 H new ATOM 0 H2 MET A 1 12.932 9.796 9.522 1.00 0.00 H new ATOM 0 H3 MET A 1 11.690 9.441 8.420 1.00 0.00 H new ATOM 0 HA MET A 1 14.452 9.268 7.487 1.00 52.33 H new ATOM 0 HB2 MET A 1 13.377 10.173 5.407 1.00 0.14 H new ATOM 0 HB3 MET A 1 12.728 8.633 5.936 1.00 0.14 H new ATOM 0 HG2 MET A 1 11.433 11.343 6.418 1.00 60.24 H new ATOM 0 HG3 MET A 1 10.964 10.202 5.174 1.00 60.24 H new ATOM 0 HE1 MET A 1 9.283 7.304 7.055 1.00 52.42 H new ATOM 0 HE2 MET A 1 9.988 7.917 5.540 1.00 52.42 H new ATOM 0 HE3 MET A 1 11.045 7.255 6.809 1.00 52.42 H new ATOM 20 N VAL A 2 15.160 11.668 7.554 1.00 62.02 N ATOM 21 CA VAL A 2 15.638 13.031 7.826 1.00 74.21 C ATOM 22 C VAL A 2 14.938 14.078 6.938 1.00 53.43 C ATOM 23 O VAL A 2 14.569 15.154 7.414 1.00 54.42 O ATOM 24 CB VAL A 2 17.178 13.152 7.669 1.00 35.55 C ATOM 25 CG1 VAL A 2 17.898 12.253 8.673 1.00 75.54 C ATOM 26 CG2 VAL A 2 17.615 12.825 6.246 1.00 74.25 C ATOM 0 H VAL A 2 15.872 11.037 7.185 1.00 62.02 H new ATOM 0 HA VAL A 2 15.382 13.236 8.866 1.00 74.21 H new ATOM 0 HB VAL A 2 17.453 14.187 7.875 1.00 35.55 H new ATOM 0 HG11 VAL A 2 18.976 12.354 8.544 1.00 75.54 H new ATOM 0 HG12 VAL A 2 17.624 12.547 9.686 1.00 75.54 H new ATOM 0 HG13 VAL A 2 17.608 11.216 8.505 1.00 75.54 H new ATOM 0 HG21 VAL A 2 18.698 12.918 6.167 1.00 74.25 H new ATOM 0 HG22 VAL A 2 17.320 11.805 6.000 1.00 74.25 H new ATOM 0 HG23 VAL A 2 17.140 13.517 5.551 1.00 74.25 H new ATOM 36 N GLY A 3 14.740 13.768 5.656 1.00 43.23 N ATOM 37 CA GLY A 3 14.015 14.688 4.782 1.00 71.43 C ATOM 38 C GLY A 3 14.488 14.687 3.331 1.00 33.20 C ATOM 39 O GLY A 3 14.757 15.747 2.760 1.00 34.11 O ATOM 0 H GLY A 3 15.062 12.910 5.209 1.00 43.23 H new ATOM 0 HA2 GLY A 3 12.956 14.433 4.806 1.00 71.43 H new ATOM 0 HA3 GLY A 3 14.109 15.698 5.181 1.00 71.43 H new ATOM 43 N ARG A 4 14.584 13.509 2.727 1.00 42.44 N ATOM 44 CA ARG A 4 14.895 13.398 1.295 1.00 34.34 C ATOM 45 C ARG A 4 13.610 13.251 0.472 1.00 74.21 C ATOM 46 O ARG A 4 12.901 12.250 0.580 1.00 12.21 O ATOM 47 CB ARG A 4 15.829 12.206 1.038 1.00 32.41 C ATOM 48 CG ARG A 4 17.283 12.465 1.418 1.00 64.12 C ATOM 49 CD ARG A 4 17.940 13.479 0.484 1.00 61.21 C ATOM 50 NE ARG A 4 19.314 13.782 0.883 1.00 45.21 N ATOM 51 CZ ARG A 4 20.341 13.764 0.080 1.00 25.33 C ATOM 52 NH1 ARG A 4 20.199 13.475 -1.176 1.00 14.43 N ATOM 53 NH2 ARG A 4 21.514 14.052 0.541 1.00 74.03 N ATOM 0 H ARG A 4 14.452 12.615 3.200 1.00 42.44 H new ATOM 0 HA ARG A 4 15.402 14.312 0.985 1.00 34.34 H new ATOM 0 HB2 ARG A 4 15.465 11.345 1.599 1.00 32.41 H new ATOM 0 HB3 ARG A 4 15.782 11.941 -0.018 1.00 32.41 H new ATOM 0 HG2 ARG A 4 17.331 12.831 2.444 1.00 64.12 H new ATOM 0 HG3 ARG A 4 17.839 11.528 1.387 1.00 64.12 H new ATOM 0 HD2 ARG A 4 17.936 13.090 -0.534 1.00 61.21 H new ATOM 0 HD3 ARG A 4 17.354 14.398 0.477 1.00 61.21 H new ATOM 0 HE ARG A 4 19.481 14.025 1.860 1.00 45.21 H new ATOM 0 HH11 ARG A 4 19.274 13.258 -1.548 1.00 14.43 H new ATOM 0 HH12 ARG A 4 21.012 13.465 -1.792 1.00 14.43 H new ATOM 0 HH21 ARG A 4 21.630 14.291 1.526 1.00 74.03 H new ATOM 0 HH22 ARG A 4 22.323 14.040 -0.080 1.00 74.03 H new ATOM 67 N ARG A 5 13.299 14.270 -0.327 1.00 5.22 N ATOM 68 CA ARG A 5 12.085 14.274 -1.154 1.00 54.02 C ATOM 69 C ARG A 5 12.346 14.937 -2.519 1.00 31.44 C ATOM 70 O ARG A 5 12.855 16.059 -2.584 1.00 4.25 O ATOM 71 CB ARG A 5 10.944 15.014 -0.430 1.00 43.42 C ATOM 72 CG ARG A 5 10.541 14.391 0.907 1.00 73.32 C ATOM 73 CD ARG A 5 9.474 15.214 1.614 1.00 24.55 C ATOM 74 NE ARG A 5 9.122 14.655 2.921 1.00 63.21 N ATOM 75 CZ ARG A 5 8.913 15.372 3.991 1.00 73.43 C ATOM 76 NH1 ARG A 5 9.027 16.659 3.950 1.00 35.25 N ATOM 77 NH2 ARG A 5 8.588 14.797 5.101 1.00 2.22 N ATOM 0 H ARG A 5 13.871 15.109 -0.422 1.00 5.22 H new ATOM 0 HA ARG A 5 11.793 13.237 -1.321 1.00 54.02 H new ATOM 0 HB2 ARG A 5 11.247 16.047 -0.260 1.00 43.42 H new ATOM 0 HB3 ARG A 5 10.072 15.041 -1.083 1.00 43.42 H new ATOM 0 HG2 ARG A 5 10.169 13.380 0.740 1.00 73.32 H new ATOM 0 HG3 ARG A 5 11.419 14.306 1.548 1.00 73.32 H new ATOM 0 HD2 ARG A 5 9.831 16.236 1.742 1.00 24.55 H new ATOM 0 HD3 ARG A 5 8.582 15.263 0.989 1.00 24.55 H new ATOM 0 HE ARG A 5 9.035 13.642 3.000 1.00 63.21 H new ATOM 0 HH11 ARG A 5 9.282 17.121 3.077 1.00 35.25 H new ATOM 0 HH12 ARG A 5 8.862 17.213 4.791 1.00 35.25 H new ATOM 0 HH21 ARG A 5 8.495 13.782 5.141 1.00 2.22 H new ATOM 0 HH22 ARG A 5 8.425 15.358 5.937 1.00 2.22 H new ATOM 91 N PRO A 6 12.011 14.252 -3.628 1.00 15.23 N ATOM 92 CA PRO A 6 12.161 14.814 -4.986 1.00 33.54 C ATOM 93 C PRO A 6 11.321 16.093 -5.197 1.00 25.14 C ATOM 94 O PRO A 6 10.393 16.380 -4.433 1.00 73.53 O ATOM 95 CB PRO A 6 11.672 13.681 -5.903 1.00 70.42 C ATOM 96 CG PRO A 6 11.767 12.443 -5.072 1.00 23.20 C ATOM 97 CD PRO A 6 11.483 12.876 -3.661 1.00 1.15 C ATOM 0 HA PRO A 6 13.188 15.122 -5.184 1.00 33.54 H new ATOM 0 HB2 PRO A 6 10.649 13.856 -6.235 1.00 70.42 H new ATOM 0 HB3 PRO A 6 12.289 13.604 -6.798 1.00 70.42 H new ATOM 0 HG2 PRO A 6 11.049 11.693 -5.403 1.00 23.20 H new ATOM 0 HG3 PRO A 6 12.757 11.993 -5.152 1.00 23.20 H new ATOM 0 HD2 PRO A 6 10.417 12.847 -3.436 1.00 1.15 H new ATOM 0 HD3 PRO A 6 11.980 12.235 -2.933 1.00 1.15 H new ATOM 105 N GLY A 7 11.648 16.854 -6.240 1.00 41.14 N ATOM 106 CA GLY A 7 10.985 18.136 -6.481 1.00 44.11 C ATOM 107 C GLY A 7 9.656 18.020 -7.230 1.00 22.23 C ATOM 108 O GLY A 7 9.606 18.194 -8.451 1.00 34.14 O ATOM 0 H GLY A 7 12.361 16.609 -6.927 1.00 41.14 H new ATOM 0 HA2 GLY A 7 10.809 18.627 -5.524 1.00 44.11 H new ATOM 0 HA3 GLY A 7 11.656 18.779 -7.051 1.00 44.11 H new ATOM 112 N GLY A 8 8.576 17.749 -6.499 1.00 42.12 N ATOM 113 CA GLY A 8 7.255 17.653 -7.118 1.00 72.02 C ATOM 114 C GLY A 8 6.186 17.082 -6.188 1.00 74.15 C ATOM 115 O GLY A 8 5.292 17.801 -5.736 1.00 70.02 O ATOM 0 H GLY A 8 8.588 17.594 -5.491 1.00 42.12 H new ATOM 0 HA2 GLY A 8 6.945 18.644 -7.450 1.00 72.02 H new ATOM 0 HA3 GLY A 8 7.324 17.026 -8.007 1.00 72.02 H new ATOM 119 N GLY A 9 6.274 15.784 -5.908 1.00 21.44 N ATOM 120 CA GLY A 9 5.300 15.117 -5.046 1.00 31.33 C ATOM 121 C GLY A 9 4.240 14.329 -5.819 1.00 55.05 C ATOM 122 O GLY A 9 3.431 13.614 -5.224 1.00 20.31 O ATOM 0 H GLY A 9 7.009 15.173 -6.265 1.00 21.44 H new ATOM 0 HA2 GLY A 9 5.826 14.440 -4.373 1.00 31.33 H new ATOM 0 HA3 GLY A 9 4.805 15.863 -4.425 1.00 31.33 H new ATOM 126 N LEU A 10 4.245 14.445 -7.150 1.00 61.21 N ATOM 127 CA LEU A 10 3.236 13.779 -7.993 1.00 10.13 C ATOM 128 C LEU A 10 3.829 12.572 -8.744 1.00 30.33 C ATOM 129 O LEU A 10 3.600 11.419 -8.366 1.00 65.34 O ATOM 130 CB LEU A 10 2.629 14.781 -8.992 1.00 22.32 C ATOM 131 CG LEU A 10 1.940 16.005 -8.359 1.00 73.20 C ATOM 132 CD1 LEU A 10 1.419 16.952 -9.439 1.00 72.43 C ATOM 133 CD2 LEU A 10 0.807 15.571 -7.429 1.00 5.15 C ATOM 0 H LEU A 10 4.932 14.991 -7.670 1.00 61.21 H new ATOM 0 HA LEU A 10 2.450 13.408 -7.336 1.00 10.13 H new ATOM 0 HB2 LEU A 10 3.420 15.132 -9.655 1.00 22.32 H new ATOM 0 HB3 LEU A 10 1.903 14.256 -9.612 1.00 22.32 H new ATOM 0 HG LEU A 10 2.681 16.540 -7.765 1.00 73.20 H new ATOM 0 HD11 LEU A 10 0.936 17.809 -8.969 1.00 72.43 H new ATOM 0 HD12 LEU A 10 2.251 17.296 -10.054 1.00 72.43 H new ATOM 0 HD13 LEU A 10 0.698 16.428 -10.066 1.00 72.43 H new ATOM 0 HD21 LEU A 10 0.336 16.452 -6.994 1.00 5.15 H new ATOM 0 HD22 LEU A 10 0.067 15.006 -7.996 1.00 5.15 H new ATOM 0 HD23 LEU A 10 1.209 14.945 -6.633 1.00 5.15 H new ATOM 145 N LYS A 11 4.589 12.842 -9.806 1.00 14.10 N ATOM 146 CA LYS A 11 5.263 11.785 -10.582 1.00 62.31 C ATOM 147 C LYS A 11 6.411 11.148 -9.779 1.00 60.52 C ATOM 148 O LYS A 11 6.874 10.045 -10.080 1.00 62.12 O ATOM 149 CB LYS A 11 5.817 12.372 -11.890 1.00 65.35 C ATOM 150 CG LYS A 11 6.778 13.547 -11.679 1.00 15.35 C ATOM 151 CD LYS A 11 7.325 14.095 -12.999 1.00 32.41 C ATOM 152 CE LYS A 11 8.251 13.098 -13.695 1.00 61.13 C ATOM 153 NZ LYS A 11 9.490 12.849 -12.911 1.00 0.21 N ATOM 0 H LYS A 11 4.757 13.786 -10.154 1.00 14.10 H new ATOM 0 HA LYS A 11 4.529 11.011 -10.805 1.00 62.31 H new ATOM 0 HB2 LYS A 11 6.334 11.586 -12.441 1.00 65.35 H new ATOM 0 HB3 LYS A 11 4.984 12.702 -12.511 1.00 65.35 H new ATOM 0 HG2 LYS A 11 6.262 14.344 -11.144 1.00 15.35 H new ATOM 0 HG3 LYS A 11 7.608 13.226 -11.050 1.00 15.35 H new ATOM 0 HD2 LYS A 11 6.495 14.341 -13.661 1.00 32.41 H new ATOM 0 HD3 LYS A 11 7.867 15.022 -12.810 1.00 32.41 H new ATOM 0 HE2 LYS A 11 7.722 12.157 -13.847 1.00 61.13 H new ATOM 0 HE3 LYS A 11 8.516 13.477 -14.682 1.00 61.13 H new ATOM 0 HZ1 LYS A 11 10.182 12.350 -13.505 1.00 0.21 H new ATOM 0 HZ2 LYS A 11 9.892 13.756 -12.599 1.00 0.21 H new ATOM 0 HZ3 LYS A 11 9.264 12.267 -12.080 1.00 0.21 H new ATOM 167 N ASP A 12 6.859 11.869 -8.762 1.00 63.21 N ATOM 168 CA ASP A 12 7.987 11.459 -7.926 1.00 1.31 C ATOM 169 C ASP A 12 7.657 10.212 -7.093 1.00 41.31 C ATOM 170 O ASP A 12 8.523 9.377 -6.834 1.00 50.42 O ATOM 171 CB ASP A 12 8.367 12.629 -7.022 1.00 64.13 C ATOM 172 CG ASP A 12 8.418 13.925 -7.808 1.00 34.41 C ATOM 173 OD1 ASP A 12 7.343 14.513 -8.045 1.00 55.03 O ATOM 174 OD2 ASP A 12 9.517 14.334 -8.225 1.00 23.30 O ATOM 0 H ASP A 12 6.450 12.762 -8.488 1.00 63.21 H new ATOM 0 HA ASP A 12 8.827 11.192 -8.567 1.00 1.31 H new ATOM 0 HB2 ASP A 12 7.643 12.718 -6.212 1.00 64.13 H new ATOM 0 HB3 ASP A 12 9.337 12.439 -6.563 1.00 64.13 H new ATOM 179 N THR A 13 6.399 10.095 -6.674 1.00 1.50 N ATOM 180 CA THR A 13 5.938 8.912 -5.944 1.00 23.05 C ATOM 181 C THR A 13 5.757 7.727 -6.901 1.00 33.34 C ATOM 182 O THR A 13 4.958 7.789 -7.836 1.00 73.14 O ATOM 183 CB THR A 13 4.610 9.186 -5.197 1.00 1.20 C ATOM 184 OG1 THR A 13 3.604 9.638 -6.115 1.00 4.50 O ATOM 185 CG2 THR A 13 4.803 10.233 -4.105 1.00 51.11 C ATOM 0 H THR A 13 5.680 10.803 -6.826 1.00 1.50 H new ATOM 0 HA THR A 13 6.701 8.667 -5.205 1.00 23.05 H new ATOM 0 HB THR A 13 4.289 8.252 -4.737 1.00 1.20 H new ATOM 0 HG1 THR A 13 3.748 9.220 -6.990 1.00 4.50 H new ATOM 0 HG21 THR A 13 3.855 10.407 -3.596 1.00 51.11 H new ATOM 0 HG22 THR A 13 5.541 9.877 -3.386 1.00 51.11 H new ATOM 0 HG23 THR A 13 5.151 11.164 -4.551 1.00 51.11 H new ATOM 193 N LYS A 14 6.498 6.654 -6.651 1.00 10.34 N ATOM 194 CA LYS A 14 6.576 5.521 -7.576 1.00 45.01 C ATOM 195 C LYS A 14 5.319 4.632 -7.517 1.00 40.43 C ATOM 196 O LYS A 14 4.826 4.306 -6.435 1.00 15.31 O ATOM 197 CB LYS A 14 7.818 4.681 -7.256 1.00 23.51 C ATOM 198 CG LYS A 14 9.099 5.501 -7.081 1.00 63.01 C ATOM 199 CD LYS A 14 9.486 6.291 -8.335 1.00 61.41 C ATOM 200 CE LYS A 14 10.077 5.408 -9.437 1.00 73.14 C ATOM 201 NZ LYS A 14 9.081 4.474 -10.026 1.00 3.31 N ATOM 0 H LYS A 14 7.060 6.541 -5.807 1.00 10.34 H new ATOM 0 HA LYS A 14 6.644 5.925 -8.586 1.00 45.01 H new ATOM 0 HB2 LYS A 14 7.635 4.114 -6.343 1.00 23.51 H new ATOM 0 HB3 LYS A 14 7.970 3.957 -8.056 1.00 23.51 H new ATOM 0 HG2 LYS A 14 8.969 6.193 -6.249 1.00 63.01 H new ATOM 0 HG3 LYS A 14 9.917 4.832 -6.814 1.00 63.01 H new ATOM 0 HD2 LYS A 14 8.605 6.804 -8.721 1.00 61.41 H new ATOM 0 HD3 LYS A 14 10.210 7.060 -8.065 1.00 61.41 H new ATOM 0 HE2 LYS A 14 10.483 6.042 -10.225 1.00 73.14 H new ATOM 0 HE3 LYS A 14 10.909 4.834 -9.029 1.00 73.14 H new ATOM 0 HZ1 LYS A 14 9.276 4.354 -11.041 1.00 3.31 H new ATOM 0 HZ2 LYS A 14 9.145 3.552 -9.549 1.00 3.31 H new ATOM 0 HZ3 LYS A 14 8.124 4.862 -9.901 1.00 3.31 H new ATOM 215 N PRO A 15 4.784 4.227 -8.687 1.00 33.42 N ATOM 216 CA PRO A 15 3.609 3.343 -8.766 1.00 73.10 C ATOM 217 C PRO A 15 3.919 1.885 -8.367 1.00 14.15 C ATOM 218 O PRO A 15 4.631 1.166 -9.075 1.00 21.41 O ATOM 219 CB PRO A 15 3.188 3.423 -10.252 1.00 4.22 C ATOM 220 CG PRO A 15 3.989 4.545 -10.835 1.00 41.20 C ATOM 221 CD PRO A 15 5.252 4.611 -10.025 1.00 4.33 C ATOM 0 HA PRO A 15 2.830 3.657 -8.071 1.00 73.10 H new ATOM 0 HB2 PRO A 15 3.392 2.485 -10.769 1.00 4.22 H new ATOM 0 HB3 PRO A 15 2.119 3.613 -10.347 1.00 4.22 H new ATOM 0 HG2 PRO A 15 4.208 4.363 -11.887 1.00 41.20 H new ATOM 0 HG3 PRO A 15 3.441 5.486 -10.782 1.00 41.20 H new ATOM 0 HD2 PRO A 15 6.013 3.928 -10.402 1.00 4.33 H new ATOM 0 HD3 PRO A 15 5.689 5.610 -10.032 1.00 4.33 H new ATOM 229 N VAL A 16 3.394 1.462 -7.221 1.00 53.33 N ATOM 230 CA VAL A 16 3.540 0.077 -6.752 1.00 33.51 C ATOM 231 C VAL A 16 2.222 -0.699 -6.918 1.00 51.44 C ATOM 232 O VAL A 16 1.145 -0.179 -6.628 1.00 64.01 O ATOM 233 CB VAL A 16 3.972 0.033 -5.262 1.00 4.25 C ATOM 234 CG1 VAL A 16 4.179 -1.408 -4.789 1.00 30.33 C ATOM 235 CG2 VAL A 16 5.236 0.867 -5.041 1.00 73.00 C ATOM 0 H VAL A 16 2.858 2.060 -6.592 1.00 53.33 H new ATOM 0 HA VAL A 16 4.314 -0.391 -7.361 1.00 33.51 H new ATOM 0 HB VAL A 16 3.169 0.466 -4.666 1.00 4.25 H new ATOM 0 HG11 VAL A 16 4.481 -1.407 -3.742 1.00 30.33 H new ATOM 0 HG12 VAL A 16 3.248 -1.964 -4.898 1.00 30.33 H new ATOM 0 HG13 VAL A 16 4.956 -1.880 -5.390 1.00 30.33 H new ATOM 0 HG21 VAL A 16 5.522 0.823 -3.990 1.00 73.00 H new ATOM 0 HG22 VAL A 16 6.045 0.471 -5.654 1.00 73.00 H new ATOM 0 HG23 VAL A 16 5.042 1.902 -5.321 1.00 73.00 H new ATOM 245 N VAL A 17 2.310 -1.940 -7.390 1.00 43.34 N ATOM 246 CA VAL A 17 1.118 -2.779 -7.580 1.00 63.21 C ATOM 247 C VAL A 17 0.835 -3.630 -6.334 1.00 62.11 C ATOM 248 O VAL A 17 1.626 -4.505 -5.976 1.00 43.33 O ATOM 249 CB VAL A 17 1.269 -3.713 -8.809 1.00 3.41 C ATOM 250 CG1 VAL A 17 0.008 -4.556 -9.018 1.00 61.43 C ATOM 251 CG2 VAL A 17 1.598 -2.903 -10.063 1.00 61.14 C ATOM 0 H VAL A 17 3.188 -2.390 -7.649 1.00 43.34 H new ATOM 0 HA VAL A 17 0.281 -2.102 -7.752 1.00 63.21 H new ATOM 0 HB VAL A 17 2.097 -4.395 -8.616 1.00 3.41 H new ATOM 0 HG11 VAL A 17 0.142 -5.201 -9.886 1.00 61.43 H new ATOM 0 HG12 VAL A 17 -0.171 -5.169 -8.134 1.00 61.43 H new ATOM 0 HG13 VAL A 17 -0.846 -3.899 -9.182 1.00 61.43 H new ATOM 0 HG21 VAL A 17 1.700 -3.576 -10.914 1.00 61.14 H new ATOM 0 HG22 VAL A 17 0.796 -2.191 -10.257 1.00 61.14 H new ATOM 0 HG23 VAL A 17 2.533 -2.364 -9.913 1.00 61.14 H new ATOM 261 N VAL A 18 -0.296 -3.373 -5.680 1.00 62.30 N ATOM 262 CA VAL A 18 -0.684 -4.118 -4.477 1.00 43.43 C ATOM 263 C VAL A 18 -2.044 -4.817 -4.678 1.00 42.55 C ATOM 264 O VAL A 18 -2.891 -4.346 -5.435 1.00 11.40 O ATOM 265 CB VAL A 18 -0.743 -3.184 -3.237 1.00 74.30 C ATOM 266 CG1 VAL A 18 -1.833 -2.122 -3.398 1.00 44.34 C ATOM 267 CG2 VAL A 18 -0.941 -3.993 -1.953 1.00 73.24 C ATOM 0 H VAL A 18 -0.963 -2.654 -5.961 1.00 62.30 H new ATOM 0 HA VAL A 18 0.076 -4.879 -4.301 1.00 43.43 H new ATOM 0 HB VAL A 18 0.213 -2.666 -3.160 1.00 74.30 H new ATOM 0 HG11 VAL A 18 -1.851 -1.483 -2.515 1.00 44.34 H new ATOM 0 HG12 VAL A 18 -1.624 -1.517 -4.280 1.00 44.34 H new ATOM 0 HG13 VAL A 18 -2.801 -2.609 -3.513 1.00 44.34 H new ATOM 0 HG21 VAL A 18 -0.979 -3.317 -1.099 1.00 73.24 H new ATOM 0 HG22 VAL A 18 -1.875 -4.552 -2.015 1.00 73.24 H new ATOM 0 HG23 VAL A 18 -0.110 -4.688 -1.829 1.00 73.24 H new ATOM 277 N ARG A 19 -2.239 -5.953 -4.008 1.00 63.41 N ATOM 278 CA ARG A 19 -3.475 -6.739 -4.149 1.00 53.11 C ATOM 279 C ARG A 19 -4.265 -6.824 -2.831 1.00 62.14 C ATOM 280 O ARG A 19 -3.695 -7.062 -1.767 1.00 54.13 O ATOM 281 CB ARG A 19 -3.152 -8.158 -4.639 1.00 4.15 C ATOM 282 CG ARG A 19 -2.733 -8.242 -6.102 1.00 42.22 C ATOM 283 CD ARG A 19 -2.513 -9.692 -6.531 1.00 53.34 C ATOM 284 NE ARG A 19 -2.394 -9.834 -7.980 1.00 23.35 N ATOM 285 CZ ARG A 19 -2.566 -10.961 -8.619 1.00 55.51 C ATOM 286 NH1 ARG A 19 -2.801 -12.055 -7.965 1.00 53.50 N ATOM 287 NH2 ARG A 19 -2.484 -10.995 -9.912 1.00 12.14 N ATOM 0 H ARG A 19 -1.560 -6.353 -3.361 1.00 63.41 H new ATOM 0 HA ARG A 19 -4.096 -6.224 -4.882 1.00 53.11 H new ATOM 0 HB2 ARG A 19 -2.353 -8.569 -4.021 1.00 4.15 H new ATOM 0 HB3 ARG A 19 -4.028 -8.789 -4.488 1.00 4.15 H new ATOM 0 HG2 ARG A 19 -3.499 -7.787 -6.729 1.00 42.22 H new ATOM 0 HG3 ARG A 19 -1.816 -7.672 -6.254 1.00 42.22 H new ATOM 0 HD2 ARG A 19 -1.610 -10.075 -6.056 1.00 53.34 H new ATOM 0 HD3 ARG A 19 -3.343 -10.303 -6.176 1.00 53.34 H new ATOM 0 HE ARG A 19 -2.163 -9.004 -8.526 1.00 23.35 H new ATOM 0 HH11 ARG A 19 -2.853 -12.039 -6.946 1.00 53.50 H new ATOM 0 HH12 ARG A 19 -2.934 -12.932 -8.469 1.00 53.50 H new ATOM 0 HH21 ARG A 19 -2.285 -10.141 -10.433 1.00 12.14 H new ATOM 0 HH22 ARG A 19 -2.619 -11.876 -10.409 1.00 12.14 H new ATOM 301 N LEU A 20 -5.585 -6.646 -2.919 1.00 43.14 N ATOM 302 CA LEU A 20 -6.478 -6.787 -1.756 1.00 13.00 C ATOM 303 C LEU A 20 -7.720 -7.622 -2.123 1.00 51.04 C ATOM 304 O LEU A 20 -8.147 -7.638 -3.280 1.00 31.11 O ATOM 305 CB LEU A 20 -6.896 -5.402 -1.230 1.00 21.32 C ATOM 306 CG LEU A 20 -7.733 -5.411 0.064 1.00 54.12 C ATOM 307 CD1 LEU A 20 -6.962 -6.068 1.209 1.00 64.31 C ATOM 308 CD2 LEU A 20 -8.157 -3.994 0.444 1.00 23.30 C ATOM 0 H LEU A 20 -6.065 -6.403 -3.785 1.00 43.14 H new ATOM 0 HA LEU A 20 -5.936 -7.309 -0.967 1.00 13.00 H new ATOM 0 HB2 LEU A 20 -5.996 -4.811 -1.057 1.00 21.32 H new ATOM 0 HB3 LEU A 20 -7.466 -4.894 -2.008 1.00 21.32 H new ATOM 0 HG LEU A 20 -8.632 -5.999 -0.121 1.00 54.12 H new ATOM 0 HD11 LEU A 20 -7.574 -6.062 2.111 1.00 64.31 H new ATOM 0 HD12 LEU A 20 -6.720 -7.097 0.942 1.00 64.31 H new ATOM 0 HD13 LEU A 20 -6.041 -5.515 1.392 1.00 64.31 H new ATOM 0 HD21 LEU A 20 -8.747 -4.024 1.360 1.00 23.30 H new ATOM 0 HD22 LEU A 20 -7.271 -3.379 0.603 1.00 23.30 H new ATOM 0 HD23 LEU A 20 -8.756 -3.566 -0.359 1.00 23.30 H new ATOM 320 N TYR A 21 -8.281 -8.329 -1.143 1.00 0.11 N ATOM 321 CA TYR A 21 -9.438 -9.208 -1.378 1.00 51.43 C ATOM 322 C TYR A 21 -10.708 -8.405 -1.713 1.00 31.51 C ATOM 323 O TYR A 21 -11.095 -7.512 -0.962 1.00 70.22 O ATOM 324 CB TYR A 21 -9.676 -10.096 -0.150 1.00 53.32 C ATOM 325 CG TYR A 21 -8.526 -11.047 0.134 1.00 62.31 C ATOM 326 CD1 TYR A 21 -7.428 -10.643 0.889 1.00 42.11 C ATOM 327 CD2 TYR A 21 -8.531 -12.344 -0.371 1.00 33.22 C ATOM 328 CE1 TYR A 21 -6.371 -11.503 1.129 1.00 33.33 C ATOM 329 CE2 TYR A 21 -7.482 -13.209 -0.129 1.00 61.34 C ATOM 330 CZ TYR A 21 -6.405 -12.785 0.618 1.00 40.41 C ATOM 331 OH TYR A 21 -5.352 -13.643 0.841 1.00 20.42 O ATOM 0 H TYR A 21 -7.957 -8.314 -0.176 1.00 0.11 H new ATOM 0 HA TYR A 21 -9.213 -9.835 -2.241 1.00 51.43 H new ATOM 0 HB2 TYR A 21 -9.839 -9.463 0.722 1.00 53.32 H new ATOM 0 HB3 TYR A 21 -10.588 -10.674 -0.299 1.00 53.32 H new ATOM 0 HD1 TYR A 21 -7.401 -9.642 1.294 1.00 42.11 H new ATOM 0 HD2 TYR A 21 -9.370 -12.680 -0.962 1.00 33.22 H new ATOM 0 HE1 TYR A 21 -5.524 -11.173 1.713 1.00 33.33 H new ATOM 0 HE2 TYR A 21 -7.506 -14.214 -0.524 1.00 61.34 H new ATOM 0 HH TYR A 21 -5.692 -14.498 1.179 1.00 20.42 H new ATOM 341 N PRO A 22 -11.386 -8.731 -2.841 1.00 35.34 N ATOM 342 CA PRO A 22 -12.579 -7.991 -3.311 1.00 0.41 C ATOM 343 C PRO A 22 -13.640 -7.785 -2.217 1.00 53.33 C ATOM 344 O PRO A 22 -14.223 -6.703 -2.094 1.00 52.00 O ATOM 345 CB PRO A 22 -13.132 -8.888 -4.427 1.00 4.04 C ATOM 346 CG PRO A 22 -11.946 -9.634 -4.935 1.00 40.14 C ATOM 347 CD PRO A 22 -11.050 -9.852 -3.743 1.00 43.13 C ATOM 0 HA PRO A 22 -12.320 -6.982 -3.631 1.00 0.41 H new ATOM 0 HB2 PRO A 22 -13.895 -9.568 -4.047 1.00 4.04 H new ATOM 0 HB3 PRO A 22 -13.596 -8.297 -5.217 1.00 4.04 H new ATOM 0 HG2 PRO A 22 -12.243 -10.584 -5.378 1.00 40.14 H new ATOM 0 HG3 PRO A 22 -11.432 -9.067 -5.711 1.00 40.14 H new ATOM 0 HD2 PRO A 22 -11.239 -10.816 -3.271 1.00 43.13 H new ATOM 0 HD3 PRO A 22 -9.997 -9.837 -4.025 1.00 43.13 H new ATOM 355 N ASP A 23 -13.879 -8.832 -1.430 1.00 33.34 N ATOM 356 CA ASP A 23 -14.834 -8.782 -0.318 1.00 71.40 C ATOM 357 C ASP A 23 -14.464 -7.679 0.693 1.00 74.44 C ATOM 358 O ASP A 23 -15.328 -6.974 1.211 1.00 52.00 O ATOM 359 CB ASP A 23 -14.876 -10.150 0.372 1.00 4.34 C ATOM 360 CG ASP A 23 -15.941 -10.227 1.449 1.00 3.55 C ATOM 361 OD1 ASP A 23 -17.139 -10.222 1.097 1.00 64.00 O ATOM 362 OD2 ASP A 23 -15.591 -10.289 2.647 1.00 54.43 O ATOM 0 H ASP A 23 -13.420 -9.736 -1.542 1.00 33.34 H new ATOM 0 HA ASP A 23 -15.820 -8.541 -0.715 1.00 71.40 H new ATOM 0 HB2 ASP A 23 -15.062 -10.923 -0.373 1.00 4.34 H new ATOM 0 HB3 ASP A 23 -13.902 -10.360 0.814 1.00 4.34 H new ATOM 367 N GLU A 24 -13.168 -7.530 0.950 1.00 13.34 N ATOM 368 CA GLU A 24 -12.670 -6.520 1.890 1.00 63.44 C ATOM 369 C GLU A 24 -12.531 -5.143 1.217 1.00 70.22 C ATOM 370 O GLU A 24 -12.681 -4.110 1.868 1.00 63.35 O ATOM 371 CB GLU A 24 -11.336 -6.988 2.484 1.00 54.31 C ATOM 372 CG GLU A 24 -11.478 -8.266 3.307 1.00 1.52 C ATOM 373 CD GLU A 24 -10.150 -8.838 3.766 1.00 4.10 C ATOM 374 OE1 GLU A 24 -9.555 -8.285 4.712 1.00 12.11 O ATOM 375 OE2 GLU A 24 -9.706 -9.853 3.187 1.00 10.43 O ATOM 0 H GLU A 24 -12.437 -8.097 0.520 1.00 13.34 H new ATOM 0 HA GLU A 24 -13.394 -6.404 2.696 1.00 63.44 H new ATOM 0 HB2 GLU A 24 -10.622 -7.157 1.678 1.00 54.31 H new ATOM 0 HB3 GLU A 24 -10.925 -6.198 3.113 1.00 54.31 H new ATOM 0 HG2 GLU A 24 -12.098 -8.060 4.180 1.00 1.52 H new ATOM 0 HG3 GLU A 24 -12.002 -9.015 2.714 1.00 1.52 H new ATOM 382 N ILE A 25 -12.257 -5.132 -0.092 1.00 40.41 N ATOM 383 CA ILE A 25 -12.298 -3.888 -0.878 1.00 2.21 C ATOM 384 C ILE A 25 -13.709 -3.291 -0.826 1.00 50.55 C ATOM 385 O ILE A 25 -13.896 -2.072 -0.802 1.00 44.32 O ATOM 386 CB ILE A 25 -11.900 -4.127 -2.360 1.00 60.35 C ATOM 387 CG1 ILE A 25 -10.466 -4.670 -2.456 1.00 53.33 C ATOM 388 CG2 ILE A 25 -12.040 -2.841 -3.178 1.00 74.21 C ATOM 389 CD1 ILE A 25 -10.016 -4.969 -3.872 1.00 73.04 C ATOM 0 H ILE A 25 -12.006 -5.962 -0.629 1.00 40.41 H new ATOM 0 HA ILE A 25 -11.577 -3.197 -0.440 1.00 2.21 H new ATOM 0 HB ILE A 25 -12.580 -4.871 -2.775 1.00 60.35 H new ATOM 0 HG12 ILE A 25 -9.783 -3.945 -2.014 1.00 53.33 H new ATOM 0 HG13 ILE A 25 -10.392 -5.581 -1.862 1.00 53.33 H new ATOM 0 HG21 ILE A 25 -11.755 -3.035 -4.212 1.00 74.21 H new ATOM 0 HG22 ILE A 25 -13.074 -2.499 -3.144 1.00 74.21 H new ATOM 0 HG23 ILE A 25 -11.390 -2.072 -2.761 1.00 74.21 H new ATOM 0 HD11 ILE A 25 -8.994 -5.348 -3.857 1.00 73.04 H new ATOM 0 HD12 ILE A 25 -10.674 -5.718 -4.313 1.00 73.04 H new ATOM 0 HD13 ILE A 25 -10.055 -4.056 -4.467 1.00 73.04 H new ATOM 401 N GLU A 26 -14.698 -4.177 -0.796 1.00 21.32 N ATOM 402 CA GLU A 26 -16.097 -3.796 -0.619 1.00 10.35 C ATOM 403 C GLU A 26 -16.296 -3.033 0.701 1.00 41.52 C ATOM 404 O GLU A 26 -17.066 -2.074 0.770 1.00 2.40 O ATOM 405 CB GLU A 26 -16.960 -5.062 -0.659 1.00 4.01 C ATOM 406 CG GLU A 26 -18.456 -4.818 -0.528 1.00 52.41 C ATOM 407 CD GLU A 26 -19.255 -6.095 -0.732 1.00 32.51 C ATOM 408 OE1 GLU A 26 -19.509 -6.454 -1.902 1.00 22.25 O ATOM 409 OE2 GLU A 26 -19.610 -6.753 0.269 1.00 5.13 O ATOM 0 H GLU A 26 -14.553 -5.182 -0.894 1.00 21.32 H new ATOM 0 HA GLU A 26 -16.398 -3.127 -1.425 1.00 10.35 H new ATOM 0 HB2 GLU A 26 -16.772 -5.584 -1.597 1.00 4.01 H new ATOM 0 HB3 GLU A 26 -16.643 -5.727 0.144 1.00 4.01 H new ATOM 0 HG2 GLU A 26 -18.673 -4.407 0.458 1.00 52.41 H new ATOM 0 HG3 GLU A 26 -18.768 -4.073 -1.259 1.00 52.41 H new ATOM 416 N ALA A 27 -15.585 -3.457 1.741 1.00 70.14 N ATOM 417 CA ALA A 27 -15.582 -2.745 3.023 1.00 5.23 C ATOM 418 C ALA A 27 -14.692 -1.492 2.964 1.00 72.23 C ATOM 419 O ALA A 27 -14.930 -0.510 3.668 1.00 14.54 O ATOM 420 CB ALA A 27 -15.110 -3.675 4.135 1.00 73.11 C ATOM 0 H ALA A 27 -15.000 -4.293 1.725 1.00 70.14 H new ATOM 0 HA ALA A 27 -16.601 -2.422 3.234 1.00 5.23 H new ATOM 0 HB1 ALA A 27 -15.111 -3.138 5.083 1.00 73.11 H new ATOM 0 HB2 ALA A 27 -15.781 -4.531 4.202 1.00 73.11 H new ATOM 0 HB3 ALA A 27 -14.100 -4.022 3.915 1.00 73.11 H new ATOM 426 N LEU A 28 -13.665 -1.537 2.120 1.00 3.11 N ATOM 427 CA LEU A 28 -12.739 -0.412 1.951 1.00 24.55 C ATOM 428 C LEU A 28 -13.446 0.816 1.350 1.00 44.13 C ATOM 429 O LEU A 28 -13.320 1.931 1.860 1.00 20.54 O ATOM 430 CB LEU A 28 -11.563 -0.832 1.058 1.00 31.01 C ATOM 431 CG LEU A 28 -10.432 0.201 0.918 1.00 74.22 C ATOM 432 CD1 LEU A 28 -9.763 0.453 2.266 1.00 73.11 C ATOM 433 CD2 LEU A 28 -9.409 -0.259 -0.118 1.00 24.42 C ATOM 0 H LEU A 28 -13.449 -2.345 1.537 1.00 3.11 H new ATOM 0 HA LEU A 28 -12.366 -0.133 2.936 1.00 24.55 H new ATOM 0 HB2 LEU A 28 -11.140 -1.755 1.455 1.00 31.01 H new ATOM 0 HB3 LEU A 28 -11.948 -1.059 0.064 1.00 31.01 H new ATOM 0 HG LEU A 28 -10.866 1.140 0.574 1.00 74.22 H new ATOM 0 HD11 LEU A 28 -8.966 1.187 2.145 1.00 73.11 H new ATOM 0 HD12 LEU A 28 -10.501 0.832 2.973 1.00 73.11 H new ATOM 0 HD13 LEU A 28 -9.344 -0.479 2.644 1.00 73.11 H new ATOM 0 HD21 LEU A 28 -8.617 0.485 -0.203 1.00 24.42 H new ATOM 0 HD22 LEU A 28 -8.980 -1.212 0.192 1.00 24.42 H new ATOM 0 HD23 LEU A 28 -9.899 -0.379 -1.084 1.00 24.42 H new ATOM 445 N LYS A 29 -14.200 0.609 0.268 1.00 51.04 N ATOM 446 CA LYS A 29 -14.930 1.707 -0.388 1.00 21.24 C ATOM 447 C LYS A 29 -15.967 2.352 0.552 1.00 2.45 C ATOM 448 O LYS A 29 -16.435 3.462 0.306 1.00 52.24 O ATOM 449 CB LYS A 29 -15.621 1.214 -1.670 1.00 4.13 C ATOM 450 CG LYS A 29 -16.672 0.129 -1.446 1.00 73.23 C ATOM 451 CD LYS A 29 -17.410 -0.224 -2.739 1.00 11.42 C ATOM 452 CE LYS A 29 -18.445 -1.326 -2.523 1.00 22.23 C ATOM 453 NZ LYS A 29 -19.237 -1.605 -3.752 1.00 72.53 N ATOM 0 H LYS A 29 -14.324 -0.302 -0.174 1.00 51.04 H new ATOM 0 HA LYS A 29 -14.194 2.468 -0.648 1.00 21.24 H new ATOM 0 HB2 LYS A 29 -16.094 2.064 -2.163 1.00 4.13 H new ATOM 0 HB3 LYS A 29 -14.862 0.832 -2.353 1.00 4.13 H new ATOM 0 HG2 LYS A 29 -16.192 -0.764 -1.046 1.00 73.23 H new ATOM 0 HG3 LYS A 29 -17.390 0.467 -0.699 1.00 73.23 H new ATOM 0 HD2 LYS A 29 -17.904 0.666 -3.129 1.00 11.42 H new ATOM 0 HD3 LYS A 29 -16.690 -0.545 -3.492 1.00 11.42 H new ATOM 0 HE2 LYS A 29 -17.940 -2.238 -2.204 1.00 22.23 H new ATOM 0 HE3 LYS A 29 -19.119 -1.036 -1.717 1.00 22.23 H new ATOM 0 HZ1 LYS A 29 -19.926 -2.359 -3.557 1.00 72.53 H new ATOM 0 HZ2 LYS A 29 -19.740 -0.743 -4.044 1.00 72.53 H new ATOM 0 HZ3 LYS A 29 -18.599 -1.908 -4.515 1.00 72.53 H new ATOM 467 N SER A 30 -16.315 1.655 1.629 1.00 30.45 N ATOM 468 CA SER A 30 -17.269 2.177 2.617 1.00 62.15 C ATOM 469 C SER A 30 -16.640 3.264 3.507 1.00 73.23 C ATOM 470 O SER A 30 -17.346 4.117 4.055 1.00 1.43 O ATOM 471 CB SER A 30 -17.791 1.035 3.500 1.00 11.22 C ATOM 472 OG SER A 30 -18.643 1.516 4.527 1.00 5.13 O ATOM 0 H SER A 30 -15.954 0.726 1.845 1.00 30.45 H new ATOM 0 HA SER A 30 -18.093 2.628 2.065 1.00 62.15 H new ATOM 0 HB2 SER A 30 -18.332 0.317 2.884 1.00 11.22 H new ATOM 0 HB3 SER A 30 -16.949 0.504 3.944 1.00 11.22 H new ATOM 0 HG SER A 30 -18.959 0.763 5.069 1.00 5.13 H new ATOM 478 N ARG A 31 -15.310 3.246 3.632 1.00 64.51 N ATOM 479 CA ARG A 31 -14.601 4.146 4.559 1.00 4.11 C ATOM 480 C ARG A 31 -13.740 5.189 3.817 1.00 73.20 C ATOM 481 O ARG A 31 -12.836 5.789 4.405 1.00 42.51 O ATOM 482 CB ARG A 31 -13.720 3.311 5.503 1.00 13.23 C ATOM 483 CG ARG A 31 -12.595 2.561 4.793 1.00 24.30 C ATOM 484 CD ARG A 31 -11.940 1.520 5.690 1.00 62.33 C ATOM 485 NE ARG A 31 -11.343 2.102 6.890 1.00 60.51 N ATOM 486 CZ ARG A 31 -10.989 1.407 7.938 1.00 41.43 C ATOM 487 NH1 ARG A 31 -11.219 0.132 7.992 1.00 42.30 N ATOM 488 NH2 ARG A 31 -10.423 1.988 8.942 1.00 73.41 N ATOM 0 H ARG A 31 -14.699 2.621 3.106 1.00 64.51 H new ATOM 0 HA ARG A 31 -15.349 4.696 5.130 1.00 4.11 H new ATOM 0 HB2 ARG A 31 -13.287 3.968 6.257 1.00 13.23 H new ATOM 0 HB3 ARG A 31 -14.348 2.592 6.030 1.00 13.23 H new ATOM 0 HG2 ARG A 31 -12.992 2.073 3.903 1.00 24.30 H new ATOM 0 HG3 ARG A 31 -11.842 3.273 4.457 1.00 24.30 H new ATOM 0 HD2 ARG A 31 -12.684 0.779 5.983 1.00 62.33 H new ATOM 0 HD3 ARG A 31 -11.170 0.993 5.126 1.00 62.33 H new ATOM 0 HE ARG A 31 -11.194 3.111 6.911 1.00 60.51 H new ATOM 0 HH11 ARG A 31 -11.680 -0.337 7.212 1.00 42.30 H new ATOM 0 HH12 ARG A 31 -10.939 -0.402 8.814 1.00 42.30 H new ATOM 0 HH21 ARG A 31 -10.251 2.993 8.919 1.00 73.41 H new ATOM 0 HH22 ARG A 31 -10.148 1.442 9.759 1.00 73.41 H new ATOM 502 N VAL A 32 -14.022 5.413 2.535 1.00 12.23 N ATOM 503 CA VAL A 32 -13.252 6.384 1.740 1.00 21.40 C ATOM 504 C VAL A 32 -14.047 7.683 1.485 1.00 34.45 C ATOM 505 O VAL A 32 -15.245 7.647 1.184 1.00 43.04 O ATOM 506 CB VAL A 32 -12.801 5.782 0.381 1.00 2.31 C ATOM 507 CG1 VAL A 32 -11.892 4.572 0.598 1.00 5.52 C ATOM 508 CG2 VAL A 32 -14.003 5.410 -0.483 1.00 71.12 C ATOM 0 H VAL A 32 -14.769 4.944 2.023 1.00 12.23 H new ATOM 0 HA VAL A 32 -12.369 6.627 2.331 1.00 21.40 H new ATOM 0 HB VAL A 32 -12.232 6.545 -0.150 1.00 2.31 H new ATOM 0 HG11 VAL A 32 -11.589 4.167 -0.367 1.00 5.52 H new ATOM 0 HG12 VAL A 32 -11.008 4.877 1.158 1.00 5.52 H new ATOM 0 HG13 VAL A 32 -12.431 3.808 1.159 1.00 5.52 H new ATOM 0 HG21 VAL A 32 -13.656 4.991 -1.428 1.00 71.12 H new ATOM 0 HG22 VAL A 32 -14.612 4.672 0.039 1.00 71.12 H new ATOM 0 HG23 VAL A 32 -14.600 6.301 -0.678 1.00 71.12 H new ATOM 518 N PRO A 33 -13.395 8.855 1.637 1.00 12.55 N ATOM 519 CA PRO A 33 -14.006 10.158 1.318 1.00 10.31 C ATOM 520 C PRO A 33 -14.131 10.394 -0.199 1.00 32.43 C ATOM 521 O PRO A 33 -13.305 9.925 -0.982 1.00 5.10 O ATOM 522 CB PRO A 33 -13.033 11.183 1.945 1.00 12.20 C ATOM 523 CG PRO A 33 -12.091 10.380 2.788 1.00 34.33 C ATOM 524 CD PRO A 33 -12.031 9.018 2.159 1.00 11.14 C ATOM 0 HA PRO A 33 -15.024 10.230 1.702 1.00 10.31 H new ATOM 0 HB2 PRO A 33 -12.496 11.736 1.174 1.00 12.20 H new ATOM 0 HB3 PRO A 33 -13.570 11.916 2.547 1.00 12.20 H new ATOM 0 HG2 PRO A 33 -11.103 10.841 2.816 1.00 34.33 H new ATOM 0 HG3 PRO A 33 -12.444 10.319 3.817 1.00 34.33 H new ATOM 0 HD2 PRO A 33 -11.284 8.968 1.367 1.00 11.14 H new ATOM 0 HD3 PRO A 33 -11.778 8.245 2.885 1.00 11.14 H new ATOM 532 N ALA A 34 -15.156 11.145 -0.604 1.00 50.43 N ATOM 533 CA ALA A 34 -15.409 11.428 -2.027 1.00 71.01 C ATOM 534 C ALA A 34 -14.209 12.105 -2.718 1.00 53.10 C ATOM 535 O ALA A 34 -14.052 12.016 -3.938 1.00 73.32 O ATOM 536 CB ALA A 34 -16.654 12.298 -2.170 1.00 72.53 C ATOM 0 H ALA A 34 -15.830 11.572 0.032 1.00 50.43 H new ATOM 0 HA ALA A 34 -15.566 10.471 -2.524 1.00 71.01 H new ATOM 0 HB1 ALA A 34 -16.835 12.503 -3.225 1.00 72.53 H new ATOM 0 HB2 ALA A 34 -17.513 11.776 -1.749 1.00 72.53 H new ATOM 0 HB3 ALA A 34 -16.504 13.237 -1.638 1.00 72.53 H new ATOM 542 N ASN A 35 -13.370 12.778 -1.934 1.00 65.24 N ATOM 543 CA ASN A 35 -12.207 13.498 -2.470 1.00 43.14 C ATOM 544 C ASN A 35 -10.975 12.586 -2.613 1.00 73.04 C ATOM 545 O ASN A 35 -9.979 12.971 -3.227 1.00 21.13 O ATOM 546 CB ASN A 35 -11.860 14.683 -1.556 1.00 52.11 C ATOM 547 CG ASN A 35 -13.045 15.603 -1.322 1.00 54.11 C ATOM 548 OD1 ASN A 35 -13.929 15.720 -2.159 1.00 72.32 O ATOM 549 ND2 ASN A 35 -13.071 16.264 -0.186 1.00 13.14 N ATOM 0 H ASN A 35 -13.471 12.842 -0.921 1.00 65.24 H new ATOM 0 HA ASN A 35 -12.476 13.855 -3.464 1.00 43.14 H new ATOM 0 HB2 ASN A 35 -11.502 14.306 -0.598 1.00 52.11 H new ATOM 0 HB3 ASN A 35 -11.044 15.253 -2.000 1.00 52.11 H new ATOM 0 HD21 ASN A 35 -13.844 16.897 0.018 1.00 13.14 H new ATOM 0 HD22 ASN A 35 -12.318 16.144 0.491 1.00 13.14 H new ATOM 556 N THR A 36 -11.047 11.380 -2.052 1.00 31.45 N ATOM 557 CA THR A 36 -9.889 10.472 -2.015 1.00 71.44 C ATOM 558 C THR A 36 -10.187 9.132 -2.701 1.00 23.50 C ATOM 559 O THR A 36 -10.959 8.323 -2.189 1.00 21.04 O ATOM 560 CB THR A 36 -9.443 10.197 -0.557 1.00 35.50 C ATOM 561 OG1 THR A 36 -9.177 11.435 0.123 1.00 34.21 O ATOM 562 CG2 THR A 36 -8.196 9.314 -0.509 1.00 2.43 C ATOM 0 H THR A 36 -11.890 11.005 -1.617 1.00 31.45 H new ATOM 0 HA THR A 36 -9.088 10.974 -2.557 1.00 71.44 H new ATOM 0 HB THR A 36 -10.257 9.670 -0.059 1.00 35.50 H new ATOM 0 HG1 THR A 36 -8.898 11.249 1.044 1.00 34.21 H new ATOM 0 HG21 THR A 36 -7.912 9.142 0.529 1.00 2.43 H new ATOM 0 HG22 THR A 36 -8.408 8.359 -0.990 1.00 2.43 H new ATOM 0 HG23 THR A 36 -7.378 9.810 -1.031 1.00 2.43 H new ATOM 570 N SER A 37 -9.566 8.902 -3.860 1.00 34.41 N ATOM 571 CA SER A 37 -9.695 7.622 -4.577 1.00 10.21 C ATOM 572 C SER A 37 -9.092 6.467 -3.757 1.00 62.25 C ATOM 573 O SER A 37 -8.248 6.690 -2.887 1.00 23.11 O ATOM 574 CB SER A 37 -8.992 7.700 -5.942 1.00 53.31 C ATOM 575 OG SER A 37 -9.475 8.790 -6.717 1.00 13.11 O ATOM 0 H SER A 37 -8.967 9.583 -4.326 1.00 34.41 H new ATOM 0 HA SER A 37 -10.757 7.430 -4.726 1.00 10.21 H new ATOM 0 HB2 SER A 37 -7.917 7.806 -5.793 1.00 53.31 H new ATOM 0 HB3 SER A 37 -9.148 6.768 -6.486 1.00 53.31 H new ATOM 0 HG SER A 37 -9.007 8.812 -7.578 1.00 13.11 H new ATOM 581 N MET A 38 -9.518 5.234 -4.043 1.00 43.52 N ATOM 582 CA MET A 38 -9.031 4.057 -3.306 1.00 44.43 C ATOM 583 C MET A 38 -7.497 3.964 -3.335 1.00 64.34 C ATOM 584 O MET A 38 -6.865 3.756 -2.302 1.00 63.10 O ATOM 585 CB MET A 38 -9.638 2.767 -3.875 1.00 13.11 C ATOM 586 CG MET A 38 -11.155 2.689 -3.746 1.00 32.11 C ATOM 587 SD MET A 38 -11.825 1.116 -4.322 1.00 63.43 S ATOM 588 CE MET A 38 -11.267 1.097 -6.026 1.00 10.23 C ATOM 0 H MET A 38 -10.196 5.022 -4.775 1.00 43.52 H new ATOM 0 HA MET A 38 -9.347 4.175 -2.270 1.00 44.43 H new ATOM 0 HB2 MET A 38 -9.368 2.684 -4.928 1.00 13.11 H new ATOM 0 HB3 MET A 38 -9.195 1.912 -3.364 1.00 13.11 H new ATOM 0 HG2 MET A 38 -11.435 2.838 -2.703 1.00 32.11 H new ATOM 0 HG3 MET A 38 -11.606 3.501 -4.316 1.00 32.11 H new ATOM 0 HE1 MET A 38 -12.021 0.618 -6.651 1.00 10.23 H new ATOM 0 HE2 MET A 38 -11.108 2.120 -6.368 1.00 10.23 H new ATOM 0 HE3 MET A 38 -10.332 0.541 -6.096 1.00 10.23 H new ATOM 598 N SER A 39 -6.907 4.126 -4.521 1.00 21.01 N ATOM 599 CA SER A 39 -5.441 4.101 -4.671 1.00 61.42 C ATOM 600 C SER A 39 -4.767 5.120 -3.742 1.00 43.51 C ATOM 601 O SER A 39 -3.816 4.796 -3.028 1.00 30.42 O ATOM 602 CB SER A 39 -5.038 4.386 -6.123 1.00 50.32 C ATOM 603 OG SER A 39 -5.560 3.399 -7.003 1.00 1.22 O ATOM 0 H SER A 39 -7.416 4.276 -5.392 1.00 21.01 H new ATOM 0 HA SER A 39 -5.104 3.102 -4.395 1.00 61.42 H new ATOM 0 HB2 SER A 39 -5.402 5.370 -6.418 1.00 50.32 H new ATOM 0 HB3 SER A 39 -3.951 4.411 -6.204 1.00 50.32 H new ATOM 0 HG SER A 39 -4.834 2.814 -7.306 1.00 1.22 H new ATOM 609 N ALA A 40 -5.269 6.354 -3.758 1.00 65.24 N ATOM 610 CA ALA A 40 -4.779 7.401 -2.859 1.00 50.01 C ATOM 611 C ALA A 40 -5.000 7.022 -1.383 1.00 63.33 C ATOM 612 O ALA A 40 -4.192 7.354 -0.515 1.00 75.12 O ATOM 613 CB ALA A 40 -5.462 8.729 -3.178 1.00 11.43 C ATOM 0 H ALA A 40 -6.016 6.655 -4.384 1.00 65.24 H new ATOM 0 HA ALA A 40 -3.706 7.507 -3.016 1.00 50.01 H new ATOM 0 HB1 ALA A 40 -5.090 9.501 -2.504 1.00 11.43 H new ATOM 0 HB2 ALA A 40 -5.245 9.012 -4.208 1.00 11.43 H new ATOM 0 HB3 ALA A 40 -6.539 8.624 -3.050 1.00 11.43 H new ATOM 619 N TYR A 41 -6.100 6.320 -1.107 1.00 25.33 N ATOM 620 CA TYR A 41 -6.422 5.881 0.258 1.00 33.01 C ATOM 621 C TYR A 41 -5.463 4.773 0.731 1.00 63.35 C ATOM 622 O TYR A 41 -5.123 4.697 1.912 1.00 31.30 O ATOM 623 CB TYR A 41 -7.879 5.400 0.335 1.00 34.21 C ATOM 624 CG TYR A 41 -8.375 5.180 1.755 1.00 61.22 C ATOM 625 CD1 TYR A 41 -8.857 6.242 2.513 1.00 33.15 C ATOM 626 CD2 TYR A 41 -8.356 3.916 2.337 1.00 72.13 C ATOM 627 CE1 TYR A 41 -9.303 6.051 3.808 1.00 25.11 C ATOM 628 CE2 TYR A 41 -8.799 3.720 3.632 1.00 13.20 C ATOM 629 CZ TYR A 41 -9.273 4.789 4.361 1.00 34.31 C ATOM 630 OH TYR A 41 -9.713 4.597 5.652 1.00 53.12 O ATOM 0 H TYR A 41 -6.786 6.041 -1.809 1.00 25.33 H new ATOM 0 HA TYR A 41 -6.298 6.735 0.923 1.00 33.01 H new ATOM 0 HB2 TYR A 41 -8.521 6.132 -0.155 1.00 34.21 H new ATOM 0 HB3 TYR A 41 -7.975 4.468 -0.222 1.00 34.21 H new ATOM 0 HD1 TYR A 41 -8.883 7.232 2.083 1.00 33.15 H new ATOM 0 HD2 TYR A 41 -7.989 3.075 1.768 1.00 72.13 H new ATOM 0 HE1 TYR A 41 -9.673 6.887 4.383 1.00 25.11 H new ATOM 0 HE2 TYR A 41 -8.774 2.733 4.070 1.00 13.20 H new ATOM 0 HH TYR A 41 -10.410 5.253 5.861 1.00 53.12 H new ATOM 640 N ILE A 42 -5.023 3.923 -0.194 1.00 55.24 N ATOM 641 CA ILE A 42 -4.037 2.880 0.123 1.00 24.34 C ATOM 642 C ILE A 42 -2.727 3.504 0.637 1.00 11.13 C ATOM 643 O ILE A 42 -2.055 2.943 1.507 1.00 70.53 O ATOM 644 CB ILE A 42 -3.737 1.978 -1.109 1.00 42.40 C ATOM 645 CG1 ILE A 42 -5.016 1.261 -1.584 1.00 53.42 C ATOM 646 CG2 ILE A 42 -2.639 0.959 -0.791 1.00 25.30 C ATOM 647 CD1 ILE A 42 -5.646 0.360 -0.539 1.00 12.21 C ATOM 0 H ILE A 42 -5.329 3.932 -1.167 1.00 55.24 H new ATOM 0 HA ILE A 42 -4.471 2.258 0.906 1.00 24.34 H new ATOM 0 HB ILE A 42 -3.381 2.620 -1.915 1.00 42.40 H new ATOM 0 HG12 ILE A 42 -5.747 2.010 -1.891 1.00 53.42 H new ATOM 0 HG13 ILE A 42 -4.780 0.666 -2.466 1.00 53.42 H new ATOM 0 HG21 ILE A 42 -2.450 0.342 -1.669 1.00 25.30 H new ATOM 0 HG22 ILE A 42 -1.725 1.484 -0.512 1.00 25.30 H new ATOM 0 HG23 ILE A 42 -2.960 0.325 0.036 1.00 25.30 H new ATOM 0 HD11 ILE A 42 -6.540 -0.107 -0.952 1.00 12.21 H new ATOM 0 HD12 ILE A 42 -4.935 -0.413 -0.249 1.00 12.21 H new ATOM 0 HD13 ILE A 42 -5.917 0.951 0.336 1.00 12.21 H new ATOM 659 N ARG A 43 -2.381 4.679 0.104 1.00 55.20 N ATOM 660 CA ARG A 43 -1.182 5.405 0.539 1.00 23.34 C ATOM 661 C ARG A 43 -1.179 5.633 2.059 1.00 53.21 C ATOM 662 O ARG A 43 -0.259 5.210 2.744 1.00 72.42 O ATOM 663 CB ARG A 43 -1.056 6.751 -0.196 1.00 11.22 C ATOM 664 CG ARG A 43 0.054 7.652 0.354 1.00 41.41 C ATOM 665 CD ARG A 43 0.200 8.947 -0.442 1.00 61.33 C ATOM 666 NE ARG A 43 0.820 8.727 -1.748 1.00 72.03 N ATOM 667 CZ ARG A 43 0.954 9.654 -2.658 1.00 62.12 C ATOM 668 NH1 ARG A 43 0.464 10.837 -2.478 1.00 10.21 N ATOM 669 NH2 ARG A 43 1.571 9.388 -3.761 1.00 73.13 N ATOM 0 H ARG A 43 -2.913 5.148 -0.629 1.00 55.20 H new ATOM 0 HA ARG A 43 -0.322 4.785 0.287 1.00 23.34 H new ATOM 0 HB2 ARG A 43 -0.868 6.561 -1.253 1.00 11.22 H new ATOM 0 HB3 ARG A 43 -2.007 7.280 -0.132 1.00 11.22 H new ATOM 0 HG2 ARG A 43 -0.159 7.891 1.396 1.00 41.41 H new ATOM 0 HG3 ARG A 43 1.000 7.110 0.338 1.00 41.41 H new ATOM 0 HD2 ARG A 43 -0.782 9.399 -0.580 1.00 61.33 H new ATOM 0 HD3 ARG A 43 0.800 9.656 0.128 1.00 61.33 H new ATOM 0 HE ARG A 43 1.169 7.793 -1.961 1.00 72.03 H new ATOM 0 HH11 ARG A 43 -0.035 11.057 -1.616 1.00 10.21 H new ATOM 0 HH12 ARG A 43 0.577 11.551 -3.198 1.00 10.21 H new ATOM 0 HH21 ARG A 43 1.952 8.455 -3.920 1.00 73.13 H new ATOM 0 HH22 ARG A 43 1.677 10.110 -4.473 1.00 73.13 H new ATOM 683 N ARG A 44 -2.212 6.289 2.586 1.00 24.11 N ATOM 684 CA ARG A 44 -2.282 6.583 4.030 1.00 2.14 C ATOM 685 C ARG A 44 -2.294 5.304 4.894 1.00 60.24 C ATOM 686 O ARG A 44 -1.880 5.330 6.057 1.00 21.13 O ATOM 687 CB ARG A 44 -3.503 7.465 4.353 1.00 2.22 C ATOM 688 CG ARG A 44 -4.789 7.029 3.659 1.00 71.34 C ATOM 689 CD ARG A 44 -5.988 7.866 4.088 1.00 12.32 C ATOM 690 NE ARG A 44 -6.454 7.507 5.425 1.00 5.34 N ATOM 691 CZ ARG A 44 -7.148 8.294 6.201 1.00 3.52 C ATOM 692 NH1 ARG A 44 -7.380 9.523 5.868 1.00 22.05 N ATOM 693 NH2 ARG A 44 -7.595 7.851 7.331 1.00 2.15 N ATOM 0 H ARG A 44 -3.009 6.627 2.046 1.00 24.11 H new ATOM 0 HA ARG A 44 -1.375 7.132 4.282 1.00 2.14 H new ATOM 0 HB2 ARG A 44 -3.665 7.461 5.431 1.00 2.22 H new ATOM 0 HB3 ARG A 44 -3.280 8.493 4.068 1.00 2.22 H new ATOM 0 HG2 ARG A 44 -4.661 7.107 2.579 1.00 71.34 H new ATOM 0 HG3 ARG A 44 -4.982 5.980 3.882 1.00 71.34 H new ATOM 0 HD2 ARG A 44 -5.719 8.922 4.069 1.00 12.32 H new ATOM 0 HD3 ARG A 44 -6.799 7.731 3.373 1.00 12.32 H new ATOM 0 HE ARG A 44 -6.221 6.578 5.776 1.00 5.34 H new ATOM 0 HH11 ARG A 44 -7.019 9.890 4.988 1.00 22.05 H new ATOM 0 HH12 ARG A 44 -7.924 10.125 6.486 1.00 22.05 H new ATOM 0 HH21 ARG A 44 -7.405 6.889 7.613 1.00 2.15 H new ATOM 0 HH22 ARG A 44 -8.138 8.463 7.940 1.00 2.15 H new ATOM 707 N ILE A 45 -2.749 4.187 4.327 1.00 0.34 N ATOM 708 CA ILE A 45 -2.742 2.904 5.043 1.00 13.21 C ATOM 709 C ILE A 45 -1.305 2.424 5.318 1.00 44.03 C ATOM 710 O ILE A 45 -0.998 1.926 6.403 1.00 63.35 O ATOM 711 CB ILE A 45 -3.506 1.808 4.255 1.00 14.03 C ATOM 712 CG1 ILE A 45 -4.974 2.222 4.041 1.00 42.23 C ATOM 713 CG2 ILE A 45 -3.424 0.463 4.980 1.00 64.01 C ATOM 714 CD1 ILE A 45 -5.791 1.212 3.260 1.00 42.33 C ATOM 0 H ILE A 45 -3.126 4.140 3.380 1.00 0.34 H new ATOM 0 HA ILE A 45 -3.249 3.073 5.993 1.00 13.21 H new ATOM 0 HB ILE A 45 -3.035 1.696 3.279 1.00 14.03 H new ATOM 0 HG12 ILE A 45 -5.442 2.379 5.013 1.00 42.23 H new ATOM 0 HG13 ILE A 45 -4.999 3.177 3.517 1.00 42.23 H new ATOM 0 HG21 ILE A 45 -3.967 -0.291 4.410 1.00 64.01 H new ATOM 0 HG22 ILE A 45 -2.380 0.164 5.076 1.00 64.01 H new ATOM 0 HG23 ILE A 45 -3.867 0.557 5.972 1.00 64.01 H new ATOM 0 HD11 ILE A 45 -6.813 1.576 3.152 1.00 42.33 H new ATOM 0 HD12 ILE A 45 -5.349 1.072 2.273 1.00 42.33 H new ATOM 0 HD13 ILE A 45 -5.799 0.261 3.793 1.00 42.33 H new ATOM 726 N ILE A 46 -0.425 2.581 4.328 1.00 30.43 N ATOM 727 CA ILE A 46 0.979 2.168 4.472 1.00 43.44 C ATOM 728 C ILE A 46 1.883 3.336 4.925 1.00 22.15 C ATOM 729 O ILE A 46 2.626 3.200 5.892 1.00 15.13 O ATOM 730 CB ILE A 46 1.526 1.538 3.160 1.00 54.42 C ATOM 731 CG1 ILE A 46 1.269 2.460 1.954 1.00 50.10 C ATOM 732 CG2 ILE A 46 0.900 0.160 2.931 1.00 4.11 C ATOM 733 CD1 ILE A 46 1.704 1.879 0.624 1.00 25.44 C ATOM 0 H ILE A 46 -0.654 2.988 3.421 1.00 30.43 H new ATOM 0 HA ILE A 46 1.000 1.408 5.253 1.00 43.44 H new ATOM 0 HB ILE A 46 2.604 1.417 3.264 1.00 54.42 H new ATOM 0 HG12 ILE A 46 0.204 2.689 1.907 1.00 50.10 H new ATOM 0 HG13 ILE A 46 1.792 3.403 2.114 1.00 50.10 H new ATOM 0 HG21 ILE A 46 1.292 -0.269 2.009 1.00 4.11 H new ATOM 0 HG22 ILE A 46 1.144 -0.494 3.768 1.00 4.11 H new ATOM 0 HG23 ILE A 46 -0.183 0.261 2.853 1.00 4.11 H new ATOM 0 HD11 ILE A 46 1.488 2.591 -0.172 1.00 25.44 H new ATOM 0 HD12 ILE A 46 2.775 1.676 0.648 1.00 25.44 H new ATOM 0 HD13 ILE A 46 1.163 0.951 0.438 1.00 25.44 H new ATOM 745 N LEU A 47 1.798 4.475 4.238 1.00 43.02 N ATOM 746 CA LEU A 47 2.585 5.680 4.568 1.00 53.50 C ATOM 747 C LEU A 47 2.567 5.993 6.078 1.00 3.01 C ATOM 748 O LEU A 47 3.595 5.915 6.753 1.00 73.45 O ATOM 749 CB LEU A 47 2.030 6.881 3.780 1.00 0.33 C ATOM 750 CG LEU A 47 2.658 8.251 4.095 1.00 22.33 C ATOM 751 CD1 LEU A 47 4.125 8.286 3.682 1.00 10.44 C ATOM 752 CD2 LEU A 47 1.874 9.374 3.414 1.00 50.33 C ATOM 0 H LEU A 47 1.182 4.596 3.434 1.00 43.02 H new ATOM 0 HA LEU A 47 3.621 5.489 4.289 1.00 53.50 H new ATOM 0 HB2 LEU A 47 2.159 6.682 2.716 1.00 0.33 H new ATOM 0 HB3 LEU A 47 0.958 6.945 3.964 1.00 0.33 H new ATOM 0 HG LEU A 47 2.609 8.406 5.173 1.00 22.33 H new ATOM 0 HD11 LEU A 47 4.545 9.264 3.915 1.00 10.44 H new ATOM 0 HD12 LEU A 47 4.674 7.516 4.225 1.00 10.44 H new ATOM 0 HD13 LEU A 47 4.206 8.102 2.611 1.00 10.44 H new ATOM 0 HD21 LEU A 47 2.334 10.334 3.649 1.00 50.33 H new ATOM 0 HD22 LEU A 47 1.884 9.222 2.335 1.00 50.33 H new ATOM 0 HD23 LEU A 47 0.844 9.368 3.772 1.00 50.33 H new ATOM 764 N ASN A 48 1.386 6.314 6.606 1.00 14.23 N ATOM 765 CA ASN A 48 1.235 6.675 8.027 1.00 43.20 C ATOM 766 C ASN A 48 1.595 5.507 8.963 1.00 74.31 C ATOM 767 O ASN A 48 1.742 5.691 10.174 1.00 22.11 O ATOM 768 CB ASN A 48 -0.197 7.154 8.300 1.00 63.14 C ATOM 769 CG ASN A 48 -0.536 8.408 7.513 1.00 35.24 C ATOM 770 OD1 ASN A 48 -1.018 8.342 6.389 1.00 52.14 O ATOM 771 ND2 ASN A 48 -0.285 9.562 8.092 1.00 34.21 N ATOM 0 H ASN A 48 0.515 6.333 6.075 1.00 14.23 H new ATOM 0 HA ASN A 48 1.934 7.485 8.236 1.00 43.20 H new ATOM 0 HB2 ASN A 48 -0.900 6.362 8.041 1.00 63.14 H new ATOM 0 HB3 ASN A 48 -0.317 7.351 9.365 1.00 63.14 H new ATOM 0 HD21 ASN A 48 -0.492 10.433 7.604 1.00 34.21 H new ATOM 0 HD22 ASN A 48 0.117 9.586 9.029 1.00 34.21 H new ATOM 778 N HIS A 49 1.740 4.312 8.393 1.00 24.25 N ATOM 779 CA HIS A 49 2.138 3.124 9.152 1.00 72.31 C ATOM 780 C HIS A 49 3.673 2.963 9.159 1.00 4.44 C ATOM 781 O HIS A 49 4.266 2.569 10.164 1.00 71.54 O ATOM 782 CB HIS A 49 1.471 1.881 8.544 1.00 13.33 C ATOM 783 CG HIS A 49 1.591 0.637 9.376 1.00 31.33 C ATOM 784 ND1 HIS A 49 0.568 0.171 10.172 1.00 72.22 N ATOM 785 CD2 HIS A 49 2.606 -0.250 9.522 1.00 14.42 C ATOM 786 CE1 HIS A 49 0.944 -0.941 10.768 1.00 11.31 C ATOM 787 NE2 HIS A 49 2.176 -1.222 10.394 1.00 23.11 N ATOM 0 H HIS A 49 1.587 4.139 7.400 1.00 24.25 H new ATOM 0 HA HIS A 49 1.810 3.240 10.185 1.00 72.31 H new ATOM 0 HB2 HIS A 49 0.414 2.094 8.383 1.00 13.33 H new ATOM 0 HB3 HIS A 49 1.911 1.691 7.565 1.00 13.33 H new ATOM 0 HD2 HIS A 49 3.573 -0.202 9.042 1.00 14.42 H new ATOM 0 HE1 HIS A 49 0.343 -1.525 11.449 1.00 11.31 H new ATOM 0 HE2 HIS A 49 2.721 -2.028 10.701 1.00 23.11 H new ATOM 796 N LEU A 50 4.310 3.274 8.030 1.00 71.22 N ATOM 797 CA LEU A 50 5.769 3.144 7.898 1.00 23.41 C ATOM 798 C LEU A 50 6.511 4.324 8.546 1.00 50.43 C ATOM 799 O LEU A 50 7.539 4.132 9.200 1.00 13.13 O ATOM 800 CB LEU A 50 6.172 3.003 6.417 1.00 50.30 C ATOM 801 CG LEU A 50 6.129 1.571 5.843 1.00 43.01 C ATOM 802 CD1 LEU A 50 7.122 0.668 6.573 1.00 33.14 C ATOM 803 CD2 LEU A 50 4.720 0.988 5.912 1.00 3.25 C ATOM 0 H LEU A 50 3.842 3.618 7.191 1.00 71.22 H new ATOM 0 HA LEU A 50 6.062 2.239 8.430 1.00 23.41 H new ATOM 0 HB2 LEU A 50 5.514 3.634 5.819 1.00 50.30 H new ATOM 0 HB3 LEU A 50 7.183 3.392 6.296 1.00 50.30 H new ATOM 0 HG LEU A 50 6.417 1.624 4.793 1.00 43.01 H new ATOM 0 HD11 LEU A 50 7.076 -0.337 6.154 1.00 33.14 H new ATOM 0 HD12 LEU A 50 8.130 1.065 6.454 1.00 33.14 H new ATOM 0 HD13 LEU A 50 6.869 0.631 7.633 1.00 33.14 H new ATOM 0 HD21 LEU A 50 4.723 -0.021 5.500 1.00 3.25 H new ATOM 0 HD22 LEU A 50 4.390 0.955 6.950 1.00 3.25 H new ATOM 0 HD23 LEU A 50 4.039 1.613 5.335 1.00 3.25 H new ATOM 815 N GLU A 51 5.999 5.544 8.373 1.00 21.02 N ATOM 816 CA GLU A 51 6.623 6.726 8.991 1.00 51.22 C ATOM 817 C GLU A 51 6.390 6.766 10.511 1.00 34.33 C ATOM 818 O GLU A 51 7.045 7.527 11.225 1.00 41.41 O ATOM 819 CB GLU A 51 6.106 8.030 8.367 1.00 74.33 C ATOM 820 CG GLU A 51 4.621 8.291 8.605 1.00 10.02 C ATOM 821 CD GLU A 51 4.262 9.764 8.490 1.00 53.52 C ATOM 822 OE1 GLU A 51 4.363 10.322 7.379 1.00 74.42 O ATOM 823 OE2 GLU A 51 3.882 10.367 9.518 1.00 74.12 O ATOM 0 H GLU A 51 5.166 5.743 7.819 1.00 21.02 H new ATOM 0 HA GLU A 51 7.693 6.641 8.801 1.00 51.22 H new ATOM 0 HB2 GLU A 51 6.679 8.865 8.770 1.00 74.33 H new ATOM 0 HB3 GLU A 51 6.292 8.005 7.293 1.00 74.33 H new ATOM 0 HG2 GLU A 51 4.035 7.720 7.884 1.00 10.02 H new ATOM 0 HG3 GLU A 51 4.346 7.930 9.596 1.00 10.02 H new ATOM 830 N ASP A 52 5.442 5.970 11.006 1.00 34.53 N ATOM 831 CA ASP A 52 5.172 5.908 12.443 1.00 74.05 C ATOM 832 C ASP A 52 6.147 4.939 13.136 1.00 15.32 C ATOM 833 O ASP A 52 7.184 5.357 13.653 1.00 15.13 O ATOM 834 CB ASP A 52 3.718 5.487 12.700 1.00 24.21 C ATOM 835 CG ASP A 52 3.308 5.665 14.154 1.00 24.01 C ATOM 836 OD1 ASP A 52 3.681 4.821 14.995 1.00 51.15 O ATOM 837 OD2 ASP A 52 2.620 6.659 14.464 1.00 75.13 O ATOM 0 H ASP A 52 4.852 5.363 10.438 1.00 34.53 H new ATOM 0 HA ASP A 52 5.321 6.902 12.864 1.00 74.05 H new ATOM 0 HB2 ASP A 52 3.055 6.075 12.065 1.00 24.21 H new ATOM 0 HB3 ASP A 52 3.590 4.443 12.415 1.00 24.21 H new ATOM 842 N GLU A 53 5.806 3.647 13.120 1.00 63.21 N ATOM 843 CA GLU A 53 6.638 2.597 13.726 1.00 51.10 C ATOM 844 C GLU A 53 5.966 1.227 13.562 1.00 71.04 C ATOM 845 O GLU A 53 5.015 1.073 12.784 1.00 30.45 O ATOM 846 CB GLU A 53 6.893 2.892 15.220 1.00 70.22 C ATOM 847 CG GLU A 53 7.999 2.049 15.860 1.00 1.01 C ATOM 848 CD GLU A 53 7.581 0.618 16.167 1.00 73.05 C ATOM 849 OE1 GLU A 53 6.952 0.394 17.221 1.00 61.34 O ATOM 850 OE2 GLU A 53 7.885 -0.289 15.367 1.00 23.13 O ATOM 0 H GLU A 53 4.950 3.298 12.689 1.00 63.21 H new ATOM 0 HA GLU A 53 7.599 2.583 13.212 1.00 51.10 H new ATOM 0 HB2 GLU A 53 7.149 3.946 15.329 1.00 70.22 H new ATOM 0 HB3 GLU A 53 5.967 2.730 15.771 1.00 70.22 H new ATOM 0 HG2 GLU A 53 8.861 2.031 15.193 1.00 1.01 H new ATOM 0 HG3 GLU A 53 8.321 2.530 16.784 1.00 1.01 H new TER 857 GLU A 53 ATOM 858 N MET B 201 -24.247 -15.201 -7.985 1.00 44.22 N ATOM 859 CA MET B 201 -23.457 -15.990 -7.037 1.00 20.43 C ATOM 860 C MET B 201 -23.987 -15.836 -5.597 1.00 5.23 C ATOM 861 O MET B 201 -24.625 -14.839 -5.258 1.00 65.11 O ATOM 862 CB MET B 201 -21.978 -15.572 -7.104 1.00 72.30 C ATOM 863 CG MET B 201 -21.050 -16.448 -6.267 1.00 73.45 C ATOM 864 SD MET B 201 -19.384 -15.772 -6.116 1.00 13.12 S ATOM 865 CE MET B 201 -18.879 -15.689 -7.835 1.00 14.03 C ATOM 0 HA MET B 201 -23.547 -17.040 -7.317 1.00 20.43 H new ATOM 0 HB2 MET B 201 -21.649 -15.600 -8.143 1.00 72.30 H new ATOM 0 HB3 MET B 201 -21.887 -14.539 -6.769 1.00 72.30 H new ATOM 0 HG2 MET B 201 -21.477 -16.572 -5.272 1.00 73.45 H new ATOM 0 HG3 MET B 201 -20.994 -17.440 -6.716 1.00 73.45 H new ATOM 0 HE1 MET B 201 -17.811 -15.478 -7.891 1.00 14.03 H new ATOM 0 HE2 MET B 201 -19.086 -16.642 -8.322 1.00 14.03 H new ATOM 0 HE3 MET B 201 -19.432 -14.896 -8.339 1.00 14.03 H new ATOM 875 N VAL B 202 -23.722 -16.836 -4.757 1.00 55.40 N ATOM 876 CA VAL B 202 -24.146 -16.813 -3.347 1.00 21.33 C ATOM 877 C VAL B 202 -23.343 -15.800 -2.499 1.00 74.52 C ATOM 878 O VAL B 202 -23.729 -15.479 -1.372 1.00 34.42 O ATOM 879 CB VAL B 202 -24.013 -18.221 -2.710 1.00 1.53 C ATOM 880 CG1 VAL B 202 -24.967 -19.212 -3.375 1.00 22.03 C ATOM 881 CG2 VAL B 202 -22.569 -18.716 -2.799 1.00 60.25 C ATOM 0 H VAL B 202 -23.213 -17.679 -5.025 1.00 55.40 H new ATOM 0 HA VAL B 202 -25.190 -16.500 -3.349 1.00 21.33 H new ATOM 0 HB VAL B 202 -24.286 -18.146 -1.657 1.00 1.53 H new ATOM 0 HG11 VAL B 202 -24.855 -20.192 -2.911 1.00 22.03 H new ATOM 0 HG12 VAL B 202 -25.994 -18.867 -3.252 1.00 22.03 H new ATOM 0 HG13 VAL B 202 -24.734 -19.285 -4.437 1.00 22.03 H new ATOM 0 HG21 VAL B 202 -22.495 -19.705 -2.347 1.00 60.25 H new ATOM 0 HG22 VAL B 202 -22.267 -18.771 -3.845 1.00 60.25 H new ATOM 0 HG23 VAL B 202 -21.914 -18.025 -2.268 1.00 60.25 H new ATOM 891 N GLY B 203 -22.229 -15.305 -3.044 1.00 61.14 N ATOM 892 CA GLY B 203 -21.384 -14.363 -2.309 1.00 34.54 C ATOM 893 C GLY B 203 -20.634 -15.012 -1.146 1.00 63.23 C ATOM 894 O GLY B 203 -21.172 -15.139 -0.047 1.00 72.43 O ATOM 0 H GLY B 203 -21.895 -15.537 -3.979 1.00 61.14 H new ATOM 0 HA2 GLY B 203 -20.663 -13.919 -2.995 1.00 34.54 H new ATOM 0 HA3 GLY B 203 -22.003 -13.551 -1.927 1.00 34.54 H new ATOM 898 N ARG B 204 -19.389 -15.423 -1.385 1.00 10.42 N ATOM 899 CA ARG B 204 -18.574 -16.090 -0.357 1.00 21.33 C ATOM 900 C ARG B 204 -17.288 -15.303 -0.054 1.00 21.12 C ATOM 901 O ARG B 204 -17.074 -14.203 -0.569 1.00 21.23 O ATOM 902 CB ARG B 204 -18.210 -17.516 -0.808 1.00 35.44 C ATOM 903 CG ARG B 204 -19.408 -18.440 -0.998 1.00 24.41 C ATOM 904 CD ARG B 204 -20.194 -18.645 0.296 1.00 3.22 C ATOM 905 NE ARG B 204 -21.311 -19.566 0.103 1.00 44.13 N ATOM 906 CZ ARG B 204 -22.399 -19.572 0.823 1.00 64.32 C ATOM 907 NH1 ARG B 204 -22.549 -18.744 1.803 1.00 32.30 N ATOM 908 NH2 ARG B 204 -23.340 -20.418 0.559 1.00 73.22 N ATOM 0 H ARG B 204 -18.917 -15.308 -2.282 1.00 10.42 H new ATOM 0 HA ARG B 204 -19.170 -16.134 0.555 1.00 21.33 H new ATOM 0 HB2 ARG B 204 -17.659 -17.458 -1.746 1.00 35.44 H new ATOM 0 HB3 ARG B 204 -17.539 -17.957 -0.071 1.00 35.44 H new ATOM 0 HG2 ARG B 204 -20.068 -18.024 -1.759 1.00 24.41 H new ATOM 0 HG3 ARG B 204 -19.064 -19.406 -1.368 1.00 24.41 H new ATOM 0 HD2 ARG B 204 -19.530 -19.033 1.069 1.00 3.22 H new ATOM 0 HD3 ARG B 204 -20.569 -17.685 0.651 1.00 3.22 H new ATOM 0 HE ARG B 204 -21.235 -20.253 -0.647 1.00 44.13 H new ATOM 0 HH11 ARG B 204 -21.812 -18.074 2.022 1.00 32.30 H new ATOM 0 HH12 ARG B 204 -23.405 -18.760 2.358 1.00 32.30 H new ATOM 0 HH21 ARG B 204 -23.231 -21.079 -0.210 1.00 73.22 H new ATOM 0 HH22 ARG B 204 -24.192 -20.425 1.120 1.00 73.22 H new ATOM 922 N ARG B 205 -16.439 -15.889 0.787 1.00 51.30 N ATOM 923 CA ARG B 205 -15.146 -15.301 1.149 1.00 55.40 C ATOM 924 C ARG B 205 -14.016 -15.848 0.253 1.00 42.34 C ATOM 925 O ARG B 205 -13.921 -17.056 0.029 1.00 30.12 O ATOM 926 CB ARG B 205 -14.842 -15.609 2.621 1.00 70.10 C ATOM 927 CG ARG B 205 -15.721 -14.845 3.610 1.00 41.11 C ATOM 928 CD ARG B 205 -15.247 -13.405 3.786 1.00 42.34 C ATOM 929 NE ARG B 205 -13.903 -13.353 4.355 1.00 75.00 N ATOM 930 CZ ARG B 205 -13.330 -12.273 4.812 1.00 32.25 C ATOM 931 NH1 ARG B 205 -13.905 -11.114 4.706 1.00 43.44 N ATOM 932 NH2 ARG B 205 -12.157 -12.356 5.345 1.00 75.11 N ATOM 0 H ARG B 205 -16.625 -16.785 1.238 1.00 51.30 H new ATOM 0 HA ARG B 205 -15.201 -14.223 1.001 1.00 55.40 H new ATOM 0 HB2 ARG B 205 -14.966 -16.678 2.791 1.00 70.10 H new ATOM 0 HB3 ARG B 205 -13.797 -15.374 2.822 1.00 70.10 H new ATOM 0 HG2 ARG B 205 -16.753 -14.849 3.259 1.00 41.11 H new ATOM 0 HG3 ARG B 205 -15.711 -15.353 4.575 1.00 41.11 H new ATOM 0 HD2 ARG B 205 -15.256 -12.897 2.822 1.00 42.34 H new ATOM 0 HD3 ARG B 205 -15.940 -12.869 4.435 1.00 42.34 H new ATOM 0 HE ARG B 205 -13.374 -14.224 4.398 1.00 75.00 H new ATOM 0 HH11 ARG B 205 -14.819 -11.037 4.260 1.00 43.44 H new ATOM 0 HH12 ARG B 205 -13.443 -10.280 5.069 1.00 43.44 H new ATOM 0 HH21 ARG B 205 -11.687 -13.259 5.406 1.00 75.11 H new ATOM 0 HH22 ARG B 205 -11.700 -11.518 5.705 1.00 75.11 H new ATOM 946 N PRO B 206 -13.151 -14.964 -0.284 1.00 0.22 N ATOM 947 CA PRO B 206 -12.012 -15.377 -1.122 1.00 34.24 C ATOM 948 C PRO B 206 -10.796 -15.844 -0.293 1.00 42.22 C ATOM 949 O PRO B 206 -10.289 -15.106 0.553 1.00 53.23 O ATOM 950 CB PRO B 206 -11.691 -14.095 -1.901 1.00 41.51 C ATOM 951 CG PRO B 206 -12.076 -12.981 -0.980 1.00 31.53 C ATOM 952 CD PRO B 206 -13.216 -13.494 -0.127 1.00 4.04 C ATOM 0 HA PRO B 206 -12.248 -16.235 -1.752 1.00 34.24 H new ATOM 0 HB2 PRO B 206 -10.634 -14.045 -2.162 1.00 41.51 H new ATOM 0 HB3 PRO B 206 -12.252 -14.048 -2.834 1.00 41.51 H new ATOM 0 HG2 PRO B 206 -11.231 -12.684 -0.358 1.00 31.53 H new ATOM 0 HG3 PRO B 206 -12.382 -12.100 -1.545 1.00 31.53 H new ATOM 0 HD2 PRO B 206 -13.098 -13.199 0.916 1.00 4.04 H new ATOM 0 HD3 PRO B 206 -14.175 -13.099 -0.463 1.00 4.04 H new ATOM 960 N GLY B 207 -10.343 -17.075 -0.536 1.00 50.52 N ATOM 961 CA GLY B 207 -9.187 -17.613 0.184 1.00 10.14 C ATOM 962 C GLY B 207 -7.858 -17.293 -0.494 1.00 74.11 C ATOM 963 O GLY B 207 -7.803 -17.131 -1.711 1.00 53.12 O ATOM 0 H GLY B 207 -10.753 -17.713 -1.218 1.00 50.52 H new ATOM 0 HA2 GLY B 207 -9.178 -17.210 1.197 1.00 10.14 H new ATOM 0 HA3 GLY B 207 -9.292 -18.694 0.272 1.00 10.14 H new ATOM 967 N GLY B 208 -6.782 -17.220 0.295 1.00 61.43 N ATOM 968 CA GLY B 208 -5.466 -16.859 -0.233 1.00 5.11 C ATOM 969 C GLY B 208 -5.000 -17.738 -1.394 1.00 51.12 C ATOM 970 O GLY B 208 -4.854 -18.953 -1.245 1.00 11.44 O ATOM 0 H GLY B 208 -6.797 -17.406 1.298 1.00 61.43 H new ATOM 0 HA2 GLY B 208 -5.491 -15.821 -0.564 1.00 5.11 H new ATOM 0 HA3 GLY B 208 -4.734 -16.920 0.572 1.00 5.11 H new ATOM 974 N GLY B 209 -4.747 -17.119 -2.545 1.00 5.22 N ATOM 975 CA GLY B 209 -4.318 -17.859 -3.727 1.00 42.51 C ATOM 976 C GLY B 209 -3.816 -16.955 -4.855 1.00 13.30 C ATOM 977 O GLY B 209 -3.042 -16.023 -4.617 1.00 1.32 O ATOM 0 H GLY B 209 -4.831 -16.112 -2.683 1.00 5.22 H new ATOM 0 HA2 GLY B 209 -3.525 -18.552 -3.446 1.00 42.51 H new ATOM 0 HA3 GLY B 209 -5.151 -18.459 -4.094 1.00 42.51 H new ATOM 981 N LEU B 210 -4.256 -17.230 -6.083 1.00 32.04 N ATOM 982 CA LEU B 210 -3.806 -16.477 -7.264 1.00 41.50 C ATOM 983 C LEU B 210 -4.895 -15.520 -7.786 1.00 52.13 C ATOM 984 O LEU B 210 -4.616 -14.372 -8.138 1.00 21.04 O ATOM 985 CB LEU B 210 -3.398 -17.452 -8.378 1.00 63.21 C ATOM 986 CG LEU B 210 -2.342 -18.500 -7.985 1.00 30.52 C ATOM 987 CD1 LEU B 210 -1.987 -19.383 -9.179 1.00 34.04 C ATOM 988 CD2 LEU B 210 -1.093 -17.827 -7.418 1.00 1.33 C ATOM 0 H LEU B 210 -4.926 -17.970 -6.291 1.00 32.04 H new ATOM 0 HA LEU B 210 -2.949 -15.874 -6.964 1.00 41.50 H new ATOM 0 HB2 LEU B 210 -4.290 -17.973 -8.726 1.00 63.21 H new ATOM 0 HB3 LEU B 210 -3.017 -16.875 -9.221 1.00 63.21 H new ATOM 0 HG LEU B 210 -2.767 -19.134 -7.207 1.00 30.52 H new ATOM 0 HD11 LEU B 210 -1.239 -20.117 -8.879 1.00 34.04 H new ATOM 0 HD12 LEU B 210 -2.881 -19.899 -9.529 1.00 34.04 H new ATOM 0 HD13 LEU B 210 -1.587 -18.765 -9.983 1.00 34.04 H new ATOM 0 HD21 LEU B 210 -0.361 -18.588 -7.147 1.00 1.33 H new ATOM 0 HD22 LEU B 210 -0.665 -17.162 -8.169 1.00 1.33 H new ATOM 0 HD23 LEU B 210 -1.361 -17.250 -6.533 1.00 1.33 H new ATOM 1000 N LYS B 211 -6.130 -16.014 -7.855 1.00 73.44 N ATOM 1001 CA LYS B 211 -7.278 -15.206 -8.304 1.00 53.23 C ATOM 1002 C LYS B 211 -8.152 -14.786 -7.111 1.00 62.42 C ATOM 1003 O LYS B 211 -9.370 -14.636 -7.228 1.00 34.43 O ATOM 1004 CB LYS B 211 -8.107 -15.993 -9.332 1.00 44.32 C ATOM 1005 CG LYS B 211 -8.576 -17.364 -8.847 1.00 61.21 C ATOM 1006 CD LYS B 211 -9.431 -18.100 -9.887 1.00 40.11 C ATOM 1007 CE LYS B 211 -8.665 -18.429 -11.173 1.00 71.44 C ATOM 1008 NZ LYS B 211 -8.462 -17.237 -12.044 1.00 4.53 N ATOM 0 H LYS B 211 -6.369 -16.974 -7.606 1.00 73.44 H new ATOM 0 HA LYS B 211 -6.900 -14.300 -8.778 1.00 53.23 H new ATOM 0 HB2 LYS B 211 -8.979 -15.400 -9.608 1.00 44.32 H new ATOM 0 HB3 LYS B 211 -7.513 -16.125 -10.236 1.00 44.32 H new ATOM 0 HG2 LYS B 211 -7.707 -17.974 -8.600 1.00 61.21 H new ATOM 0 HG3 LYS B 211 -9.152 -17.243 -7.930 1.00 61.21 H new ATOM 0 HD2 LYS B 211 -9.808 -19.024 -9.450 1.00 40.11 H new ATOM 0 HD3 LYS B 211 -10.298 -17.488 -10.135 1.00 40.11 H new ATOM 0 HE2 LYS B 211 -7.695 -18.854 -10.914 1.00 71.44 H new ATOM 0 HE3 LYS B 211 -9.209 -19.192 -11.730 1.00 71.44 H new ATOM 0 HZ1 LYS B 211 -8.742 -17.467 -13.019 1.00 4.53 H new ATOM 0 HZ2 LYS B 211 -9.043 -16.448 -11.694 1.00 4.53 H new ATOM 0 HZ3 LYS B 211 -7.459 -16.962 -12.028 1.00 4.53 H new ATOM 1022 N ASP B 212 -7.501 -14.566 -5.976 1.00 3.21 N ATOM 1023 CA ASP B 212 -8.176 -14.246 -4.715 1.00 40.51 C ATOM 1024 C ASP B 212 -8.347 -12.732 -4.509 1.00 44.42 C ATOM 1025 O ASP B 212 -9.243 -12.286 -3.792 1.00 73.54 O ATOM 1026 CB ASP B 212 -7.355 -14.826 -3.554 1.00 50.43 C ATOM 1027 CG ASP B 212 -5.945 -14.241 -3.464 1.00 62.11 C ATOM 1028 OD1 ASP B 212 -5.407 -13.774 -4.496 1.00 62.44 O ATOM 1029 OD2 ASP B 212 -5.362 -14.248 -2.359 1.00 25.15 O ATOM 0 H ASP B 212 -6.485 -14.604 -5.899 1.00 3.21 H new ATOM 0 HA ASP B 212 -9.173 -14.685 -4.748 1.00 40.51 H new ATOM 0 HB2 ASP B 212 -7.880 -14.639 -2.617 1.00 50.43 H new ATOM 0 HB3 ASP B 212 -7.286 -15.908 -3.670 1.00 50.43 H new ATOM 1034 N THR B 213 -7.476 -11.950 -5.141 1.00 30.24 N ATOM 1035 CA THR B 213 -7.379 -10.508 -4.875 1.00 12.32 C ATOM 1036 C THR B 213 -7.351 -9.664 -6.159 1.00 62.20 C ATOM 1037 O THR B 213 -6.958 -10.138 -7.227 1.00 55.20 O ATOM 1038 CB THR B 213 -6.107 -10.198 -4.049 1.00 71.13 C ATOM 1039 OG1 THR B 213 -4.959 -10.807 -4.665 1.00 2.13 O ATOM 1040 CG2 THR B 213 -6.229 -10.704 -2.616 1.00 4.50 C ATOM 0 H THR B 213 -6.821 -12.288 -5.846 1.00 30.24 H new ATOM 0 HA THR B 213 -8.275 -10.240 -4.316 1.00 12.32 H new ATOM 0 HB THR B 213 -5.990 -9.115 -4.024 1.00 71.13 H new ATOM 0 HG1 THR B 213 -5.188 -11.091 -5.574 1.00 2.13 H new ATOM 0 HG21 THR B 213 -5.317 -10.468 -2.068 1.00 4.50 H new ATOM 0 HG22 THR B 213 -7.079 -10.223 -2.131 1.00 4.50 H new ATOM 0 HG23 THR B 213 -6.379 -11.784 -2.623 1.00 4.50 H new ATOM 1048 N LYS B 214 -7.774 -8.405 -6.039 1.00 0.13 N ATOM 1049 CA LYS B 214 -7.731 -7.452 -7.157 1.00 25.12 C ATOM 1050 C LYS B 214 -6.428 -6.632 -7.130 1.00 13.54 C ATOM 1051 O LYS B 214 -6.023 -6.134 -6.075 1.00 41.05 O ATOM 1052 CB LYS B 214 -8.936 -6.499 -7.092 1.00 4.15 C ATOM 1053 CG LYS B 214 -10.295 -7.183 -7.252 1.00 21.35 C ATOM 1054 CD LYS B 214 -10.483 -7.767 -8.651 1.00 21.24 C ATOM 1055 CE LYS B 214 -11.863 -8.399 -8.824 1.00 30.10 C ATOM 1056 NZ LYS B 214 -12.966 -7.407 -8.676 1.00 23.12 N ATOM 0 H LYS B 214 -8.153 -8.017 -5.175 1.00 0.13 H new ATOM 0 HA LYS B 214 -7.769 -8.022 -8.085 1.00 25.12 H new ATOM 0 HB2 LYS B 214 -8.917 -5.975 -6.136 1.00 4.15 H new ATOM 0 HB3 LYS B 214 -8.829 -5.745 -7.871 1.00 4.15 H new ATOM 0 HG2 LYS B 214 -10.390 -7.978 -6.512 1.00 21.35 H new ATOM 0 HG3 LYS B 214 -11.089 -6.463 -7.050 1.00 21.35 H new ATOM 0 HD2 LYS B 214 -10.348 -6.981 -9.394 1.00 21.24 H new ATOM 0 HD3 LYS B 214 -9.714 -8.517 -8.838 1.00 21.24 H new ATOM 0 HE2 LYS B 214 -11.926 -8.864 -9.808 1.00 30.10 H new ATOM 0 HE3 LYS B 214 -11.991 -9.193 -8.088 1.00 30.10 H new ATOM 0 HZ1 LYS B 214 -13.859 -7.831 -8.998 1.00 23.12 H new ATOM 0 HZ2 LYS B 214 -13.054 -7.132 -7.677 1.00 23.12 H new ATOM 0 HZ3 LYS B 214 -12.755 -6.565 -9.249 1.00 23.12 H new ATOM 1070 N PRO B 215 -5.745 -6.492 -8.285 1.00 10.15 N ATOM 1071 CA PRO B 215 -4.518 -5.689 -8.389 1.00 73.42 C ATOM 1072 C PRO B 215 -4.795 -4.184 -8.583 1.00 64.42 C ATOM 1073 O PRO B 215 -5.349 -3.765 -9.602 1.00 75.04 O ATOM 1074 CB PRO B 215 -3.834 -6.289 -9.622 1.00 44.35 C ATOM 1075 CG PRO B 215 -4.960 -6.739 -10.498 1.00 63.23 C ATOM 1076 CD PRO B 215 -6.100 -7.119 -9.578 1.00 1.31 C ATOM 0 HA PRO B 215 -3.918 -5.729 -7.480 1.00 73.42 H new ATOM 0 HB2 PRO B 215 -3.210 -5.552 -10.127 1.00 44.35 H new ATOM 0 HB3 PRO B 215 -3.186 -7.122 -9.350 1.00 44.35 H new ATOM 0 HG2 PRO B 215 -5.261 -5.944 -11.180 1.00 63.23 H new ATOM 0 HG3 PRO B 215 -4.658 -7.588 -11.111 1.00 63.23 H new ATOM 0 HD2 PRO B 215 -7.054 -6.748 -9.952 1.00 1.31 H new ATOM 0 HD3 PRO B 215 -6.193 -8.201 -9.484 1.00 1.31 H new ATOM 1084 N VAL B 216 -4.411 -3.378 -7.598 1.00 42.31 N ATOM 1085 CA VAL B 216 -4.577 -1.919 -7.669 1.00 43.33 C ATOM 1086 C VAL B 216 -3.223 -1.201 -7.534 1.00 24.41 C ATOM 1087 O VAL B 216 -2.342 -1.643 -6.794 1.00 23.52 O ATOM 1088 CB VAL B 216 -5.555 -1.411 -6.574 1.00 63.44 C ATOM 1089 CG1 VAL B 216 -5.052 -1.767 -5.175 1.00 35.34 C ATOM 1090 CG2 VAL B 216 -5.791 0.095 -6.703 1.00 4.24 C ATOM 0 H VAL B 216 -3.980 -3.707 -6.734 1.00 42.31 H new ATOM 0 HA VAL B 216 -5.000 -1.688 -8.647 1.00 43.33 H new ATOM 0 HB VAL B 216 -6.510 -1.915 -6.724 1.00 63.44 H new ATOM 0 HG11 VAL B 216 -5.757 -1.398 -4.430 1.00 35.34 H new ATOM 0 HG12 VAL B 216 -4.962 -2.850 -5.085 1.00 35.34 H new ATOM 0 HG13 VAL B 216 -4.078 -1.307 -5.011 1.00 35.34 H new ATOM 0 HG21 VAL B 216 -6.479 0.423 -5.924 1.00 4.24 H new ATOM 0 HG22 VAL B 216 -4.843 0.622 -6.596 1.00 4.24 H new ATOM 0 HG23 VAL B 216 -6.219 0.314 -7.681 1.00 4.24 H new ATOM 1100 N VAL B 217 -3.053 -0.099 -8.265 1.00 11.21 N ATOM 1101 CA VAL B 217 -1.802 0.671 -8.227 1.00 65.43 C ATOM 1102 C VAL B 217 -1.845 1.779 -7.157 1.00 33.31 C ATOM 1103 O VAL B 217 -2.845 2.480 -7.012 1.00 73.24 O ATOM 1104 CB VAL B 217 -1.488 1.300 -9.612 1.00 25.10 C ATOM 1105 CG1 VAL B 217 -2.596 2.258 -10.050 1.00 51.12 C ATOM 1106 CG2 VAL B 217 -0.130 2.003 -9.596 1.00 52.43 C ATOM 0 H VAL B 217 -3.762 0.283 -8.891 1.00 11.21 H new ATOM 0 HA VAL B 217 -1.010 -0.031 -7.966 1.00 65.43 H new ATOM 0 HB VAL B 217 -1.442 0.492 -10.342 1.00 25.10 H new ATOM 0 HG11 VAL B 217 -2.347 2.682 -11.023 1.00 51.12 H new ATOM 0 HG12 VAL B 217 -3.539 1.716 -10.121 1.00 51.12 H new ATOM 0 HG13 VAL B 217 -2.693 3.060 -9.319 1.00 51.12 H new ATOM 0 HG21 VAL B 217 0.067 2.435 -10.577 1.00 52.43 H new ATOM 0 HG22 VAL B 217 -0.138 2.794 -8.846 1.00 52.43 H new ATOM 0 HG23 VAL B 217 0.650 1.282 -9.354 1.00 52.43 H new ATOM 1116 N VAL B 218 -0.755 1.923 -6.409 1.00 43.21 N ATOM 1117 CA VAL B 218 -0.635 2.977 -5.393 1.00 3.41 C ATOM 1118 C VAL B 218 0.718 3.701 -5.505 1.00 42.13 C ATOM 1119 O VAL B 218 1.765 3.067 -5.614 1.00 34.45 O ATOM 1120 CB VAL B 218 -0.800 2.402 -3.960 1.00 55.34 C ATOM 1121 CG1 VAL B 218 0.207 1.283 -3.692 1.00 24.44 C ATOM 1122 CG2 VAL B 218 -0.671 3.509 -2.912 1.00 42.44 C ATOM 0 H VAL B 218 0.065 1.322 -6.484 1.00 43.21 H new ATOM 0 HA VAL B 218 -1.436 3.693 -5.577 1.00 3.41 H new ATOM 0 HB VAL B 218 -1.800 1.975 -3.886 1.00 55.34 H new ATOM 0 HG11 VAL B 218 0.066 0.901 -2.681 1.00 24.44 H new ATOM 0 HG12 VAL B 218 0.054 0.476 -4.409 1.00 24.44 H new ATOM 0 HG13 VAL B 218 1.220 1.673 -3.795 1.00 24.44 H new ATOM 0 HG21 VAL B 218 -0.790 3.083 -1.916 1.00 42.44 H new ATOM 0 HG22 VAL B 218 0.312 3.974 -2.993 1.00 42.44 H new ATOM 0 HG23 VAL B 218 -1.443 4.260 -3.080 1.00 42.44 H new ATOM 1132 N ARG B 219 0.690 5.031 -5.491 1.00 42.54 N ATOM 1133 CA ARG B 219 1.920 5.825 -5.581 1.00 42.53 C ATOM 1134 C ARG B 219 2.624 5.941 -4.215 1.00 34.10 C ATOM 1135 O ARG B 219 2.219 6.737 -3.361 1.00 22.12 O ATOM 1136 CB ARG B 219 1.624 7.227 -6.128 1.00 1.01 C ATOM 1137 CG ARG B 219 1.086 7.249 -7.554 1.00 52.35 C ATOM 1138 CD ARG B 219 0.970 8.681 -8.077 1.00 21.25 C ATOM 1139 NE ARG B 219 0.415 8.741 -9.428 1.00 15.31 N ATOM 1140 CZ ARG B 219 0.702 9.672 -10.300 1.00 71.44 C ATOM 1141 NH1 ARG B 219 1.597 10.573 -10.039 1.00 53.01 N ATOM 1142 NH2 ARG B 219 0.104 9.689 -11.446 1.00 3.40 N ATOM 0 H ARG B 219 -0.165 5.583 -5.419 1.00 42.54 H new ATOM 0 HA ARG B 219 2.588 5.305 -6.268 1.00 42.53 H new ATOM 0 HB2 ARG B 219 0.901 7.714 -5.473 1.00 1.01 H new ATOM 0 HB3 ARG B 219 2.538 7.819 -6.089 1.00 1.01 H new ATOM 0 HG2 ARG B 219 1.746 6.674 -8.204 1.00 52.35 H new ATOM 0 HG3 ARG B 219 0.109 6.767 -7.585 1.00 52.35 H new ATOM 0 HD2 ARG B 219 0.339 9.261 -7.403 1.00 21.25 H new ATOM 0 HD3 ARG B 219 1.955 9.147 -8.072 1.00 21.25 H new ATOM 0 HE ARG B 219 -0.238 8.010 -9.708 1.00 15.31 H new ATOM 0 HH11 ARG B 219 2.087 10.561 -9.144 1.00 53.01 H new ATOM 0 HH12 ARG B 219 1.811 11.294 -10.728 1.00 53.01 H new ATOM 0 HH21 ARG B 219 -0.591 8.977 -11.669 1.00 3.40 H new ATOM 0 HH22 ARG B 219 0.327 10.415 -12.127 1.00 3.40 H new ATOM 1156 N LEU B 220 3.675 5.147 -4.022 1.00 72.41 N ATOM 1157 CA LEU B 220 4.461 5.160 -2.778 1.00 30.55 C ATOM 1158 C LEU B 220 5.769 5.949 -2.975 1.00 52.22 C ATOM 1159 O LEU B 220 6.295 6.017 -4.086 1.00 40.32 O ATOM 1160 CB LEU B 220 4.767 3.714 -2.351 1.00 51.21 C ATOM 1161 CG LEU B 220 5.429 3.552 -0.973 1.00 50.22 C ATOM 1162 CD1 LEU B 220 4.509 4.070 0.129 1.00 40.22 C ATOM 1163 CD2 LEU B 220 5.804 2.092 -0.722 1.00 23.11 C ATOM 0 H LEU B 220 4.009 4.478 -4.716 1.00 72.41 H new ATOM 0 HA LEU B 220 3.883 5.651 -1.995 1.00 30.55 H new ATOM 0 HB2 LEU B 220 3.835 3.149 -2.355 1.00 51.21 H new ATOM 0 HB3 LEU B 220 5.417 3.263 -3.101 1.00 51.21 H new ATOM 0 HG LEU B 220 6.344 4.145 -0.961 1.00 50.22 H new ATOM 0 HD11 LEU B 220 4.995 3.947 1.097 1.00 40.22 H new ATOM 0 HD12 LEU B 220 4.298 5.126 -0.039 1.00 40.22 H new ATOM 0 HD13 LEU B 220 3.575 3.508 0.118 1.00 40.22 H new ATOM 0 HD21 LEU B 220 6.271 2.000 0.259 1.00 23.11 H new ATOM 0 HD22 LEU B 220 4.906 1.475 -0.756 1.00 23.11 H new ATOM 0 HD23 LEU B 220 6.503 1.759 -1.489 1.00 23.11 H new ATOM 1175 N TYR B 221 6.295 6.548 -1.908 1.00 34.34 N ATOM 1176 CA TYR B 221 7.524 7.343 -2.016 1.00 35.44 C ATOM 1177 C TYR B 221 8.754 6.451 -2.269 1.00 20.44 C ATOM 1178 O TYR B 221 8.947 5.434 -1.595 1.00 72.15 O ATOM 1179 CB TYR B 221 7.733 8.193 -0.753 1.00 72.11 C ATOM 1180 CG TYR B 221 6.725 9.320 -0.596 1.00 14.31 C ATOM 1181 CD1 TYR B 221 5.432 9.074 -0.138 1.00 42.44 C ATOM 1182 CD2 TYR B 221 7.066 10.633 -0.910 1.00 11.11 C ATOM 1183 CE1 TYR B 221 4.515 10.098 0.004 1.00 11.24 C ATOM 1184 CE2 TYR B 221 6.154 11.663 -0.769 1.00 74.42 C ATOM 1185 CZ TYR B 221 4.879 11.390 -0.314 1.00 64.34 C ATOM 1186 OH TYR B 221 3.968 12.416 -0.173 1.00 54.03 O ATOM 0 H TYR B 221 5.898 6.502 -0.969 1.00 34.34 H new ATOM 0 HA TYR B 221 7.410 8.008 -2.872 1.00 35.44 H new ATOM 0 HB2 TYR B 221 7.679 7.545 0.122 1.00 72.11 H new ATOM 0 HB3 TYR B 221 8.737 8.617 -0.774 1.00 72.11 H new ATOM 0 HD1 TYR B 221 5.141 8.064 0.111 1.00 42.44 H new ATOM 0 HD2 TYR B 221 8.061 10.851 -1.270 1.00 11.11 H new ATOM 0 HE1 TYR B 221 3.518 9.888 0.362 1.00 11.24 H new ATOM 0 HE2 TYR B 221 6.438 12.676 -1.014 1.00 74.42 H new ATOM 0 HH TYR B 221 4.385 13.262 -0.439 1.00 54.03 H new ATOM 1196 N PRO B 222 9.613 6.829 -3.243 1.00 44.41 N ATOM 1197 CA PRO B 222 10.808 6.043 -3.608 1.00 0.12 C ATOM 1198 C PRO B 222 11.725 5.763 -2.409 1.00 12.55 C ATOM 1199 O PRO B 222 12.288 4.677 -2.292 1.00 23.40 O ATOM 1200 CB PRO B 222 11.525 6.924 -4.652 1.00 51.41 C ATOM 1201 CG PRO B 222 10.904 8.277 -4.521 1.00 1.22 C ATOM 1202 CD PRO B 222 9.492 8.041 -4.069 1.00 74.33 C ATOM 0 HA PRO B 222 10.538 5.056 -3.985 1.00 0.12 H new ATOM 0 HB2 PRO B 222 12.598 6.964 -4.463 1.00 51.41 H new ATOM 0 HB3 PRO B 222 11.393 6.527 -5.659 1.00 51.41 H new ATOM 0 HG2 PRO B 222 11.448 8.888 -3.800 1.00 1.22 H new ATOM 0 HG3 PRO B 222 10.926 8.810 -5.471 1.00 1.22 H new ATOM 0 HD2 PRO B 222 9.104 8.884 -3.497 1.00 74.33 H new ATOM 0 HD3 PRO B 222 8.817 7.891 -4.912 1.00 74.33 H new ATOM 1210 N ASP B 223 11.865 6.748 -1.526 1.00 73.24 N ATOM 1211 CA ASP B 223 12.653 6.599 -0.299 1.00 64.23 C ATOM 1212 C ASP B 223 12.123 5.455 0.582 1.00 23.41 C ATOM 1213 O ASP B 223 12.898 4.663 1.124 1.00 52.14 O ATOM 1214 CB ASP B 223 12.636 7.918 0.475 1.00 12.24 C ATOM 1215 CG ASP B 223 13.262 9.048 -0.322 1.00 2.00 C ATOM 1216 OD1 ASP B 223 12.636 9.506 -1.304 1.00 72.34 O ATOM 1217 OD2 ASP B 223 14.389 9.469 0.020 1.00 2.14 O ATOM 0 H ASP B 223 11.439 7.668 -1.637 1.00 73.24 H new ATOM 0 HA ASP B 223 13.677 6.347 -0.576 1.00 64.23 H new ATOM 0 HB2 ASP B 223 11.608 8.178 0.728 1.00 12.24 H new ATOM 0 HB3 ASP B 223 13.174 7.795 1.415 1.00 12.24 H new ATOM 1222 N GLU B 224 10.799 5.364 0.714 1.00 41.21 N ATOM 1223 CA GLU B 224 10.174 4.292 1.495 1.00 54.03 C ATOM 1224 C GLU B 224 10.468 2.919 0.872 1.00 71.42 C ATOM 1225 O GLU B 224 10.807 1.967 1.570 1.00 25.25 O ATOM 1226 CB GLU B 224 8.658 4.521 1.604 1.00 22.24 C ATOM 1227 CG GLU B 224 8.291 5.856 2.249 1.00 4.11 C ATOM 1228 CD GLU B 224 6.788 6.055 2.394 1.00 61.33 C ATOM 1229 OE1 GLU B 224 6.135 6.411 1.388 1.00 22.42 O ATOM 1230 OE2 GLU B 224 6.265 5.871 3.516 1.00 74.03 O ATOM 0 H GLU B 224 10.139 6.017 0.292 1.00 41.21 H new ATOM 0 HA GLU B 224 10.600 4.308 2.498 1.00 54.03 H new ATOM 0 HB2 GLU B 224 8.218 4.474 0.608 1.00 22.24 H new ATOM 0 HB3 GLU B 224 8.217 3.712 2.185 1.00 22.24 H new ATOM 0 HG2 GLU B 224 8.756 5.918 3.233 1.00 4.11 H new ATOM 0 HG3 GLU B 224 8.703 6.668 1.650 1.00 4.11 H new ATOM 1237 N ILE B 225 10.357 2.836 -0.455 1.00 24.24 N ATOM 1238 CA ILE B 225 10.710 1.612 -1.194 1.00 11.41 C ATOM 1239 C ILE B 225 12.212 1.292 -1.050 1.00 14.04 C ATOM 1240 O ILE B 225 12.609 0.136 -0.868 1.00 32.12 O ATOM 1241 CB ILE B 225 10.368 1.756 -2.700 1.00 62.12 C ATOM 1242 CG1 ILE B 225 8.890 2.141 -2.881 1.00 42.45 C ATOM 1243 CG2 ILE B 225 10.687 0.467 -3.460 1.00 2.22 C ATOM 1244 CD1 ILE B 225 8.488 2.377 -4.324 1.00 15.54 C ATOM 0 H ILE B 225 10.026 3.600 -1.045 1.00 24.24 H new ATOM 0 HA ILE B 225 10.126 0.797 -0.767 1.00 11.41 H new ATOM 0 HB ILE B 225 10.986 2.552 -3.114 1.00 62.12 H new ATOM 0 HG12 ILE B 225 8.265 1.351 -2.465 1.00 42.45 H new ATOM 0 HG13 ILE B 225 8.687 3.044 -2.305 1.00 42.45 H new ATOM 0 HG21 ILE B 225 10.438 0.595 -4.513 1.00 2.22 H new ATOM 0 HG22 ILE B 225 11.749 0.241 -3.363 1.00 2.22 H new ATOM 0 HG23 ILE B 225 10.102 -0.354 -3.046 1.00 2.22 H new ATOM 0 HD11 ILE B 225 7.432 2.644 -4.369 1.00 15.54 H new ATOM 0 HD12 ILE B 225 9.085 3.188 -4.740 1.00 15.54 H new ATOM 0 HD13 ILE B 225 8.657 1.469 -4.902 1.00 15.54 H new ATOM 1256 N GLU B 226 13.034 2.337 -1.127 1.00 52.44 N ATOM 1257 CA GLU B 226 14.490 2.215 -1.010 1.00 23.11 C ATOM 1258 C GLU B 226 14.883 1.610 0.346 1.00 0.51 C ATOM 1259 O GLU B 226 15.734 0.724 0.427 1.00 31.24 O ATOM 1260 CB GLU B 226 15.136 3.603 -1.162 1.00 63.05 C ATOM 1261 CG GLU B 226 16.644 3.578 -1.414 1.00 44.25 C ATOM 1262 CD GLU B 226 17.002 3.462 -2.892 1.00 42.12 C ATOM 1263 OE1 GLU B 226 16.758 2.396 -3.492 1.00 75.21 O ATOM 1264 OE2 GLU B 226 17.521 4.444 -3.464 1.00 12.53 O ATOM 0 H GLU B 226 12.711 3.294 -1.272 1.00 52.44 H new ATOM 0 HA GLU B 226 14.846 1.552 -1.799 1.00 23.11 H new ATOM 0 HB2 GLU B 226 14.652 4.127 -1.986 1.00 63.05 H new ATOM 0 HB3 GLU B 226 14.941 4.181 -0.259 1.00 63.05 H new ATOM 0 HG2 GLU B 226 17.089 4.487 -1.009 1.00 44.25 H new ATOM 0 HG3 GLU B 226 17.083 2.740 -0.873 1.00 44.25 H new ATOM 1271 N ALA B 227 14.257 2.108 1.414 1.00 12.12 N ATOM 1272 CA ALA B 227 14.504 1.607 2.770 1.00 24.23 C ATOM 1273 C ALA B 227 13.805 0.260 3.015 1.00 20.12 C ATOM 1274 O ALA B 227 14.311 -0.590 3.749 1.00 71.53 O ATOM 1275 CB ALA B 227 14.053 2.637 3.803 1.00 13.42 C ATOM 0 H ALA B 227 13.572 2.862 1.367 1.00 12.12 H new ATOM 0 HA ALA B 227 15.577 1.444 2.874 1.00 24.23 H new ATOM 0 HB1 ALA B 227 14.242 2.253 4.806 1.00 13.42 H new ATOM 0 HB2 ALA B 227 14.608 3.564 3.659 1.00 13.42 H new ATOM 0 HB3 ALA B 227 12.987 2.830 3.683 1.00 13.42 H new ATOM 1281 N LEU B 228 12.642 0.070 2.391 1.00 2.40 N ATOM 1282 CA LEU B 228 11.865 -1.167 2.539 1.00 2.33 C ATOM 1283 C LEU B 228 12.707 -2.404 2.193 1.00 15.03 C ATOM 1284 O LEU B 228 12.805 -3.340 2.987 1.00 51.15 O ATOM 1285 CB LEU B 228 10.617 -1.120 1.644 1.00 64.34 C ATOM 1286 CG LEU B 228 9.659 -2.316 1.781 1.00 70.22 C ATOM 1287 CD1 LEU B 228 9.047 -2.364 3.180 1.00 62.12 C ATOM 1288 CD2 LEU B 228 8.571 -2.260 0.710 1.00 3.12 C ATOM 0 H LEU B 228 12.213 0.760 1.774 1.00 2.40 H new ATOM 0 HA LEU B 228 11.560 -1.245 3.583 1.00 2.33 H new ATOM 0 HB2 LEU B 228 10.065 -0.207 1.868 1.00 64.34 H new ATOM 0 HB3 LEU B 228 10.939 -1.052 0.605 1.00 64.34 H new ATOM 0 HG LEU B 228 10.232 -3.231 1.634 1.00 70.22 H new ATOM 0 HD11 LEU B 228 8.373 -3.218 3.253 1.00 62.12 H new ATOM 0 HD12 LEU B 228 9.840 -2.463 3.921 1.00 62.12 H new ATOM 0 HD13 LEU B 228 8.490 -1.445 3.365 1.00 62.12 H new ATOM 0 HD21 LEU B 228 7.904 -3.114 0.824 1.00 3.12 H new ATOM 0 HD22 LEU B 228 8.001 -1.337 0.818 1.00 3.12 H new ATOM 0 HD23 LEU B 228 9.031 -2.288 -0.278 1.00 3.12 H new ATOM 1300 N LYS B 229 13.344 -2.382 1.023 1.00 4.52 N ATOM 1301 CA LYS B 229 14.157 -3.513 0.551 1.00 12.31 C ATOM 1302 C LYS B 229 15.356 -3.802 1.480 1.00 73.33 C ATOM 1303 O LYS B 229 16.067 -4.791 1.300 1.00 12.12 O ATOM 1304 CB LYS B 229 14.662 -3.237 -0.871 1.00 53.45 C ATOM 1305 CG LYS B 229 15.572 -2.016 -0.967 1.00 71.00 C ATOM 1306 CD LYS B 229 16.045 -1.758 -2.395 1.00 15.33 C ATOM 1307 CE LYS B 229 16.948 -0.534 -2.466 1.00 24.41 C ATOM 1308 NZ LYS B 229 17.350 -0.213 -3.859 1.00 34.24 N ATOM 0 H LYS B 229 13.315 -1.592 0.379 1.00 4.52 H new ATOM 0 HA LYS B 229 13.517 -4.395 0.556 1.00 12.31 H new ATOM 0 HB2 LYS B 229 15.202 -4.112 -1.233 1.00 53.45 H new ATOM 0 HB3 LYS B 229 13.806 -3.095 -1.531 1.00 53.45 H new ATOM 0 HG2 LYS B 229 15.040 -1.139 -0.599 1.00 71.00 H new ATOM 0 HG3 LYS B 229 16.437 -2.159 -0.320 1.00 71.00 H new ATOM 0 HD2 LYS B 229 16.582 -2.631 -2.766 1.00 15.33 H new ATOM 0 HD3 LYS B 229 15.182 -1.614 -3.046 1.00 15.33 H new ATOM 0 HE2 LYS B 229 16.431 0.322 -2.032 1.00 24.41 H new ATOM 0 HE3 LYS B 229 17.839 -0.707 -1.863 1.00 24.41 H new ATOM 0 HZ1 LYS B 229 17.222 0.805 -4.031 1.00 34.24 H new ATOM 0 HZ2 LYS B 229 18.349 -0.465 -3.999 1.00 34.24 H new ATOM 0 HZ3 LYS B 229 16.760 -0.753 -4.524 1.00 34.24 H new ATOM 1322 N SER B 230 15.590 -2.924 2.455 1.00 31.14 N ATOM 1323 CA SER B 230 16.671 -3.118 3.437 1.00 20.43 C ATOM 1324 C SER B 230 16.176 -3.866 4.689 1.00 20.10 C ATOM 1325 O SER B 230 16.975 -4.407 5.455 1.00 52.23 O ATOM 1326 CB SER B 230 17.277 -1.764 3.845 1.00 24.21 C ATOM 1327 OG SER B 230 18.285 -1.915 4.838 1.00 44.20 O ATOM 0 H SER B 230 15.049 -2.070 2.591 1.00 31.14 H new ATOM 0 HA SER B 230 17.438 -3.728 2.960 1.00 20.43 H new ATOM 0 HB2 SER B 230 17.701 -1.276 2.967 1.00 24.21 H new ATOM 0 HB3 SER B 230 16.489 -1.112 4.223 1.00 24.21 H new ATOM 0 HG SER B 230 18.648 -1.035 5.072 1.00 44.20 H new ATOM 1333 N ARG B 231 14.854 -3.908 4.891 1.00 34.23 N ATOM 1334 CA ARG B 231 14.267 -4.564 6.074 1.00 51.52 C ATOM 1335 C ARG B 231 13.163 -5.578 5.706 1.00 55.13 C ATOM 1336 O ARG B 231 12.270 -5.854 6.511 1.00 23.02 O ATOM 1337 CB ARG B 231 13.694 -3.510 7.036 1.00 1.33 C ATOM 1338 CG ARG B 231 12.585 -2.645 6.428 1.00 63.32 C ATOM 1339 CD ARG B 231 11.456 -2.402 7.424 1.00 32.24 C ATOM 1340 NE ARG B 231 10.760 -3.647 7.758 1.00 31.42 N ATOM 1341 CZ ARG B 231 10.049 -3.834 8.839 1.00 53.33 C ATOM 1342 NH1 ARG B 231 9.966 -2.920 9.751 1.00 35.01 N ATOM 1343 NH2 ARG B 231 9.432 -4.954 9.010 1.00 12.40 N ATOM 0 H ARG B 231 14.169 -3.498 4.256 1.00 34.23 H new ATOM 0 HA ARG B 231 15.072 -5.116 6.558 1.00 51.52 H new ATOM 0 HB2 ARG B 231 13.303 -4.015 7.920 1.00 1.33 H new ATOM 0 HB3 ARG B 231 14.503 -2.861 7.371 1.00 1.33 H new ATOM 0 HG2 ARG B 231 13.001 -1.690 6.108 1.00 63.32 H new ATOM 0 HG3 ARG B 231 12.188 -3.133 5.538 1.00 63.32 H new ATOM 0 HD2 ARG B 231 11.860 -1.955 8.332 1.00 32.24 H new ATOM 0 HD3 ARG B 231 10.747 -1.688 7.005 1.00 32.24 H new ATOM 0 HE ARG B 231 10.835 -4.423 7.100 1.00 31.42 H new ATOM 0 HH11 ARG B 231 10.460 -2.036 9.633 1.00 35.01 H new ATOM 0 HH12 ARG B 231 9.406 -3.084 10.588 1.00 35.01 H new ATOM 0 HH21 ARG B 231 9.501 -5.687 8.304 1.00 12.40 H new ATOM 0 HH22 ARG B 231 8.876 -5.106 9.851 1.00 12.40 H new ATOM 1357 N VAL B 232 13.222 -6.135 4.498 1.00 62.11 N ATOM 1358 CA VAL B 232 12.268 -7.178 4.085 1.00 34.44 C ATOM 1359 C VAL B 232 12.883 -8.583 4.189 1.00 1.11 C ATOM 1360 O VAL B 232 14.099 -8.749 4.052 1.00 45.32 O ATOM 1361 CB VAL B 232 11.759 -6.961 2.636 1.00 2.02 C ATOM 1362 CG1 VAL B 232 10.885 -5.716 2.554 1.00 34.02 C ATOM 1363 CG2 VAL B 232 12.925 -6.879 1.650 1.00 25.15 C ATOM 0 H VAL B 232 13.912 -5.888 3.789 1.00 62.11 H new ATOM 0 HA VAL B 232 11.425 -7.101 4.772 1.00 34.44 H new ATOM 0 HB VAL B 232 11.150 -7.822 2.359 1.00 2.02 H new ATOM 0 HG11 VAL B 232 10.538 -5.582 1.529 1.00 34.02 H new ATOM 0 HG12 VAL B 232 10.026 -5.830 3.216 1.00 34.02 H new ATOM 0 HG13 VAL B 232 11.464 -4.844 2.858 1.00 34.02 H new ATOM 0 HG21 VAL B 232 12.539 -6.727 0.642 1.00 25.15 H new ATOM 0 HG22 VAL B 232 13.572 -6.045 1.921 1.00 25.15 H new ATOM 0 HG23 VAL B 232 13.496 -7.807 1.684 1.00 25.15 H new ATOM 1373 N PRO B 233 12.052 -9.612 4.461 1.00 30.24 N ATOM 1374 CA PRO B 233 12.497 -11.019 4.478 1.00 2.31 C ATOM 1375 C PRO B 233 13.125 -11.460 3.143 1.00 52.44 C ATOM 1376 O PRO B 233 12.689 -11.038 2.067 1.00 42.32 O ATOM 1377 CB PRO B 233 11.204 -11.801 4.760 1.00 63.30 C ATOM 1378 CG PRO B 233 10.306 -10.819 5.429 1.00 33.04 C ATOM 1379 CD PRO B 233 10.621 -9.488 4.801 1.00 51.11 C ATOM 0 HA PRO B 233 13.279 -11.188 5.218 1.00 2.31 H new ATOM 0 HB2 PRO B 233 10.761 -12.179 3.839 1.00 63.30 H new ATOM 0 HB3 PRO B 233 11.394 -12.663 5.399 1.00 63.30 H new ATOM 0 HG2 PRO B 233 9.259 -11.083 5.283 1.00 33.04 H new ATOM 0 HG3 PRO B 233 10.482 -10.796 6.504 1.00 33.04 H new ATOM 0 HD2 PRO B 233 10.011 -9.304 3.917 1.00 51.11 H new ATOM 0 HD3 PRO B 233 10.440 -8.663 5.490 1.00 51.11 H new ATOM 1387 N ALA B 234 14.125 -12.337 3.222 1.00 24.04 N ATOM 1388 CA ALA B 234 14.912 -12.749 2.050 1.00 12.24 C ATOM 1389 C ALA B 234 14.068 -13.414 0.949 1.00 31.21 C ATOM 1390 O ALA B 234 14.511 -13.528 -0.196 1.00 24.44 O ATOM 1391 CB ALA B 234 16.031 -13.689 2.484 1.00 52.11 C ATOM 0 H ALA B 234 14.415 -12.782 4.093 1.00 24.04 H new ATOM 0 HA ALA B 234 15.326 -11.839 1.617 1.00 12.24 H new ATOM 0 HB1 ALA B 234 16.611 -13.991 1.612 1.00 52.11 H new ATOM 0 HB2 ALA B 234 16.682 -13.177 3.193 1.00 52.11 H new ATOM 0 HB3 ALA B 234 15.601 -14.572 2.958 1.00 52.11 H new ATOM 1397 N ASN B 235 12.862 -13.866 1.291 1.00 51.21 N ATOM 1398 CA ASN B 235 11.987 -14.535 0.315 1.00 13.43 C ATOM 1399 C ASN B 235 10.670 -13.774 0.096 1.00 2.04 C ATOM 1400 O ASN B 235 9.729 -14.309 -0.494 1.00 33.55 O ATOM 1401 CB ASN B 235 11.690 -15.968 0.775 1.00 32.33 C ATOM 1402 CG ASN B 235 12.958 -16.746 1.065 1.00 41.31 C ATOM 1403 OD1 ASN B 235 13.527 -17.385 0.186 1.00 21.53 O ATOM 1404 ND2 ASN B 235 13.414 -16.699 2.301 1.00 14.02 N ATOM 0 H ASN B 235 12.466 -13.785 2.228 1.00 51.21 H new ATOM 0 HA ASN B 235 12.516 -14.553 -0.638 1.00 13.43 H new ATOM 0 HB2 ASN B 235 11.069 -15.940 1.671 1.00 32.33 H new ATOM 0 HB3 ASN B 235 11.116 -16.484 0.005 1.00 32.33 H new ATOM 0 HD21 ASN B 235 14.265 -17.204 2.550 1.00 14.02 H new ATOM 0 HD22 ASN B 235 12.916 -16.158 3.008 1.00 14.02 H new ATOM 1411 N THR B 236 10.600 -12.524 0.551 1.00 44.40 N ATOM 1412 CA THR B 236 9.390 -11.704 0.367 1.00 33.50 C ATOM 1413 C THR B 236 9.641 -10.552 -0.620 1.00 31.43 C ATOM 1414 O THR B 236 10.224 -9.524 -0.268 1.00 50.51 O ATOM 1415 CB THR B 236 8.874 -11.125 1.708 1.00 60.55 C ATOM 1416 OG1 THR B 236 8.714 -12.177 2.674 1.00 63.13 O ATOM 1417 CG2 THR B 236 7.539 -10.418 1.516 1.00 54.22 C ATOM 0 H THR B 236 11.357 -12.054 1.047 1.00 44.40 H new ATOM 0 HA THR B 236 8.627 -12.367 -0.041 1.00 33.50 H new ATOM 0 HB THR B 236 9.609 -10.405 2.067 1.00 60.55 H new ATOM 0 HG1 THR B 236 8.242 -11.830 3.460 1.00 63.13 H new ATOM 0 HG21 THR B 236 7.197 -10.020 2.471 1.00 54.22 H new ATOM 0 HG22 THR B 236 7.659 -9.601 0.805 1.00 54.22 H new ATOM 0 HG23 THR B 236 6.804 -11.126 1.134 1.00 54.22 H new ATOM 1425 N SER B 237 9.176 -10.723 -1.854 1.00 41.45 N ATOM 1426 CA SER B 237 9.482 -9.786 -2.946 1.00 34.14 C ATOM 1427 C SER B 237 8.560 -8.553 -2.949 1.00 11.23 C ATOM 1428 O SER B 237 7.551 -8.528 -3.648 1.00 53.22 O ATOM 1429 CB SER B 237 9.385 -10.508 -4.299 1.00 43.24 C ATOM 1430 OG SER B 237 10.226 -11.654 -4.337 1.00 52.14 O ATOM 0 H SER B 237 8.582 -11.505 -2.130 1.00 41.45 H new ATOM 0 HA SER B 237 10.499 -9.428 -2.782 1.00 34.14 H new ATOM 0 HB2 SER B 237 8.352 -10.806 -4.481 1.00 43.24 H new ATOM 0 HB3 SER B 237 9.664 -9.823 -5.100 1.00 43.24 H new ATOM 0 HG SER B 237 10.141 -12.093 -5.209 1.00 52.14 H new ATOM 1436 N MET B 238 8.912 -7.553 -2.130 1.00 73.32 N ATOM 1437 CA MET B 238 8.257 -6.222 -2.127 1.00 60.30 C ATOM 1438 C MET B 238 6.709 -6.269 -2.142 1.00 11.11 C ATOM 1439 O MET B 238 6.072 -6.106 -1.098 1.00 22.32 O ATOM 1440 CB MET B 238 8.770 -5.372 -3.299 1.00 50.51 C ATOM 1441 CG MET B 238 10.240 -4.984 -3.182 1.00 41.52 C ATOM 1442 SD MET B 238 10.813 -3.988 -4.573 1.00 5.43 S ATOM 1443 CE MET B 238 10.702 -5.173 -5.915 1.00 2.15 C ATOM 0 H MET B 238 9.662 -7.637 -1.444 1.00 73.32 H new ATOM 0 HA MET B 238 8.532 -5.763 -1.177 1.00 60.30 H new ATOM 0 HB2 MET B 238 8.622 -5.924 -4.227 1.00 50.51 H new ATOM 0 HB3 MET B 238 8.169 -4.465 -3.368 1.00 50.51 H new ATOM 0 HG2 MET B 238 10.392 -4.429 -2.256 1.00 41.52 H new ATOM 0 HG3 MET B 238 10.845 -5.888 -3.114 1.00 41.52 H new ATOM 0 HE1 MET B 238 11.292 -4.821 -6.761 1.00 2.15 H new ATOM 0 HE2 MET B 238 11.086 -6.137 -5.582 1.00 2.15 H new ATOM 0 HE3 MET B 238 9.661 -5.282 -6.219 1.00 2.15 H new ATOM 1453 N SER B 239 6.113 -6.475 -3.323 1.00 63.33 N ATOM 1454 CA SER B 239 4.642 -6.483 -3.479 1.00 15.12 C ATOM 1455 C SER B 239 3.969 -7.442 -2.489 1.00 23.22 C ATOM 1456 O SER B 239 2.962 -7.102 -1.863 1.00 15.55 O ATOM 1457 CB SER B 239 4.253 -6.873 -4.911 1.00 64.34 C ATOM 1458 OG SER B 239 2.843 -6.941 -5.067 1.00 32.32 O ATOM 0 H SER B 239 6.623 -6.639 -4.191 1.00 63.33 H new ATOM 0 HA SER B 239 4.293 -5.472 -3.268 1.00 15.12 H new ATOM 0 HB2 SER B 239 4.663 -6.145 -5.611 1.00 64.34 H new ATOM 0 HB3 SER B 239 4.695 -7.838 -5.159 1.00 64.34 H new ATOM 0 HG SER B 239 2.506 -6.074 -5.377 1.00 32.32 H new ATOM 1464 N ALA B 240 4.536 -8.641 -2.348 1.00 61.14 N ATOM 1465 CA ALA B 240 4.024 -9.642 -1.403 1.00 34.31 C ATOM 1466 C ALA B 240 4.046 -9.116 0.043 1.00 45.21 C ATOM 1467 O ALA B 240 3.207 -9.484 0.868 1.00 31.44 O ATOM 1468 CB ALA B 240 4.833 -10.931 -1.513 1.00 11.13 C ATOM 0 H ALA B 240 5.353 -8.946 -2.877 1.00 61.14 H new ATOM 0 HA ALA B 240 2.986 -9.850 -1.663 1.00 34.31 H new ATOM 0 HB1 ALA B 240 4.444 -11.666 -0.808 1.00 11.13 H new ATOM 0 HB2 ALA B 240 4.755 -11.324 -2.527 1.00 11.13 H new ATOM 0 HB3 ALA B 240 5.878 -10.725 -1.283 1.00 11.13 H new ATOM 1474 N TYR B 241 5.005 -8.240 0.336 1.00 71.35 N ATOM 1475 CA TYR B 241 5.144 -7.655 1.672 1.00 11.30 C ATOM 1476 C TYR B 241 4.071 -6.581 1.908 1.00 41.20 C ATOM 1477 O TYR B 241 3.350 -6.615 2.906 1.00 23.22 O ATOM 1478 CB TYR B 241 6.550 -7.054 1.838 1.00 33.32 C ATOM 1479 CG TYR B 241 6.943 -6.786 3.280 1.00 50.34 C ATOM 1480 CD1 TYR B 241 7.221 -7.838 4.146 1.00 50.31 C ATOM 1481 CD2 TYR B 241 7.043 -5.489 3.773 1.00 72.02 C ATOM 1482 CE1 TYR B 241 7.581 -7.608 5.457 1.00 0.34 C ATOM 1483 CE2 TYR B 241 7.405 -5.253 5.085 1.00 42.11 C ATOM 1484 CZ TYR B 241 7.674 -6.315 5.920 1.00 53.40 C ATOM 1485 OH TYR B 241 8.038 -6.085 7.223 1.00 54.54 O ATOM 0 H TYR B 241 5.701 -7.917 -0.336 1.00 71.35 H new ATOM 0 HA TYR B 241 5.006 -8.442 2.413 1.00 11.30 H new ATOM 0 HB2 TYR B 241 7.278 -7.733 1.394 1.00 33.32 H new ATOM 0 HB3 TYR B 241 6.603 -6.120 1.279 1.00 33.32 H new ATOM 0 HD1 TYR B 241 7.154 -8.854 3.785 1.00 50.31 H new ATOM 0 HD2 TYR B 241 6.835 -4.654 3.120 1.00 72.02 H new ATOM 0 HE1 TYR B 241 7.789 -8.437 6.117 1.00 0.34 H new ATOM 0 HE2 TYR B 241 7.477 -4.241 5.454 1.00 42.11 H new ATOM 0 HH TYR B 241 8.196 -6.940 7.674 1.00 54.54 H new ATOM 1495 N ILE B 242 3.961 -5.636 0.973 1.00 55.22 N ATOM 1496 CA ILE B 242 2.943 -4.579 1.047 1.00 54.03 C ATOM 1497 C ILE B 242 1.521 -5.171 1.044 1.00 75.55 C ATOM 1498 O ILE B 242 0.619 -4.660 1.716 1.00 13.43 O ATOM 1499 CB ILE B 242 3.085 -3.580 -0.135 1.00 63.40 C ATOM 1500 CG1 ILE B 242 4.498 -2.965 -0.159 1.00 3.32 C ATOM 1501 CG2 ILE B 242 2.021 -2.481 -0.054 1.00 21.12 C ATOM 1502 CD1 ILE B 242 4.845 -2.161 1.080 1.00 72.32 C ATOM 0 H ILE B 242 4.564 -5.578 0.153 1.00 55.22 H new ATOM 0 HA ILE B 242 3.103 -4.047 1.985 1.00 54.03 H new ATOM 0 HB ILE B 242 2.933 -4.131 -1.063 1.00 63.40 H new ATOM 0 HG12 ILE B 242 5.229 -3.765 -0.276 1.00 3.32 H new ATOM 0 HG13 ILE B 242 4.587 -2.321 -1.034 1.00 3.32 H new ATOM 0 HG21 ILE B 242 2.142 -1.795 -0.892 1.00 21.12 H new ATOM 0 HG22 ILE B 242 1.029 -2.931 -0.094 1.00 21.12 H new ATOM 0 HG23 ILE B 242 2.134 -1.934 0.882 1.00 21.12 H new ATOM 0 HD11 ILE B 242 5.855 -1.763 0.984 1.00 72.32 H new ATOM 0 HD12 ILE B 242 4.139 -1.338 1.189 1.00 72.32 H new ATOM 0 HD13 ILE B 242 4.791 -2.804 1.958 1.00 72.32 H new ATOM 1514 N ARG B 243 1.347 -6.263 0.298 1.00 42.34 N ATOM 1515 CA ARG B 243 0.051 -6.944 0.176 1.00 35.34 C ATOM 1516 C ARG B 243 -0.552 -7.271 1.552 1.00 13.55 C ATOM 1517 O ARG B 243 -1.746 -7.074 1.781 1.00 10.43 O ATOM 1518 CB ARG B 243 0.217 -8.237 -0.637 1.00 51.20 C ATOM 1519 CG ARG B 243 -1.101 -8.905 -1.021 1.00 41.55 C ATOM 1520 CD ARG B 243 -0.884 -10.240 -1.734 1.00 10.31 C ATOM 1521 NE ARG B 243 -2.121 -10.751 -2.323 1.00 70.11 N ATOM 1522 CZ ARG B 243 -2.430 -12.017 -2.419 1.00 42.23 C ATOM 1523 NH1 ARG B 243 -1.658 -12.932 -1.925 1.00 21.51 N ATOM 1524 NH2 ARG B 243 -3.526 -12.363 -3.004 1.00 53.43 N ATOM 0 H ARG B 243 2.096 -6.701 -0.238 1.00 42.34 H new ATOM 0 HA ARG B 243 -0.633 -6.268 -0.337 1.00 35.34 H new ATOM 0 HB2 ARG B 243 0.777 -8.013 -1.545 1.00 51.20 H new ATOM 0 HB3 ARG B 243 0.815 -8.942 -0.060 1.00 51.20 H new ATOM 0 HG2 ARG B 243 -1.699 -9.067 -0.124 1.00 41.55 H new ATOM 0 HG3 ARG B 243 -1.670 -8.237 -1.668 1.00 41.55 H new ATOM 0 HD2 ARG B 243 -0.134 -10.117 -2.515 1.00 10.31 H new ATOM 0 HD3 ARG B 243 -0.490 -10.970 -1.026 1.00 10.31 H new ATOM 0 HE ARG B 243 -2.790 -10.071 -2.684 1.00 70.11 H new ATOM 0 HH11 ARG B 243 -0.793 -12.669 -1.452 1.00 21.51 H new ATOM 0 HH12 ARG B 243 -1.915 -13.916 -2.009 1.00 21.51 H new ATOM 0 HH21 ARG B 243 -4.146 -11.650 -3.389 1.00 53.43 H new ATOM 0 HH22 ARG B 243 -3.773 -13.350 -3.082 1.00 53.43 H new ATOM 1538 N ARG B 244 0.274 -7.771 2.470 1.00 24.21 N ATOM 1539 CA ARG B 244 -0.207 -8.123 3.807 1.00 22.23 C ATOM 1540 C ARG B 244 -0.289 -6.895 4.731 1.00 4.14 C ATOM 1541 O ARG B 244 -1.121 -6.852 5.635 1.00 45.51 O ATOM 1542 CB ARG B 244 0.674 -9.209 4.448 1.00 30.54 C ATOM 1543 CG ARG B 244 2.100 -8.763 4.776 1.00 70.44 C ATOM 1544 CD ARG B 244 2.775 -9.724 5.751 1.00 14.14 C ATOM 1545 NE ARG B 244 1.969 -9.898 6.960 1.00 21.11 N ATOM 1546 CZ ARG B 244 2.320 -9.503 8.153 1.00 62.34 C ATOM 1547 NH1 ARG B 244 3.506 -9.034 8.379 1.00 12.11 N ATOM 1548 NH2 ARG B 244 1.479 -9.613 9.129 1.00 24.10 N ATOM 0 H ARG B 244 1.268 -7.940 2.317 1.00 24.21 H new ATOM 0 HA ARG B 244 -1.215 -8.518 3.684 1.00 22.23 H new ATOM 0 HB2 ARG B 244 0.195 -9.552 5.365 1.00 30.54 H new ATOM 0 HB3 ARG B 244 0.721 -10.064 3.774 1.00 30.54 H new ATOM 0 HG2 ARG B 244 2.684 -8.704 3.858 1.00 70.44 H new ATOM 0 HG3 ARG B 244 2.080 -7.761 5.206 1.00 70.44 H new ATOM 0 HD2 ARG B 244 2.927 -10.690 5.269 1.00 14.14 H new ATOM 0 HD3 ARG B 244 3.761 -9.343 6.019 1.00 14.14 H new ATOM 0 HE ARG B 244 1.066 -10.362 6.863 1.00 21.11 H new ATOM 0 HH11 ARG B 244 4.182 -8.969 7.618 1.00 12.11 H new ATOM 0 HH12 ARG B 244 3.764 -8.730 9.318 1.00 12.11 H new ATOM 0 HH21 ARG B 244 0.552 -10.005 8.962 1.00 24.10 H new ATOM 0 HH22 ARG B 244 1.742 -9.308 10.066 1.00 24.10 H new ATOM 1562 N ILE B 245 0.567 -5.897 4.496 1.00 72.44 N ATOM 1563 CA ILE B 245 0.588 -4.683 5.329 1.00 31.34 C ATOM 1564 C ILE B 245 -0.772 -3.968 5.321 1.00 30.42 C ATOM 1565 O ILE B 245 -1.322 -3.651 6.381 1.00 12.03 O ATOM 1566 CB ILE B 245 1.692 -3.691 4.875 1.00 42.24 C ATOM 1567 CG1 ILE B 245 3.086 -4.316 5.052 1.00 13.43 C ATOM 1568 CG2 ILE B 245 1.591 -2.375 5.650 1.00 61.32 C ATOM 1569 CD1 ILE B 245 4.222 -3.408 4.618 1.00 5.31 C ATOM 0 H ILE B 245 1.253 -5.901 3.741 1.00 72.44 H new ATOM 0 HA ILE B 245 0.809 -5.012 6.344 1.00 31.34 H new ATOM 0 HB ILE B 245 1.542 -3.476 3.817 1.00 42.24 H new ATOM 0 HG12 ILE B 245 3.225 -4.581 6.100 1.00 13.43 H new ATOM 0 HG13 ILE B 245 3.134 -5.242 4.480 1.00 13.43 H new ATOM 0 HG21 ILE B 245 2.374 -1.695 5.316 1.00 61.32 H new ATOM 0 HG22 ILE B 245 0.616 -1.922 5.471 1.00 61.32 H new ATOM 0 HG23 ILE B 245 1.711 -2.570 6.716 1.00 61.32 H new ATOM 0 HD11 ILE B 245 5.174 -3.917 4.772 1.00 5.31 H new ATOM 0 HD12 ILE B 245 4.109 -3.163 3.562 1.00 5.31 H new ATOM 0 HD13 ILE B 245 4.201 -2.491 5.208 1.00 5.31 H new ATOM 1581 N ILE B 246 -1.318 -3.719 4.130 1.00 40.44 N ATOM 1582 CA ILE B 246 -2.641 -3.098 4.015 1.00 24.02 C ATOM 1583 C ILE B 246 -3.720 -3.991 4.643 1.00 42.10 C ATOM 1584 O ILE B 246 -4.617 -3.511 5.339 1.00 64.12 O ATOM 1585 CB ILE B 246 -3.022 -2.788 2.540 1.00 35.13 C ATOM 1586 CG1 ILE B 246 -3.085 -4.077 1.698 1.00 70.14 C ATOM 1587 CG2 ILE B 246 -2.031 -1.796 1.929 1.00 53.43 C ATOM 1588 CD1 ILE B 246 -3.596 -3.862 0.288 1.00 44.22 C ATOM 0 H ILE B 246 -0.871 -3.935 3.239 1.00 40.44 H new ATOM 0 HA ILE B 246 -2.588 -2.153 4.556 1.00 24.02 H new ATOM 0 HB ILE B 246 -4.014 -2.337 2.537 1.00 35.13 H new ATOM 0 HG12 ILE B 246 -2.089 -4.518 1.650 1.00 70.14 H new ATOM 0 HG13 ILE B 246 -3.729 -4.798 2.202 1.00 70.14 H new ATOM 0 HG21 ILE B 246 -2.312 -1.590 0.896 1.00 53.43 H new ATOM 0 HG22 ILE B 246 -2.045 -0.868 2.501 1.00 53.43 H new ATOM 0 HG23 ILE B 246 -1.028 -2.222 1.954 1.00 53.43 H new ATOM 0 HD11 ILE B 246 -3.612 -4.814 -0.242 1.00 44.22 H new ATOM 0 HD12 ILE B 246 -4.605 -3.451 0.325 1.00 44.22 H new ATOM 0 HD13 ILE B 246 -2.940 -3.166 -0.235 1.00 44.22 H new ATOM 1600 N LEU B 247 -3.604 -5.300 4.409 1.00 53.30 N ATOM 1601 CA LEU B 247 -4.533 -6.288 4.961 1.00 62.10 C ATOM 1602 C LEU B 247 -4.583 -6.205 6.496 1.00 30.43 C ATOM 1603 O LEU B 247 -5.654 -6.290 7.103 1.00 1.32 O ATOM 1604 CB LEU B 247 -4.108 -7.696 4.521 1.00 13.13 C ATOM 1605 CG LEU B 247 -5.057 -8.830 4.932 1.00 14.22 C ATOM 1606 CD1 LEU B 247 -6.424 -8.645 4.280 1.00 52.14 C ATOM 1607 CD2 LEU B 247 -4.462 -10.194 4.573 1.00 41.42 C ATOM 0 H LEU B 247 -2.865 -5.704 3.833 1.00 53.30 H new ATOM 0 HA LEU B 247 -5.532 -6.074 4.581 1.00 62.10 H new ATOM 0 HB2 LEU B 247 -4.008 -7.704 3.436 1.00 13.13 H new ATOM 0 HB3 LEU B 247 -3.121 -7.904 4.933 1.00 13.13 H new ATOM 0 HG LEU B 247 -5.186 -8.794 6.014 1.00 14.22 H new ATOM 0 HD11 LEU B 247 -7.084 -9.458 4.582 1.00 52.14 H new ATOM 0 HD12 LEU B 247 -6.852 -7.693 4.596 1.00 52.14 H new ATOM 0 HD13 LEU B 247 -6.314 -8.651 3.196 1.00 52.14 H new ATOM 0 HD21 LEU B 247 -5.152 -10.982 4.874 1.00 41.42 H new ATOM 0 HD22 LEU B 247 -4.297 -10.247 3.497 1.00 41.42 H new ATOM 0 HD23 LEU B 247 -3.513 -10.325 5.093 1.00 41.42 H new ATOM 1619 N ASN B 248 -3.416 -6.013 7.111 1.00 40.42 N ATOM 1620 CA ASN B 248 -3.314 -5.893 8.569 1.00 43.20 C ATOM 1621 C ASN B 248 -4.222 -4.780 9.116 1.00 52.21 C ATOM 1622 O ASN B 248 -4.735 -4.883 10.227 1.00 23.35 O ATOM 1623 CB ASN B 248 -1.858 -5.642 8.988 1.00 74.04 C ATOM 1624 CG ASN B 248 -0.958 -6.822 8.671 1.00 53.24 C ATOM 1625 OD1 ASN B 248 -1.396 -7.965 8.654 1.00 33.33 O ATOM 1626 ND2 ASN B 248 0.311 -6.561 8.435 1.00 45.23 N ATOM 0 H ASN B 248 -2.524 -5.937 6.622 1.00 40.42 H new ATOM 0 HA ASN B 248 -3.651 -6.837 8.997 1.00 43.20 H new ATOM 0 HB2 ASN B 248 -1.483 -4.754 8.478 1.00 74.04 H new ATOM 0 HB3 ASN B 248 -1.820 -5.436 10.058 1.00 74.04 H new ATOM 0 HD21 ASN B 248 0.959 -7.322 8.231 1.00 45.23 H new ATOM 0 HD22 ASN B 248 0.646 -5.598 8.456 1.00 45.23 H new ATOM 1633 N HIS B 249 -4.437 -3.725 8.331 1.00 73.34 N ATOM 1634 CA HIS B 249 -5.324 -2.637 8.756 1.00 61.04 C ATOM 1635 C HIS B 249 -6.804 -3.041 8.630 1.00 53.52 C ATOM 1636 O HIS B 249 -7.635 -2.622 9.431 1.00 3.13 O ATOM 1637 CB HIS B 249 -5.053 -1.358 7.952 1.00 4.34 C ATOM 1638 CG HIS B 249 -5.808 -0.166 8.463 1.00 2.51 C ATOM 1639 ND1 HIS B 249 -5.460 0.508 9.612 1.00 12.14 N ATOM 1640 CD2 HIS B 249 -6.913 0.459 7.990 1.00 1.40 C ATOM 1641 CE1 HIS B 249 -6.314 1.486 9.825 1.00 23.11 C ATOM 1642 NE2 HIS B 249 -7.209 1.482 8.859 1.00 64.04 N ATOM 0 H HIS B 249 -4.017 -3.599 7.410 1.00 73.34 H new ATOM 0 HA HIS B 249 -5.113 -2.436 9.806 1.00 61.04 H new ATOM 0 HB2 HIS B 249 -3.985 -1.141 7.976 1.00 4.34 H new ATOM 0 HB3 HIS B 249 -5.320 -1.529 6.909 1.00 4.34 H new ATOM 0 HD1 HIS B 249 -4.662 0.284 10.207 1.00 12.14 H new ATOM 0 HD2 HIS B 249 -7.460 0.201 7.095 1.00 1.40 H new ATOM 0 HE1 HIS B 249 -6.286 2.177 10.654 1.00 23.11 H new ATOM 1651 N LEU B 250 -7.123 -3.864 7.631 1.00 71.13 N ATOM 1652 CA LEU B 250 -8.500 -4.344 7.431 1.00 22.44 C ATOM 1653 C LEU B 250 -8.960 -5.244 8.591 1.00 24.22 C ATOM 1654 O LEU B 250 -10.113 -5.175 9.024 1.00 5.34 O ATOM 1655 CB LEU B 250 -8.634 -5.098 6.091 1.00 53.15 C ATOM 1656 CG LEU B 250 -8.795 -4.216 4.832 1.00 30.34 C ATOM 1657 CD1 LEU B 250 -10.054 -3.356 4.933 1.00 30.23 C ATOM 1658 CD2 LEU B 250 -7.562 -3.343 4.606 1.00 62.41 C ATOM 0 H LEU B 250 -6.452 -4.214 6.947 1.00 71.13 H new ATOM 0 HA LEU B 250 -9.146 -3.466 7.406 1.00 22.44 H new ATOM 0 HB2 LEU B 250 -7.753 -5.726 5.960 1.00 53.15 H new ATOM 0 HB3 LEU B 250 -9.494 -5.765 6.156 1.00 53.15 H new ATOM 0 HG LEU B 250 -8.898 -4.878 3.972 1.00 30.34 H new ATOM 0 HD11 LEU B 250 -10.149 -2.743 4.037 1.00 30.23 H new ATOM 0 HD12 LEU B 250 -10.928 -4.000 5.026 1.00 30.23 H new ATOM 0 HD13 LEU B 250 -9.984 -2.711 5.809 1.00 30.23 H new ATOM 0 HD21 LEU B 250 -7.706 -2.734 3.713 1.00 62.41 H new ATOM 0 HD22 LEU B 250 -7.413 -2.693 5.468 1.00 62.41 H new ATOM 0 HD23 LEU B 250 -6.686 -3.978 4.475 1.00 62.41 H new ATOM 1670 N GLU B 251 -8.062 -6.097 9.085 1.00 41.22 N ATOM 1671 CA GLU B 251 -8.376 -6.968 10.226 1.00 53.20 C ATOM 1672 C GLU B 251 -8.287 -6.214 11.563 1.00 75.22 C ATOM 1673 O GLU B 251 -9.009 -6.529 12.511 1.00 11.24 O ATOM 1674 CB GLU B 251 -7.451 -8.198 10.242 1.00 64.12 C ATOM 1675 CG GLU B 251 -5.960 -7.873 10.255 1.00 41.43 C ATOM 1676 CD GLU B 251 -5.085 -9.119 10.331 1.00 64.05 C ATOM 1677 OE1 GLU B 251 -4.987 -9.848 9.320 1.00 73.34 O ATOM 1678 OE2 GLU B 251 -4.489 -9.375 11.400 1.00 43.30 O ATOM 0 H GLU B 251 -7.116 -6.206 8.718 1.00 41.22 H new ATOM 0 HA GLU B 251 -9.406 -7.303 10.104 1.00 53.20 H new ATOM 0 HB2 GLU B 251 -7.685 -8.801 11.119 1.00 64.12 H new ATOM 0 HB3 GLU B 251 -7.668 -8.811 9.367 1.00 64.12 H new ATOM 0 HG2 GLU B 251 -5.707 -7.311 9.356 1.00 41.43 H new ATOM 0 HG3 GLU B 251 -5.741 -7.228 11.106 1.00 41.43 H new ATOM 1685 N ASP B 252 -7.414 -5.211 11.629 1.00 43.34 N ATOM 1686 CA ASP B 252 -7.210 -4.432 12.858 1.00 62.25 C ATOM 1687 C ASP B 252 -8.312 -3.372 13.072 1.00 23.33 C ATOM 1688 O ASP B 252 -9.050 -3.421 14.063 1.00 31.32 O ATOM 1689 CB ASP B 252 -5.827 -3.770 12.820 1.00 43.14 C ATOM 1690 CG ASP B 252 -5.541 -2.908 14.036 1.00 51.45 C ATOM 1691 OD1 ASP B 252 -5.559 -3.437 15.166 1.00 24.42 O ATOM 1692 OD2 ASP B 252 -5.269 -1.701 13.864 1.00 72.20 O ATOM 0 H ASP B 252 -6.833 -4.914 10.845 1.00 43.34 H new ATOM 0 HA ASP B 252 -7.267 -5.119 13.702 1.00 62.25 H new ATOM 0 HB2 ASP B 252 -5.063 -4.544 12.744 1.00 43.14 H new ATOM 0 HB3 ASP B 252 -5.750 -3.157 11.922 1.00 43.14 H new ATOM 1697 N GLU B 253 -8.425 -2.419 12.145 1.00 1.15 N ATOM 1698 CA GLU B 253 -9.387 -1.311 12.285 1.00 31.01 C ATOM 1699 C GLU B 253 -9.822 -0.770 10.904 1.00 14.41 C ATOM 1700 O GLU B 253 -10.876 -1.211 10.389 1.00 38.15 O ATOM 1701 CB GLU B 253 -8.759 -0.195 13.149 1.00 63.42 C ATOM 1702 CG GLU B 253 -9.746 0.842 13.702 1.00 51.31 C ATOM 1703 CD GLU B 253 -10.164 1.904 12.692 1.00 72.02 C ATOM 1704 OE1 GLU B 253 -9.311 2.737 12.313 1.00 10.21 O ATOM 1705 OE2 GLU B 253 -11.348 1.926 12.294 1.00 45.31 O ATOM 1706 OXT GLU B 253 -9.114 0.089 10.336 1.00 38.15 O ATOM 0 H GLU B 253 -7.868 -2.387 11.291 1.00 1.15 H new ATOM 0 HA GLU B 253 -10.285 -1.681 12.780 1.00 31.01 H new ATOM 0 HB2 GLU B 253 -8.237 -0.657 13.986 1.00 63.42 H new ATOM 0 HB3 GLU B 253 -8.009 0.324 12.553 1.00 63.42 H new ATOM 0 HG2 GLU B 253 -10.637 0.325 14.059 1.00 51.31 H new ATOM 0 HG3 GLU B 253 -9.295 1.333 14.564 1.00 51.31 H new TER 1713 GLU B 253