USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 940 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 ASN : amide:sc= 0.215 K(o=1.4,f=0.85) USER MOD Set 1.2: B 48 TYR OH : rot 27:sc= 1.17 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 0 (180deg=-6.47e-05) USER MOD Single : A 16 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.06) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 72:sc= 1.18 USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= -0.0699 (180deg=-0.0928) USER MOD Single : A 24 MET CE :methyl 158:sc= 0 (180deg=-0.265) USER MOD Single : A 27 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-2.5!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -170:sc= -0.165 (180deg=-0.396) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 79:sc= 0.276 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 30:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.542 K(o=0.54,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -141:sc= 1.23 (180deg=0.81) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ -160:sc= -0.069 (180deg=-0.428) USER MOD Single : B 13 LYS NZ :NH3+ -163:sc= -0.0432 (180deg=-0.315) USER MOD Single : B 14 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0841) USER MOD Single : B 16 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.6!) USER MOD Single : B 18 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : B 20 THR OG1 : rot 79:sc= 1.22 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 MET CE :methyl -159:sc= -0.138 (180deg=-0.753) USER MOD Single : B 27 HIS : no HD1:sc= 1.07 K(o=1.1,f=-4.6!) USER MOD Single : B 35 THR OG1 : rot 19:sc= 1.06 USER MOD Single : B 38 ASN : amide:sc=-0.00867 X(o=-0.0087,f=-0.017) USER MOD Single : B 41 MET CE :methyl -167:sc= -0.0194 (180deg=-0.267) USER MOD Single : B 46 LYS NZ :NH3+ 178:sc= 1.2 (180deg=1.16) USER MOD Single : B 47 THR OG1 : rot 93:sc= -1.24! USER MOD Single : B 51 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 LYS NZ :NH3+ -160:sc= -0.235 (180deg=-1.05!) USER MOD Single : B 60 SER OG : rot 72:sc= 1.21 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 5 28.892 -10.647 -14.356 1.00 0.00 N ATOM 54 CA ALA A 5 27.882 -11.423 -13.657 1.00 0.00 C ATOM 55 C ALA A 5 27.979 -11.234 -12.154 1.00 0.00 C ATOM 56 O ALA A 5 26.968 -11.204 -11.463 1.00 0.00 O ATOM 57 CB ALA A 5 28.001 -12.891 -14.012 1.00 0.00 C ATOM 0 HA ALA A 5 26.905 -11.061 -13.977 1.00 0.00 H new ATOM 0 HB1 ALA A 5 27.237 -13.457 -13.479 1.00 0.00 H new ATOM 0 HB2 ALA A 5 27.864 -13.018 -15.086 1.00 0.00 H new ATOM 0 HB3 ALA A 5 28.988 -13.256 -13.726 1.00 0.00 H new ATOM 63 N GLU A 6 29.202 -11.101 -11.657 1.00 0.00 N ATOM 64 CA GLU A 6 29.435 -10.931 -10.227 1.00 0.00 C ATOM 65 C GLU A 6 28.780 -9.662 -9.702 1.00 0.00 C ATOM 66 O GLU A 6 28.027 -9.693 -8.728 1.00 0.00 O ATOM 67 CB GLU A 6 30.932 -10.902 -9.942 1.00 0.00 C ATOM 68 CG GLU A 6 31.612 -12.218 -10.252 1.00 0.00 C ATOM 69 CD GLU A 6 33.100 -12.195 -9.983 1.00 0.00 C ATOM 70 OE1 GLU A 6 33.500 -11.990 -8.817 1.00 0.00 O ATOM 71 OE2 GLU A 6 33.880 -12.391 -10.938 1.00 0.00 O ATOM 0 H GLU A 6 30.050 -11.107 -12.224 1.00 0.00 H new ATOM 0 HA GLU A 6 28.984 -11.779 -9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.395 -10.111 -10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 6 31.093 -10.653 -8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 6 31.153 -13.007 -9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 6 31.442 -12.470 -11.299 1.00 0.00 H new ATOM 78 N GLU A 7 29.075 -8.551 -10.354 1.00 0.00 N ATOM 79 CA GLU A 7 28.490 -7.268 -9.982 1.00 0.00 C ATOM 80 C GLU A 7 26.975 -7.314 -10.148 1.00 0.00 C ATOM 81 O GLU A 7 26.232 -6.781 -9.326 1.00 0.00 O ATOM 82 CB GLU A 7 29.076 -6.145 -10.837 1.00 0.00 C ATOM 83 CG GLU A 7 28.846 -4.762 -10.257 1.00 0.00 C ATOM 84 CD GLU A 7 29.357 -3.657 -11.158 1.00 0.00 C ATOM 85 OE1 GLU A 7 30.584 -3.411 -11.174 1.00 0.00 O ATOM 86 OE2 GLU A 7 28.536 -3.026 -11.852 1.00 0.00 O ATOM 0 H GLU A 7 29.717 -8.508 -11.145 1.00 0.00 H new ATOM 0 HA GLU A 7 28.727 -7.070 -8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 7 30.147 -6.308 -10.953 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.637 -6.190 -11.834 1.00 0.00 H new ATOM 0 HG2 GLU A 7 27.780 -4.619 -10.082 1.00 0.00 H new ATOM 0 HG3 GLU A 7 29.340 -4.692 -9.288 1.00 0.00 H new ATOM 93 N LEU A 8 26.535 -7.976 -11.212 1.00 0.00 N ATOM 94 CA LEU A 8 25.119 -8.147 -11.497 1.00 0.00 C ATOM 95 C LEU A 8 24.449 -8.908 -10.358 1.00 0.00 C ATOM 96 O LEU A 8 23.425 -8.483 -9.823 1.00 0.00 O ATOM 97 CB LEU A 8 24.969 -8.909 -12.821 1.00 0.00 C ATOM 98 CG LEU A 8 23.685 -8.642 -13.603 1.00 0.00 C ATOM 99 CD1 LEU A 8 23.830 -9.136 -15.036 1.00 0.00 C ATOM 100 CD2 LEU A 8 22.491 -9.312 -12.935 1.00 0.00 C ATOM 0 H LEU A 8 27.151 -8.408 -11.900 1.00 0.00 H new ATOM 0 HA LEU A 8 24.635 -7.174 -11.586 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.818 -8.661 -13.458 1.00 0.00 H new ATOM 0 HB3 LEU A 8 25.029 -9.977 -12.612 1.00 0.00 H new ATOM 0 HG LEU A 8 23.510 -7.566 -13.614 1.00 0.00 H new ATOM 0 HD11 LEU A 8 22.908 -8.940 -15.583 1.00 0.00 H new ATOM 0 HD12 LEU A 8 24.657 -8.615 -15.519 1.00 0.00 H new ATOM 0 HD13 LEU A 8 24.029 -10.208 -15.033 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.589 -9.107 -13.511 1.00 0.00 H new ATOM 0 HD22 LEU A 8 22.656 -10.389 -12.890 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.373 -8.921 -11.924 1.00 0.00 H new ATOM 112 N LYS A 9 25.057 -10.026 -9.990 1.00 0.00 N ATOM 113 CA LYS A 9 24.560 -10.877 -8.920 1.00 0.00 C ATOM 114 C LYS A 9 24.507 -10.117 -7.604 1.00 0.00 C ATOM 115 O LYS A 9 23.502 -10.150 -6.902 1.00 0.00 O ATOM 116 CB LYS A 9 25.467 -12.101 -8.779 1.00 0.00 C ATOM 117 CG LYS A 9 24.951 -13.166 -7.827 1.00 0.00 C ATOM 118 CD LYS A 9 25.958 -14.294 -7.684 1.00 0.00 C ATOM 119 CE LYS A 9 25.435 -15.417 -6.806 1.00 0.00 C ATOM 120 NZ LYS A 9 26.463 -16.472 -6.602 1.00 0.00 N ATOM 0 H LYS A 9 25.912 -10.369 -10.427 1.00 0.00 H new ATOM 0 HA LYS A 9 23.548 -11.197 -9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.606 -12.549 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.448 -11.772 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 9 24.753 -12.723 -6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 9 24.004 -13.562 -8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 9 26.202 -14.689 -8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.883 -13.903 -7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 9 25.129 -15.014 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 9 24.548 -15.855 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.074 -17.224 -5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.736 -16.873 -7.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.299 -16.058 -6.143 1.00 0.00 H new ATOM 134 N ALA A 10 25.593 -9.430 -7.285 1.00 0.00 N ATOM 135 CA ALA A 10 25.673 -8.656 -6.054 1.00 0.00 C ATOM 136 C ALA A 10 24.606 -7.567 -6.020 1.00 0.00 C ATOM 137 O ALA A 10 23.983 -7.323 -4.985 1.00 0.00 O ATOM 138 CB ALA A 10 27.058 -8.045 -5.904 1.00 0.00 C ATOM 0 H ALA A 10 26.433 -9.392 -7.862 1.00 0.00 H new ATOM 0 HA ALA A 10 25.493 -9.331 -5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 10 27.104 -7.469 -4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 10 27.805 -8.839 -5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 10 27.260 -7.389 -6.751 1.00 0.00 H new ATOM 144 N LYS A 11 24.396 -6.924 -7.161 1.00 0.00 N ATOM 145 CA LYS A 11 23.388 -5.879 -7.283 1.00 0.00 C ATOM 146 C LYS A 11 21.987 -6.455 -7.101 1.00 0.00 C ATOM 147 O LYS A 11 21.208 -5.969 -6.279 1.00 0.00 O ATOM 148 CB LYS A 11 23.498 -5.203 -8.654 1.00 0.00 C ATOM 149 CG LYS A 11 22.552 -4.027 -8.845 1.00 0.00 C ATOM 150 CD LYS A 11 22.869 -2.892 -7.892 1.00 0.00 C ATOM 151 CE LYS A 11 21.977 -1.691 -8.150 1.00 0.00 C ATOM 152 NZ LYS A 11 22.311 -0.545 -7.265 1.00 0.00 N ATOM 0 H LYS A 11 24.914 -7.109 -8.020 1.00 0.00 H new ATOM 0 HA LYS A 11 23.563 -5.140 -6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.522 -4.858 -8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 11 23.301 -5.944 -9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 11 22.619 -3.669 -9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 11 21.525 -4.357 -8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 11 22.739 -3.230 -6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 11 23.914 -2.602 -8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 11 22.075 -1.385 -9.191 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.936 -1.974 -7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 21.678 0.252 -7.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 22.193 -0.828 -6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 23.297 -0.256 -7.428 1.00 0.00 H new ATOM 166 N LEU A 12 21.682 -7.497 -7.868 1.00 0.00 N ATOM 167 CA LEU A 12 20.382 -8.155 -7.789 1.00 0.00 C ATOM 168 C LEU A 12 20.151 -8.713 -6.390 1.00 0.00 C ATOM 169 O LEU A 12 19.046 -8.637 -5.864 1.00 0.00 O ATOM 170 CB LEU A 12 20.280 -9.282 -8.822 1.00 0.00 C ATOM 171 CG LEU A 12 18.945 -10.040 -8.834 1.00 0.00 C ATOM 172 CD1 LEU A 12 17.799 -9.108 -9.196 1.00 0.00 C ATOM 173 CD2 LEU A 12 19.009 -11.209 -9.800 1.00 0.00 C ATOM 0 H LEU A 12 22.319 -7.905 -8.553 1.00 0.00 H new ATOM 0 HA LEU A 12 19.614 -7.412 -8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 12 20.449 -8.861 -9.813 1.00 0.00 H new ATOM 0 HB3 LEU A 12 21.083 -9.996 -8.638 1.00 0.00 H new ATOM 0 HG LEU A 12 18.762 -10.429 -7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 12 16.863 -9.666 -9.198 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.739 -8.303 -8.464 1.00 0.00 H new ATOM 0 HD13 LEU A 12 17.972 -8.686 -10.186 1.00 0.00 H new ATOM 0 HD21 LEU A 12 18.055 -11.736 -9.797 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.216 -10.840 -10.804 1.00 0.00 H new ATOM 0 HD23 LEU A 12 19.802 -11.891 -9.493 1.00 0.00 H new ATOM 185 N LYS A 13 21.203 -9.264 -5.796 1.00 0.00 N ATOM 186 CA LYS A 13 21.129 -9.807 -4.446 1.00 0.00 C ATOM 187 C LYS A 13 20.721 -8.726 -3.456 1.00 0.00 C ATOM 188 O LYS A 13 19.830 -8.928 -2.635 1.00 0.00 O ATOM 189 CB LYS A 13 22.482 -10.380 -4.029 1.00 0.00 C ATOM 190 CG LYS A 13 22.436 -11.154 -2.725 1.00 0.00 C ATOM 191 CD LYS A 13 23.830 -11.490 -2.229 1.00 0.00 C ATOM 192 CE LYS A 13 23.780 -12.287 -0.940 1.00 0.00 C ATOM 193 NZ LYS A 13 25.121 -12.414 -0.318 1.00 0.00 N ATOM 0 H LYS A 13 22.122 -9.346 -6.231 1.00 0.00 H new ATOM 0 HA LYS A 13 20.381 -10.600 -4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 13 22.849 -11.036 -4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 13 23.199 -9.565 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 13 21.912 -10.567 -1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 13 21.867 -12.073 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 13 24.362 -12.060 -2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 13 24.393 -10.570 -2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 13 23.099 -11.803 -0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 13 23.378 -13.280 -1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 25.045 -12.965 0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 25.764 -12.898 -0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 25.495 -11.468 -0.102 1.00 0.00 H new ATOM 207 N LYS A 14 21.382 -7.578 -3.547 1.00 0.00 N ATOM 208 CA LYS A 14 21.115 -6.465 -2.645 1.00 0.00 C ATOM 209 C LYS A 14 19.675 -5.985 -2.799 1.00 0.00 C ATOM 210 O LYS A 14 18.978 -5.752 -1.810 1.00 0.00 O ATOM 211 CB LYS A 14 22.090 -5.314 -2.910 1.00 0.00 C ATOM 212 CG LYS A 14 22.177 -4.326 -1.757 1.00 0.00 C ATOM 213 CD LYS A 14 23.302 -3.326 -1.959 1.00 0.00 C ATOM 214 CE LYS A 14 23.522 -2.474 -0.718 1.00 0.00 C ATOM 215 NZ LYS A 14 22.360 -1.591 -0.429 1.00 0.00 N ATOM 0 H LYS A 14 22.109 -7.394 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 14 21.257 -6.812 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 14 23.081 -5.723 -3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.781 -4.785 -3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 14 21.230 -3.794 -1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 14 22.335 -4.868 -0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 14 24.222 -3.857 -2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 14 23.069 -2.682 -2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 14 23.705 -3.123 0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 14 24.415 -1.864 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 22.561 -1.017 0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 22.190 -0.964 -1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 21.516 -2.173 -0.258 1.00 0.00 H new ATOM 229 N LEU A 15 19.234 -5.860 -4.047 1.00 0.00 N ATOM 230 CA LEU A 15 17.864 -5.464 -4.343 1.00 0.00 C ATOM 231 C LEU A 15 16.884 -6.517 -3.832 1.00 0.00 C ATOM 232 O LEU A 15 15.868 -6.192 -3.215 1.00 0.00 O ATOM 233 CB LEU A 15 17.684 -5.277 -5.854 1.00 0.00 C ATOM 234 CG LEU A 15 18.510 -4.150 -6.475 1.00 0.00 C ATOM 235 CD1 LEU A 15 18.348 -4.144 -7.987 1.00 0.00 C ATOM 236 CD2 LEU A 15 18.104 -2.805 -5.891 1.00 0.00 C ATOM 0 H LEU A 15 19.810 -6.028 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 15 17.660 -4.519 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.942 -6.211 -6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.630 -5.087 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 15 19.560 -4.323 -6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.942 -3.336 -8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.687 -5.097 -8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.298 -3.995 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.703 -2.015 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.049 -2.623 -6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.269 -2.811 -4.814 1.00 0.00 H new ATOM 248 N ASN A 16 17.215 -7.778 -4.086 1.00 0.00 N ATOM 249 CA ASN A 16 16.383 -8.908 -3.685 1.00 0.00 C ATOM 250 C ASN A 16 16.258 -8.979 -2.169 1.00 0.00 C ATOM 251 O ASN A 16 15.160 -9.116 -1.635 1.00 0.00 O ATOM 252 CB ASN A 16 16.986 -10.211 -4.217 1.00 0.00 C ATOM 253 CG ASN A 16 16.129 -11.425 -3.926 1.00 0.00 C ATOM 254 OD1 ASN A 16 16.257 -12.053 -2.876 1.00 0.00 O ATOM 255 ND2 ASN A 16 15.260 -11.772 -4.860 1.00 0.00 N ATOM 0 H ASN A 16 18.068 -8.047 -4.576 1.00 0.00 H new ATOM 0 HA ASN A 16 15.387 -8.769 -4.106 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.129 -10.125 -5.294 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.972 -10.355 -3.775 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.664 -12.588 -4.724 1.00 0.00 H new ATOM 0 HD22 ASN A 16 15.186 -11.223 -5.717 1.00 0.00 H new ATOM 262 N ALA A 17 17.391 -8.875 -1.483 1.00 0.00 N ATOM 263 CA ALA A 17 17.416 -8.942 -0.029 1.00 0.00 C ATOM 264 C ALA A 17 16.621 -7.799 0.588 1.00 0.00 C ATOM 265 O ALA A 17 15.852 -8.004 1.528 1.00 0.00 O ATOM 266 CB ALA A 17 18.849 -8.923 0.478 1.00 0.00 C ATOM 0 H ALA A 17 18.306 -8.744 -1.914 1.00 0.00 H new ATOM 0 HA ALA A 17 16.949 -9.879 0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 17 18.850 -8.974 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 17 19.389 -9.779 0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 17 19.336 -8.002 0.157 1.00 0.00 H new ATOM 272 N GLN A 18 16.796 -6.597 0.050 1.00 0.00 N ATOM 273 CA GLN A 18 16.085 -5.431 0.553 1.00 0.00 C ATOM 274 C GLN A 18 14.580 -5.606 0.363 1.00 0.00 C ATOM 275 O GLN A 18 13.795 -5.341 1.272 1.00 0.00 O ATOM 276 CB GLN A 18 16.563 -4.158 -0.148 1.00 0.00 C ATOM 277 CG GLN A 18 16.079 -2.884 0.520 1.00 0.00 C ATOM 278 CD GLN A 18 16.583 -1.633 -0.167 1.00 0.00 C ATOM 279 OE1 GLN A 18 17.667 -1.133 0.141 1.00 0.00 O ATOM 280 NE2 GLN A 18 15.795 -1.116 -1.095 1.00 0.00 N ATOM 0 H GLN A 18 17.422 -6.406 -0.732 1.00 0.00 H new ATOM 0 HA GLN A 18 16.297 -5.335 1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.653 -4.154 -0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.219 -4.171 -1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.989 -2.875 0.528 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.405 -2.878 1.560 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.906 -1.564 -1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.076 -0.269 -1.589 1.00 0.00 H new ATOM 289 N ALA A 19 14.191 -6.079 -0.817 1.00 0.00 N ATOM 290 CA ALA A 19 12.787 -6.314 -1.121 1.00 0.00 C ATOM 291 C ALA A 19 12.197 -7.374 -0.195 1.00 0.00 C ATOM 292 O ALA A 19 11.093 -7.217 0.321 1.00 0.00 O ATOM 293 CB ALA A 19 12.623 -6.730 -2.575 1.00 0.00 C ATOM 0 H ALA A 19 14.831 -6.307 -1.578 1.00 0.00 H new ATOM 0 HA ALA A 19 12.244 -5.383 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.568 -6.902 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.000 -5.940 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.184 -7.647 -2.757 1.00 0.00 H new ATOM 299 N THR A 20 12.952 -8.445 0.023 1.00 0.00 N ATOM 300 CA THR A 20 12.517 -9.527 0.896 1.00 0.00 C ATOM 301 C THR A 20 12.388 -9.041 2.345 1.00 0.00 C ATOM 302 O THR A 20 11.518 -9.496 3.090 1.00 0.00 O ATOM 303 CB THR A 20 13.490 -10.724 0.819 1.00 0.00 C ATOM 304 OG1 THR A 20 13.685 -11.105 -0.554 1.00 0.00 O ATOM 305 CG2 THR A 20 12.956 -11.916 1.601 1.00 0.00 C ATOM 0 H THR A 20 13.872 -8.586 -0.395 1.00 0.00 H new ATOM 0 HA THR A 20 11.537 -9.857 0.553 1.00 0.00 H new ATOM 0 HB THR A 20 14.439 -10.417 1.258 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.230 -10.428 -1.007 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.661 -12.744 1.529 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.829 -11.637 2.647 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.995 -12.221 1.187 1.00 0.00 H new ATOM 313 N ALA A 21 13.243 -8.099 2.731 1.00 0.00 N ATOM 314 CA ALA A 21 13.172 -7.499 4.058 1.00 0.00 C ATOM 315 C ALA A 21 11.897 -6.674 4.208 1.00 0.00 C ATOM 316 O ALA A 21 11.193 -6.776 5.212 1.00 0.00 O ATOM 317 CB ALA A 21 14.401 -6.641 4.320 1.00 0.00 C ATOM 0 H ALA A 21 13.993 -7.735 2.143 1.00 0.00 H new ATOM 0 HA ALA A 21 13.148 -8.300 4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.332 -6.201 5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.296 -7.259 4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.456 -5.847 3.575 1.00 0.00 H new ATOM 323 N LEU A 22 11.597 -5.866 3.196 1.00 0.00 N ATOM 324 CA LEU A 22 10.381 -5.055 3.192 1.00 0.00 C ATOM 325 C LEU A 22 9.135 -5.937 3.236 1.00 0.00 C ATOM 326 O LEU A 22 8.106 -5.535 3.777 1.00 0.00 O ATOM 327 CB LEU A 22 10.339 -4.138 1.961 1.00 0.00 C ATOM 328 CG LEU A 22 10.937 -2.736 2.153 1.00 0.00 C ATOM 329 CD1 LEU A 22 10.182 -1.976 3.233 1.00 0.00 C ATOM 330 CD2 LEU A 22 12.418 -2.811 2.491 1.00 0.00 C ATOM 0 H LEU A 22 12.179 -5.754 2.366 1.00 0.00 H new ATOM 0 HA LEU A 22 10.394 -4.433 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.869 -4.630 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.301 -4.030 1.647 1.00 0.00 H new ATOM 0 HG LEU A 22 10.834 -2.197 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.620 -0.985 3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.136 -1.877 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.249 -2.520 4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.813 -1.803 2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.552 -3.375 3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.951 -3.308 1.681 1.00 0.00 H new ATOM 342 N LYS A 23 9.246 -7.142 2.679 1.00 0.00 N ATOM 343 CA LYS A 23 8.154 -8.109 2.701 1.00 0.00 C ATOM 344 C LYS A 23 7.679 -8.373 4.130 1.00 0.00 C ATOM 345 O LYS A 23 6.488 -8.260 4.430 1.00 0.00 O ATOM 346 CB LYS A 23 8.595 -9.422 2.036 1.00 0.00 C ATOM 347 CG LYS A 23 7.628 -10.580 2.243 1.00 0.00 C ATOM 348 CD LYS A 23 8.109 -11.846 1.546 1.00 0.00 C ATOM 349 CE LYS A 23 7.332 -13.069 2.012 1.00 0.00 C ATOM 350 NZ LYS A 23 5.877 -12.947 1.739 1.00 0.00 N ATOM 0 H LYS A 23 10.087 -7.471 2.205 1.00 0.00 H new ATOM 0 HA LYS A 23 7.319 -7.689 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.717 -9.252 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.572 -9.705 2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.514 -10.773 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.644 -10.306 1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.999 -11.733 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.171 -11.991 1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.721 -13.956 1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.489 -13.211 3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.405 -13.846 1.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.476 -12.189 2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.730 -12.720 0.735 1.00 0.00 H new ATOM 364 N MET A 24 8.610 -8.711 5.012 1.00 0.00 N ATOM 365 CA MET A 24 8.257 -9.035 6.390 1.00 0.00 C ATOM 366 C MET A 24 7.922 -7.772 7.185 1.00 0.00 C ATOM 367 O MET A 24 7.090 -7.808 8.093 1.00 0.00 O ATOM 368 CB MET A 24 9.372 -9.838 7.077 1.00 0.00 C ATOM 369 CG MET A 24 10.706 -9.122 7.156 1.00 0.00 C ATOM 370 SD MET A 24 11.994 -10.151 7.891 1.00 0.00 S ATOM 371 CE MET A 24 13.378 -9.015 7.894 1.00 0.00 C ATOM 0 H MET A 24 9.607 -8.768 4.802 1.00 0.00 H new ATOM 0 HA MET A 24 7.365 -9.661 6.363 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.050 -10.092 8.087 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.509 -10.777 6.541 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.013 -8.819 6.155 1.00 0.00 H new ATOM 0 HG3 MET A 24 10.593 -8.211 7.744 1.00 0.00 H new ATOM 0 HE1 MET A 24 14.107 -9.332 8.640 1.00 0.00 H new ATOM 0 HE2 MET A 24 13.845 -9.008 6.909 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.025 -8.012 8.135 1.00 0.00 H new ATOM 381 N ASP A 25 8.546 -6.653 6.830 1.00 0.00 N ATOM 382 CA ASP A 25 8.265 -5.384 7.500 1.00 0.00 C ATOM 383 C ASP A 25 6.860 -4.896 7.174 1.00 0.00 C ATOM 384 O ASP A 25 6.131 -4.448 8.061 1.00 0.00 O ATOM 385 CB ASP A 25 9.296 -4.317 7.121 1.00 0.00 C ATOM 386 CG ASP A 25 10.481 -4.285 8.068 1.00 0.00 C ATOM 387 OD1 ASP A 25 10.416 -3.557 9.082 1.00 0.00 O ATOM 388 OD2 ASP A 25 11.485 -4.978 7.799 1.00 0.00 O ATOM 0 H ASP A 25 9.244 -6.597 6.089 1.00 0.00 H new ATOM 0 HA ASP A 25 8.332 -5.558 8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.651 -4.504 6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.815 -3.339 7.114 1.00 0.00 H new ATOM 393 N LEU A 26 6.473 -4.999 5.906 1.00 0.00 N ATOM 394 CA LEU A 26 5.125 -4.626 5.486 1.00 0.00 C ATOM 395 C LEU A 26 4.105 -5.518 6.181 1.00 0.00 C ATOM 396 O LEU A 26 3.049 -5.055 6.619 1.00 0.00 O ATOM 397 CB LEU A 26 4.984 -4.749 3.965 1.00 0.00 C ATOM 398 CG LEU A 26 3.626 -4.326 3.392 1.00 0.00 C ATOM 399 CD1 LEU A 26 3.365 -2.852 3.670 1.00 0.00 C ATOM 400 CD2 LEU A 26 3.565 -4.610 1.897 1.00 0.00 C ATOM 0 H LEU A 26 7.072 -5.337 5.153 1.00 0.00 H new ATOM 0 HA LEU A 26 4.943 -3.588 5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.761 -4.145 3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.171 -5.785 3.683 1.00 0.00 H new ATOM 0 HG LEU A 26 2.848 -4.910 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.397 -2.570 3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.364 -2.679 4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.147 -2.250 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.594 -4.303 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.352 -4.053 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.705 -5.677 1.723 1.00 0.00 H new ATOM 412 N HIS A 27 4.442 -6.798 6.288 1.00 0.00 N ATOM 413 CA HIS A 27 3.594 -7.761 6.974 1.00 0.00 C ATOM 414 C HIS A 27 3.343 -7.338 8.421 1.00 0.00 C ATOM 415 O HIS A 27 2.206 -7.354 8.891 1.00 0.00 O ATOM 416 CB HIS A 27 4.241 -9.149 6.939 1.00 0.00 C ATOM 417 CG HIS A 27 3.470 -10.201 7.680 1.00 0.00 C ATOM 418 ND1 HIS A 27 3.958 -10.853 8.790 1.00 0.00 N ATOM 419 CD2 HIS A 27 2.241 -10.718 7.457 1.00 0.00 C ATOM 420 CE1 HIS A 27 3.062 -11.721 9.217 1.00 0.00 C ATOM 421 NE2 HIS A 27 2.009 -11.661 8.425 1.00 0.00 N ATOM 0 H HIS A 27 5.301 -7.193 5.906 1.00 0.00 H new ATOM 0 HA HIS A 27 2.635 -7.798 6.458 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.354 -9.460 5.900 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.243 -9.082 7.362 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.565 -10.439 6.662 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.172 -12.372 10.072 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.163 -12.223 8.517 1.00 0.00 H new ATOM 430 N ASP A 28 4.409 -6.956 9.114 1.00 0.00 N ATOM 431 CA ASP A 28 4.308 -6.554 10.517 1.00 0.00 C ATOM 432 C ASP A 28 3.554 -5.234 10.655 1.00 0.00 C ATOM 433 O ASP A 28 2.819 -5.025 11.620 1.00 0.00 O ATOM 434 CB ASP A 28 5.697 -6.426 11.140 1.00 0.00 C ATOM 435 CG ASP A 28 5.632 -6.138 12.627 1.00 0.00 C ATOM 436 OD1 ASP A 28 5.408 -7.086 13.409 1.00 0.00 O ATOM 437 OD2 ASP A 28 5.807 -4.967 13.025 1.00 0.00 O ATOM 0 H ASP A 28 5.353 -6.915 8.731 1.00 0.00 H new ATOM 0 HA ASP A 28 3.752 -7.328 11.046 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.254 -7.348 10.974 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.246 -5.627 10.640 1.00 0.00 H new ATOM 442 N LEU A 29 3.736 -4.353 9.683 1.00 0.00 N ATOM 443 CA LEU A 29 3.043 -3.069 9.669 1.00 0.00 C ATOM 444 C LEU A 29 1.538 -3.276 9.529 1.00 0.00 C ATOM 445 O LEU A 29 0.749 -2.725 10.295 1.00 0.00 O ATOM 446 CB LEU A 29 3.556 -2.203 8.516 1.00 0.00 C ATOM 447 CG LEU A 29 2.922 -0.816 8.416 1.00 0.00 C ATOM 448 CD1 LEU A 29 3.328 0.042 9.603 1.00 0.00 C ATOM 449 CD2 LEU A 29 3.315 -0.150 7.108 1.00 0.00 C ATOM 0 H LEU A 29 4.360 -4.503 8.890 1.00 0.00 H new ATOM 0 HA LEU A 29 3.242 -2.561 10.613 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.634 -2.086 8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.383 -2.733 7.579 1.00 0.00 H new ATOM 0 HG LEU A 29 1.838 -0.926 8.433 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.867 1.026 9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.996 -0.433 10.526 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.413 0.149 9.620 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.856 0.837 7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.399 -0.050 7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.972 -0.759 6.272 1.00 0.00 H new ATOM 461 N ALA A 30 1.153 -4.087 8.548 1.00 0.00 N ATOM 462 CA ALA A 30 -0.253 -4.402 8.306 1.00 0.00 C ATOM 463 C ALA A 30 -0.849 -5.169 9.479 1.00 0.00 C ATOM 464 O ALA A 30 -2.060 -5.161 9.697 1.00 0.00 O ATOM 465 CB ALA A 30 -0.406 -5.199 7.020 1.00 0.00 C ATOM 0 H ALA A 30 1.800 -4.541 7.903 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.797 -3.463 8.202 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.459 -5.425 6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.025 -4.615 6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.157 -6.129 7.099 1.00 0.00 H new ATOM 471 N GLU A 31 0.006 -5.857 10.215 1.00 0.00 N ATOM 472 CA GLU A 31 -0.426 -6.618 11.373 1.00 0.00 C ATOM 473 C GLU A 31 -0.805 -5.676 12.517 1.00 0.00 C ATOM 474 O GLU A 31 -1.664 -5.995 13.342 1.00 0.00 O ATOM 475 CB GLU A 31 0.692 -7.563 11.814 1.00 0.00 C ATOM 476 CG GLU A 31 0.248 -8.605 12.819 1.00 0.00 C ATOM 477 CD GLU A 31 -0.886 -9.455 12.295 1.00 0.00 C ATOM 478 OE1 GLU A 31 -0.703 -10.119 11.254 1.00 0.00 O ATOM 479 OE2 GLU A 31 -1.971 -9.452 12.913 1.00 0.00 O ATOM 0 H GLU A 31 1.008 -5.904 10.030 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.304 -7.205 11.105 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.097 -8.067 10.936 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.502 -6.976 12.247 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.093 -9.245 13.073 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.065 -8.111 13.738 1.00 0.00 H new ATOM 486 N ASP A 32 -0.183 -4.503 12.539 1.00 0.00 N ATOM 487 CA ASP A 32 -0.402 -3.531 13.606 1.00 0.00 C ATOM 488 C ASP A 32 -1.423 -2.476 13.169 1.00 0.00 C ATOM 489 O ASP A 32 -1.440 -1.366 13.682 1.00 0.00 O ATOM 490 CB ASP A 32 0.936 -2.876 13.991 1.00 0.00 C ATOM 491 CG ASP A 32 0.860 -2.016 15.246 1.00 0.00 C ATOM 492 OD1 ASP A 32 0.475 -2.541 16.315 1.00 0.00 O ATOM 493 OD2 ASP A 32 1.205 -0.816 15.176 1.00 0.00 O ATOM 0 H ASP A 32 0.481 -4.200 11.826 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.805 -4.043 14.480 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.682 -3.656 14.141 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.281 -2.261 13.160 1.00 0.00 H new ATOM 498 N LEU A 33 -2.292 -2.866 12.234 1.00 0.00 N ATOM 499 CA LEU A 33 -3.360 -2.006 11.699 1.00 0.00 C ATOM 500 C LEU A 33 -4.161 -1.267 12.791 1.00 0.00 C ATOM 501 O LEU A 33 -4.035 -1.569 13.981 1.00 0.00 O ATOM 502 CB LEU A 33 -4.253 -2.790 10.740 1.00 0.00 C ATOM 503 CG LEU A 33 -3.785 -2.742 9.281 1.00 0.00 C ATOM 504 CD1 LEU A 33 -4.747 -3.504 8.383 1.00 0.00 C ATOM 505 CD2 LEU A 33 -3.639 -1.293 8.811 1.00 0.00 C ATOM 0 H LEU A 33 -2.277 -3.798 11.820 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.875 -1.213 11.131 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.294 -3.830 11.065 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.268 -2.397 10.800 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.809 -3.222 9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.396 -3.458 7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.796 -4.545 8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.739 -3.057 8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.306 -1.279 7.773 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.601 -0.786 8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.906 -0.780 9.434 1.00 0.00 H new ATOM 517 N PRO A 34 -5.087 -0.352 12.398 1.00 0.00 N ATOM 518 CA PRO A 34 -5.369 0.912 13.052 1.00 0.00 C ATOM 519 C PRO A 34 -4.290 1.500 13.975 1.00 0.00 C ATOM 520 O PRO A 34 -4.578 2.352 14.813 1.00 0.00 O ATOM 521 CB PRO A 34 -6.691 0.540 13.692 1.00 0.00 C ATOM 522 CG PRO A 34 -7.361 -0.233 12.566 1.00 0.00 C ATOM 523 CD PRO A 34 -6.249 -0.598 11.569 1.00 0.00 C ATOM 0 HA PRO A 34 -5.397 1.771 12.382 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.558 -0.069 14.586 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.266 1.418 13.987 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.850 -1.129 12.948 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.131 0.370 12.085 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.312 -1.633 11.234 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.266 0.028 10.677 1.00 0.00 H new ATOM 531 N THR A 35 -3.054 1.052 13.806 1.00 0.00 N ATOM 532 CA THR A 35 -1.896 1.747 14.335 1.00 0.00 C ATOM 533 C THR A 35 -0.801 1.733 13.273 1.00 0.00 C ATOM 534 O THR A 35 -0.760 0.837 12.430 1.00 0.00 O ATOM 535 CB THR A 35 -1.365 1.099 15.622 1.00 0.00 C ATOM 536 OG1 THR A 35 -2.457 0.574 16.393 1.00 0.00 O ATOM 537 CG2 THR A 35 -0.600 2.113 16.455 1.00 0.00 C ATOM 0 H THR A 35 -2.829 0.197 13.298 1.00 0.00 H new ATOM 0 HA THR A 35 -2.193 2.766 14.584 1.00 0.00 H new ATOM 0 HB THR A 35 -0.691 0.289 15.345 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.111 0.161 17.211 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.232 1.635 17.363 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.243 2.496 15.879 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.261 2.937 16.722 1.00 0.00 H new ATOM 545 N GLY A 36 0.054 2.737 13.286 1.00 0.00 N ATOM 546 CA GLY A 36 1.111 2.829 12.292 1.00 0.00 C ATOM 547 C GLY A 36 0.580 2.954 10.873 1.00 0.00 C ATOM 548 O GLY A 36 1.332 2.813 9.908 1.00 0.00 O ATOM 0 H GLY A 36 0.040 3.496 13.967 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.740 3.691 12.516 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.745 1.945 12.361 1.00 0.00 H new ATOM 552 N TRP A 37 -0.718 3.226 10.756 1.00 0.00 N ATOM 553 CA TRP A 37 -1.379 3.385 9.464 1.00 0.00 C ATOM 554 C TRP A 37 -0.698 4.495 8.656 1.00 0.00 C ATOM 555 O TRP A 37 -0.620 4.436 7.430 1.00 0.00 O ATOM 556 CB TRP A 37 -2.867 3.698 9.705 1.00 0.00 C ATOM 557 CG TRP A 37 -3.743 3.594 8.491 1.00 0.00 C ATOM 558 CD1 TRP A 37 -3.675 4.342 7.352 1.00 0.00 C ATOM 559 CD2 TRP A 37 -4.850 2.705 8.319 1.00 0.00 C ATOM 560 NE1 TRP A 37 -4.653 3.951 6.471 1.00 0.00 N ATOM 561 CE2 TRP A 37 -5.390 2.953 7.046 1.00 0.00 C ATOM 562 CE3 TRP A 37 -5.433 1.717 9.115 1.00 0.00 C ATOM 563 CZ2 TRP A 37 -6.481 2.248 6.552 1.00 0.00 C ATOM 564 CZ3 TRP A 37 -6.519 1.021 8.623 1.00 0.00 C ATOM 565 CH2 TRP A 37 -7.033 1.287 7.352 1.00 0.00 C ATOM 0 H TRP A 37 -1.341 3.342 11.555 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.301 2.464 8.886 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.247 3.018 10.468 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -2.950 4.707 10.108 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.956 5.127 7.170 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.805 4.341 5.541 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.041 1.501 10.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.879 2.453 5.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.979 0.257 9.232 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.882 0.723 6.995 1.00 0.00 H new ATOM 576 N ASN A 38 -0.179 5.491 9.366 1.00 0.00 N ATOM 577 CA ASN A 38 0.553 6.594 8.746 1.00 0.00 C ATOM 578 C ASN A 38 1.788 6.084 7.989 1.00 0.00 C ATOM 579 O ASN A 38 2.177 6.646 6.966 1.00 0.00 O ATOM 580 CB ASN A 38 0.969 7.604 9.822 1.00 0.00 C ATOM 581 CG ASN A 38 1.666 8.830 9.263 1.00 0.00 C ATOM 582 OD1 ASN A 38 1.435 9.239 8.121 1.00 0.00 O ATOM 583 ND2 ASN A 38 2.522 9.429 10.074 1.00 0.00 N ATOM 0 H ASN A 38 -0.252 5.558 10.381 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.102 7.082 8.024 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.084 7.919 10.375 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.631 7.112 10.534 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.021 10.263 9.763 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.683 9.057 11.010 1.00 0.00 H new ATOM 590 N ARG A 39 2.372 4.992 8.476 1.00 0.00 N ATOM 591 CA ARG A 39 3.595 4.443 7.895 1.00 0.00 C ATOM 592 C ARG A 39 3.306 3.569 6.676 1.00 0.00 C ATOM 593 O ARG A 39 4.233 3.162 5.970 1.00 0.00 O ATOM 594 CB ARG A 39 4.351 3.611 8.928 1.00 0.00 C ATOM 595 CG ARG A 39 5.437 4.373 9.669 1.00 0.00 C ATOM 596 CD ARG A 39 6.174 3.463 10.637 1.00 0.00 C ATOM 597 NE ARG A 39 7.436 4.038 11.088 1.00 0.00 N ATOM 598 CZ ARG A 39 8.402 3.337 11.677 1.00 0.00 C ATOM 599 NH1 ARG A 39 8.235 2.039 11.907 1.00 0.00 N ATOM 600 NH2 ARG A 39 9.535 3.935 12.020 1.00 0.00 N ATOM 0 H ARG A 39 2.016 4.468 9.275 1.00 0.00 H new ATOM 0 HA ARG A 39 4.202 5.291 7.579 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.639 3.219 9.654 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.801 2.754 8.428 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.142 4.797 8.954 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.995 5.207 10.213 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.539 3.265 11.500 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.366 2.504 10.156 1.00 0.00 H new ATOM 0 HE ARG A 39 7.587 5.036 10.944 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.367 1.580 11.632 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.975 1.502 12.358 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.664 4.929 11.832 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.277 3.401 12.472 1.00 0.00 H new ATOM 614 N ILE A 40 2.030 3.283 6.435 1.00 0.00 N ATOM 615 CA ILE A 40 1.631 2.406 5.335 1.00 0.00 C ATOM 616 C ILE A 40 2.208 2.880 4.004 1.00 0.00 C ATOM 617 O ILE A 40 2.828 2.103 3.281 1.00 0.00 O ATOM 618 CB ILE A 40 0.088 2.297 5.232 1.00 0.00 C ATOM 619 CG1 ILE A 40 -0.451 1.440 6.380 1.00 0.00 C ATOM 620 CG2 ILE A 40 -0.345 1.725 3.886 1.00 0.00 C ATOM 621 CD1 ILE A 40 -1.954 1.259 6.356 1.00 0.00 C ATOM 0 H ILE A 40 1.252 3.646 6.987 1.00 0.00 H new ATOM 0 HA ILE A 40 2.036 1.418 5.554 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.329 3.301 5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.024 0.460 6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.165 1.897 7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.433 1.663 3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.008 2.374 3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.079 0.729 3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.260 0.641 7.200 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.439 2.233 6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.247 0.773 5.425 1.00 0.00 H new ATOM 633 N MET A 41 2.042 4.165 3.708 1.00 0.00 N ATOM 634 CA MET A 41 2.460 4.711 2.417 1.00 0.00 C ATOM 635 C MET A 41 3.966 4.623 2.227 1.00 0.00 C ATOM 636 O MET A 41 4.450 4.537 1.102 1.00 0.00 O ATOM 637 CB MET A 41 2.012 6.167 2.260 1.00 0.00 C ATOM 638 CG MET A 41 0.502 6.346 2.246 1.00 0.00 C ATOM 639 SD MET A 41 -0.320 5.386 0.959 1.00 0.00 S ATOM 640 CE MET A 41 0.441 6.062 -0.512 1.00 0.00 C ATOM 0 H MET A 41 1.623 4.847 4.340 1.00 0.00 H new ATOM 0 HA MET A 41 1.978 4.103 1.651 1.00 0.00 H new ATOM 0 HB2 MET A 41 2.431 6.756 3.076 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.425 6.567 1.334 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.100 6.057 3.217 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.270 7.402 2.106 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.087 5.699 -1.394 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.390 7.150 -0.481 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.484 5.749 -0.559 1.00 0.00 H new ATOM 650 N GLU A 42 4.711 4.643 3.323 1.00 0.00 N ATOM 651 CA GLU A 42 6.163 4.594 3.235 1.00 0.00 C ATOM 652 C GLU A 42 6.632 3.184 2.926 1.00 0.00 C ATOM 653 O GLU A 42 7.267 2.940 1.897 1.00 0.00 O ATOM 654 CB GLU A 42 6.814 5.074 4.530 1.00 0.00 C ATOM 655 CG GLU A 42 8.331 5.131 4.443 1.00 0.00 C ATOM 656 CD GLU A 42 8.983 5.471 5.763 1.00 0.00 C ATOM 657 OE1 GLU A 42 9.140 4.560 6.599 1.00 0.00 O ATOM 658 OE2 GLU A 42 9.361 6.642 5.960 1.00 0.00 O ATOM 0 H GLU A 42 4.340 4.692 4.272 1.00 0.00 H new ATOM 0 HA GLU A 42 6.464 5.260 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.432 6.064 4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.526 4.408 5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.706 4.169 4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.620 5.873 3.699 1.00 0.00 H new ATOM 665 N VAL A 43 6.303 2.263 3.821 1.00 0.00 N ATOM 666 CA VAL A 43 6.724 0.876 3.693 1.00 0.00 C ATOM 667 C VAL A 43 6.207 0.258 2.393 1.00 0.00 C ATOM 668 O VAL A 43 6.945 -0.445 1.699 1.00 0.00 O ATOM 669 CB VAL A 43 6.253 0.035 4.902 1.00 0.00 C ATOM 670 CG1 VAL A 43 6.740 -1.400 4.789 1.00 0.00 C ATOM 671 CG2 VAL A 43 6.739 0.660 6.207 1.00 0.00 C ATOM 0 H VAL A 43 5.741 2.455 4.650 1.00 0.00 H new ATOM 0 HA VAL A 43 7.814 0.870 3.670 1.00 0.00 H new ATOM 0 HB VAL A 43 5.163 0.025 4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.395 -1.970 5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.345 -1.847 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.829 -1.413 4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.399 0.056 7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.828 0.702 6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.337 1.669 6.299 1.00 0.00 H new ATOM 681 N ALA A 44 4.960 0.552 2.041 1.00 0.00 N ATOM 682 CA ALA A 44 4.360 -0.018 0.841 1.00 0.00 C ATOM 683 C ALA A 44 5.068 0.474 -0.417 1.00 0.00 C ATOM 684 O ALA A 44 5.328 -0.307 -1.333 1.00 0.00 O ATOM 685 CB ALA A 44 2.879 0.311 0.770 1.00 0.00 C ATOM 0 H ALA A 44 4.349 1.178 2.566 1.00 0.00 H new ATOM 0 HA ALA A 44 4.476 -1.100 0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.452 -0.125 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.373 -0.099 1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.747 1.393 0.748 1.00 0.00 H new ATOM 691 N GLU A 45 5.400 1.763 -0.446 1.00 0.00 N ATOM 692 CA GLU A 45 6.048 2.354 -1.610 1.00 0.00 C ATOM 693 C GLU A 45 7.416 1.723 -1.840 1.00 0.00 C ATOM 694 O GLU A 45 7.753 1.338 -2.961 1.00 0.00 O ATOM 695 CB GLU A 45 6.191 3.866 -1.434 1.00 0.00 C ATOM 696 CG GLU A 45 6.642 4.583 -2.695 1.00 0.00 C ATOM 697 CD GLU A 45 6.768 6.078 -2.503 1.00 0.00 C ATOM 698 OE1 GLU A 45 7.851 6.544 -2.095 1.00 0.00 O ATOM 699 OE2 GLU A 45 5.784 6.800 -2.774 1.00 0.00 O ATOM 0 H GLU A 45 5.231 2.414 0.321 1.00 0.00 H new ATOM 0 HA GLU A 45 5.423 2.160 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.234 4.279 -1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.907 4.065 -0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.603 4.179 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.931 4.382 -3.496 1.00 0.00 H new ATOM 706 N LYS A 46 8.194 1.607 -0.765 1.00 0.00 N ATOM 707 CA LYS A 46 9.527 1.016 -0.843 1.00 0.00 C ATOM 708 C LYS A 46 9.458 -0.444 -1.273 1.00 0.00 C ATOM 709 O LYS A 46 10.266 -0.898 -2.085 1.00 0.00 O ATOM 710 CB LYS A 46 10.245 1.132 0.498 1.00 0.00 C ATOM 711 CG LYS A 46 10.536 2.563 0.901 1.00 0.00 C ATOM 712 CD LYS A 46 11.332 2.604 2.186 1.00 0.00 C ATOM 713 CE LYS A 46 11.576 4.029 2.653 1.00 0.00 C ATOM 714 NZ LYS A 46 12.425 4.076 3.872 1.00 0.00 N ATOM 0 H LYS A 46 7.924 1.915 0.169 1.00 0.00 H new ATOM 0 HA LYS A 46 10.091 1.568 -1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.636 0.661 1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.182 0.578 0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.090 3.064 0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.601 3.108 1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.799 2.054 2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.288 2.101 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.056 4.595 1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.621 4.513 2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.568 5.066 4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.956 3.557 4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.346 3.638 3.670 1.00 0.00 H new ATOM 728 N THR A 47 8.489 -1.172 -0.731 1.00 0.00 N ATOM 729 CA THR A 47 8.295 -2.570 -1.086 1.00 0.00 C ATOM 730 C THR A 47 7.977 -2.709 -2.573 1.00 0.00 C ATOM 731 O THR A 47 8.547 -3.555 -3.268 1.00 0.00 O ATOM 732 CB THR A 47 7.156 -3.198 -0.256 1.00 0.00 C ATOM 733 OG1 THR A 47 7.393 -2.984 1.141 1.00 0.00 O ATOM 734 CG2 THR A 47 7.042 -4.692 -0.529 1.00 0.00 C ATOM 0 H THR A 47 7.825 -0.816 -0.043 1.00 0.00 H new ATOM 0 HA THR A 47 9.223 -3.098 -0.867 1.00 0.00 H new ATOM 0 HB THR A 47 6.221 -2.719 -0.547 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.140 -2.068 1.379 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.232 -5.110 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.834 -4.854 -1.587 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.979 -5.183 -0.264 1.00 0.00 H new ATOM 742 N TYR A 48 7.085 -1.856 -3.060 1.00 0.00 N ATOM 743 CA TYR A 48 6.693 -1.885 -4.460 1.00 0.00 C ATOM 744 C TYR A 48 7.876 -1.538 -5.356 1.00 0.00 C ATOM 745 O TYR A 48 8.193 -2.274 -6.284 1.00 0.00 O ATOM 746 CB TYR A 48 5.540 -0.912 -4.715 1.00 0.00 C ATOM 747 CG TYR A 48 4.990 -0.972 -6.124 1.00 0.00 C ATOM 748 CD1 TYR A 48 3.991 -1.875 -6.458 1.00 0.00 C ATOM 749 CD2 TYR A 48 5.465 -0.122 -7.121 1.00 0.00 C ATOM 750 CE1 TYR A 48 3.482 -1.937 -7.741 1.00 0.00 C ATOM 751 CE2 TYR A 48 4.959 -0.178 -8.406 1.00 0.00 C ATOM 752 CZ TYR A 48 3.968 -1.086 -8.711 1.00 0.00 C ATOM 753 OH TYR A 48 3.461 -1.143 -9.989 1.00 0.00 O ATOM 0 H TYR A 48 6.621 -1.137 -2.506 1.00 0.00 H new ATOM 0 HA TYR A 48 6.359 -2.895 -4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.735 -1.125 -4.011 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.882 0.103 -4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.604 -2.542 -5.701 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.241 0.592 -6.886 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.707 -2.649 -7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.339 0.487 -9.168 1.00 0.00 H new ATOM 0 HH TYR A 48 3.911 -0.476 -10.549 1.00 0.00 H new ATOM 763 N GLU A 49 8.527 -0.418 -5.061 1.00 0.00 N ATOM 764 CA GLU A 49 9.663 0.050 -5.842 1.00 0.00 C ATOM 765 C GLU A 49 10.780 -0.988 -5.900 1.00 0.00 C ATOM 766 O GLU A 49 11.382 -1.197 -6.950 1.00 0.00 O ATOM 767 CB GLU A 49 10.191 1.356 -5.253 1.00 0.00 C ATOM 768 CG GLU A 49 9.441 2.590 -5.728 1.00 0.00 C ATOM 769 CD GLU A 49 9.612 2.832 -7.214 1.00 0.00 C ATOM 770 OE1 GLU A 49 10.633 3.431 -7.610 1.00 0.00 O ATOM 771 OE2 GLU A 49 8.726 2.429 -7.996 1.00 0.00 O ATOM 0 H GLU A 49 8.283 0.187 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 49 9.320 0.219 -6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.133 1.303 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.245 1.461 -5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.381 2.478 -5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.795 3.462 -5.177 1.00 0.00 H new ATOM 778 N ALA A 50 11.044 -1.643 -4.777 1.00 0.00 N ATOM 779 CA ALA A 50 12.098 -2.645 -4.712 1.00 0.00 C ATOM 780 C ALA A 50 11.789 -3.831 -5.618 1.00 0.00 C ATOM 781 O ALA A 50 12.628 -4.234 -6.415 1.00 0.00 O ATOM 782 CB ALA A 50 12.309 -3.107 -3.278 1.00 0.00 C ATOM 0 H ALA A 50 10.543 -1.498 -3.900 1.00 0.00 H new ATOM 0 HA ALA A 50 13.020 -2.185 -5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.101 -3.856 -3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.593 -2.256 -2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.385 -3.541 -2.896 1.00 0.00 H new ATOM 788 N TYR A 51 10.582 -4.376 -5.509 1.00 0.00 N ATOM 789 CA TYR A 51 10.185 -5.504 -6.345 1.00 0.00 C ATOM 790 C TYR A 51 10.025 -5.077 -7.802 1.00 0.00 C ATOM 791 O TYR A 51 10.330 -5.841 -8.719 1.00 0.00 O ATOM 792 CB TYR A 51 8.892 -6.136 -5.826 1.00 0.00 C ATOM 793 CG TYR A 51 9.099 -7.066 -4.651 1.00 0.00 C ATOM 794 CD1 TYR A 51 9.830 -8.239 -4.796 1.00 0.00 C ATOM 795 CD2 TYR A 51 8.565 -6.776 -3.401 1.00 0.00 C ATOM 796 CE1 TYR A 51 10.025 -9.095 -3.730 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.756 -7.627 -2.329 1.00 0.00 C ATOM 798 CZ TYR A 51 9.485 -8.786 -2.500 1.00 0.00 C ATOM 799 OH TYR A 51 9.677 -9.643 -1.441 1.00 0.00 O ATOM 0 H TYR A 51 9.866 -4.058 -4.855 1.00 0.00 H new ATOM 0 HA TYR A 51 10.977 -6.251 -6.296 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.202 -5.344 -5.534 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.417 -6.689 -6.637 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.253 -8.485 -5.759 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.992 -5.871 -3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.597 -10.002 -3.859 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.337 -7.386 -1.363 1.00 0.00 H new ATOM 0 HH TYR A 51 10.532 -10.110 -1.549 1.00 0.00 H new ATOM 809 N ARG A 52 9.561 -3.852 -8.004 1.00 0.00 N ATOM 810 CA ARG A 52 9.433 -3.280 -9.338 1.00 0.00 C ATOM 811 C ARG A 52 10.796 -3.223 -10.021 1.00 0.00 C ATOM 812 O ARG A 52 10.986 -3.769 -11.109 1.00 0.00 O ATOM 813 CB ARG A 52 8.836 -1.876 -9.235 1.00 0.00 C ATOM 814 CG ARG A 52 8.763 -1.134 -10.554 1.00 0.00 C ATOM 815 CD ARG A 52 8.247 0.280 -10.362 1.00 0.00 C ATOM 816 NE ARG A 52 8.218 1.027 -11.617 1.00 0.00 N ATOM 817 CZ ARG A 52 8.538 2.313 -11.723 1.00 0.00 C ATOM 818 NH1 ARG A 52 8.899 3.000 -10.648 1.00 0.00 N ATOM 819 NH2 ARG A 52 8.489 2.910 -12.905 1.00 0.00 N ATOM 0 H ARG A 52 9.264 -3.229 -7.253 1.00 0.00 H new ATOM 0 HA ARG A 52 8.773 -3.909 -9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.832 -1.950 -8.817 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.431 -1.291 -8.534 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.752 -1.104 -11.012 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.110 -1.672 -11.241 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.244 0.245 -9.938 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.879 0.802 -9.644 1.00 0.00 H new ATOM 0 HE ARG A 52 7.935 0.532 -12.463 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.932 2.542 -9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.144 3.987 -10.732 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.206 2.383 -13.731 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.734 3.897 -12.989 1.00 0.00 H new ATOM 833 N GLN A 53 11.741 -2.575 -9.353 1.00 0.00 N ATOM 834 CA GLN A 53 13.105 -2.456 -9.851 1.00 0.00 C ATOM 835 C GLN A 53 13.789 -3.818 -9.922 1.00 0.00 C ATOM 836 O GLN A 53 14.647 -4.044 -10.777 1.00 0.00 O ATOM 837 CB GLN A 53 13.910 -1.506 -8.958 1.00 0.00 C ATOM 838 CG GLN A 53 14.032 -0.093 -9.515 1.00 0.00 C ATOM 839 CD GLN A 53 12.717 0.665 -9.519 1.00 0.00 C ATOM 840 OE1 GLN A 53 11.949 0.606 -10.480 1.00 0.00 O ATOM 841 NE2 GLN A 53 12.466 1.405 -8.450 1.00 0.00 N ATOM 0 H GLN A 53 11.585 -2.119 -8.454 1.00 0.00 H new ATOM 0 HA GLN A 53 13.062 -2.048 -10.861 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.440 -1.460 -7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.909 -1.917 -8.814 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.761 0.461 -8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.418 -0.143 -10.533 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.130 1.425 -7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.609 1.955 -8.401 1.00 0.00 H new ATOM 850 N LEU A 54 13.406 -4.715 -9.022 1.00 0.00 N ATOM 851 CA LEU A 54 13.946 -6.068 -8.999 1.00 0.00 C ATOM 852 C LEU A 54 13.586 -6.790 -10.294 1.00 0.00 C ATOM 853 O LEU A 54 14.452 -7.348 -10.967 1.00 0.00 O ATOM 854 CB LEU A 54 13.401 -6.836 -7.781 1.00 0.00 C ATOM 855 CG LEU A 54 14.121 -8.141 -7.406 1.00 0.00 C ATOM 856 CD1 LEU A 54 13.748 -8.543 -5.990 1.00 0.00 C ATOM 857 CD2 LEU A 54 13.767 -9.269 -8.370 1.00 0.00 C ATOM 0 H LEU A 54 12.718 -4.527 -8.293 1.00 0.00 H new ATOM 0 HA LEU A 54 15.032 -6.019 -8.916 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.432 -6.171 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.352 -7.068 -7.967 1.00 0.00 H new ATOM 0 HG LEU A 54 15.195 -7.965 -7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 54 14.260 -9.469 -5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.045 -7.755 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 54 12.670 -8.694 -5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.293 -10.177 -8.076 1.00 0.00 H new ATOM 0 HD22 LEU A 54 12.692 -9.447 -8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.063 -8.990 -9.381 1.00 0.00 H new ATOM 869 N ASP A 55 12.304 -6.765 -10.650 1.00 0.00 N ATOM 870 CA ASP A 55 11.840 -7.454 -11.848 1.00 0.00 C ATOM 871 C ASP A 55 12.348 -6.758 -13.105 1.00 0.00 C ATOM 872 O ASP A 55 12.654 -7.406 -14.096 1.00 0.00 O ATOM 873 CB ASP A 55 10.313 -7.552 -11.878 1.00 0.00 C ATOM 874 CG ASP A 55 9.814 -8.419 -13.024 1.00 0.00 C ATOM 875 OD1 ASP A 55 9.797 -9.660 -12.872 1.00 0.00 O ATOM 876 OD2 ASP A 55 9.430 -7.868 -14.076 1.00 0.00 O ATOM 0 H ASP A 55 11.574 -6.279 -10.130 1.00 0.00 H new ATOM 0 HA ASP A 55 12.245 -8.466 -11.822 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.959 -7.963 -10.933 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.888 -6.552 -11.970 1.00 0.00 H new ATOM 881 N GLU A 56 12.467 -5.445 -13.060 1.00 0.00 N ATOM 882 CA GLU A 56 13.023 -4.710 -14.187 1.00 0.00 C ATOM 883 C GLU A 56 14.507 -5.016 -14.358 1.00 0.00 C ATOM 884 O GLU A 56 15.035 -4.985 -15.469 1.00 0.00 O ATOM 885 CB GLU A 56 12.777 -3.212 -14.021 1.00 0.00 C ATOM 886 CG GLU A 56 11.444 -2.770 -14.608 1.00 0.00 C ATOM 887 CD GLU A 56 11.119 -1.313 -14.351 1.00 0.00 C ATOM 888 OE1 GLU A 56 11.828 -0.435 -14.883 1.00 0.00 O ATOM 889 OE2 GLU A 56 10.141 -1.042 -13.627 1.00 0.00 O ATOM 0 H GLU A 56 12.190 -4.868 -12.266 1.00 0.00 H new ATOM 0 HA GLU A 56 12.516 -5.035 -15.096 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.805 -2.958 -12.961 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.583 -2.659 -14.503 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.454 -2.947 -15.684 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.650 -3.389 -14.191 1.00 0.00 H new ATOM 896 N PHE A 57 15.169 -5.342 -13.259 1.00 0.00 N ATOM 897 CA PHE A 57 16.563 -5.746 -13.314 1.00 0.00 C ATOM 898 C PHE A 57 16.667 -7.189 -13.805 1.00 0.00 C ATOM 899 O PHE A 57 17.536 -7.520 -14.615 1.00 0.00 O ATOM 900 CB PHE A 57 17.209 -5.596 -11.933 1.00 0.00 C ATOM 901 CG PHE A 57 18.711 -5.593 -11.958 1.00 0.00 C ATOM 902 CD1 PHE A 57 19.401 -4.473 -12.395 1.00 0.00 C ATOM 903 CD2 PHE A 57 19.431 -6.697 -11.541 1.00 0.00 C ATOM 904 CE1 PHE A 57 20.783 -4.457 -12.417 1.00 0.00 C ATOM 905 CE2 PHE A 57 20.813 -6.689 -11.561 1.00 0.00 C ATOM 906 CZ PHE A 57 21.490 -5.568 -12.001 1.00 0.00 C ATOM 0 H PHE A 57 14.765 -5.335 -12.323 1.00 0.00 H new ATOM 0 HA PHE A 57 17.095 -5.102 -14.014 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.862 -4.668 -11.480 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.868 -6.410 -11.293 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.852 -3.602 -12.722 1.00 0.00 H new ATOM 0 HD2 PHE A 57 18.907 -7.576 -11.196 1.00 0.00 H new ATOM 0 HE1 PHE A 57 21.309 -3.578 -12.759 1.00 0.00 H new ATOM 0 HE2 PHE A 57 21.363 -7.558 -11.233 1.00 0.00 H new ATOM 0 HZ PHE A 57 22.570 -5.561 -12.020 1.00 0.00 H new ATOM 916 N ARG A 58 15.754 -8.039 -13.339 1.00 0.00 N ATOM 917 CA ARG A 58 15.750 -9.434 -13.734 1.00 0.00 C ATOM 918 C ARG A 58 15.308 -9.589 -15.190 1.00 0.00 C ATOM 919 O ARG A 58 15.766 -10.490 -15.884 1.00 0.00 O ATOM 920 CB ARG A 58 14.857 -10.261 -12.803 1.00 0.00 C ATOM 921 CG ARG A 58 13.377 -9.989 -12.940 1.00 0.00 C ATOM 922 CD ARG A 58 12.544 -10.988 -12.159 1.00 0.00 C ATOM 923 NE ARG A 58 12.593 -12.316 -12.759 1.00 0.00 N ATOM 924 CZ ARG A 58 11.535 -12.934 -13.283 1.00 0.00 C ATOM 925 NH1 ARG A 58 10.356 -12.324 -13.338 1.00 0.00 N ATOM 926 NH2 ARG A 58 11.668 -14.153 -13.779 1.00 0.00 N ATOM 0 H ARG A 58 15.012 -7.781 -12.689 1.00 0.00 H new ATOM 0 HA ARG A 58 16.769 -9.811 -13.650 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.037 -11.319 -12.994 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.154 -10.069 -11.772 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.159 -8.981 -12.588 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.097 -10.027 -13.993 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.905 -11.039 -11.132 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.510 -10.646 -12.117 1.00 0.00 H new ATOM 0 HE ARG A 58 13.490 -12.801 -12.779 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.255 -11.375 -12.977 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.551 -12.805 -13.741 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.577 -14.615 -13.759 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.862 -14.631 -14.181 1.00 0.00 H new ATOM 940 N LYS A 59 14.423 -8.702 -15.649 1.00 0.00 N ATOM 941 CA LYS A 59 14.009 -8.686 -17.052 1.00 0.00 C ATOM 942 C LYS A 59 15.215 -8.457 -17.950 1.00 0.00 C ATOM 943 O LYS A 59 15.379 -9.121 -18.974 1.00 0.00 O ATOM 944 CB LYS A 59 12.966 -7.588 -17.303 1.00 0.00 C ATOM 945 CG LYS A 59 11.556 -7.936 -16.844 1.00 0.00 C ATOM 946 CD LYS A 59 10.949 -9.049 -17.681 1.00 0.00 C ATOM 947 CE LYS A 59 9.472 -9.244 -17.367 1.00 0.00 C ATOM 948 NZ LYS A 59 9.245 -9.727 -15.978 1.00 0.00 N ATOM 0 H LYS A 59 13.981 -7.988 -15.071 1.00 0.00 H new ATOM 0 HA LYS A 59 13.561 -9.652 -17.284 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.286 -6.679 -16.794 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.942 -7.365 -18.370 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.579 -8.239 -15.797 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.925 -7.050 -16.905 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.069 -8.816 -18.739 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.487 -9.979 -17.496 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.945 -8.301 -17.511 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.045 -9.958 -18.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.476 -10.427 -15.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.115 -10.168 -15.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.985 -8.925 -15.369 1.00 0.00 H new ATOM 962 N SER A 60 16.059 -7.516 -17.548 1.00 0.00 N ATOM 963 CA SER A 60 17.255 -7.187 -18.307 1.00 0.00 C ATOM 964 C SER A 60 18.185 -8.395 -18.419 1.00 0.00 C ATOM 965 O SER A 60 18.580 -8.786 -19.517 1.00 0.00 O ATOM 966 CB SER A 60 17.983 -6.002 -17.662 1.00 0.00 C ATOM 967 OG SER A 60 19.029 -5.526 -18.490 1.00 0.00 O ATOM 0 H SER A 60 15.936 -6.966 -16.698 1.00 0.00 H new ATOM 0 HA SER A 60 16.952 -6.905 -19.315 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.273 -5.197 -17.471 1.00 0.00 H new ATOM 0 HB3 SER A 60 18.390 -6.304 -16.697 1.00 0.00 H new ATOM 0 HG SER A 60 19.474 -4.770 -18.053 1.00 0.00 H new ATOM 973 N THR A 61 18.505 -9.008 -17.290 1.00 0.00 N ATOM 974 CA THR A 61 19.435 -10.129 -17.287 1.00 0.00 C ATOM 975 C THR A 61 18.834 -11.365 -17.963 1.00 0.00 C ATOM 976 O THR A 61 19.559 -12.145 -18.578 1.00 0.00 O ATOM 977 CB THR A 61 19.923 -10.484 -15.864 1.00 0.00 C ATOM 978 OG1 THR A 61 20.809 -11.608 -15.914 1.00 0.00 O ATOM 979 CG2 THR A 61 18.764 -10.795 -14.932 1.00 0.00 C ATOM 0 H THR A 61 18.140 -8.753 -16.373 1.00 0.00 H new ATOM 0 HA THR A 61 20.301 -9.806 -17.865 1.00 0.00 H new ATOM 0 HB THR A 61 20.450 -9.614 -15.472 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.114 -11.825 -15.008 1.00 0.00 H new ATOM 0 HG21 THR A 61 19.149 -11.040 -13.942 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.110 -9.926 -14.863 1.00 0.00 H new ATOM 0 HG23 THR A 61 18.201 -11.643 -15.322 1.00 0.00 H new ATOM 1204 N ALA B 5 -28.409 14.704 6.591 1.00 0.00 N ATOM 1205 CA ALA B 5 -27.836 13.794 7.579 1.00 0.00 C ATOM 1206 C ALA B 5 -27.920 12.339 7.132 1.00 0.00 C ATOM 1207 O ALA B 5 -27.074 11.525 7.505 1.00 0.00 O ATOM 1208 CB ALA B 5 -28.529 13.979 8.920 1.00 0.00 C ATOM 0 HA ALA B 5 -26.779 14.039 7.682 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -28.095 13.296 9.651 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -28.396 15.006 9.259 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -29.593 13.767 8.812 1.00 0.00 H new ATOM 1214 N GLU B 6 -28.927 12.005 6.332 1.00 0.00 N ATOM 1215 CA GLU B 6 -29.075 10.667 5.823 1.00 0.00 C ATOM 1216 C GLU B 6 -27.934 10.329 4.880 1.00 0.00 C ATOM 1217 O GLU B 6 -27.349 9.249 4.948 1.00 0.00 O ATOM 1218 CB GLU B 6 -30.426 10.516 5.129 1.00 0.00 C ATOM 1219 CG GLU B 6 -30.749 11.565 4.071 1.00 0.00 C ATOM 1220 CD GLU B 6 -31.406 12.798 4.654 1.00 0.00 C ATOM 1221 OE1 GLU B 6 -30.690 13.659 5.190 1.00 0.00 O ATOM 1222 OE2 GLU B 6 -32.648 12.901 4.590 1.00 0.00 O ATOM 0 H GLU B 6 -29.652 12.655 6.027 1.00 0.00 H new ATOM 0 HA GLU B 6 -29.039 9.965 6.656 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -30.465 9.532 4.662 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -31.208 10.540 5.888 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -29.831 11.855 3.560 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -31.407 11.128 3.320 1.00 0.00 H new ATOM 1229 N GLU B 7 -27.617 11.275 4.016 1.00 0.00 N ATOM 1230 CA GLU B 7 -26.508 11.126 3.083 1.00 0.00 C ATOM 1231 C GLU B 7 -25.191 11.126 3.837 1.00 0.00 C ATOM 1232 O GLU B 7 -24.267 10.393 3.497 1.00 0.00 O ATOM 1233 CB GLU B 7 -26.518 12.254 2.060 1.00 0.00 C ATOM 1234 CG GLU B 7 -25.514 12.059 0.937 1.00 0.00 C ATOM 1235 CD GLU B 7 -25.634 13.108 -0.144 1.00 0.00 C ATOM 1236 OE1 GLU B 7 -25.066 14.205 0.020 1.00 0.00 O ATOM 1237 OE2 GLU B 7 -26.301 12.836 -1.165 1.00 0.00 O ATOM 0 H GLU B 7 -28.114 12.162 3.938 1.00 0.00 H new ATOM 0 HA GLU B 7 -26.621 10.177 2.559 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -27.517 12.339 1.633 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -26.307 13.196 2.567 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -24.505 12.082 1.349 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -25.655 11.072 0.497 1.00 0.00 H new ATOM 1244 N LEU B 8 -25.127 11.961 4.864 1.00 0.00 N ATOM 1245 CA LEU B 8 -23.970 12.040 5.733 1.00 0.00 C ATOM 1246 C LEU B 8 -23.699 10.688 6.390 1.00 0.00 C ATOM 1247 O LEU B 8 -22.573 10.184 6.370 1.00 0.00 O ATOM 1248 CB LEU B 8 -24.220 13.120 6.787 1.00 0.00 C ATOM 1249 CG LEU B 8 -24.242 14.557 6.257 1.00 0.00 C ATOM 1250 CD1 LEU B 8 -24.455 15.541 7.394 1.00 0.00 C ATOM 1251 CD2 LEU B 8 -22.956 14.879 5.511 1.00 0.00 C ATOM 0 H LEU B 8 -25.879 12.602 5.116 1.00 0.00 H new ATOM 0 HA LEU B 8 -23.088 12.303 5.149 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -25.173 12.915 7.275 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -23.447 13.044 7.552 1.00 0.00 H new ATOM 0 HG LEU B 8 -25.074 14.648 5.558 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -24.468 16.557 6.999 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -25.406 15.330 7.884 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -23.645 15.443 8.116 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -22.995 15.905 5.144 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -22.107 14.767 6.185 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -22.843 14.196 4.669 1.00 0.00 H new ATOM 1263 N LYS B 9 -24.746 10.100 6.949 1.00 0.00 N ATOM 1264 CA LYS B 9 -24.665 8.775 7.551 1.00 0.00 C ATOM 1265 C LYS B 9 -24.244 7.743 6.519 1.00 0.00 C ATOM 1266 O LYS B 9 -23.323 6.967 6.751 1.00 0.00 O ATOM 1267 CB LYS B 9 -26.025 8.392 8.137 1.00 0.00 C ATOM 1268 CG LYS B 9 -26.054 7.033 8.813 1.00 0.00 C ATOM 1269 CD LYS B 9 -27.481 6.618 9.125 1.00 0.00 C ATOM 1270 CE LYS B 9 -27.552 5.212 9.693 1.00 0.00 C ATOM 1271 NZ LYS B 9 -28.955 4.747 9.796 1.00 0.00 N ATOM 0 H LYS B 9 -25.672 10.524 6.999 1.00 0.00 H new ATOM 0 HA LYS B 9 -23.918 8.798 8.345 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -26.322 9.151 8.861 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -26.768 8.404 7.339 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -25.587 6.290 8.166 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -25.471 7.067 9.733 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -27.915 7.319 9.837 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -28.082 6.673 8.217 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -26.986 4.531 9.057 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -27.086 5.191 10.678 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -28.974 3.784 10.187 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -29.487 5.385 10.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -29.391 4.746 8.852 1.00 0.00 H new ATOM 1285 N ALA B 10 -24.923 7.752 5.382 1.00 0.00 N ATOM 1286 CA ALA B 10 -24.624 6.825 4.297 1.00 0.00 C ATOM 1287 C ALA B 10 -23.190 6.994 3.805 1.00 0.00 C ATOM 1288 O ALA B 10 -22.549 6.029 3.390 1.00 0.00 O ATOM 1289 CB ALA B 10 -25.608 7.028 3.159 1.00 0.00 C ATOM 0 H ALA B 10 -25.690 8.395 5.185 1.00 0.00 H new ATOM 0 HA ALA B 10 -24.724 5.808 4.676 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -25.379 6.332 2.352 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -26.621 6.847 3.518 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -25.531 8.051 2.790 1.00 0.00 H new ATOM 1295 N LYS B 11 -22.698 8.225 3.857 1.00 0.00 N ATOM 1296 CA LYS B 11 -21.332 8.532 3.454 1.00 0.00 C ATOM 1297 C LYS B 11 -20.337 7.886 4.409 1.00 0.00 C ATOM 1298 O LYS B 11 -19.449 7.145 3.984 1.00 0.00 O ATOM 1299 CB LYS B 11 -21.119 10.055 3.413 1.00 0.00 C ATOM 1300 CG LYS B 11 -19.801 10.485 2.788 1.00 0.00 C ATOM 1301 CD LYS B 11 -19.716 10.067 1.333 1.00 0.00 C ATOM 1302 CE LYS B 11 -18.509 10.685 0.650 1.00 0.00 C ATOM 1303 NZ LYS B 11 -18.587 12.169 0.607 1.00 0.00 N ATOM 0 H LYS B 11 -23.230 9.034 4.177 1.00 0.00 H new ATOM 0 HA LYS B 11 -21.166 8.128 2.455 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -21.938 10.510 2.856 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -21.170 10.445 4.430 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -19.697 11.567 2.864 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -18.973 10.045 3.343 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -19.657 8.981 1.268 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -20.625 10.368 0.812 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -17.603 10.386 1.177 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -18.430 10.297 -0.366 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -17.953 12.529 -0.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -19.564 12.459 0.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -18.299 12.559 1.527 1.00 0.00 H new ATOM 1317 N LEU B 12 -20.505 8.150 5.699 1.00 0.00 N ATOM 1318 CA LEU B 12 -19.643 7.565 6.719 1.00 0.00 C ATOM 1319 C LEU B 12 -19.767 6.046 6.703 1.00 0.00 C ATOM 1320 O LEU B 12 -18.774 5.325 6.826 1.00 0.00 O ATOM 1321 CB LEU B 12 -20.002 8.111 8.105 1.00 0.00 C ATOM 1322 CG LEU B 12 -19.178 7.544 9.267 1.00 0.00 C ATOM 1323 CD1 LEU B 12 -17.691 7.795 9.059 1.00 0.00 C ATOM 1324 CD2 LEU B 12 -19.641 8.147 10.582 1.00 0.00 C ATOM 0 H LEU B 12 -21.231 8.766 6.064 1.00 0.00 H new ATOM 0 HA LEU B 12 -18.611 7.837 6.498 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -19.884 9.194 8.092 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -21.056 7.908 8.296 1.00 0.00 H new ATOM 0 HG LEU B 12 -19.334 6.466 9.300 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -17.131 7.382 9.898 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -17.367 7.315 8.136 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -17.509 8.868 8.994 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -19.048 7.736 11.399 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -19.515 9.229 10.550 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -20.693 7.909 10.741 1.00 0.00 H new ATOM 1336 N LYS B 13 -20.996 5.575 6.537 1.00 0.00 N ATOM 1337 CA LYS B 13 -21.277 4.146 6.455 1.00 0.00 C ATOM 1338 C LYS B 13 -20.529 3.516 5.282 1.00 0.00 C ATOM 1339 O LYS B 13 -19.866 2.486 5.428 1.00 0.00 O ATOM 1340 CB LYS B 13 -22.782 3.934 6.293 1.00 0.00 C ATOM 1341 CG LYS B 13 -23.220 2.481 6.342 1.00 0.00 C ATOM 1342 CD LYS B 13 -24.735 2.369 6.317 1.00 0.00 C ATOM 1343 CE LYS B 13 -25.193 0.925 6.195 1.00 0.00 C ATOM 1344 NZ LYS B 13 -24.769 0.320 4.907 1.00 0.00 N ATOM 0 H LYS B 13 -21.822 6.168 6.456 1.00 0.00 H new ATOM 0 HA LYS B 13 -20.938 3.665 7.373 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -23.301 4.484 7.078 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -23.097 4.364 5.342 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -22.798 1.941 5.494 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -22.832 2.010 7.245 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -25.147 2.805 7.227 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -25.128 2.947 5.481 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -24.785 0.343 7.022 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -26.279 0.880 6.278 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -25.325 -0.540 4.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -24.925 1.000 4.136 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -23.759 0.076 4.954 1.00 0.00 H new ATOM 1358 N LYS B 14 -20.632 4.154 4.126 1.00 0.00 N ATOM 1359 CA LYS B 14 -20.008 3.650 2.909 1.00 0.00 C ATOM 1360 C LYS B 14 -18.484 3.657 3.031 1.00 0.00 C ATOM 1361 O LYS B 14 -17.811 2.727 2.580 1.00 0.00 O ATOM 1362 CB LYS B 14 -20.440 4.490 1.704 1.00 0.00 C ATOM 1363 CG LYS B 14 -20.245 3.782 0.377 1.00 0.00 C ATOM 1364 CD LYS B 14 -20.644 4.657 -0.797 1.00 0.00 C ATOM 1365 CE LYS B 14 -20.650 3.867 -2.096 1.00 0.00 C ATOM 1366 NZ LYS B 14 -19.325 3.254 -2.387 1.00 0.00 N ATOM 0 H LYS B 14 -21.145 5.027 4.004 1.00 0.00 H new ATOM 0 HA LYS B 14 -20.336 2.621 2.763 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -21.491 4.757 1.814 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -19.874 5.421 1.698 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -19.200 3.489 0.272 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -20.836 2.866 0.364 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -21.634 5.078 -0.620 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -19.952 5.495 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -21.406 3.084 -2.040 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -20.933 4.525 -2.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -19.335 2.842 -3.342 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -18.586 3.983 -2.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -19.127 2.508 -1.690 1.00 0.00 H new ATOM 1380 N LEU B 15 -17.946 4.711 3.640 1.00 0.00 N ATOM 1381 CA LEU B 15 -16.507 4.810 3.867 1.00 0.00 C ATOM 1382 C LEU B 15 -16.039 3.738 4.843 1.00 0.00 C ATOM 1383 O LEU B 15 -14.989 3.129 4.646 1.00 0.00 O ATOM 1384 CB LEU B 15 -16.127 6.200 4.395 1.00 0.00 C ATOM 1385 CG LEU B 15 -15.666 7.214 3.339 1.00 0.00 C ATOM 1386 CD1 LEU B 15 -14.433 6.703 2.607 1.00 0.00 C ATOM 1387 CD2 LEU B 15 -16.781 7.527 2.352 1.00 0.00 C ATOM 0 H LEU B 15 -18.484 5.507 3.984 1.00 0.00 H new ATOM 0 HA LEU B 15 -16.010 4.655 2.910 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -16.987 6.616 4.919 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -15.331 6.083 5.131 1.00 0.00 H new ATOM 0 HG LEU B 15 -15.405 8.138 3.855 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -14.122 7.436 1.863 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -13.625 6.546 3.321 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -14.668 5.761 2.112 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -16.424 8.248 1.617 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -17.085 6.612 1.845 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -17.633 7.946 2.887 1.00 0.00 H new ATOM 1399 N ASN B 16 -16.829 3.509 5.888 1.00 0.00 N ATOM 1400 CA ASN B 16 -16.513 2.498 6.894 1.00 0.00 C ATOM 1401 C ASN B 16 -16.392 1.127 6.237 1.00 0.00 C ATOM 1402 O ASN B 16 -15.409 0.406 6.439 1.00 0.00 O ATOM 1403 CB ASN B 16 -17.603 2.478 7.977 1.00 0.00 C ATOM 1404 CG ASN B 16 -17.203 1.706 9.227 1.00 0.00 C ATOM 1405 OD1 ASN B 16 -16.408 0.768 9.178 1.00 0.00 O ATOM 1406 ND2 ASN B 16 -17.761 2.096 10.362 1.00 0.00 N ATOM 0 H ASN B 16 -17.698 4.013 6.061 1.00 0.00 H new ATOM 0 HA ASN B 16 -15.560 2.746 7.361 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -17.846 3.503 8.255 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -18.509 2.037 7.561 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -17.536 1.615 11.233 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -18.416 2.878 10.366 1.00 0.00 H new ATOM 1413 N ALA B 17 -17.381 0.790 5.420 1.00 0.00 N ATOM 1414 CA ALA B 17 -17.395 -0.479 4.707 1.00 0.00 C ATOM 1415 C ALA B 17 -16.192 -0.598 3.780 1.00 0.00 C ATOM 1416 O ALA B 17 -15.505 -1.623 3.771 1.00 0.00 O ATOM 1417 CB ALA B 17 -18.687 -0.620 3.919 1.00 0.00 C ATOM 0 H ALA B 17 -18.190 1.383 5.234 1.00 0.00 H new ATOM 0 HA ALA B 17 -17.337 -1.284 5.439 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -18.688 -1.573 3.389 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -19.536 -0.584 4.602 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -18.765 0.195 3.200 1.00 0.00 H new ATOM 1423 N GLN B 18 -15.928 0.463 3.025 1.00 0.00 N ATOM 1424 CA GLN B 18 -14.827 0.475 2.067 1.00 0.00 C ATOM 1425 C GLN B 18 -13.487 0.291 2.773 1.00 0.00 C ATOM 1426 O GLN B 18 -12.669 -0.537 2.364 1.00 0.00 O ATOM 1427 CB GLN B 18 -14.832 1.785 1.276 1.00 0.00 C ATOM 1428 CG GLN B 18 -13.750 1.865 0.217 1.00 0.00 C ATOM 1429 CD GLN B 18 -13.854 3.116 -0.629 1.00 0.00 C ATOM 1430 OE1 GLN B 18 -13.269 4.150 -0.311 1.00 0.00 O ATOM 1431 NE2 GLN B 18 -14.609 3.031 -1.710 1.00 0.00 N ATOM 0 H GLN B 18 -16.464 1.330 3.058 1.00 0.00 H new ATOM 0 HA GLN B 18 -14.965 -0.358 1.377 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -15.804 1.906 0.798 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -14.711 2.617 1.969 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -12.773 1.837 0.699 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -13.813 0.989 -0.428 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -15.077 2.154 -1.938 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -14.724 3.843 -2.317 1.00 0.00 H new ATOM 1440 N ALA B 19 -13.276 1.049 3.843 1.00 0.00 N ATOM 1441 CA ALA B 19 -12.030 0.983 4.596 1.00 0.00 C ATOM 1442 C ALA B 19 -11.807 -0.415 5.165 1.00 0.00 C ATOM 1443 O ALA B 19 -10.683 -0.907 5.189 1.00 0.00 O ATOM 1444 CB ALA B 19 -12.027 2.017 5.714 1.00 0.00 C ATOM 0 H ALA B 19 -13.954 1.718 4.209 1.00 0.00 H new ATOM 0 HA ALA B 19 -11.211 1.205 3.912 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.089 1.953 6.266 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.130 3.015 5.287 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -12.860 1.824 6.390 1.00 0.00 H new ATOM 1450 N THR B 20 -12.886 -1.055 5.599 1.00 0.00 N ATOM 1451 CA THR B 20 -12.803 -2.397 6.161 1.00 0.00 C ATOM 1452 C THR B 20 -12.406 -3.417 5.089 1.00 0.00 C ATOM 1453 O THR B 20 -11.605 -4.321 5.341 1.00 0.00 O ATOM 1454 CB THR B 20 -14.142 -2.812 6.806 1.00 0.00 C ATOM 1455 OG1 THR B 20 -14.540 -1.824 7.766 1.00 0.00 O ATOM 1456 CG2 THR B 20 -14.029 -4.170 7.490 1.00 0.00 C ATOM 0 H THR B 20 -13.829 -0.666 5.572 1.00 0.00 H new ATOM 0 HA THR B 20 -12.033 -2.381 6.933 1.00 0.00 H new ATOM 0 HB THR B 20 -14.890 -2.888 6.017 1.00 0.00 H new ATOM 0 HG1 THR B 20 -14.940 -1.059 7.302 1.00 0.00 H new ATOM 0 HG21 THR B 20 -14.988 -4.434 7.935 1.00 0.00 H new ATOM 0 HG22 THR B 20 -13.749 -4.925 6.756 1.00 0.00 H new ATOM 0 HG23 THR B 20 -13.269 -4.123 8.269 1.00 0.00 H new ATOM 1464 N ALA B 21 -12.948 -3.246 3.884 1.00 0.00 N ATOM 1465 CA ALA B 21 -12.653 -4.146 2.774 1.00 0.00 C ATOM 1466 C ALA B 21 -11.180 -4.064 2.381 1.00 0.00 C ATOM 1467 O ALA B 21 -10.521 -5.084 2.172 1.00 0.00 O ATOM 1468 CB ALA B 21 -13.539 -3.819 1.580 1.00 0.00 C ATOM 0 H ALA B 21 -13.594 -2.491 3.653 1.00 0.00 H new ATOM 0 HA ALA B 21 -12.861 -5.166 3.098 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -13.308 -4.498 0.759 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -14.586 -3.933 1.862 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -13.358 -2.792 1.263 1.00 0.00 H new ATOM 1474 N LEU B 22 -10.667 -2.844 2.294 1.00 0.00 N ATOM 1475 CA LEU B 22 -9.271 -2.623 1.931 1.00 0.00 C ATOM 1476 C LEU B 22 -8.340 -3.015 3.078 1.00 0.00 C ATOM 1477 O LEU B 22 -7.239 -3.520 2.854 1.00 0.00 O ATOM 1478 CB LEU B 22 -9.045 -1.159 1.539 1.00 0.00 C ATOM 1479 CG LEU B 22 -9.348 -0.802 0.076 1.00 0.00 C ATOM 1480 CD1 LEU B 22 -8.490 -1.633 -0.865 1.00 0.00 C ATOM 1481 CD2 LEU B 22 -10.824 -0.985 -0.244 1.00 0.00 C ATOM 0 H LEU B 22 -11.197 -1.990 2.470 1.00 0.00 H new ATOM 0 HA LEU B 22 -9.040 -3.255 1.073 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.663 -0.531 2.181 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.006 -0.903 1.748 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.104 0.250 -0.068 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -8.719 -1.366 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -7.436 -1.438 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -8.699 -2.691 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -11.005 -0.724 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -11.107 -2.024 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -11.419 -0.338 0.401 1.00 0.00 H new ATOM 1493 N LYS B 23 -8.800 -2.784 4.306 1.00 0.00 N ATOM 1494 CA LYS B 23 -8.044 -3.134 5.507 1.00 0.00 C ATOM 1495 C LYS B 23 -7.617 -4.601 5.490 1.00 0.00 C ATOM 1496 O LYS B 23 -6.434 -4.916 5.643 1.00 0.00 O ATOM 1497 CB LYS B 23 -8.895 -2.859 6.751 1.00 0.00 C ATOM 1498 CG LYS B 23 -8.261 -3.302 8.059 1.00 0.00 C ATOM 1499 CD LYS B 23 -9.251 -3.202 9.205 1.00 0.00 C ATOM 1500 CE LYS B 23 -8.680 -3.781 10.491 1.00 0.00 C ATOM 1501 NZ LYS B 23 -9.714 -3.899 11.553 1.00 0.00 N ATOM 0 H LYS B 23 -9.704 -2.351 4.496 1.00 0.00 H new ATOM 0 HA LYS B 23 -7.144 -2.520 5.531 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -9.101 -1.790 6.806 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -9.855 -3.363 6.638 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -7.909 -4.329 7.967 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -7.389 -2.684 8.272 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -9.520 -2.158 9.364 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -10.167 -3.731 8.942 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -8.254 -4.764 10.289 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -7.867 -3.147 10.845 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -9.285 -4.297 12.413 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -10.103 -2.958 11.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -10.478 -4.524 11.226 1.00 0.00 H new ATOM 1515 N MET B 24 -8.580 -5.496 5.299 1.00 0.00 N ATOM 1516 CA MET B 24 -8.297 -6.928 5.319 1.00 0.00 C ATOM 1517 C MET B 24 -7.477 -7.350 4.104 1.00 0.00 C ATOM 1518 O MET B 24 -6.657 -8.266 4.190 1.00 0.00 O ATOM 1519 CB MET B 24 -9.591 -7.746 5.393 1.00 0.00 C ATOM 1520 CG MET B 24 -10.540 -7.524 4.223 1.00 0.00 C ATOM 1521 SD MET B 24 -12.049 -8.503 4.353 1.00 0.00 S ATOM 1522 CE MET B 24 -11.374 -10.161 4.317 1.00 0.00 C ATOM 0 H MET B 24 -9.557 -5.258 5.130 1.00 0.00 H new ATOM 0 HA MET B 24 -7.709 -7.128 6.214 1.00 0.00 H new ATOM 0 HB2 MET B 24 -9.336 -8.804 5.443 1.00 0.00 H new ATOM 0 HB3 MET B 24 -10.111 -7.499 6.319 1.00 0.00 H new ATOM 0 HG2 MET B 24 -10.801 -6.467 4.168 1.00 0.00 H new ATOM 0 HG3 MET B 24 -10.029 -7.774 3.294 1.00 0.00 H new ATOM 0 HE1 MET B 24 -12.151 -10.864 4.017 1.00 0.00 H new ATOM 0 HE2 MET B 24 -10.551 -10.203 3.604 1.00 0.00 H new ATOM 0 HE3 MET B 24 -11.008 -10.427 5.309 1.00 0.00 H new ATOM 1532 N ASP B 25 -7.684 -6.670 2.983 1.00 0.00 N ATOM 1533 CA ASP B 25 -6.987 -7.013 1.749 1.00 0.00 C ATOM 1534 C ASP B 25 -5.504 -6.680 1.866 1.00 0.00 C ATOM 1535 O ASP B 25 -4.648 -7.480 1.489 1.00 0.00 O ATOM 1536 CB ASP B 25 -7.606 -6.279 0.559 1.00 0.00 C ATOM 1537 CG ASP B 25 -7.032 -6.748 -0.760 1.00 0.00 C ATOM 1538 OD1 ASP B 25 -7.230 -7.935 -1.106 1.00 0.00 O ATOM 1539 OD2 ASP B 25 -6.383 -5.943 -1.460 1.00 0.00 O ATOM 0 H ASP B 25 -8.326 -5.881 2.902 1.00 0.00 H new ATOM 0 HA ASP B 25 -7.090 -8.085 1.583 1.00 0.00 H new ATOM 0 HB2 ASP B 25 -8.685 -6.433 0.560 1.00 0.00 H new ATOM 0 HB3 ASP B 25 -7.437 -5.208 0.667 1.00 0.00 H new ATOM 1544 N LEU B 26 -5.210 -5.508 2.416 1.00 0.00 N ATOM 1545 CA LEU B 26 -3.829 -5.071 2.610 1.00 0.00 C ATOM 1546 C LEU B 26 -3.100 -5.987 3.590 1.00 0.00 C ATOM 1547 O LEU B 26 -1.932 -6.325 3.390 1.00 0.00 O ATOM 1548 CB LEU B 26 -3.799 -3.625 3.119 1.00 0.00 C ATOM 1549 CG LEU B 26 -2.402 -3.036 3.337 1.00 0.00 C ATOM 1550 CD1 LEU B 26 -1.623 -2.986 2.032 1.00 0.00 C ATOM 1551 CD2 LEU B 26 -2.506 -1.650 3.948 1.00 0.00 C ATOM 0 H LEU B 26 -5.911 -4.840 2.737 1.00 0.00 H new ATOM 0 HA LEU B 26 -3.317 -5.121 1.649 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -4.333 -2.996 2.407 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -4.346 -3.577 4.060 1.00 0.00 H new ATOM 0 HG LEU B 26 -1.862 -3.684 4.027 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -0.635 -2.564 2.214 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -1.519 -3.994 1.632 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.156 -2.364 1.313 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.506 -1.242 4.098 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -3.067 -0.998 3.278 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -3.020 -1.713 4.907 1.00 0.00 H new ATOM 1563 N HIS B 27 -3.799 -6.393 4.646 1.00 0.00 N ATOM 1564 CA HIS B 27 -3.229 -7.289 5.651 1.00 0.00 C ATOM 1565 C HIS B 27 -2.840 -8.621 5.010 1.00 0.00 C ATOM 1566 O HIS B 27 -1.791 -9.190 5.323 1.00 0.00 O ATOM 1567 CB HIS B 27 -4.239 -7.509 6.787 1.00 0.00 C ATOM 1568 CG HIS B 27 -3.724 -8.318 7.951 1.00 0.00 C ATOM 1569 ND1 HIS B 27 -4.550 -8.796 8.946 1.00 0.00 N ATOM 1570 CD2 HIS B 27 -2.469 -8.715 8.289 1.00 0.00 C ATOM 1571 CE1 HIS B 27 -3.831 -9.451 9.840 1.00 0.00 C ATOM 1572 NE2 HIS B 27 -2.568 -9.417 9.466 1.00 0.00 N ATOM 0 H HIS B 27 -4.763 -6.116 4.829 1.00 0.00 H new ATOM 0 HA HIS B 27 -2.330 -6.834 6.067 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -4.565 -6.537 7.156 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -5.119 -8.007 6.379 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -1.563 -8.516 7.736 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -4.214 -9.933 10.727 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -1.790 -9.843 9.969 1.00 0.00 H new ATOM 1581 N ASP B 28 -3.682 -9.098 4.101 1.00 0.00 N ATOM 1582 CA ASP B 28 -3.430 -10.355 3.408 1.00 0.00 C ATOM 1583 C ASP B 28 -2.292 -10.185 2.406 1.00 0.00 C ATOM 1584 O ASP B 28 -1.335 -10.959 2.402 1.00 0.00 O ATOM 1585 CB ASP B 28 -4.697 -10.826 2.686 1.00 0.00 C ATOM 1586 CG ASP B 28 -4.610 -12.268 2.226 1.00 0.00 C ATOM 1587 OD1 ASP B 28 -3.935 -12.543 1.213 1.00 0.00 O ATOM 1588 OD2 ASP B 28 -5.239 -13.135 2.874 1.00 0.00 O ATOM 0 H ASP B 28 -4.547 -8.632 3.826 1.00 0.00 H new ATOM 0 HA ASP B 28 -3.144 -11.107 4.144 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -5.552 -10.713 3.352 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -4.878 -10.185 1.823 1.00 0.00 H new ATOM 1593 N LEU B 29 -2.391 -9.136 1.591 1.00 0.00 N ATOM 1594 CA LEU B 29 -1.421 -8.862 0.531 1.00 0.00 C ATOM 1595 C LEU B 29 -0.008 -8.685 1.090 1.00 0.00 C ATOM 1596 O LEU B 29 0.971 -9.057 0.447 1.00 0.00 O ATOM 1597 CB LEU B 29 -1.841 -7.605 -0.239 1.00 0.00 C ATOM 1598 CG LEU B 29 -0.949 -7.224 -1.424 1.00 0.00 C ATOM 1599 CD1 LEU B 29 -0.979 -8.304 -2.494 1.00 0.00 C ATOM 1600 CD2 LEU B 29 -1.381 -5.885 -2.006 1.00 0.00 C ATOM 0 H LEU B 29 -3.146 -8.452 1.647 1.00 0.00 H new ATOM 0 HA LEU B 29 -1.406 -9.719 -0.142 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -2.858 -7.748 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -1.867 -6.767 0.457 1.00 0.00 H new ATOM 0 HG LEU B 29 0.075 -7.132 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -0.338 -8.011 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -0.620 -9.243 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -2.000 -8.433 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -0.737 -5.629 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.414 -5.953 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -1.302 -5.113 -1.241 1.00 0.00 H new ATOM 1612 N ALA B 30 0.089 -8.121 2.291 1.00 0.00 N ATOM 1613 CA ALA B 30 1.379 -7.903 2.939 1.00 0.00 C ATOM 1614 C ALA B 30 2.123 -9.221 3.151 1.00 0.00 C ATOM 1615 O ALA B 30 3.342 -9.292 3.001 1.00 0.00 O ATOM 1616 CB ALA B 30 1.185 -7.186 4.267 1.00 0.00 C ATOM 0 H ALA B 30 -0.713 -7.806 2.837 1.00 0.00 H new ATOM 0 HA ALA B 30 1.985 -7.278 2.283 1.00 0.00 H new ATOM 0 HB1 ALA B 30 2.154 -7.029 4.741 1.00 0.00 H new ATOM 0 HB2 ALA B 30 0.706 -6.223 4.094 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.556 -7.792 4.919 1.00 0.00 H new ATOM 1622 N GLU B 31 1.387 -10.264 3.505 1.00 0.00 N ATOM 1623 CA GLU B 31 1.987 -11.575 3.704 1.00 0.00 C ATOM 1624 C GLU B 31 2.071 -12.321 2.380 1.00 0.00 C ATOM 1625 O GLU B 31 3.037 -13.037 2.113 1.00 0.00 O ATOM 1626 CB GLU B 31 1.185 -12.394 4.718 1.00 0.00 C ATOM 1627 CG GLU B 31 1.901 -13.653 5.171 1.00 0.00 C ATOM 1628 CD GLU B 31 1.136 -14.420 6.226 1.00 0.00 C ATOM 1629 OE1 GLU B 31 1.161 -14.005 7.404 1.00 0.00 O ATOM 1630 OE2 GLU B 31 0.518 -15.451 5.888 1.00 0.00 O ATOM 0 H GLU B 31 0.379 -10.229 3.660 1.00 0.00 H new ATOM 0 HA GLU B 31 2.994 -11.433 4.097 1.00 0.00 H new ATOM 0 HB2 GLU B 31 0.970 -11.773 5.588 1.00 0.00 H new ATOM 0 HB3 GLU B 31 0.226 -12.668 4.277 1.00 0.00 H new ATOM 0 HG2 GLU B 31 2.068 -14.299 4.309 1.00 0.00 H new ATOM 0 HG3 GLU B 31 2.882 -13.385 5.564 1.00 0.00 H new ATOM 1637 N ASP B 32 1.065 -12.113 1.544 1.00 0.00 N ATOM 1638 CA ASP B 32 0.938 -12.814 0.268 1.00 0.00 C ATOM 1639 C ASP B 32 1.727 -12.097 -0.831 1.00 0.00 C ATOM 1640 O ASP B 32 1.412 -12.203 -2.018 1.00 0.00 O ATOM 1641 CB ASP B 32 -0.540 -12.921 -0.106 1.00 0.00 C ATOM 1642 CG ASP B 32 -0.810 -13.944 -1.188 1.00 0.00 C ATOM 1643 OD1 ASP B 32 -0.554 -15.144 -0.956 1.00 0.00 O ATOM 1644 OD2 ASP B 32 -1.310 -13.557 -2.265 1.00 0.00 O ATOM 0 H ASP B 32 0.310 -11.452 1.729 1.00 0.00 H new ATOM 0 HA ASP B 32 1.354 -13.816 0.370 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -1.115 -13.182 0.783 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -0.895 -11.946 -0.440 1.00 0.00 H new ATOM 1649 N LEU B 33 2.750 -11.356 -0.412 1.00 0.00 N ATOM 1650 CA LEU B 33 3.652 -10.650 -1.320 1.00 0.00 C ATOM 1651 C LEU B 33 4.187 -11.547 -2.435 1.00 0.00 C ATOM 1652 O LEU B 33 4.115 -12.772 -2.343 1.00 0.00 O ATOM 1653 CB LEU B 33 4.762 -9.956 -0.532 1.00 0.00 C ATOM 1654 CG LEU B 33 4.359 -8.596 0.034 1.00 0.00 C ATOM 1655 CD1 LEU B 33 5.552 -7.891 0.650 1.00 0.00 C ATOM 1656 CD2 LEU B 33 3.736 -7.737 -1.058 1.00 0.00 C ATOM 0 H LEU B 33 2.978 -11.227 0.574 1.00 0.00 H new ATOM 0 HA LEU B 33 3.076 -9.878 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU B 33 5.071 -10.603 0.289 1.00 0.00 H new ATOM 0 HB3 LEU B 33 5.629 -9.827 -1.180 1.00 0.00 H new ATOM 0 HG LEU B 33 3.620 -8.756 0.819 1.00 0.00 H new ATOM 0 HD11 LEU B 33 5.239 -6.925 1.046 1.00 0.00 H new ATOM 0 HD12 LEU B 33 5.957 -8.500 1.458 1.00 0.00 H new ATOM 0 HD13 LEU B 33 6.318 -7.741 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU B 33 3.453 -6.770 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU B 33 4.458 -7.590 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU B 33 2.851 -8.236 -1.453 1.00 0.00 H new ATOM 1668 N PRO B 34 4.846 -10.935 -3.442 1.00 0.00 N ATOM 1669 CA PRO B 34 4.649 -11.212 -4.839 1.00 0.00 C ATOM 1670 C PRO B 34 3.636 -12.301 -5.150 1.00 0.00 C ATOM 1671 O PRO B 34 3.799 -13.476 -4.829 1.00 0.00 O ATOM 1672 CB PRO B 34 6.070 -11.568 -5.243 1.00 0.00 C ATOM 1673 CG PRO B 34 6.914 -10.615 -4.431 1.00 0.00 C ATOM 1674 CD PRO B 34 6.013 -10.063 -3.332 1.00 0.00 C ATOM 0 HA PRO B 34 4.205 -10.382 -5.388 1.00 0.00 H new ATOM 0 HB2 PRO B 34 6.304 -12.608 -5.014 1.00 0.00 H new ATOM 0 HB3 PRO B 34 6.229 -11.434 -6.313 1.00 0.00 H new ATOM 0 HG2 PRO B 34 7.776 -11.128 -4.004 1.00 0.00 H new ATOM 0 HG3 PRO B 34 7.300 -9.810 -5.056 1.00 0.00 H new ATOM 0 HD2 PRO B 34 6.480 -10.126 -2.349 1.00 0.00 H new ATOM 0 HD3 PRO B 34 5.759 -9.016 -3.498 1.00 0.00 H new ATOM 1682 N THR B 35 2.661 -11.843 -5.912 1.00 0.00 N ATOM 1683 CA THR B 35 1.504 -12.586 -6.398 1.00 0.00 C ATOM 1684 C THR B 35 0.559 -11.536 -6.971 1.00 0.00 C ATOM 1685 O THR B 35 0.121 -11.613 -8.118 1.00 0.00 O ATOM 1686 CB THR B 35 0.766 -13.399 -5.294 1.00 0.00 C ATOM 1687 OG1 THR B 35 1.544 -14.538 -4.890 1.00 0.00 O ATOM 1688 CG2 THR B 35 -0.598 -13.872 -5.780 1.00 0.00 C ATOM 0 H THR B 35 2.652 -10.875 -6.232 1.00 0.00 H new ATOM 0 HA THR B 35 1.833 -13.326 -7.127 1.00 0.00 H new ATOM 0 HB THR B 35 0.629 -12.735 -4.440 1.00 0.00 H new ATOM 0 HG1 THR B 35 2.476 -14.411 -5.163 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.090 -14.437 -4.988 1.00 0.00 H new ATOM 0 HG22 THR B 35 -1.209 -13.009 -6.044 1.00 0.00 H new ATOM 0 HG23 THR B 35 -0.472 -14.509 -6.655 1.00 0.00 H new ATOM 1696 N GLY B 36 0.299 -10.521 -6.153 1.00 0.00 N ATOM 1697 CA GLY B 36 -0.427 -9.349 -6.597 1.00 0.00 C ATOM 1698 C GLY B 36 0.273 -8.065 -6.181 1.00 0.00 C ATOM 1699 O GLY B 36 -0.373 -7.067 -5.865 1.00 0.00 O ATOM 0 H GLY B 36 0.585 -10.492 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -0.529 -9.373 -7.682 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -1.435 -9.366 -6.182 1.00 0.00 H new ATOM 1703 N TRP B 37 1.606 -8.089 -6.202 1.00 0.00 N ATOM 1704 CA TRP B 37 2.419 -6.961 -5.749 1.00 0.00 C ATOM 1705 C TRP B 37 2.228 -5.725 -6.628 1.00 0.00 C ATOM 1706 O TRP B 37 2.498 -4.607 -6.199 1.00 0.00 O ATOM 1707 CB TRP B 37 3.904 -7.356 -5.702 1.00 0.00 C ATOM 1708 CG TRP B 37 4.466 -7.795 -7.024 1.00 0.00 C ATOM 1709 CD1 TRP B 37 4.433 -9.054 -7.553 1.00 0.00 C ATOM 1710 CD2 TRP B 37 5.156 -6.978 -7.976 1.00 0.00 C ATOM 1711 NE1 TRP B 37 5.051 -9.067 -8.778 1.00 0.00 N ATOM 1712 CE2 TRP B 37 5.505 -7.806 -9.060 1.00 0.00 C ATOM 1713 CE3 TRP B 37 5.509 -5.625 -8.021 1.00 0.00 C ATOM 1714 CZ2 TRP B 37 6.191 -7.327 -10.173 1.00 0.00 C ATOM 1715 CZ3 TRP B 37 6.192 -5.151 -9.126 1.00 0.00 C ATOM 1716 CH2 TRP B 37 6.525 -5.999 -10.190 1.00 0.00 C ATOM 0 H TRP B 37 2.150 -8.887 -6.532 1.00 0.00 H new ATOM 0 HA TRP B 37 2.084 -6.703 -4.745 1.00 0.00 H new ATOM 0 HB2 TRP B 37 4.483 -6.507 -5.338 1.00 0.00 H new ATOM 0 HB3 TRP B 37 4.031 -8.162 -4.980 1.00 0.00 H new ATOM 0 HD1 TRP B 37 3.986 -9.914 -7.077 1.00 0.00 H new ATOM 0 HE1 TRP B 37 5.155 -9.883 -9.381 1.00 0.00 H new ATOM 0 HE3 TRP B 37 5.253 -4.963 -7.207 1.00 0.00 H new ATOM 0 HZ2 TRP B 37 6.450 -7.979 -10.994 1.00 0.00 H new ATOM 0 HZ3 TRP B 37 6.473 -4.109 -9.169 1.00 0.00 H new ATOM 0 HH2 TRP B 37 7.056 -5.598 -11.041 1.00 0.00 H new ATOM 1727 N ASN B 38 1.746 -5.921 -7.850 1.00 0.00 N ATOM 1728 CA ASN B 38 1.473 -4.803 -8.755 1.00 0.00 C ATOM 1729 C ASN B 38 0.316 -3.954 -8.219 1.00 0.00 C ATOM 1730 O ASN B 38 0.145 -2.791 -8.587 1.00 0.00 O ATOM 1731 CB ASN B 38 1.145 -5.336 -10.157 1.00 0.00 C ATOM 1732 CG ASN B 38 0.841 -4.235 -11.157 1.00 0.00 C ATOM 1733 OD1 ASN B 38 -0.311 -3.845 -11.340 1.00 0.00 O ATOM 1734 ND2 ASN B 38 1.875 -3.727 -11.814 1.00 0.00 N ATOM 0 H ASN B 38 1.536 -6.840 -8.239 1.00 0.00 H new ATOM 0 HA ASN B 38 2.360 -4.172 -8.817 1.00 0.00 H new ATOM 0 HB2 ASN B 38 1.986 -5.927 -10.520 1.00 0.00 H new ATOM 0 HB3 ASN B 38 0.288 -6.007 -10.093 1.00 0.00 H new ATOM 0 HD21 ASN B 38 1.729 -2.986 -12.499 1.00 0.00 H new ATOM 0 HD22 ASN B 38 2.816 -4.078 -11.634 1.00 0.00 H new ATOM 1741 N ARG B 39 -0.442 -4.545 -7.306 1.00 0.00 N ATOM 1742 CA ARG B 39 -1.644 -3.932 -6.754 1.00 0.00 C ATOM 1743 C ARG B 39 -1.354 -3.251 -5.409 1.00 0.00 C ATOM 1744 O ARG B 39 -2.217 -2.578 -4.844 1.00 0.00 O ATOM 1745 CB ARG B 39 -2.707 -5.033 -6.613 1.00 0.00 C ATOM 1746 CG ARG B 39 -3.971 -4.646 -5.863 1.00 0.00 C ATOM 1747 CD ARG B 39 -4.939 -5.818 -5.818 1.00 0.00 C ATOM 1748 NE ARG B 39 -5.924 -5.704 -4.743 1.00 0.00 N ATOM 1749 CZ ARG B 39 -7.158 -6.198 -4.814 1.00 0.00 C ATOM 1750 NH1 ARG B 39 -7.602 -6.724 -5.948 1.00 0.00 N ATOM 1751 NH2 ARG B 39 -7.951 -6.145 -3.752 1.00 0.00 N ATOM 0 H ARG B 39 -0.240 -5.469 -6.924 1.00 0.00 H new ATOM 0 HA ARG B 39 -2.007 -3.149 -7.419 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -2.989 -5.368 -7.611 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -2.254 -5.885 -6.106 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -3.719 -4.335 -4.849 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -4.444 -3.793 -6.350 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -5.459 -5.890 -6.773 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -4.376 -6.743 -5.691 1.00 0.00 H new ATOM 0 HE ARG B 39 -5.649 -5.218 -3.889 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -6.997 -6.751 -6.769 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -8.548 -7.102 -5.999 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -7.615 -5.727 -2.885 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -8.897 -6.523 -3.803 1.00 0.00 H new ATOM 1765 N ILE B 40 -0.119 -3.396 -4.922 1.00 0.00 N ATOM 1766 CA ILE B 40 0.263 -2.886 -3.597 1.00 0.00 C ATOM 1767 C ILE B 40 -0.032 -1.391 -3.437 1.00 0.00 C ATOM 1768 O ILE B 40 -0.695 -0.982 -2.483 1.00 0.00 O ATOM 1769 CB ILE B 40 1.763 -3.123 -3.303 1.00 0.00 C ATOM 1770 CG1 ILE B 40 2.053 -4.611 -3.128 1.00 0.00 C ATOM 1771 CG2 ILE B 40 2.203 -2.357 -2.060 1.00 0.00 C ATOM 1772 CD1 ILE B 40 3.523 -4.914 -2.930 1.00 0.00 C ATOM 0 H ILE B 40 0.636 -3.863 -5.424 1.00 0.00 H new ATOM 0 HA ILE B 40 -0.344 -3.444 -2.885 1.00 0.00 H new ATOM 0 HB ILE B 40 2.330 -2.754 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.493 -4.985 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE B 40 1.693 -5.150 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE B 40 3.261 -2.541 -1.875 1.00 0.00 H new ATOM 0 HG22 ILE B 40 2.041 -1.290 -2.214 1.00 0.00 H new ATOM 0 HG23 ILE B 40 1.621 -2.692 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE B 40 3.660 -5.989 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE B 40 4.086 -4.570 -3.798 1.00 0.00 H new ATOM 0 HD13 ILE B 40 3.883 -4.402 -2.038 1.00 0.00 H new ATOM 1784 N MET B 41 0.443 -0.586 -4.381 1.00 0.00 N ATOM 1785 CA MET B 41 0.347 0.867 -4.258 1.00 0.00 C ATOM 1786 C MET B 41 -1.096 1.333 -4.325 1.00 0.00 C ATOM 1787 O MET B 41 -1.506 2.191 -3.548 1.00 0.00 O ATOM 1788 CB MET B 41 1.170 1.575 -5.338 1.00 0.00 C ATOM 1789 CG MET B 41 2.665 1.352 -5.210 1.00 0.00 C ATOM 1790 SD MET B 41 3.322 1.890 -3.619 1.00 0.00 S ATOM 1791 CE MET B 41 3.049 3.660 -3.706 1.00 0.00 C ATOM 0 H MET B 41 0.896 -0.911 -5.235 1.00 0.00 H new ATOM 0 HA MET B 41 0.754 1.130 -3.282 1.00 0.00 H new ATOM 0 HB2 MET B 41 0.842 1.228 -6.318 1.00 0.00 H new ATOM 0 HB3 MET B 41 0.966 2.645 -5.295 1.00 0.00 H new ATOM 0 HG2 MET B 41 2.882 0.293 -5.347 1.00 0.00 H new ATOM 0 HG3 MET B 41 3.177 1.889 -6.009 1.00 0.00 H new ATOM 0 HE1 MET B 41 3.605 4.153 -2.909 1.00 0.00 H new ATOM 0 HE2 MET B 41 3.390 4.034 -4.671 1.00 0.00 H new ATOM 0 HE3 MET B 41 1.986 3.870 -3.591 1.00 0.00 H new ATOM 1801 N GLU B 42 -1.863 0.762 -5.244 1.00 0.00 N ATOM 1802 CA GLU B 42 -3.266 1.126 -5.385 1.00 0.00 C ATOM 1803 C GLU B 42 -4.013 0.838 -4.094 1.00 0.00 C ATOM 1804 O GLU B 42 -4.789 1.668 -3.616 1.00 0.00 O ATOM 1805 CB GLU B 42 -3.919 0.357 -6.527 1.00 0.00 C ATOM 1806 CG GLU B 42 -5.254 0.952 -6.942 1.00 0.00 C ATOM 1807 CD GLU B 42 -6.009 0.093 -7.926 1.00 0.00 C ATOM 1808 OE1 GLU B 42 -5.669 0.115 -9.123 1.00 0.00 O ATOM 1809 OE2 GLU B 42 -6.969 -0.588 -7.506 1.00 0.00 O ATOM 0 H GLU B 42 -1.540 0.050 -5.899 1.00 0.00 H new ATOM 0 HA GLU B 42 -3.315 2.192 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -3.247 0.347 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -4.065 -0.680 -6.225 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -5.869 1.102 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -5.085 1.935 -7.383 1.00 0.00 H new ATOM 1816 N VAL B 43 -3.782 -0.345 -3.541 1.00 0.00 N ATOM 1817 CA VAL B 43 -4.368 -0.709 -2.260 1.00 0.00 C ATOM 1818 C VAL B 43 -3.961 0.298 -1.192 1.00 0.00 C ATOM 1819 O VAL B 43 -4.815 0.862 -0.514 1.00 0.00 O ATOM 1820 CB VAL B 43 -3.965 -2.132 -1.813 1.00 0.00 C ATOM 1821 CG1 VAL B 43 -4.467 -2.424 -0.405 1.00 0.00 C ATOM 1822 CG2 VAL B 43 -4.507 -3.162 -2.785 1.00 0.00 C ATOM 0 H VAL B 43 -3.194 -1.067 -3.959 1.00 0.00 H new ATOM 0 HA VAL B 43 -5.450 -0.698 -2.388 1.00 0.00 H new ATOM 0 HB VAL B 43 -2.877 -2.189 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -4.170 -3.432 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -4.037 -1.704 0.291 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -5.554 -2.345 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -4.215 -4.160 -2.458 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -5.594 -3.094 -2.818 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -4.101 -2.973 -3.779 1.00 0.00 H new ATOM 1832 N ALA B 44 -2.657 0.537 -1.068 1.00 0.00 N ATOM 1833 CA ALA B 44 -2.139 1.487 -0.088 1.00 0.00 C ATOM 1834 C ALA B 44 -2.795 2.854 -0.249 1.00 0.00 C ATOM 1835 O ALA B 44 -3.299 3.426 0.716 1.00 0.00 O ATOM 1836 CB ALA B 44 -0.626 1.605 -0.211 1.00 0.00 C ATOM 0 H ALA B 44 -1.940 0.085 -1.635 1.00 0.00 H new ATOM 0 HA ALA B 44 -2.381 1.112 0.907 1.00 0.00 H new ATOM 0 HB1 ALA B 44 -0.255 2.317 0.526 1.00 0.00 H new ATOM 0 HB2 ALA B 44 -0.170 0.631 -0.036 1.00 0.00 H new ATOM 0 HB3 ALA B 44 -0.368 1.952 -1.212 1.00 0.00 H new ATOM 1842 N GLU B 45 -2.808 3.355 -1.478 1.00 0.00 N ATOM 1843 CA GLU B 45 -3.392 4.647 -1.785 1.00 0.00 C ATOM 1844 C GLU B 45 -4.863 4.716 -1.386 1.00 0.00 C ATOM 1845 O GLU B 45 -5.280 5.640 -0.687 1.00 0.00 O ATOM 1846 CB GLU B 45 -3.250 4.938 -3.275 1.00 0.00 C ATOM 1847 CG GLU B 45 -1.856 5.385 -3.689 1.00 0.00 C ATOM 1848 CD GLU B 45 -1.802 5.834 -5.132 1.00 0.00 C ATOM 1849 OE1 GLU B 45 -2.253 6.964 -5.423 1.00 0.00 O ATOM 1850 OE2 GLU B 45 -1.320 5.062 -5.988 1.00 0.00 O ATOM 0 H GLU B 45 -2.413 2.875 -2.287 1.00 0.00 H new ATOM 0 HA GLU B 45 -2.854 5.398 -1.206 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -3.515 4.042 -3.836 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -3.966 5.711 -3.553 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -1.533 6.202 -3.044 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -1.154 4.564 -3.540 1.00 0.00 H new ATOM 1857 N LYS B 46 -5.646 3.742 -1.832 1.00 0.00 N ATOM 1858 CA LYS B 46 -7.082 3.740 -1.576 1.00 0.00 C ATOM 1859 C LYS B 46 -7.390 3.515 -0.098 1.00 0.00 C ATOM 1860 O LYS B 46 -8.247 4.192 0.470 1.00 0.00 O ATOM 1861 CB LYS B 46 -7.772 2.689 -2.439 1.00 0.00 C ATOM 1862 CG LYS B 46 -7.807 3.073 -3.910 1.00 0.00 C ATOM 1863 CD LYS B 46 -8.389 1.968 -4.771 1.00 0.00 C ATOM 1864 CE LYS B 46 -8.450 2.384 -6.234 1.00 0.00 C ATOM 1865 NZ LYS B 46 -8.972 1.298 -7.108 1.00 0.00 N ATOM 0 H LYS B 46 -5.312 2.944 -2.372 1.00 0.00 H new ATOM 0 HA LYS B 46 -7.471 4.723 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -7.255 1.736 -2.328 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -8.791 2.542 -2.081 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -8.399 3.980 -4.034 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -6.797 3.303 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -7.782 1.068 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -9.390 1.718 -4.419 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -9.085 3.264 -6.333 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -7.453 2.671 -6.570 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -9.027 1.638 -8.089 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -8.334 0.478 -7.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -9.920 1.018 -6.785 1.00 0.00 H new ATOM 1879 N THR B 47 -6.680 2.580 0.522 1.00 0.00 N ATOM 1880 CA THR B 47 -6.883 2.271 1.934 1.00 0.00 C ATOM 1881 C THR B 47 -6.526 3.476 2.807 1.00 0.00 C ATOM 1882 O THR B 47 -7.278 3.851 3.710 1.00 0.00 O ATOM 1883 CB THR B 47 -6.039 1.053 2.370 1.00 0.00 C ATOM 1884 OG1 THR B 47 -6.211 -0.020 1.442 1.00 0.00 O ATOM 1885 CG2 THR B 47 -6.437 0.574 3.756 1.00 0.00 C ATOM 0 H THR B 47 -5.957 2.021 0.069 1.00 0.00 H new ATOM 0 HA THR B 47 -7.938 2.029 2.066 1.00 0.00 H new ATOM 0 HB THR B 47 -4.995 1.365 2.392 1.00 0.00 H new ATOM 0 HG1 THR B 47 -5.506 0.019 0.762 1.00 0.00 H new ATOM 0 HG21 THR B 47 -5.825 -0.284 4.034 1.00 0.00 H new ATOM 0 HG22 THR B 47 -6.284 1.378 4.476 1.00 0.00 H new ATOM 0 HG23 THR B 47 -7.488 0.284 3.753 1.00 0.00 H new ATOM 1893 N TYR B 48 -5.387 4.093 2.517 1.00 0.00 N ATOM 1894 CA TYR B 48 -4.920 5.242 3.277 1.00 0.00 C ATOM 1895 C TYR B 48 -5.873 6.423 3.101 1.00 0.00 C ATOM 1896 O TYR B 48 -6.247 7.085 4.071 1.00 0.00 O ATOM 1897 CB TYR B 48 -3.512 5.632 2.816 1.00 0.00 C ATOM 1898 CG TYR B 48 -2.804 6.611 3.725 1.00 0.00 C ATOM 1899 CD1 TYR B 48 -2.142 6.171 4.861 1.00 0.00 C ATOM 1900 CD2 TYR B 48 -2.796 7.973 3.449 1.00 0.00 C ATOM 1901 CE1 TYR B 48 -1.488 7.057 5.697 1.00 0.00 C ATOM 1902 CE2 TYR B 48 -2.144 8.867 4.279 1.00 0.00 C ATOM 1903 CZ TYR B 48 -1.494 8.403 5.403 1.00 0.00 C ATOM 1904 OH TYR B 48 -0.849 9.293 6.236 1.00 0.00 O ATOM 0 H TYR B 48 -4.768 3.814 1.756 1.00 0.00 H new ATOM 0 HA TYR B 48 -4.891 4.974 4.333 1.00 0.00 H new ATOM 0 HB2 TYR B 48 -2.907 4.729 2.734 1.00 0.00 H new ATOM 0 HB3 TYR B 48 -3.577 6.064 1.817 1.00 0.00 H new ATOM 0 HD1 TYR B 48 -2.137 5.117 5.097 1.00 0.00 H new ATOM 0 HD2 TYR B 48 -3.308 8.340 2.571 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -0.975 6.696 6.576 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -2.144 9.922 4.048 1.00 0.00 H new ATOM 0 HH TYR B 48 -0.118 8.835 6.701 1.00 0.00 H new ATOM 1914 N GLU B 49 -6.276 6.656 1.856 1.00 0.00 N ATOM 1915 CA GLU B 49 -7.127 7.790 1.505 1.00 0.00 C ATOM 1916 C GLU B 49 -8.510 7.669 2.136 1.00 0.00 C ATOM 1917 O GLU B 49 -8.999 8.613 2.759 1.00 0.00 O ATOM 1918 CB GLU B 49 -7.263 7.885 -0.015 1.00 0.00 C ATOM 1919 CG GLU B 49 -7.960 9.143 -0.501 1.00 0.00 C ATOM 1920 CD GLU B 49 -8.110 9.169 -2.008 1.00 0.00 C ATOM 1921 OE1 GLU B 49 -7.097 9.378 -2.709 1.00 0.00 O ATOM 1922 OE2 GLU B 49 -9.240 8.988 -2.501 1.00 0.00 O ATOM 0 H GLU B 49 -6.023 6.066 1.063 1.00 0.00 H new ATOM 0 HA GLU B 49 -6.656 8.694 1.892 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -6.269 7.839 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -7.814 7.016 -0.374 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -8.945 9.212 -0.038 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -7.394 10.017 -0.179 1.00 0.00 H new ATOM 1929 N ALA B 50 -9.131 6.507 1.972 1.00 0.00 N ATOM 1930 CA ALA B 50 -10.473 6.275 2.490 1.00 0.00 C ATOM 1931 C ALA B 50 -10.524 6.486 3.998 1.00 0.00 C ATOM 1932 O ALA B 50 -11.456 7.096 4.518 1.00 0.00 O ATOM 1933 CB ALA B 50 -10.944 4.872 2.136 1.00 0.00 C ATOM 0 H ALA B 50 -8.725 5.709 1.483 1.00 0.00 H new ATOM 0 HA ALA B 50 -11.143 6.998 2.025 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.948 4.715 2.530 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.957 4.755 1.052 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.265 4.139 2.571 1.00 0.00 H new ATOM 1939 N TYR B 51 -9.501 5.999 4.690 1.00 0.00 N ATOM 1940 CA TYR B 51 -9.435 6.115 6.142 1.00 0.00 C ATOM 1941 C TYR B 51 -9.252 7.574 6.556 1.00 0.00 C ATOM 1942 O TYR B 51 -9.770 8.005 7.587 1.00 0.00 O ATOM 1943 CB TYR B 51 -8.286 5.264 6.681 1.00 0.00 C ATOM 1944 CG TYR B 51 -8.490 4.786 8.102 1.00 0.00 C ATOM 1945 CD1 TYR B 51 -9.305 3.693 8.367 1.00 0.00 C ATOM 1946 CD2 TYR B 51 -7.864 5.412 9.170 1.00 0.00 C ATOM 1947 CE1 TYR B 51 -9.491 3.237 9.657 1.00 0.00 C ATOM 1948 CE2 TYR B 51 -8.043 4.961 10.466 1.00 0.00 C ATOM 1949 CZ TYR B 51 -8.859 3.873 10.703 1.00 0.00 C ATOM 1950 OH TYR B 51 -9.038 3.418 11.989 1.00 0.00 O ATOM 0 H TYR B 51 -8.705 5.520 4.269 1.00 0.00 H new ATOM 0 HA TYR B 51 -10.373 5.754 6.564 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -8.153 4.398 6.033 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -7.364 5.843 6.632 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -9.802 3.191 7.550 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -7.227 6.265 8.987 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -10.129 2.386 9.845 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -7.547 5.457 11.287 1.00 0.00 H new ATOM 0 HH TYR B 51 -8.522 3.976 12.608 1.00 0.00 H new ATOM 1960 N ARG B 52 -8.520 8.329 5.741 1.00 0.00 N ATOM 1961 CA ARG B 52 -8.315 9.754 5.990 1.00 0.00 C ATOM 1962 C ARG B 52 -9.631 10.504 5.945 1.00 0.00 C ATOM 1963 O ARG B 52 -10.009 11.183 6.900 1.00 0.00 O ATOM 1964 CB ARG B 52 -7.394 10.350 4.934 1.00 0.00 C ATOM 1965 CG ARG B 52 -5.932 10.053 5.145 1.00 0.00 C ATOM 1966 CD ARG B 52 -5.428 10.679 6.432 1.00 0.00 C ATOM 1967 NE ARG B 52 -3.971 10.702 6.498 1.00 0.00 N ATOM 1968 CZ ARG B 52 -3.255 11.825 6.560 1.00 0.00 C ATOM 1969 NH1 ARG B 52 -3.869 13.005 6.587 1.00 0.00 N ATOM 1970 NH2 ARG B 52 -1.930 11.767 6.592 1.00 0.00 N ATOM 0 H ARG B 52 -8.058 7.978 4.902 1.00 0.00 H new ATOM 0 HA ARG B 52 -7.868 9.853 6.979 1.00 0.00 H new ATOM 0 HB2 ARG B 52 -7.691 9.973 3.955 1.00 0.00 H new ATOM 0 HB3 ARG B 52 -7.534 11.431 4.915 1.00 0.00 H new ATOM 0 HG2 ARG B 52 -5.778 8.974 5.177 1.00 0.00 H new ATOM 0 HG3 ARG B 52 -5.355 10.433 4.302 1.00 0.00 H new ATOM 0 HD2 ARG B 52 -5.810 11.697 6.513 1.00 0.00 H new ATOM 0 HD3 ARG B 52 -5.820 10.122 7.283 1.00 0.00 H new ATOM 0 HE ARG B 52 -3.473 9.812 6.497 1.00 0.00 H new ATOM 0 HH11 ARG B 52 -4.888 13.051 6.560 1.00 0.00 H new ATOM 0 HH12 ARG B 52 -3.321 13.864 6.634 1.00 0.00 H new ATOM 0 HH21 ARG B 52 -1.458 10.863 6.569 1.00 0.00 H new ATOM 0 HH22 ARG B 52 -1.383 12.627 6.639 1.00 0.00 H new ATOM 1984 N GLN B 53 -10.311 10.370 4.820 1.00 0.00 N ATOM 1985 CA GLN B 53 -11.599 11.022 4.610 1.00 0.00 C ATOM 1986 C GLN B 53 -12.619 10.558 5.646 1.00 0.00 C ATOM 1987 O GLN B 53 -13.459 11.339 6.086 1.00 0.00 O ATOM 1988 CB GLN B 53 -12.103 10.752 3.190 1.00 0.00 C ATOM 1989 CG GLN B 53 -13.398 11.471 2.851 1.00 0.00 C ATOM 1990 CD GLN B 53 -13.733 11.397 1.375 1.00 0.00 C ATOM 1991 OE1 GLN B 53 -14.403 10.468 0.920 1.00 0.00 O ATOM 1992 NE2 GLN B 53 -13.272 12.378 0.616 1.00 0.00 N ATOM 0 H GLN B 53 -9.992 9.811 4.029 1.00 0.00 H new ATOM 0 HA GLN B 53 -11.466 12.097 4.732 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -11.334 11.053 2.478 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -12.251 9.679 3.065 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -14.214 11.035 3.428 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -13.319 12.516 3.150 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -12.721 13.129 1.032 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -13.468 12.383 -0.385 1.00 0.00 H new ATOM 2001 N LEU B 54 -12.530 9.291 6.035 1.00 0.00 N ATOM 2002 CA LEU B 54 -13.382 8.745 7.087 1.00 0.00 C ATOM 2003 C LEU B 54 -13.127 9.485 8.399 1.00 0.00 C ATOM 2004 O LEU B 54 -14.063 9.946 9.054 1.00 0.00 O ATOM 2005 CB LEU B 54 -13.107 7.240 7.246 1.00 0.00 C ATOM 2006 CG LEU B 54 -14.068 6.457 8.157 1.00 0.00 C ATOM 2007 CD1 LEU B 54 -14.024 4.977 7.812 1.00 0.00 C ATOM 2008 CD2 LEU B 54 -13.721 6.650 9.628 1.00 0.00 C ATOM 0 H LEU B 54 -11.874 8.620 5.636 1.00 0.00 H new ATOM 0 HA LEU B 54 -14.429 8.880 6.815 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -13.128 6.783 6.256 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -12.095 7.117 7.633 1.00 0.00 H new ATOM 0 HG LEU B 54 -15.074 6.843 7.990 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -14.708 4.431 8.462 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -14.322 4.837 6.773 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -13.011 4.600 7.953 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -14.419 6.083 10.244 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -12.706 6.297 9.812 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -13.789 7.708 9.882 1.00 0.00 H new ATOM 2020 N ASP B 55 -11.856 9.604 8.766 1.00 0.00 N ATOM 2021 CA ASP B 55 -11.465 10.297 9.993 1.00 0.00 C ATOM 2022 C ASP B 55 -11.847 11.775 9.916 1.00 0.00 C ATOM 2023 O ASP B 55 -12.365 12.347 10.878 1.00 0.00 O ATOM 2024 CB ASP B 55 -9.956 10.143 10.223 1.00 0.00 C ATOM 2025 CG ASP B 55 -9.483 10.763 11.525 1.00 0.00 C ATOM 2026 OD1 ASP B 55 -9.533 10.080 12.572 1.00 0.00 O ATOM 2027 OD2 ASP B 55 -9.044 11.932 11.512 1.00 0.00 O ATOM 0 H ASP B 55 -11.074 9.228 8.230 1.00 0.00 H new ATOM 0 HA ASP B 55 -11.995 9.850 10.834 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -9.701 9.083 10.219 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -9.420 10.603 9.393 1.00 0.00 H new ATOM 2032 N GLU B 56 -11.607 12.383 8.756 1.00 0.00 N ATOM 2033 CA GLU B 56 -11.979 13.775 8.516 1.00 0.00 C ATOM 2034 C GLU B 56 -13.484 13.964 8.658 1.00 0.00 C ATOM 2035 O GLU B 56 -13.949 14.931 9.269 1.00 0.00 O ATOM 2036 CB GLU B 56 -11.528 14.213 7.117 1.00 0.00 C ATOM 2037 CG GLU B 56 -10.044 14.505 7.018 1.00 0.00 C ATOM 2038 CD GLU B 56 -9.611 14.858 5.610 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -9.989 15.948 5.120 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -8.891 14.052 4.984 1.00 0.00 O ATOM 0 H GLU B 56 -11.153 11.929 7.963 1.00 0.00 H new ATOM 0 HA GLU B 56 -11.479 14.394 9.261 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -11.784 13.432 6.401 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -12.085 15.105 6.828 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -9.794 15.328 7.688 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -9.483 13.635 7.359 1.00 0.00 H new ATOM 2047 N PHE B 57 -14.243 13.033 8.103 1.00 0.00 N ATOM 2048 CA PHE B 57 -15.688 13.083 8.202 1.00 0.00 C ATOM 2049 C PHE B 57 -16.121 12.859 9.647 1.00 0.00 C ATOM 2050 O PHE B 57 -17.077 13.469 10.118 1.00 0.00 O ATOM 2051 CB PHE B 57 -16.329 12.037 7.290 1.00 0.00 C ATOM 2052 CG PHE B 57 -17.817 12.199 7.155 1.00 0.00 C ATOM 2053 CD1 PHE B 57 -18.346 13.038 6.188 1.00 0.00 C ATOM 2054 CD2 PHE B 57 -18.684 11.520 7.996 1.00 0.00 C ATOM 2055 CE1 PHE B 57 -19.711 13.199 6.062 1.00 0.00 C ATOM 2056 CE2 PHE B 57 -20.051 11.678 7.874 1.00 0.00 C ATOM 2057 CZ PHE B 57 -20.564 12.518 6.907 1.00 0.00 C ATOM 0 H PHE B 57 -13.881 12.235 7.580 1.00 0.00 H new ATOM 0 HA PHE B 57 -16.023 14.069 7.880 1.00 0.00 H new ATOM 0 HB2 PHE B 57 -15.873 12.098 6.302 1.00 0.00 H new ATOM 0 HB3 PHE B 57 -16.113 11.043 7.681 1.00 0.00 H new ATOM 0 HD1 PHE B 57 -17.682 13.573 5.525 1.00 0.00 H new ATOM 0 HD2 PHE B 57 -18.287 10.861 8.754 1.00 0.00 H new ATOM 0 HE1 PHE B 57 -20.111 13.856 5.304 1.00 0.00 H new ATOM 0 HE2 PHE B 57 -20.718 11.144 8.535 1.00 0.00 H new ATOM 0 HZ PHE B 57 -21.633 12.643 6.811 1.00 0.00 H new ATOM 2067 N ARG B 58 -15.397 11.995 10.347 1.00 0.00 N ATOM 2068 CA ARG B 58 -15.685 11.710 11.747 1.00 0.00 C ATOM 2069 C ARG B 58 -15.483 12.954 12.610 1.00 0.00 C ATOM 2070 O ARG B 58 -16.249 13.195 13.542 1.00 0.00 O ATOM 2071 CB ARG B 58 -14.825 10.548 12.253 1.00 0.00 C ATOM 2072 CG ARG B 58 -15.641 9.312 12.588 1.00 0.00 C ATOM 2073 CD ARG B 58 -16.499 9.551 13.819 1.00 0.00 C ATOM 2074 NE ARG B 58 -17.680 8.686 13.865 1.00 0.00 N ATOM 2075 CZ ARG B 58 -18.717 8.898 14.678 1.00 0.00 C ATOM 2076 NH1 ARG B 58 -18.663 9.873 15.575 1.00 0.00 N ATOM 2077 NH2 ARG B 58 -19.802 8.135 14.610 1.00 0.00 N ATOM 0 H ARG B 58 -14.604 11.478 9.967 1.00 0.00 H new ATOM 0 HA ARG B 58 -16.732 11.415 11.824 1.00 0.00 H new ATOM 0 HB2 ARG B 58 -14.084 10.294 11.495 1.00 0.00 H new ATOM 0 HB3 ARG B 58 -14.277 10.867 13.140 1.00 0.00 H new ATOM 0 HG2 ARG B 58 -16.276 9.049 11.742 1.00 0.00 H new ATOM 0 HG3 ARG B 58 -14.975 8.467 12.762 1.00 0.00 H new ATOM 0 HD2 ARG B 58 -15.898 9.385 14.713 1.00 0.00 H new ATOM 0 HD3 ARG B 58 -16.817 10.593 13.838 1.00 0.00 H new ATOM 0 HE ARG B 58 -17.712 7.879 13.243 1.00 0.00 H new ATOM 0 HH11 ARG B 58 -17.831 10.459 15.642 1.00 0.00 H new ATOM 0 HH12 ARG B 58 -19.454 10.037 16.198 1.00 0.00 H new ATOM 0 HH21 ARG B 58 -19.850 7.376 13.930 1.00 0.00 H new ATOM 0 HH22 ARG B 58 -20.587 8.308 15.237 1.00 0.00 H new ATOM 2091 N LYS B 59 -14.460 13.744 12.301 1.00 0.00 N ATOM 2092 CA LYS B 59 -14.274 15.033 12.967 1.00 0.00 C ATOM 2093 C LYS B 59 -15.414 15.978 12.607 1.00 0.00 C ATOM 2094 O LYS B 59 -15.985 16.646 13.473 1.00 0.00 O ATOM 2095 CB LYS B 59 -12.937 15.678 12.582 1.00 0.00 C ATOM 2096 CG LYS B 59 -11.787 15.366 13.531 1.00 0.00 C ATOM 2097 CD LYS B 59 -11.329 13.920 13.434 1.00 0.00 C ATOM 2098 CE LYS B 59 -10.141 13.656 14.345 1.00 0.00 C ATOM 2099 NZ LYS B 59 -9.626 12.270 14.203 1.00 0.00 N ATOM 0 H LYS B 59 -13.752 13.520 11.601 1.00 0.00 H new ATOM 0 HA LYS B 59 -14.270 14.851 14.042 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -12.664 15.347 11.580 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -13.070 16.759 12.536 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -10.948 16.025 13.309 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -12.097 15.578 14.554 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -12.151 13.257 13.703 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -11.058 13.690 12.403 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -9.344 14.364 14.116 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -10.433 13.830 15.381 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -9.067 12.020 15.043 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -10.425 11.611 14.110 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -9.025 12.208 13.356 1.00 0.00 H new ATOM 2113 N SER B 60 -15.748 16.006 11.325 1.00 0.00 N ATOM 2114 CA SER B 60 -16.798 16.878 10.818 1.00 0.00 C ATOM 2115 C SER B 60 -18.147 16.565 11.465 1.00 0.00 C ATOM 2116 O SER B 60 -18.785 17.445 12.045 1.00 0.00 O ATOM 2117 CB SER B 60 -16.895 16.739 9.298 1.00 0.00 C ATOM 2118 OG SER B 60 -15.651 17.033 8.677 1.00 0.00 O ATOM 0 H SER B 60 -15.303 15.429 10.611 1.00 0.00 H new ATOM 0 HA SER B 60 -16.540 17.906 11.073 1.00 0.00 H new ATOM 0 HB2 SER B 60 -17.203 15.725 9.041 1.00 0.00 H new ATOM 0 HB3 SER B 60 -17.663 17.411 8.916 1.00 0.00 H new ATOM 0 HG SER B 60 -15.019 16.304 8.850 1.00 0.00 H new ATOM 2124 N THR B 61 -18.560 15.308 11.392 1.00 0.00 N ATOM 2125 CA THR B 61 -19.874 14.906 11.876 1.00 0.00 C ATOM 2126 C THR B 61 -19.980 15.057 13.395 1.00 0.00 C ATOM 2127 O THR B 61 -21.053 15.361 13.915 1.00 0.00 O ATOM 2128 CB THR B 61 -20.234 13.457 11.460 1.00 0.00 C ATOM 2129 OG1 THR B 61 -21.597 13.169 11.795 1.00 0.00 O ATOM 2130 CG2 THR B 61 -19.329 12.434 12.132 1.00 0.00 C ATOM 0 H THR B 61 -18.004 14.547 11.002 1.00 0.00 H new ATOM 0 HA THR B 61 -20.593 15.577 11.406 1.00 0.00 H new ATOM 0 HB THR B 61 -20.092 13.386 10.382 1.00 0.00 H new ATOM 0 HG1 THR B 61 -21.813 12.252 11.526 1.00 0.00 H new ATOM 0 HG21 THR B 61 -19.614 11.431 11.814 1.00 0.00 H new ATOM 0 HG22 THR B 61 -18.293 12.623 11.850 1.00 0.00 H new ATOM 0 HG23 THR B 61 -19.430 12.514 13.214 1.00 0.00 H new