USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 1.08 (180deg=1.07) USER MOD Single : A 12 THR OG1 : rot -165:sc= -0.941 USER MOD Single : A 18 TYR OH : rot 156:sc= -0.0636 USER MOD Single : A 24 MET CE :methyl 151:sc= -1.46 (180deg=-6.28!) USER MOD Single : A 28 ASN : amide:sc=-0.00361 X(o=-0.0036,f=-0.12) USER MOD Single : A 38 ASN : amide:sc= -0.0027 X(o=-0.0027,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 52 THR OG1 : rot 74:sc= 0.124 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.976 K(o=-0.98,f=-3.7!) USER MOD Single : A 83 MET CE :methyl -156:sc= -0.788 (180deg=-1.68) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -3.5 K(o=-3.5,f=-6!) USER MOD Single : A 102 HIS : no HD1:sc= -4.87! C(o=-4.9!,f=-4.3!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LYS A 6 185.317 -9.839 2.062 1.00 0.00 N ATOM 81 CA LYS A 6 185.391 -8.905 0.944 1.00 0.00 C ATOM 82 C LYS A 6 184.290 -7.856 1.048 1.00 0.00 C ATOM 83 O LYS A 6 183.199 -8.136 1.543 1.00 0.00 O ATOM 84 CB LYS A 6 185.277 -9.655 -0.385 1.00 0.00 C ATOM 85 CG LYS A 6 183.940 -10.350 -0.579 1.00 0.00 C ATOM 86 CD LYS A 6 183.623 -10.547 -2.053 1.00 0.00 C ATOM 87 CE LYS A 6 183.462 -9.218 -2.774 1.00 0.00 C ATOM 88 NZ LYS A 6 184.344 -9.124 -3.969 1.00 0.00 N ATOM 0 HA LYS A 6 186.357 -8.401 0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 6 185.434 -8.953 -1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 6 186.074 -10.396 -0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 6 183.955 -11.317 -0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 6 183.151 -9.761 -0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 6 184.420 -11.122 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 6 182.707 -11.130 -2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 6 182.423 -9.094 -3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 6 183.692 -8.403 -2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 184.204 -8.203 -4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 185.337 -9.217 -3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 184.108 -9.886 -4.636 1.00 0.00 H new ATOM 102 N LYS A 7 184.583 -6.645 0.587 1.00 0.00 N ATOM 103 CA LYS A 7 183.616 -5.557 0.640 1.00 0.00 C ATOM 104 C LYS A 7 182.898 -5.381 -0.696 1.00 0.00 C ATOM 105 O LYS A 7 183.114 -6.143 -1.638 1.00 0.00 O ATOM 106 CB LYS A 7 184.308 -4.254 1.040 1.00 0.00 C ATOM 107 CG LYS A 7 185.264 -3.722 -0.013 1.00 0.00 C ATOM 108 CD LYS A 7 185.072 -2.232 -0.235 1.00 0.00 C ATOM 109 CE LYS A 7 185.283 -1.854 -1.693 1.00 0.00 C ATOM 110 NZ LYS A 7 184.512 -0.636 -2.068 1.00 0.00 N ATOM 0 H LYS A 7 185.481 -6.393 0.173 1.00 0.00 H new ATOM 0 HA LYS A 7 182.869 -5.812 1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 7 183.550 -3.498 1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 7 184.857 -4.414 1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 7 186.291 -3.916 0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 7 185.107 -4.254 -0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 7 184.068 -1.943 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 7 185.771 -1.677 0.391 1.00 0.00 H new ATOM 0 HE2 LYS A 7 186.344 -1.682 -1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 7 184.982 -2.685 -2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 184.709 -0.392 -3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 183.495 -0.820 -1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 184.793 0.155 -1.454 1.00 0.00 H new ATOM 124 N LEU A 8 182.046 -4.364 -0.763 1.00 0.00 N ATOM 125 CA LEU A 8 181.289 -4.068 -1.973 1.00 0.00 C ATOM 126 C LEU A 8 181.579 -2.653 -2.463 1.00 0.00 C ATOM 127 O LEU A 8 181.968 -1.782 -1.684 1.00 0.00 O ATOM 128 CB LEU A 8 179.790 -4.236 -1.713 1.00 0.00 C ATOM 129 CG LEU A 8 179.146 -5.423 -2.423 1.00 0.00 C ATOM 130 CD1 LEU A 8 177.965 -5.948 -1.622 1.00 0.00 C ATOM 131 CD2 LEU A 8 178.710 -5.030 -3.826 1.00 0.00 C ATOM 0 H LEU A 8 181.862 -3.727 0.012 1.00 0.00 H new ATOM 0 HA LEU A 8 181.597 -4.770 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.632 -4.343 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 8 179.278 -3.325 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 8 179.885 -6.220 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 8 177.519 -6.794 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 8 178.307 -6.268 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 8 177.222 -5.158 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 8 178.253 -5.888 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 8 177.986 -4.217 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 8 179.578 -4.703 -4.399 1.00 0.00 H new ATOM 143 N ASP A 9 181.383 -2.430 -3.758 1.00 0.00 N ATOM 144 CA ASP A 9 181.620 -1.119 -4.352 1.00 0.00 C ATOM 145 C ASP A 9 180.407 -0.211 -4.158 1.00 0.00 C ATOM 146 O ASP A 9 179.269 -0.679 -4.132 1.00 0.00 O ATOM 147 CB ASP A 9 181.935 -1.261 -5.842 1.00 0.00 C ATOM 148 CG ASP A 9 183.425 -1.322 -6.115 1.00 0.00 C ATOM 149 OD1 ASP A 9 184.016 -2.408 -5.943 1.00 0.00 O ATOM 150 OD2 ASP A 9 184.001 -0.283 -6.503 1.00 0.00 O ATOM 0 H ASP A 9 181.061 -3.139 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 9 182.475 -0.666 -3.851 1.00 0.00 H new ATOM 0 HB2 ASP A 9 181.461 -2.164 -6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 9 181.503 -0.419 -6.384 1.00 0.00 H new ATOM 155 N PRO A 10 180.635 1.106 -4.016 1.00 0.00 N ATOM 156 CA PRO A 10 179.553 2.078 -3.822 1.00 0.00 C ATOM 157 C PRO A 10 178.469 1.961 -4.888 1.00 0.00 C ATOM 158 O PRO A 10 177.290 1.800 -4.574 1.00 0.00 O ATOM 159 CB PRO A 10 180.263 3.429 -3.928 1.00 0.00 C ATOM 160 CG PRO A 10 181.675 3.146 -3.549 1.00 0.00 C ATOM 161 CD PRO A 10 181.961 1.751 -4.032 1.00 0.00 C ATOM 0 HA PRO A 10 179.037 1.927 -2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 10 180.198 3.832 -4.939 1.00 0.00 H new ATOM 0 HB3 PRO A 10 179.814 4.165 -3.261 1.00 0.00 H new ATOM 0 HG2 PRO A 10 182.354 3.865 -4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 10 181.812 3.221 -2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 10 182.395 1.753 -5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 10 182.666 1.236 -3.379 1.00 0.00 H new ATOM 169 N ASP A 11 178.876 2.046 -6.151 1.00 0.00 N ATOM 170 CA ASP A 11 177.938 1.953 -7.264 1.00 0.00 C ATOM 171 C ASP A 11 177.324 0.558 -7.350 1.00 0.00 C ATOM 172 O ASP A 11 176.197 0.394 -7.816 1.00 0.00 O ATOM 173 CB ASP A 11 178.641 2.293 -8.580 1.00 0.00 C ATOM 174 CG ASP A 11 177.672 2.411 -9.740 1.00 0.00 C ATOM 175 OD1 ASP A 11 176.848 3.350 -9.732 1.00 0.00 O ATOM 176 OD2 ASP A 11 177.736 1.563 -10.655 1.00 0.00 O ATOM 0 H ASP A 11 179.848 2.179 -6.429 1.00 0.00 H new ATOM 0 HA ASP A 11 177.137 2.671 -7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 11 179.184 3.231 -8.467 1.00 0.00 H new ATOM 0 HB3 ASP A 11 179.379 1.523 -8.804 1.00 0.00 H new ATOM 181 N THR A 12 178.073 -0.444 -6.900 1.00 0.00 N ATOM 182 CA THR A 12 177.600 -1.824 -6.930 1.00 0.00 C ATOM 183 C THR A 12 176.525 -2.058 -5.872 1.00 0.00 C ATOM 184 O THR A 12 175.495 -2.676 -6.146 1.00 0.00 O ATOM 185 CB THR A 12 178.766 -2.790 -6.711 1.00 0.00 C ATOM 186 OG1 THR A 12 179.789 -2.565 -7.666 1.00 0.00 O ATOM 187 CG2 THR A 12 178.362 -4.246 -6.805 1.00 0.00 C ATOM 0 H THR A 12 179.009 -0.327 -6.511 1.00 0.00 H new ATOM 0 HA THR A 12 177.163 -2.008 -7.911 1.00 0.00 H new ATOM 0 HB THR A 12 179.120 -2.592 -5.699 1.00 0.00 H new ATOM 0 HG1 THR A 12 180.407 -3.326 -7.669 1.00 0.00 H new ATOM 0 HG21 THR A 12 179.235 -4.877 -6.640 1.00 0.00 H new ATOM 0 HG22 THR A 12 177.608 -4.464 -6.048 1.00 0.00 H new ATOM 0 HG23 THR A 12 177.951 -4.446 -7.794 1.00 0.00 H new ATOM 195 N ALA A 13 176.769 -1.559 -4.664 1.00 0.00 N ATOM 196 CA ALA A 13 175.819 -1.713 -3.568 1.00 0.00 C ATOM 197 C ALA A 13 174.498 -1.021 -3.886 1.00 0.00 C ATOM 198 O ALA A 13 173.425 -1.528 -3.559 1.00 0.00 O ATOM 199 CB ALA A 13 176.410 -1.162 -2.279 1.00 0.00 C ATOM 0 H ALA A 13 177.616 -1.045 -4.420 1.00 0.00 H new ATOM 0 HA ALA A 13 175.619 -2.777 -3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 13 175.691 -1.283 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 13 177.324 -1.704 -2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 13 176.638 -0.104 -2.407 1.00 0.00 H new ATOM 205 N ILE A 14 174.584 0.139 -4.529 1.00 0.00 N ATOM 206 CA ILE A 14 173.394 0.899 -4.894 1.00 0.00 C ATOM 207 C ILE A 14 172.600 0.175 -5.976 1.00 0.00 C ATOM 208 O ILE A 14 171.423 -0.136 -5.791 1.00 0.00 O ATOM 209 CB ILE A 14 173.758 2.314 -5.386 1.00 0.00 C ATOM 210 CG1 ILE A 14 174.584 3.046 -4.327 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.500 3.103 -5.721 1.00 0.00 C ATOM 212 CD1 ILE A 14 175.428 4.171 -4.886 1.00 0.00 C ATOM 0 H ILE A 14 175.464 0.573 -4.808 1.00 0.00 H new ATOM 0 HA ILE A 14 172.782 0.989 -3.997 1.00 0.00 H new ATOM 0 HB ILE A 14 174.356 2.223 -6.293 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.912 3.449 -3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 14 175.235 2.329 -3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 14 172.776 4.099 -6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 14 171.945 2.588 -6.505 1.00 0.00 H new ATOM 0 HG23 ILE A 14 171.876 3.188 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.986 4.644 -4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 14 176.125 3.771 -5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 14 174.782 4.909 -5.361 1.00 0.00 H new ATOM 224 N ASP A 15 173.252 -0.087 -7.107 1.00 0.00 N ATOM 225 CA ASP A 15 172.611 -0.775 -8.228 1.00 0.00 C ATOM 226 C ASP A 15 171.772 -1.957 -7.745 1.00 0.00 C ATOM 227 O ASP A 15 170.626 -2.131 -8.164 1.00 0.00 O ATOM 228 CB ASP A 15 173.666 -1.259 -9.224 1.00 0.00 C ATOM 229 CG ASP A 15 173.162 -1.244 -10.654 1.00 0.00 C ATOM 230 OD1 ASP A 15 173.191 -0.165 -11.282 1.00 0.00 O ATOM 231 OD2 ASP A 15 172.738 -2.311 -11.144 1.00 0.00 O ATOM 0 H ASP A 15 174.226 0.167 -7.272 1.00 0.00 H new ATOM 0 HA ASP A 15 171.948 -0.065 -8.722 1.00 0.00 H new ATOM 0 HB2 ASP A 15 174.551 -0.627 -9.147 1.00 0.00 H new ATOM 0 HB3 ASP A 15 173.973 -2.271 -8.961 1.00 0.00 H new ATOM 236 N ILE A 16 172.344 -2.758 -6.850 1.00 0.00 N ATOM 237 CA ILE A 16 171.638 -3.909 -6.306 1.00 0.00 C ATOM 238 C ILE A 16 170.554 -3.462 -5.333 1.00 0.00 C ATOM 239 O ILE A 16 169.459 -4.022 -5.308 1.00 0.00 O ATOM 240 CB ILE A 16 172.597 -4.880 -5.588 1.00 0.00 C ATOM 241 CG1 ILE A 16 173.766 -5.246 -6.503 1.00 0.00 C ATOM 242 CG2 ILE A 16 171.856 -6.133 -5.153 1.00 0.00 C ATOM 243 CD1 ILE A 16 175.091 -5.351 -5.779 1.00 0.00 C ATOM 0 H ILE A 16 173.289 -2.630 -6.489 1.00 0.00 H new ATOM 0 HA ILE A 16 171.183 -4.432 -7.147 1.00 0.00 H new ATOM 0 HB ILE A 16 172.991 -4.384 -4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 16 173.551 -6.197 -6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 16 173.850 -4.496 -7.290 1.00 0.00 H new ATOM 0 HG21 ILE A 16 172.547 -6.808 -4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 16 171.051 -5.861 -4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 16 171.438 -6.631 -6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 16 175.874 -5.614 -6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 16 175.329 -4.394 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 16 175.026 -6.121 -5.010 1.00 0.00 H new ATOM 255 N ALA A 17 170.863 -2.441 -4.540 1.00 0.00 N ATOM 256 CA ALA A 17 169.912 -1.911 -3.573 1.00 0.00 C ATOM 257 C ALA A 17 168.667 -1.384 -4.275 1.00 0.00 C ATOM 258 O ALA A 17 167.542 -1.723 -3.907 1.00 0.00 O ATOM 259 CB ALA A 17 170.560 -0.813 -2.745 1.00 0.00 C ATOM 0 H ALA A 17 171.765 -1.965 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 17 169.611 -2.720 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 17 169.838 -0.425 -2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 17 171.420 -1.218 -2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.887 -0.007 -3.402 1.00 0.00 H new ATOM 265 N TYR A 18 168.879 -0.558 -5.296 1.00 0.00 N ATOM 266 CA TYR A 18 167.778 0.013 -6.062 1.00 0.00 C ATOM 267 C TYR A 18 166.887 -1.093 -6.618 1.00 0.00 C ATOM 268 O TYR A 18 165.659 -1.007 -6.559 1.00 0.00 O ATOM 269 CB TYR A 18 168.323 0.875 -7.203 1.00 0.00 C ATOM 270 CG TYR A 18 167.291 1.785 -7.831 1.00 0.00 C ATOM 271 CD1 TYR A 18 166.450 1.323 -8.835 1.00 0.00 C ATOM 272 CD2 TYR A 18 167.162 3.106 -7.422 1.00 0.00 C ATOM 273 CE1 TYR A 18 165.510 2.153 -9.415 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.224 3.942 -7.997 1.00 0.00 C ATOM 275 CZ TYR A 18 165.400 3.461 -8.993 1.00 0.00 C ATOM 276 OH TYR A 18 164.466 4.290 -9.570 1.00 0.00 O ATOM 0 H TYR A 18 169.805 -0.270 -5.611 1.00 0.00 H new ATOM 0 HA TYR A 18 167.181 0.640 -5.400 1.00 0.00 H new ATOM 0 HB2 TYR A 18 169.146 1.482 -6.826 1.00 0.00 H new ATOM 0 HB3 TYR A 18 168.735 0.223 -7.973 1.00 0.00 H new ATOM 0 HD1 TYR A 18 166.532 0.299 -9.168 1.00 0.00 H new ATOM 0 HD2 TYR A 18 167.805 3.486 -6.642 1.00 0.00 H new ATOM 0 HE1 TYR A 18 164.864 1.779 -10.196 1.00 0.00 H new ATOM 0 HE2 TYR A 18 166.137 4.967 -7.668 1.00 0.00 H new ATOM 0 HH TYR A 18 164.243 5.014 -8.949 1.00 0.00 H new ATOM 286 N ASP A 19 167.517 -2.139 -7.146 1.00 0.00 N ATOM 287 CA ASP A 19 166.783 -3.269 -7.699 1.00 0.00 C ATOM 288 C ASP A 19 165.940 -3.937 -6.617 1.00 0.00 C ATOM 289 O ASP A 19 164.832 -4.407 -6.877 1.00 0.00 O ATOM 290 CB ASP A 19 167.750 -4.285 -8.311 1.00 0.00 C ATOM 291 CG ASP A 19 167.250 -4.837 -9.631 1.00 0.00 C ATOM 292 OD1 ASP A 19 166.449 -5.795 -9.609 1.00 0.00 O ATOM 293 OD2 ASP A 19 167.659 -4.311 -10.688 1.00 0.00 O ATOM 0 H ASP A 19 168.532 -2.226 -7.202 1.00 0.00 H new ATOM 0 HA ASP A 19 166.121 -2.899 -8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 19 168.721 -3.813 -8.462 1.00 0.00 H new ATOM 0 HB3 ASP A 19 167.901 -5.106 -7.611 1.00 0.00 H new ATOM 298 N ILE A 20 166.471 -3.963 -5.397 1.00 0.00 N ATOM 299 CA ILE A 20 165.769 -4.561 -4.268 1.00 0.00 C ATOM 300 C ILE A 20 164.514 -3.762 -3.929 1.00 0.00 C ATOM 301 O ILE A 20 163.444 -4.329 -3.717 1.00 0.00 O ATOM 302 CB ILE A 20 166.674 -4.637 -3.016 1.00 0.00 C ATOM 303 CG1 ILE A 20 167.851 -5.583 -3.259 1.00 0.00 C ATOM 304 CG2 ILE A 20 165.878 -5.087 -1.797 1.00 0.00 C ATOM 305 CD1 ILE A 20 169.039 -5.306 -2.362 1.00 0.00 C ATOM 0 H ILE A 20 167.386 -3.576 -5.166 1.00 0.00 H new ATOM 0 HA ILE A 20 165.490 -5.573 -4.562 1.00 0.00 H new ATOM 0 HB ILE A 20 167.064 -3.638 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 20 167.520 -6.610 -3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 20 168.164 -5.502 -4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 20 166.536 -5.133 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 20 165.074 -4.377 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 20 165.454 -6.074 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 20 169.838 -6.013 -2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 20 169.395 -4.290 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 20 168.741 -5.415 -1.319 1.00 0.00 H new ATOM 317 N PHE A 21 164.655 -2.442 -3.881 1.00 0.00 N ATOM 318 CA PHE A 21 163.543 -1.554 -3.567 1.00 0.00 C ATOM 319 C PHE A 21 162.353 -1.798 -4.490 1.00 0.00 C ATOM 320 O PHE A 21 161.258 -2.121 -4.036 1.00 0.00 O ATOM 321 CB PHE A 21 164.009 -0.100 -3.687 1.00 0.00 C ATOM 322 CG PHE A 21 162.993 0.918 -3.250 1.00 0.00 C ATOM 323 CD1 PHE A 21 162.113 0.649 -2.214 1.00 0.00 C ATOM 324 CD2 PHE A 21 162.926 2.152 -3.878 1.00 0.00 C ATOM 325 CE1 PHE A 21 161.185 1.593 -1.813 1.00 0.00 C ATOM 326 CE2 PHE A 21 162.001 3.098 -3.482 1.00 0.00 C ATOM 327 CZ PHE A 21 161.129 2.818 -2.448 1.00 0.00 C ATOM 0 H PHE A 21 165.537 -1.961 -4.057 1.00 0.00 H new ATOM 0 HA PHE A 21 163.217 -1.758 -2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 21 164.913 0.029 -3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 21 164.279 0.097 -4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 21 162.152 -0.308 -1.714 1.00 0.00 H new ATOM 0 HD2 PHE A 21 163.606 2.376 -4.687 1.00 0.00 H new ATOM 0 HE1 PHE A 21 160.505 1.372 -1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 21 161.960 4.055 -3.980 1.00 0.00 H new ATOM 0 HZ PHE A 21 160.405 3.556 -2.137 1.00 0.00 H new ATOM 337 N LEU A 22 162.573 -1.628 -5.787 1.00 0.00 N ATOM 338 CA LEU A 22 161.514 -1.815 -6.774 1.00 0.00 C ATOM 339 C LEU A 22 161.014 -3.260 -6.817 1.00 0.00 C ATOM 340 O LEU A 22 159.972 -3.540 -7.409 1.00 0.00 O ATOM 341 CB LEU A 22 162.011 -1.403 -8.162 1.00 0.00 C ATOM 342 CG LEU A 22 162.132 0.104 -8.390 1.00 0.00 C ATOM 343 CD1 LEU A 22 160.755 0.735 -8.474 1.00 0.00 C ATOM 344 CD2 LEU A 22 162.955 0.750 -7.284 1.00 0.00 C ATOM 0 H LEU A 22 163.475 -1.361 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 22 160.678 -1.182 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 22 162.986 -1.859 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 22 161.333 -1.814 -8.910 1.00 0.00 H new ATOM 0 HG LEU A 22 162.647 0.272 -9.336 1.00 0.00 H new ATOM 0 HD11 LEU A 22 160.856 1.808 -8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 22 160.202 0.293 -9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 22 160.216 0.558 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 22 163.029 1.822 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 22 162.472 0.577 -6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 22 163.954 0.314 -7.272 1.00 0.00 H new ATOM 356 N GLU A 23 161.765 -4.179 -6.216 1.00 0.00 N ATOM 357 CA GLU A 23 161.390 -5.588 -6.227 1.00 0.00 C ATOM 358 C GLU A 23 160.583 -5.989 -4.986 1.00 0.00 C ATOM 359 O GLU A 23 159.473 -6.507 -5.104 1.00 0.00 O ATOM 360 CB GLU A 23 162.653 -6.451 -6.351 1.00 0.00 C ATOM 361 CG GLU A 23 162.580 -7.780 -5.618 1.00 0.00 C ATOM 362 CD GLU A 23 163.541 -8.810 -6.178 1.00 0.00 C ATOM 363 OE1 GLU A 23 164.756 -8.695 -5.913 1.00 0.00 O ATOM 364 OE2 GLU A 23 163.078 -9.732 -6.884 1.00 0.00 O ATOM 0 H GLU A 23 162.632 -3.974 -5.718 1.00 0.00 H new ATOM 0 HA GLU A 23 160.742 -5.755 -7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 23 162.845 -6.642 -7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 23 163.503 -5.886 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 23 162.799 -7.621 -4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 23 161.563 -8.168 -5.677 1.00 0.00 H new ATOM 371 N MET A 24 161.156 -5.783 -3.803 1.00 0.00 N ATOM 372 CA MET A 24 160.492 -6.163 -2.558 1.00 0.00 C ATOM 373 C MET A 24 159.500 -5.111 -2.066 1.00 0.00 C ATOM 374 O MET A 24 158.439 -5.454 -1.544 1.00 0.00 O ATOM 375 CB MET A 24 161.535 -6.436 -1.475 1.00 0.00 C ATOM 376 CG MET A 24 162.625 -5.379 -1.393 1.00 0.00 C ATOM 377 SD MET A 24 163.149 -5.010 0.296 1.00 0.00 S ATOM 378 CE MET A 24 162.769 -6.539 1.148 1.00 0.00 C ATOM 0 H MET A 24 162.075 -5.357 -3.680 1.00 0.00 H new ATOM 0 HA MET A 24 159.920 -7.067 -2.768 1.00 0.00 H new ATOM 0 HB2 MET A 24 161.034 -6.503 -0.509 1.00 0.00 H new ATOM 0 HB3 MET A 24 161.996 -7.406 -1.663 1.00 0.00 H new ATOM 0 HG2 MET A 24 163.489 -5.714 -1.967 1.00 0.00 H new ATOM 0 HG3 MET A 24 162.267 -4.462 -1.862 1.00 0.00 H new ATOM 0 HE1 MET A 24 163.455 -6.669 1.985 1.00 0.00 H new ATOM 0 HE2 MET A 24 161.745 -6.503 1.520 1.00 0.00 H new ATOM 0 HE3 MET A 24 162.875 -7.376 0.458 1.00 0.00 H new ATOM 388 N ALA A 25 159.841 -3.835 -2.214 1.00 0.00 N ATOM 389 CA ALA A 25 158.963 -2.760 -1.759 1.00 0.00 C ATOM 390 C ALA A 25 157.567 -2.887 -2.358 1.00 0.00 C ATOM 391 O ALA A 25 157.395 -3.415 -3.457 1.00 0.00 O ATOM 392 CB ALA A 25 159.563 -1.405 -2.096 1.00 0.00 C ATOM 0 H ALA A 25 160.712 -3.520 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 25 158.869 -2.845 -0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 25 158.896 -0.615 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 25 160.531 -1.303 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 25 159.693 -1.323 -3.175 1.00 0.00 H new ATOM 398 N GLY A 26 156.572 -2.397 -1.625 1.00 0.00 N ATOM 399 CA GLY A 26 155.201 -2.462 -2.093 1.00 0.00 C ATOM 400 C GLY A 26 154.207 -2.593 -0.955 1.00 0.00 C ATOM 401 O GLY A 26 154.029 -1.665 -0.167 1.00 0.00 O ATOM 0 H GLY A 26 156.692 -1.955 -0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 26 154.974 -1.565 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 26 155.090 -3.311 -2.768 1.00 0.00 H new ATOM 405 N GLU A 27 153.560 -3.751 -0.868 1.00 0.00 N ATOM 406 CA GLU A 27 152.577 -4.003 0.184 1.00 0.00 C ATOM 407 C GLU A 27 153.250 -4.233 1.539 1.00 0.00 C ATOM 408 O GLU A 27 152.572 -4.392 2.554 1.00 0.00 O ATOM 409 CB GLU A 27 151.708 -5.209 -0.181 1.00 0.00 C ATOM 410 CG GLU A 27 150.280 -4.837 -0.548 1.00 0.00 C ATOM 411 CD GLU A 27 149.349 -6.033 -0.548 1.00 0.00 C ATOM 412 OE1 GLU A 27 148.977 -6.496 0.550 1.00 0.00 O ATOM 413 OE2 GLU A 27 148.990 -6.506 -1.647 1.00 0.00 O ATOM 0 H GLU A 27 153.697 -4.530 -1.512 1.00 0.00 H new ATOM 0 HA GLU A 27 151.947 -3.117 0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 27 152.165 -5.736 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 27 151.690 -5.902 0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 27 149.910 -4.093 0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 27 150.271 -4.374 -1.535 1.00 0.00 H new ATOM 420 N ASN A 28 154.581 -4.248 1.554 1.00 0.00 N ATOM 421 CA ASN A 28 155.328 -4.456 2.791 1.00 0.00 C ATOM 422 C ASN A 28 155.804 -3.129 3.379 1.00 0.00 C ATOM 423 O ASN A 28 156.369 -3.097 4.471 1.00 0.00 O ATOM 424 CB ASN A 28 156.537 -5.364 2.543 1.00 0.00 C ATOM 425 CG ASN A 28 156.265 -6.429 1.498 1.00 0.00 C ATOM 426 OD1 ASN A 28 156.528 -6.232 0.312 1.00 0.00 O ATOM 427 ND2 ASN A 28 155.734 -7.566 1.934 1.00 0.00 N ATOM 0 H ASN A 28 155.162 -4.119 0.726 1.00 0.00 H new ATOM 0 HA ASN A 28 154.656 -4.934 3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 28 157.384 -4.756 2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 28 156.824 -5.844 3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 28 155.528 -8.318 1.276 1.00 0.00 H new ATOM 0 HD22 ASN A 28 155.532 -7.687 2.926 1.00 0.00 H new ATOM 434 N LEU A 29 155.587 -2.038 2.647 1.00 0.00 N ATOM 435 CA LEU A 29 156.014 -0.721 3.103 1.00 0.00 C ATOM 436 C LEU A 29 154.836 0.099 3.626 1.00 0.00 C ATOM 437 O LEU A 29 155.009 0.987 4.460 1.00 0.00 O ATOM 438 CB LEU A 29 156.759 -0.005 1.966 1.00 0.00 C ATOM 439 CG LEU A 29 156.745 1.528 2.001 1.00 0.00 C ATOM 440 CD1 LEU A 29 158.135 2.088 1.740 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.762 2.066 0.970 1.00 0.00 C ATOM 0 H LEU A 29 155.120 -2.042 1.740 1.00 0.00 H new ATOM 0 HA LEU A 29 156.699 -0.838 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 29 157.797 -0.337 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 29 156.329 -0.329 1.018 1.00 0.00 H new ATOM 0 HG LEU A 29 156.429 1.845 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 29 158.100 3.177 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.823 1.726 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 29 158.480 1.763 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.760 3.155 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 29 156.060 1.734 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.762 1.694 1.192 1.00 0.00 H new ATOM 453 N ASP A 30 153.650 -0.228 3.131 1.00 0.00 N ATOM 454 CA ASP A 30 152.389 0.432 3.520 1.00 0.00 C ATOM 455 C ASP A 30 151.881 1.361 2.417 1.00 0.00 C ATOM 456 O ASP A 30 152.655 2.098 1.811 1.00 0.00 O ATOM 457 CB ASP A 30 152.541 1.217 4.830 1.00 0.00 C ATOM 458 CG ASP A 30 151.204 1.615 5.426 1.00 0.00 C ATOM 459 OD1 ASP A 30 150.674 2.677 5.036 1.00 0.00 O ATOM 460 OD2 ASP A 30 150.688 0.865 6.281 1.00 0.00 O ATOM 0 H ASP A 30 153.524 -0.967 2.439 1.00 0.00 H new ATOM 0 HA ASP A 30 151.656 -0.360 3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 30 153.091 0.612 5.551 1.00 0.00 H new ATOM 0 HB3 ASP A 30 153.135 2.113 4.647 1.00 0.00 H new ATOM 465 N PRO A 31 150.560 1.338 2.141 1.00 0.00 N ATOM 466 CA PRO A 31 149.941 2.173 1.108 1.00 0.00 C ATOM 467 C PRO A 31 150.452 3.612 1.117 1.00 0.00 C ATOM 468 O PRO A 31 150.984 4.095 0.119 1.00 0.00 O ATOM 469 CB PRO A 31 148.439 2.133 1.447 1.00 0.00 C ATOM 470 CG PRO A 31 148.320 1.344 2.714 1.00 0.00 C ATOM 471 CD PRO A 31 149.559 0.502 2.809 1.00 0.00 C ATOM 0 HA PRO A 31 150.175 1.802 0.110 1.00 0.00 H new ATOM 0 HB2 PRO A 31 148.042 3.140 1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 31 147.870 1.667 0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 31 148.233 2.005 3.576 1.00 0.00 H new ATOM 0 HG3 PRO A 31 147.427 0.720 2.700 1.00 0.00 H new ATOM 0 HD2 PRO A 31 149.830 0.293 3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 31 149.436 -0.460 2.311 1.00 0.00 H new ATOM 479 N ALA A 32 150.282 4.297 2.244 1.00 0.00 N ATOM 480 CA ALA A 32 150.726 5.683 2.367 1.00 0.00 C ATOM 481 C ALA A 32 152.158 5.848 1.869 1.00 0.00 C ATOM 482 O ALA A 32 152.426 6.626 0.951 1.00 0.00 O ATOM 483 CB ALA A 32 150.609 6.148 3.811 1.00 0.00 C ATOM 0 H ALA A 32 149.842 3.918 3.082 1.00 0.00 H new ATOM 0 HA ALA A 32 150.080 6.302 1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 32 150.943 7.183 3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 32 149.570 6.077 4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 32 151.230 5.518 4.448 1.00 0.00 H new ATOM 489 N ASP A 33 153.075 5.108 2.484 1.00 0.00 N ATOM 490 CA ASP A 33 154.481 5.173 2.103 1.00 0.00 C ATOM 491 C ASP A 33 154.650 4.838 0.621 1.00 0.00 C ATOM 492 O ASP A 33 155.563 5.340 -0.038 1.00 0.00 O ATOM 493 CB ASP A 33 155.323 4.236 2.976 1.00 0.00 C ATOM 494 CG ASP A 33 155.689 4.866 4.306 1.00 0.00 C ATOM 495 OD1 ASP A 33 156.675 5.630 4.349 1.00 0.00 O ATOM 496 OD2 ASP A 33 154.989 4.595 5.304 1.00 0.00 O ATOM 0 H ASP A 33 152.871 4.460 3.244 1.00 0.00 H new ATOM 0 HA ASP A 33 154.835 6.191 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 33 154.771 3.313 3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 33 156.234 3.965 2.442 1.00 0.00 H new ATOM 501 N ILE A 34 153.745 4.013 0.090 1.00 0.00 N ATOM 502 CA ILE A 34 153.785 3.648 -1.323 1.00 0.00 C ATOM 503 C ILE A 34 153.371 4.841 -2.173 1.00 0.00 C ATOM 504 O ILE A 34 154.050 5.210 -3.131 1.00 0.00 O ATOM 505 CB ILE A 34 152.846 2.462 -1.648 1.00 0.00 C ATOM 506 CG1 ILE A 34 153.276 1.202 -0.898 1.00 0.00 C ATOM 507 CG2 ILE A 34 152.818 2.197 -3.147 1.00 0.00 C ATOM 508 CD1 ILE A 34 152.157 0.197 -0.729 1.00 0.00 C ATOM 0 H ILE A 34 152.981 3.589 0.616 1.00 0.00 H new ATOM 0 HA ILE A 34 154.808 3.346 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 34 151.842 2.730 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 34 154.100 0.731 -1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.654 1.483 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 34 152.152 1.360 -3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 34 152.458 3.085 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 34 153.823 1.956 -3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 34 152.529 -0.674 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 34 151.341 0.652 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 34 151.794 -0.112 -1.709 1.00 0.00 H new ATOM 520 N LEU A 35 152.243 5.437 -1.802 1.00 0.00 N ATOM 521 CA LEU A 35 151.704 6.595 -2.506 1.00 0.00 C ATOM 522 C LEU A 35 152.792 7.627 -2.790 1.00 0.00 C ATOM 523 O LEU A 35 153.139 7.875 -3.944 1.00 0.00 O ATOM 524 CB LEU A 35 150.584 7.227 -1.676 1.00 0.00 C ATOM 525 CG LEU A 35 149.919 8.454 -2.300 1.00 0.00 C ATOM 526 CD1 LEU A 35 148.718 8.042 -3.137 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.507 9.442 -1.220 1.00 0.00 C ATOM 0 H LEU A 35 151.679 5.133 -1.009 1.00 0.00 H new ATOM 0 HA LEU A 35 151.304 6.259 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.819 6.472 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 35 150.990 7.509 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 35 150.640 8.943 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 35 148.257 8.928 -3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 35 149.042 7.372 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 35 147.993 7.530 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 35 149.035 10.310 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 35 148.802 8.964 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.388 9.761 -0.664 1.00 0.00 H new ATOM 539 N LEU A 36 153.324 8.227 -1.730 1.00 0.00 N ATOM 540 CA LEU A 36 154.371 9.237 -1.867 1.00 0.00 C ATOM 541 C LEU A 36 155.547 8.711 -2.690 1.00 0.00 C ATOM 542 O LEU A 36 156.172 9.454 -3.442 1.00 0.00 O ATOM 543 CB LEU A 36 154.856 9.681 -0.486 1.00 0.00 C ATOM 544 CG LEU A 36 155.839 10.852 -0.487 1.00 0.00 C ATOM 545 CD1 LEU A 36 155.134 12.141 -0.881 1.00 0.00 C ATOM 546 CD2 LEU A 36 156.494 10.995 0.879 1.00 0.00 C ATOM 0 H LEU A 36 153.049 8.033 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 36 153.947 10.092 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 36 153.989 9.956 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.329 8.831 0.006 1.00 0.00 H new ATOM 0 HG LEU A 36 156.617 10.650 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 36 155.850 12.963 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 36 154.711 12.034 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 36 154.335 12.351 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 36 157.191 11.833 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 36 155.728 11.175 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 36 157.033 10.079 1.122 1.00 0.00 H new ATOM 558 N PHE A 37 155.839 7.425 -2.543 1.00 0.00 N ATOM 559 CA PHE A 37 156.935 6.801 -3.276 1.00 0.00 C ATOM 560 C PHE A 37 156.618 6.725 -4.771 1.00 0.00 C ATOM 561 O PHE A 37 157.513 6.804 -5.610 1.00 0.00 O ATOM 562 CB PHE A 37 157.209 5.396 -2.719 1.00 0.00 C ATOM 563 CG PHE A 37 158.044 4.525 -3.622 1.00 0.00 C ATOM 564 CD1 PHE A 37 159.096 5.061 -4.348 1.00 0.00 C ATOM 565 CD2 PHE A 37 157.772 3.172 -3.746 1.00 0.00 C ATOM 566 CE1 PHE A 37 159.858 4.264 -5.180 1.00 0.00 C ATOM 567 CE2 PHE A 37 158.532 2.370 -4.576 1.00 0.00 C ATOM 568 CZ PHE A 37 159.577 2.917 -5.293 1.00 0.00 C ATOM 0 H PHE A 37 155.333 6.793 -1.923 1.00 0.00 H new ATOM 0 HA PHE A 37 157.827 7.414 -3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 37 157.713 5.491 -1.757 1.00 0.00 H new ATOM 0 HB3 PHE A 37 156.257 4.899 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.322 6.114 -4.262 1.00 0.00 H new ATOM 0 HD2 PHE A 37 156.956 2.739 -3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 37 160.674 4.695 -5.742 1.00 0.00 H new ATOM 0 HE2 PHE A 37 158.309 1.317 -4.664 1.00 0.00 H new ATOM 0 HZ PHE A 37 160.174 2.292 -5.941 1.00 0.00 H new ATOM 578 N ASN A 38 155.342 6.556 -5.097 1.00 0.00 N ATOM 579 CA ASN A 38 154.917 6.450 -6.490 1.00 0.00 C ATOM 580 C ASN A 38 154.808 7.816 -7.169 1.00 0.00 C ATOM 581 O ASN A 38 155.500 8.087 -8.150 1.00 0.00 O ATOM 582 CB ASN A 38 153.574 5.720 -6.574 1.00 0.00 C ATOM 583 CG ASN A 38 153.729 4.275 -7.007 1.00 0.00 C ATOM 584 OD1 ASN A 38 153.074 3.822 -7.946 1.00 0.00 O ATOM 585 ND2 ASN A 38 154.600 3.542 -6.323 1.00 0.00 N ATOM 0 H ASN A 38 154.584 6.489 -4.418 1.00 0.00 H new ATOM 0 HA ASN A 38 155.682 5.881 -7.019 1.00 0.00 H new ATOM 0 HB2 ASN A 38 153.083 5.755 -5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 38 152.924 6.240 -7.278 1.00 0.00 H new ATOM 0 HD21 ASN A 38 154.747 2.563 -6.569 1.00 0.00 H new ATOM 0 HD22 ASN A 38 155.122 3.958 -5.552 1.00 0.00 H new ATOM 592 N LEU A 39 153.918 8.662 -6.658 1.00 0.00 N ATOM 593 CA LEU A 39 153.699 9.988 -7.235 1.00 0.00 C ATOM 594 C LEU A 39 154.997 10.781 -7.380 1.00 0.00 C ATOM 595 O LEU A 39 155.078 11.694 -8.201 1.00 0.00 O ATOM 596 CB LEU A 39 152.700 10.785 -6.389 1.00 0.00 C ATOM 597 CG LEU A 39 151.260 10.259 -6.389 1.00 0.00 C ATOM 598 CD1 LEU A 39 150.860 9.752 -7.768 1.00 0.00 C ATOM 599 CD2 LEU A 39 151.101 9.164 -5.347 1.00 0.00 C ATOM 0 H LEU A 39 153.336 8.455 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 39 153.291 9.833 -8.234 1.00 0.00 H new ATOM 0 HB2 LEU A 39 153.059 10.807 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 39 152.691 11.815 -6.745 1.00 0.00 H new ATOM 0 HG LEU A 39 150.595 11.084 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 39 149.834 9.385 -7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 39 150.933 10.565 -8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 39 151.526 8.942 -8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 39 150.074 8.799 -5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 39 151.780 8.343 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 39 151.334 9.564 -4.360 1.00 0.00 H new ATOM 611 N GLN A 40 156.007 10.444 -6.585 1.00 0.00 N ATOM 612 CA GLN A 40 157.281 11.154 -6.653 1.00 0.00 C ATOM 613 C GLN A 40 158.463 10.221 -6.415 1.00 0.00 C ATOM 614 O GLN A 40 158.632 9.668 -5.328 1.00 0.00 O ATOM 615 CB GLN A 40 157.322 12.319 -5.651 1.00 0.00 C ATOM 616 CG GLN A 40 156.375 12.170 -4.467 1.00 0.00 C ATOM 617 CD GLN A 40 155.351 13.288 -4.391 1.00 0.00 C ATOM 618 OE1 GLN A 40 154.272 13.195 -4.977 1.00 0.00 O ATOM 619 NE2 GLN A 40 155.684 14.354 -3.670 1.00 0.00 N ATOM 0 H GLN A 40 155.971 9.694 -5.895 1.00 0.00 H new ATOM 0 HA GLN A 40 157.364 11.556 -7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 40 158.340 12.422 -5.275 1.00 0.00 H new ATOM 0 HB3 GLN A 40 157.082 13.243 -6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 40 155.858 11.213 -4.539 1.00 0.00 H new ATOM 0 HG3 GLN A 40 156.954 12.150 -3.544 1.00 0.00 H new ATOM 0 HE21 GLN A 40 156.589 14.390 -3.201 1.00 0.00 H new ATOM 0 HE22 GLN A 40 155.035 15.136 -3.586 1.00 0.00 H new ATOM 628 N PHE A 41 159.285 10.072 -7.446 1.00 0.00 N ATOM 629 CA PHE A 41 160.475 9.231 -7.385 1.00 0.00 C ATOM 630 C PHE A 41 161.337 9.461 -8.620 1.00 0.00 C ATOM 631 O PHE A 41 162.522 9.771 -8.517 1.00 0.00 O ATOM 632 CB PHE A 41 160.099 7.753 -7.276 1.00 0.00 C ATOM 633 CG PHE A 41 161.212 6.898 -6.738 1.00 0.00 C ATOM 634 CD1 PHE A 41 161.656 7.057 -5.434 1.00 0.00 C ATOM 635 CD2 PHE A 41 161.819 5.941 -7.536 1.00 0.00 C ATOM 636 CE1 PHE A 41 162.683 6.276 -4.936 1.00 0.00 C ATOM 637 CE2 PHE A 41 162.848 5.159 -7.044 1.00 0.00 C ATOM 638 CZ PHE A 41 163.280 5.327 -5.742 1.00 0.00 C ATOM 0 H PHE A 41 159.146 10.530 -8.347 1.00 0.00 H new ATOM 0 HA PHE A 41 161.041 9.504 -6.494 1.00 0.00 H new ATOM 0 HB2 PHE A 41 159.227 7.653 -6.629 1.00 0.00 H new ATOM 0 HB3 PHE A 41 159.810 7.385 -8.260 1.00 0.00 H new ATOM 0 HD1 PHE A 41 161.194 7.799 -4.800 1.00 0.00 H new ATOM 0 HD2 PHE A 41 161.485 5.804 -8.554 1.00 0.00 H new ATOM 0 HE1 PHE A 41 163.018 6.408 -3.918 1.00 0.00 H new ATOM 0 HE2 PHE A 41 163.314 4.418 -7.677 1.00 0.00 H new ATOM 0 HZ PHE A 41 164.083 4.717 -5.356 1.00 0.00 H new ATOM 648 N GLU A 42 160.730 9.323 -9.792 1.00 0.00 N ATOM 649 CA GLU A 42 161.440 9.531 -11.047 1.00 0.00 C ATOM 650 C GLU A 42 162.008 10.946 -11.110 1.00 0.00 C ATOM 651 O GLU A 42 163.085 11.174 -11.662 1.00 0.00 O ATOM 652 CB GLU A 42 160.496 9.296 -12.228 1.00 0.00 C ATOM 653 CG GLU A 42 161.110 9.628 -13.578 1.00 0.00 C ATOM 654 CD GLU A 42 160.232 9.204 -14.738 1.00 0.00 C ATOM 655 OE1 GLU A 42 159.031 9.546 -14.730 1.00 0.00 O ATOM 656 OE2 GLU A 42 160.745 8.529 -15.656 1.00 0.00 O ATOM 0 H GLU A 42 159.748 9.068 -9.899 1.00 0.00 H new ATOM 0 HA GLU A 42 162.265 8.820 -11.101 1.00 0.00 H new ATOM 0 HB2 GLU A 42 160.182 8.252 -12.229 1.00 0.00 H new ATOM 0 HB3 GLU A 42 159.598 9.898 -12.089 1.00 0.00 H new ATOM 0 HG2 GLU A 42 161.290 10.701 -13.637 1.00 0.00 H new ATOM 0 HG3 GLU A 42 162.079 9.137 -13.663 1.00 0.00 H new ATOM 663 N GLU A 43 161.269 11.891 -10.538 1.00 0.00 N ATOM 664 CA GLU A 43 161.684 13.289 -10.523 1.00 0.00 C ATOM 665 C GLU A 43 162.497 13.612 -9.271 1.00 0.00 C ATOM 666 O GLU A 43 163.549 14.246 -9.351 1.00 0.00 O ATOM 667 CB GLU A 43 160.460 14.204 -10.599 1.00 0.00 C ATOM 668 CG GLU A 43 160.806 15.684 -10.618 1.00 0.00 C ATOM 669 CD GLU A 43 159.611 16.557 -10.944 1.00 0.00 C ATOM 670 OE1 GLU A 43 158.537 16.344 -10.342 1.00 0.00 O ATOM 671 OE2 GLU A 43 159.748 17.455 -11.801 1.00 0.00 O ATOM 0 H GLU A 43 160.377 11.713 -10.077 1.00 0.00 H new ATOM 0 HA GLU A 43 162.317 13.460 -11.394 1.00 0.00 H new ATOM 0 HB2 GLU A 43 159.891 13.961 -11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 43 159.812 14.002 -9.746 1.00 0.00 H new ATOM 0 HG2 GLU A 43 161.208 15.972 -9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 43 161.592 15.860 -11.353 1.00 0.00 H new ATOM 678 N ARG A 44 162.002 13.179 -8.114 1.00 0.00 N ATOM 679 CA ARG A 44 162.685 13.431 -6.849 1.00 0.00 C ATOM 680 C ARG A 44 163.062 12.124 -6.158 1.00 0.00 C ATOM 681 O ARG A 44 162.720 11.902 -4.996 1.00 0.00 O ATOM 682 CB ARG A 44 161.798 14.272 -5.929 1.00 0.00 C ATOM 683 CG ARG A 44 161.671 15.724 -6.364 1.00 0.00 C ATOM 684 CD ARG A 44 162.028 16.685 -5.239 1.00 0.00 C ATOM 685 NE ARG A 44 160.867 17.443 -4.779 1.00 0.00 N ATOM 686 CZ ARG A 44 160.371 18.500 -5.417 1.00 0.00 C ATOM 687 NH1 ARG A 44 160.932 18.928 -6.541 1.00 0.00 N ATOM 688 NH2 ARG A 44 159.312 19.132 -4.930 1.00 0.00 N ATOM 0 H ARG A 44 161.132 12.653 -8.027 1.00 0.00 H new ATOM 0 HA ARG A 44 163.602 13.980 -7.064 1.00 0.00 H new ATOM 0 HB2 ARG A 44 160.804 13.826 -5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 44 162.203 14.239 -4.918 1.00 0.00 H new ATOM 0 HG2 ARG A 44 162.323 15.906 -7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 44 160.651 15.916 -6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 44 162.450 16.125 -4.404 1.00 0.00 H new ATOM 0 HD3 ARG A 44 162.799 17.375 -5.582 1.00 0.00 H new ATOM 0 HE ARG A 44 160.410 17.144 -3.918 1.00 0.00 H new ATOM 0 HH11 ARG A 44 161.747 18.446 -6.920 1.00 0.00 H new ATOM 0 HH12 ARG A 44 160.548 19.739 -7.026 1.00 0.00 H new ATOM 0 HH21 ARG A 44 158.877 18.808 -4.066 1.00 0.00 H new ATOM 0 HH22 ARG A 44 158.932 19.942 -5.419 1.00 0.00 H new ATOM 702 N GLY A 45 163.768 11.261 -6.880 1.00 0.00 N ATOM 703 CA GLY A 45 164.176 9.987 -6.318 1.00 0.00 C ATOM 704 C GLY A 45 165.681 9.821 -6.276 1.00 0.00 C ATOM 705 O GLY A 45 166.348 9.857 -7.309 1.00 0.00 O ATOM 0 H GLY A 45 164.065 11.420 -7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 45 163.776 9.896 -5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 45 163.742 9.179 -6.907 1.00 0.00 H new ATOM 709 N GLY A 46 166.211 9.631 -5.075 1.00 0.00 N ATOM 710 CA GLY A 46 167.639 9.450 -4.911 1.00 0.00 C ATOM 711 C GLY A 46 167.956 8.492 -3.784 1.00 0.00 C ATOM 712 O GLY A 46 167.338 8.551 -2.721 1.00 0.00 O ATOM 0 H GLY A 46 165.674 9.599 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 46 168.067 9.073 -5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 46 168.107 10.414 -4.712 1.00 0.00 H new ATOM 716 N VAL A 47 168.915 7.604 -4.011 1.00 0.00 N ATOM 717 CA VAL A 47 169.300 6.629 -2.999 1.00 0.00 C ATOM 718 C VAL A 47 170.756 6.813 -2.591 1.00 0.00 C ATOM 719 O VAL A 47 171.652 6.826 -3.435 1.00 0.00 O ATOM 720 CB VAL A 47 169.089 5.180 -3.498 1.00 0.00 C ATOM 721 CG1 VAL A 47 167.692 4.693 -3.139 1.00 0.00 C ATOM 722 CG2 VAL A 47 169.324 5.087 -5.001 1.00 0.00 C ATOM 0 H VAL A 47 169.439 7.539 -4.884 1.00 0.00 H new ATOM 0 HA VAL A 47 168.659 6.798 -2.134 1.00 0.00 H new ATOM 0 HB VAL A 47 169.816 4.536 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 47 167.559 3.672 -3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 47 167.565 4.717 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 47 166.950 5.340 -3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 47 169.170 4.059 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 47 168.625 5.743 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 47 170.345 5.392 -5.229 1.00 0.00 H new ATOM 732 N GLU A 48 170.986 6.961 -1.290 1.00 0.00 N ATOM 733 CA GLU A 48 172.335 7.152 -0.771 1.00 0.00 C ATOM 734 C GLU A 48 172.816 5.910 -0.030 1.00 0.00 C ATOM 735 O GLU A 48 172.096 5.351 0.796 1.00 0.00 O ATOM 736 CB GLU A 48 172.378 8.363 0.162 1.00 0.00 C ATOM 737 CG GLU A 48 173.786 8.792 0.538 1.00 0.00 C ATOM 738 CD GLU A 48 174.587 9.269 -0.658 1.00 0.00 C ATOM 739 OE1 GLU A 48 175.059 8.413 -1.436 1.00 0.00 O ATOM 740 OE2 GLU A 48 174.741 10.498 -0.817 1.00 0.00 O ATOM 0 H GLU A 48 170.257 6.952 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 48 173.000 7.328 -1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 48 171.869 9.199 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 48 171.823 8.131 1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 48 173.734 9.591 1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 48 174.304 7.956 1.008 1.00 0.00 H new ATOM 747 N PHE A 49 174.040 5.485 -0.329 1.00 0.00 N ATOM 748 CA PHE A 49 174.616 4.311 0.313 1.00 0.00 C ATOM 749 C PHE A 49 175.313 4.692 1.615 1.00 0.00 C ATOM 750 O PHE A 49 175.991 5.716 1.692 1.00 0.00 O ATOM 751 CB PHE A 49 175.609 3.624 -0.626 1.00 0.00 C ATOM 752 CG PHE A 49 176.231 2.391 -0.038 1.00 0.00 C ATOM 753 CD1 PHE A 49 175.445 1.312 0.330 1.00 0.00 C ATOM 754 CD2 PHE A 49 177.602 2.313 0.150 1.00 0.00 C ATOM 755 CE1 PHE A 49 176.013 0.177 0.876 1.00 0.00 C ATOM 756 CE2 PHE A 49 178.176 1.181 0.694 1.00 0.00 C ATOM 757 CZ PHE A 49 177.381 0.112 1.058 1.00 0.00 C ATOM 0 H PHE A 49 174.650 5.936 -1.011 1.00 0.00 H new ATOM 0 HA PHE A 49 173.805 3.619 0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 49 175.098 3.358 -1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.397 4.330 -0.888 1.00 0.00 H new ATOM 0 HD1 PHE A 49 174.375 1.358 0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 49 178.228 3.147 -0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 49 175.389 -0.658 1.160 1.00 0.00 H new ATOM 0 HE2 PHE A 49 179.246 1.132 0.835 1.00 0.00 H new ATOM 0 HZ PHE A 49 177.828 -0.774 1.484 1.00 0.00 H new ATOM 767 N VAL A 50 175.145 3.857 2.633 1.00 0.00 N ATOM 768 CA VAL A 50 175.760 4.100 3.933 1.00 0.00 C ATOM 769 C VAL A 50 176.435 2.836 4.459 1.00 0.00 C ATOM 770 O VAL A 50 176.341 1.767 3.849 1.00 0.00 O ATOM 771 CB VAL A 50 174.734 4.603 4.974 1.00 0.00 C ATOM 772 CG1 VAL A 50 174.710 6.123 5.015 1.00 0.00 C ATOM 773 CG2 VAL A 50 173.342 4.057 4.684 1.00 0.00 C ATOM 0 H VAL A 50 174.587 3.004 2.584 1.00 0.00 H new ATOM 0 HA VAL A 50 176.508 4.879 3.786 1.00 0.00 H new ATOM 0 HB VAL A 50 175.045 4.234 5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 50 173.981 6.456 5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 50 175.698 6.495 5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 50 174.434 6.509 4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 50 172.642 4.428 5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 50 173.022 4.384 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 50 173.364 2.968 4.717 1.00 0.00 H new ATOM 783 N GLU A 51 177.104 2.957 5.601 1.00 0.00 N ATOM 784 CA GLU A 51 177.784 1.821 6.210 1.00 0.00 C ATOM 785 C GLU A 51 177.084 1.414 7.500 1.00 0.00 C ATOM 786 O GLU A 51 176.513 2.255 8.195 1.00 0.00 O ATOM 787 CB GLU A 51 179.248 2.165 6.492 1.00 0.00 C ATOM 788 CG GLU A 51 180.162 0.951 6.531 1.00 0.00 C ATOM 789 CD GLU A 51 181.619 1.324 6.717 1.00 0.00 C ATOM 790 OE1 GLU A 51 181.932 2.022 7.705 1.00 0.00 O ATOM 791 OE2 GLU A 51 182.448 0.920 5.875 1.00 0.00 O ATOM 0 H GLU A 51 177.189 3.829 6.122 1.00 0.00 H new ATOM 0 HA GLU A 51 177.749 0.984 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 51 179.605 2.853 5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 51 179.312 2.688 7.446 1.00 0.00 H new ATOM 0 HG2 GLU A 51 179.852 0.294 7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 51 180.051 0.387 5.605 1.00 0.00 H new ATOM 798 N THR A 52 177.124 0.120 7.811 1.00 0.00 N ATOM 799 CA THR A 52 176.482 -0.404 9.016 1.00 0.00 C ATOM 800 C THR A 52 176.707 0.512 10.215 1.00 0.00 C ATOM 801 O THR A 52 177.614 1.344 10.219 1.00 0.00 O ATOM 802 CB THR A 52 177.001 -1.806 9.330 1.00 0.00 C ATOM 803 OG1 THR A 52 176.832 -2.665 8.216 1.00 0.00 O ATOM 804 CG2 THR A 52 176.310 -2.450 10.515 1.00 0.00 C ATOM 0 H THR A 52 177.595 -0.586 7.245 1.00 0.00 H new ATOM 0 HA THR A 52 175.410 -0.451 8.822 1.00 0.00 H new ATOM 0 HB THR A 52 178.056 -1.675 9.572 1.00 0.00 H new ATOM 0 HG1 THR A 52 177.496 -2.445 7.530 1.00 0.00 H new ATOM 0 HG21 THR A 52 176.726 -3.443 10.683 1.00 0.00 H new ATOM 0 HG22 THR A 52 176.464 -1.837 11.403 1.00 0.00 H new ATOM 0 HG23 THR A 52 175.242 -2.534 10.312 1.00 0.00 H new ATOM 812 N ALA A 53 175.865 0.353 11.227 1.00 0.00 N ATOM 813 CA ALA A 53 175.948 1.159 12.437 1.00 0.00 C ATOM 814 C ALA A 53 176.654 0.405 13.554 1.00 0.00 C ATOM 815 O ALA A 53 177.334 -0.593 13.315 1.00 0.00 O ATOM 816 CB ALA A 53 174.550 1.538 12.893 1.00 0.00 C ATOM 0 H ALA A 53 175.110 -0.333 11.233 1.00 0.00 H new ATOM 0 HA ALA A 53 176.524 2.056 12.209 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.614 2.141 13.799 1.00 0.00 H new ATOM 0 HB2 ALA A 53 174.055 2.111 12.109 1.00 0.00 H new ATOM 0 HB3 ALA A 53 173.977 0.634 13.099 1.00 0.00 H new ATOM 822 N ASP A 54 176.451 0.871 14.782 1.00 0.00 N ATOM 823 CA ASP A 54 177.027 0.228 15.949 1.00 0.00 C ATOM 824 C ASP A 54 176.029 -0.775 16.511 1.00 0.00 C ATOM 825 O ASP A 54 175.879 -0.911 17.725 1.00 0.00 O ATOM 826 CB ASP A 54 177.394 1.266 17.013 1.00 0.00 C ATOM 827 CG ASP A 54 178.813 1.776 16.858 1.00 0.00 C ATOM 828 OD1 ASP A 54 179.038 2.654 15.998 1.00 0.00 O ATOM 829 OD2 ASP A 54 179.700 1.297 17.595 1.00 0.00 O ATOM 0 H ASP A 54 175.889 1.696 14.991 1.00 0.00 H new ATOM 0 HA ASP A 54 177.940 -0.291 15.657 1.00 0.00 H new ATOM 0 HB2 ASP A 54 176.701 2.105 16.953 1.00 0.00 H new ATOM 0 HB3 ASP A 54 177.275 0.825 18.003 1.00 0.00 H new ATOM 834 N ASP A 55 175.353 -1.481 15.604 1.00 0.00 N ATOM 835 CA ASP A 55 174.364 -2.489 15.977 1.00 0.00 C ATOM 836 C ASP A 55 173.061 -1.840 16.421 1.00 0.00 C ATOM 837 O ASP A 55 173.028 -1.107 17.409 1.00 0.00 O ATOM 838 CB ASP A 55 174.903 -3.395 17.088 1.00 0.00 C ATOM 839 CG ASP A 55 176.339 -3.818 16.848 1.00 0.00 C ATOM 840 OD1 ASP A 55 176.802 -3.718 15.692 1.00 0.00 O ATOM 841 OD2 ASP A 55 177.002 -4.248 17.816 1.00 0.00 O ATOM 0 H ASP A 55 175.475 -1.371 14.597 1.00 0.00 H new ATOM 0 HA ASP A 55 174.164 -3.097 15.095 1.00 0.00 H new ATOM 0 HB2 ASP A 55 174.836 -2.873 18.042 1.00 0.00 H new ATOM 0 HB3 ASP A 55 174.275 -4.282 17.166 1.00 0.00 H new ATOM 846 N TRP A 56 171.985 -2.115 15.687 1.00 0.00 N ATOM 847 CA TRP A 56 170.683 -1.552 16.020 1.00 0.00 C ATOM 848 C TRP A 56 169.620 -2.636 16.166 1.00 0.00 C ATOM 849 O TRP A 56 168.511 -2.502 15.652 1.00 0.00 O ATOM 850 CB TRP A 56 170.237 -0.515 14.983 1.00 0.00 C ATOM 851 CG TRP A 56 170.825 -0.675 13.614 1.00 0.00 C ATOM 852 CD1 TRP A 56 172.148 -0.680 13.273 1.00 0.00 C ATOM 853 CD2 TRP A 56 170.095 -0.816 12.393 1.00 0.00 C ATOM 854 NE1 TRP A 56 172.282 -0.813 11.912 1.00 0.00 N ATOM 855 CE2 TRP A 56 171.035 -0.900 11.350 1.00 0.00 C ATOM 856 CE3 TRP A 56 168.735 -0.882 12.083 1.00 0.00 C ATOM 857 CZ2 TRP A 56 170.656 -1.041 10.018 1.00 0.00 C ATOM 858 CZ3 TRP A 56 168.359 -1.026 10.763 1.00 0.00 C ATOM 859 CH2 TRP A 56 169.314 -1.103 9.743 1.00 0.00 C ATOM 0 H TRP A 56 171.990 -2.719 14.865 1.00 0.00 H new ATOM 0 HA TRP A 56 170.795 -1.052 16.982 1.00 0.00 H new ATOM 0 HB2 TRP A 56 169.151 -0.555 14.899 1.00 0.00 H new ATOM 0 HB3 TRP A 56 170.492 0.477 15.355 1.00 0.00 H new ATOM 0 HD1 TRP A 56 172.968 -0.592 13.971 1.00 0.00 H new ATOM 0 HE1 TRP A 56 173.165 -0.842 11.403 1.00 0.00 H new ATOM 0 HE3 TRP A 56 167.990 -0.821 12.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 171.392 -1.099 9.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 167.310 -1.080 10.513 1.00 0.00 H new ATOM 0 HH2 TRP A 56 168.988 -1.213 8.719 1.00 0.00 H new ATOM 870 N GLU A 57 169.973 -3.708 16.868 1.00 0.00 N ATOM 871 CA GLU A 57 169.052 -4.821 17.090 1.00 0.00 C ATOM 872 C GLU A 57 167.784 -4.346 17.803 1.00 0.00 C ATOM 873 O GLU A 57 167.561 -4.660 18.972 1.00 0.00 O ATOM 874 CB GLU A 57 169.734 -5.917 17.912 1.00 0.00 C ATOM 875 CG GLU A 57 171.021 -6.434 17.289 1.00 0.00 C ATOM 876 CD GLU A 57 171.898 -7.165 18.287 1.00 0.00 C ATOM 877 OE1 GLU A 57 171.348 -7.900 19.134 1.00 0.00 O ATOM 878 OE2 GLU A 57 173.134 -7.003 18.222 1.00 0.00 O ATOM 0 H GLU A 57 170.891 -3.831 17.294 1.00 0.00 H new ATOM 0 HA GLU A 57 168.770 -5.227 16.119 1.00 0.00 H new ATOM 0 HB2 GLU A 57 169.952 -5.530 18.908 1.00 0.00 H new ATOM 0 HB3 GLU A 57 169.041 -6.749 18.038 1.00 0.00 H new ATOM 0 HG2 GLU A 57 170.778 -7.105 16.465 1.00 0.00 H new ATOM 0 HG3 GLU A 57 171.577 -5.598 16.866 1.00 0.00 H new ATOM 885 N GLU A 58 166.960 -3.584 17.088 1.00 0.00 N ATOM 886 CA GLU A 58 165.718 -3.055 17.640 1.00 0.00 C ATOM 887 C GLU A 58 164.713 -2.762 16.527 1.00 0.00 C ATOM 888 O GLU A 58 163.541 -3.125 16.623 1.00 0.00 O ATOM 889 CB GLU A 58 166.002 -1.783 18.439 1.00 0.00 C ATOM 890 CG GLU A 58 165.665 -1.903 19.916 1.00 0.00 C ATOM 891 CD GLU A 58 166.696 -2.703 20.687 1.00 0.00 C ATOM 892 OE1 GLU A 58 167.793 -2.164 20.947 1.00 0.00 O ATOM 893 OE2 GLU A 58 166.407 -3.868 21.032 1.00 0.00 O ATOM 0 H GLU A 58 167.133 -3.318 16.119 1.00 0.00 H new ATOM 0 HA GLU A 58 165.287 -3.805 18.303 1.00 0.00 H new ATOM 0 HB2 GLU A 58 167.056 -1.527 18.335 1.00 0.00 H new ATOM 0 HB3 GLU A 58 165.430 -0.960 18.010 1.00 0.00 H new ATOM 0 HG2 GLU A 58 165.587 -0.906 20.349 1.00 0.00 H new ATOM 0 HG3 GLU A 58 164.689 -2.375 20.025 1.00 0.00 H new ATOM 900 N GLU A 59 165.186 -2.113 15.466 1.00 0.00 N ATOM 901 CA GLU A 59 164.336 -1.782 14.326 1.00 0.00 C ATOM 902 C GLU A 59 164.040 -3.031 13.509 1.00 0.00 C ATOM 903 O GLU A 59 162.908 -3.510 13.457 1.00 0.00 O ATOM 904 CB GLU A 59 165.023 -0.752 13.427 1.00 0.00 C ATOM 905 CG GLU A 59 164.965 0.672 13.950 1.00 0.00 C ATOM 906 CD GLU A 59 163.565 1.094 14.349 1.00 0.00 C ATOM 907 OE1 GLU A 59 163.136 0.744 15.469 1.00 0.00 O ATOM 908 OE2 GLU A 59 162.898 1.777 13.543 1.00 0.00 O ATOM 0 H GLU A 59 166.154 -1.806 15.372 1.00 0.00 H new ATOM 0 HA GLU A 59 163.404 -1.365 14.709 1.00 0.00 H new ATOM 0 HB2 GLU A 59 166.067 -1.037 13.300 1.00 0.00 H new ATOM 0 HB3 GLU A 59 164.561 -0.783 12.440 1.00 0.00 H new ATOM 0 HG2 GLU A 59 165.627 0.765 14.811 1.00 0.00 H new ATOM 0 HG3 GLU A 59 165.340 1.351 13.184 1.00 0.00 H new ATOM 915 N ILE A 60 165.083 -3.546 12.873 1.00 0.00 N ATOM 916 CA ILE A 60 164.984 -4.743 12.044 1.00 0.00 C ATOM 917 C ILE A 60 164.739 -5.989 12.892 1.00 0.00 C ATOM 918 O ILE A 60 163.826 -6.767 12.619 1.00 0.00 O ATOM 919 CB ILE A 60 166.266 -4.954 11.203 1.00 0.00 C ATOM 920 CG1 ILE A 60 167.483 -4.350 11.915 1.00 0.00 C ATOM 921 CG2 ILE A 60 166.099 -4.337 9.823 1.00 0.00 C ATOM 922 CD1 ILE A 60 168.778 -5.078 11.650 1.00 0.00 C ATOM 0 H ILE A 60 166.021 -3.148 12.916 1.00 0.00 H new ATOM 0 HA ILE A 60 164.136 -4.591 11.376 1.00 0.00 H new ATOM 0 HB ILE A 60 166.432 -6.025 11.088 1.00 0.00 H new ATOM 0 HG12 ILE A 60 167.593 -3.311 11.604 1.00 0.00 H new ATOM 0 HG13 ILE A 60 167.296 -4.344 12.989 1.00 0.00 H new ATOM 0 HG21 ILE A 60 167.008 -4.493 9.242 1.00 0.00 H new ATOM 0 HG22 ILE A 60 165.258 -4.807 9.314 1.00 0.00 H new ATOM 0 HG23 ILE A 60 165.911 -3.268 9.923 1.00 0.00 H new ATOM 0 HD11 ILE A 60 169.588 -4.588 12.190 1.00 0.00 H new ATOM 0 HD12 ILE A 60 168.690 -6.111 11.987 1.00 0.00 H new ATOM 0 HD13 ILE A 60 168.992 -5.062 10.581 1.00 0.00 H new ATOM 934 N GLY A 61 165.565 -6.175 13.917 1.00 0.00 N ATOM 935 CA GLY A 61 165.426 -7.330 14.782 1.00 0.00 C ATOM 936 C GLY A 61 166.350 -8.464 14.381 1.00 0.00 C ATOM 937 O GLY A 61 165.902 -9.478 13.847 1.00 0.00 O ATOM 0 H GLY A 61 166.329 -5.545 14.163 1.00 0.00 H new ATOM 0 HA2 GLY A 61 165.638 -7.038 15.811 1.00 0.00 H new ATOM 0 HA3 GLY A 61 164.394 -7.679 14.756 1.00 0.00 H new ATOM 941 N VAL A 62 167.643 -8.290 14.648 1.00 0.00 N ATOM 942 CA VAL A 62 168.647 -9.300 14.323 1.00 0.00 C ATOM 943 C VAL A 62 170.050 -8.759 14.569 1.00 0.00 C ATOM 944 O VAL A 62 170.323 -7.585 14.319 1.00 0.00 O ATOM 945 CB VAL A 62 168.543 -9.769 12.856 1.00 0.00 C ATOM 946 CG1 VAL A 62 168.771 -8.611 11.898 1.00 0.00 C ATOM 947 CG2 VAL A 62 169.529 -10.896 12.583 1.00 0.00 C ATOM 0 H VAL A 62 168.021 -7.453 15.092 1.00 0.00 H new ATOM 0 HA VAL A 62 168.456 -10.153 14.974 1.00 0.00 H new ATOM 0 HB VAL A 62 167.534 -10.148 12.692 1.00 0.00 H new ATOM 0 HG11 VAL A 62 168.693 -8.968 10.871 1.00 0.00 H new ATOM 0 HG12 VAL A 62 168.020 -7.841 12.073 1.00 0.00 H new ATOM 0 HG13 VAL A 62 169.764 -8.193 12.062 1.00 0.00 H new ATOM 0 HG21 VAL A 62 169.441 -11.213 11.544 1.00 0.00 H new ATOM 0 HG22 VAL A 62 170.544 -10.545 12.770 1.00 0.00 H new ATOM 0 HG23 VAL A 62 169.310 -11.738 13.239 1.00 0.00 H new ATOM 957 N LEU A 63 170.938 -9.615 15.063 1.00 0.00 N ATOM 958 CA LEU A 63 172.313 -9.214 15.344 1.00 0.00 C ATOM 959 C LEU A 63 172.938 -8.499 14.150 1.00 0.00 C ATOM 960 O LEU A 63 172.995 -9.042 13.047 1.00 0.00 O ATOM 961 CB LEU A 63 173.154 -10.437 15.717 1.00 0.00 C ATOM 962 CG LEU A 63 172.870 -11.018 17.105 1.00 0.00 C ATOM 963 CD1 LEU A 63 172.784 -12.535 17.043 1.00 0.00 C ATOM 964 CD2 LEU A 63 173.941 -10.584 18.095 1.00 0.00 C ATOM 0 H LEU A 63 170.731 -10.591 15.277 1.00 0.00 H new ATOM 0 HA LEU A 63 172.293 -8.519 16.184 1.00 0.00 H new ATOM 0 HB2 LEU A 63 172.986 -11.215 14.973 1.00 0.00 H new ATOM 0 HB3 LEU A 63 174.208 -10.165 15.662 1.00 0.00 H new ATOM 0 HG LEU A 63 171.909 -10.634 17.447 1.00 0.00 H new ATOM 0 HD11 LEU A 63 172.582 -12.929 18.039 1.00 0.00 H new ATOM 0 HD12 LEU A 63 171.980 -12.827 16.367 1.00 0.00 H new ATOM 0 HD13 LEU A 63 173.729 -12.938 16.678 1.00 0.00 H new ATOM 0 HD21 LEU A 63 173.722 -11.006 19.076 1.00 0.00 H new ATOM 0 HD22 LEU A 63 174.915 -10.938 17.756 1.00 0.00 H new ATOM 0 HD23 LEU A 63 173.954 -9.496 18.163 1.00 0.00 H new ATOM 976 N ILE A 64 173.406 -7.278 14.382 1.00 0.00 N ATOM 977 CA ILE A 64 174.029 -6.482 13.333 1.00 0.00 C ATOM 978 C ILE A 64 175.548 -6.474 13.487 1.00 0.00 C ATOM 979 O ILE A 64 176.071 -6.241 14.577 1.00 0.00 O ATOM 980 CB ILE A 64 173.500 -5.030 13.349 1.00 0.00 C ATOM 981 CG1 ILE A 64 172.019 -4.997 12.968 1.00 0.00 C ATOM 982 CG2 ILE A 64 174.308 -4.144 12.408 1.00 0.00 C ATOM 983 CD1 ILE A 64 171.760 -5.364 11.523 1.00 0.00 C ATOM 0 H ILE A 64 173.365 -6.817 15.291 1.00 0.00 H new ATOM 0 HA ILE A 64 173.771 -6.940 12.378 1.00 0.00 H new ATOM 0 HB ILE A 64 173.611 -4.641 14.361 1.00 0.00 H new ATOM 0 HG12 ILE A 64 171.471 -5.683 13.613 1.00 0.00 H new ATOM 0 HG13 ILE A 64 171.625 -3.998 13.157 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.915 -3.128 12.438 1.00 0.00 H new ATOM 0 HG22 ILE A 64 175.352 -4.139 12.720 1.00 0.00 H new ATOM 0 HG23 ILE A 64 174.235 -4.531 11.392 1.00 0.00 H new ATOM 0 HD11 ILE A 64 170.689 -5.320 11.323 1.00 0.00 H new ATOM 0 HD12 ILE A 64 172.280 -4.663 10.871 1.00 0.00 H new ATOM 0 HD13 ILE A 64 172.123 -6.374 11.333 1.00 0.00 H new ATOM 995 N ASP A 65 176.248 -6.725 12.386 1.00 0.00 N ATOM 996 CA ASP A 65 177.706 -6.743 12.392 1.00 0.00 C ATOM 997 C ASP A 65 178.259 -5.638 11.492 1.00 0.00 C ATOM 998 O ASP A 65 178.105 -5.689 10.272 1.00 0.00 O ATOM 999 CB ASP A 65 178.220 -8.109 11.932 1.00 0.00 C ATOM 1000 CG ASP A 65 179.227 -8.701 12.899 1.00 0.00 C ATOM 1001 OD1 ASP A 65 179.939 -7.921 13.566 1.00 0.00 O ATOM 1002 OD2 ASP A 65 179.303 -9.944 12.990 1.00 0.00 O ATOM 0 H ASP A 65 175.828 -6.919 11.477 1.00 0.00 H new ATOM 0 HA ASP A 65 178.051 -6.564 13.410 1.00 0.00 H new ATOM 0 HB2 ASP A 65 177.379 -8.793 11.823 1.00 0.00 H new ATOM 0 HB3 ASP A 65 178.679 -8.009 10.949 1.00 0.00 H new ATOM 1007 N PRO A 66 178.903 -4.613 12.081 1.00 0.00 N ATOM 1008 CA PRO A 66 179.462 -3.493 11.317 1.00 0.00 C ATOM 1009 C PRO A 66 180.566 -3.922 10.357 1.00 0.00 C ATOM 1010 O PRO A 66 181.250 -4.920 10.580 1.00 0.00 O ATOM 1011 CB PRO A 66 180.020 -2.555 12.391 1.00 0.00 C ATOM 1012 CG PRO A 66 180.202 -3.411 13.597 1.00 0.00 C ATOM 1013 CD PRO A 66 179.126 -4.457 13.528 1.00 0.00 C ATOM 0 HA PRO A 66 178.706 -3.030 10.683 1.00 0.00 H new ATOM 0 HB2 PRO A 66 180.965 -2.112 12.076 1.00 0.00 H new ATOM 0 HB3 PRO A 66 179.334 -1.732 12.591 1.00 0.00 H new ATOM 0 HG2 PRO A 66 181.191 -3.869 13.605 1.00 0.00 H new ATOM 0 HG3 PRO A 66 180.116 -2.822 14.510 1.00 0.00 H new ATOM 0 HD2 PRO A 66 179.443 -5.392 13.990 1.00 0.00 H new ATOM 0 HD3 PRO A 66 178.220 -4.138 14.043 1.00 0.00 H new ATOM 1021 N GLU A 67 180.729 -3.155 9.284 1.00 0.00 N ATOM 1022 CA GLU A 67 181.748 -3.436 8.275 1.00 0.00 C ATOM 1023 C GLU A 67 181.542 -4.801 7.616 1.00 0.00 C ATOM 1024 O GLU A 67 182.399 -5.266 6.865 1.00 0.00 O ATOM 1025 CB GLU A 67 183.142 -3.366 8.901 1.00 0.00 C ATOM 1026 CG GLU A 67 183.683 -1.951 9.024 1.00 0.00 C ATOM 1027 CD GLU A 67 184.995 -1.892 9.782 1.00 0.00 C ATOM 1028 OE1 GLU A 67 186.055 -2.082 9.149 1.00 0.00 O ATOM 1029 OE2 GLU A 67 184.962 -1.655 11.008 1.00 0.00 O ATOM 0 H GLU A 67 180.165 -2.328 9.089 1.00 0.00 H new ATOM 0 HA GLU A 67 181.656 -2.677 7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 67 183.110 -3.821 9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 67 183.831 -3.959 8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 67 183.824 -1.532 8.028 1.00 0.00 H new ATOM 0 HG3 GLU A 67 182.947 -1.327 9.531 1.00 0.00 H new ATOM 1036 N GLU A 68 180.410 -5.440 7.895 1.00 0.00 N ATOM 1037 CA GLU A 68 180.112 -6.747 7.321 1.00 0.00 C ATOM 1038 C GLU A 68 178.834 -6.714 6.487 1.00 0.00 C ATOM 1039 O GLU A 68 178.561 -7.640 5.723 1.00 0.00 O ATOM 1040 CB GLU A 68 179.993 -7.786 8.432 1.00 0.00 C ATOM 1041 CG GLU A 68 181.306 -8.029 9.151 1.00 0.00 C ATOM 1042 CD GLU A 68 181.118 -8.390 10.611 1.00 0.00 C ATOM 1043 OE1 GLU A 68 180.872 -9.580 10.901 1.00 0.00 O ATOM 1044 OE2 GLU A 68 181.217 -7.483 11.464 1.00 0.00 O ATOM 0 H GLU A 68 179.686 -5.075 8.514 1.00 0.00 H new ATOM 0 HA GLU A 68 180.932 -7.020 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 68 179.245 -7.457 9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 68 179.636 -8.725 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 68 181.846 -8.832 8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 68 181.925 -7.135 9.079 1.00 0.00 H new ATOM 1051 N TYR A 69 178.054 -5.645 6.628 1.00 0.00 N ATOM 1052 CA TYR A 69 176.813 -5.508 5.875 1.00 0.00 C ATOM 1053 C TYR A 69 176.739 -4.152 5.186 1.00 0.00 C ATOM 1054 O TYR A 69 177.051 -3.122 5.782 1.00 0.00 O ATOM 1055 CB TYR A 69 175.597 -5.686 6.789 1.00 0.00 C ATOM 1056 CG TYR A 69 175.510 -7.049 7.441 1.00 0.00 C ATOM 1057 CD1 TYR A 69 175.076 -8.161 6.727 1.00 0.00 C ATOM 1058 CD2 TYR A 69 175.859 -7.221 8.774 1.00 0.00 C ATOM 1059 CE1 TYR A 69 174.996 -9.403 7.323 1.00 0.00 C ATOM 1060 CE2 TYR A 69 175.781 -8.461 9.377 1.00 0.00 C ATOM 1061 CZ TYR A 69 175.350 -9.549 8.648 1.00 0.00 C ATOM 1062 OH TYR A 69 175.270 -10.786 9.246 1.00 0.00 O ATOM 0 H TYR A 69 178.259 -4.866 7.253 1.00 0.00 H new ATOM 0 HA TYR A 69 176.803 -6.290 5.116 1.00 0.00 H new ATOM 0 HB2 TYR A 69 175.626 -4.924 7.567 1.00 0.00 H new ATOM 0 HB3 TYR A 69 174.691 -5.514 6.208 1.00 0.00 H new ATOM 0 HD1 TYR A 69 174.797 -8.051 5.689 1.00 0.00 H new ATOM 0 HD2 TYR A 69 176.197 -6.371 9.349 1.00 0.00 H new ATOM 0 HE1 TYR A 69 174.658 -10.257 6.755 1.00 0.00 H new ATOM 0 HE2 TYR A 69 176.056 -8.578 10.415 1.00 0.00 H new ATOM 0 HH TYR A 69 175.556 -10.717 10.181 1.00 0.00 H new ATOM 1072 N ALA A 70 176.307 -4.160 3.930 1.00 0.00 N ATOM 1073 CA ALA A 70 176.170 -2.932 3.162 1.00 0.00 C ATOM 1074 C ALA A 70 174.781 -2.350 3.366 1.00 0.00 C ATOM 1075 O ALA A 70 173.781 -2.987 3.035 1.00 0.00 O ATOM 1076 CB ALA A 70 176.422 -3.200 1.685 1.00 0.00 C ATOM 0 H ALA A 70 176.046 -5.006 3.423 1.00 0.00 H new ATOM 0 HA ALA A 70 176.910 -2.211 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 70 176.316 -2.272 1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 70 177.431 -3.591 1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 70 175.700 -3.930 1.319 1.00 0.00 H new ATOM 1082 N GLU A 71 174.714 -1.148 3.926 1.00 0.00 N ATOM 1083 CA GLU A 71 173.428 -0.518 4.177 1.00 0.00 C ATOM 1084 C GLU A 71 173.175 0.627 3.210 1.00 0.00 C ATOM 1085 O GLU A 71 174.072 1.415 2.909 1.00 0.00 O ATOM 1086 CB GLU A 71 173.340 -0.027 5.623 1.00 0.00 C ATOM 1087 CG GLU A 71 174.319 1.081 5.958 1.00 0.00 C ATOM 1088 CD GLU A 71 174.018 1.728 7.296 1.00 0.00 C ATOM 1089 OE1 GLU A 71 173.830 0.988 8.284 1.00 0.00 O ATOM 1090 OE2 GLU A 71 173.969 2.974 7.357 1.00 0.00 O ATOM 0 H GLU A 71 175.524 -0.598 4.211 1.00 0.00 H new ATOM 0 HA GLU A 71 172.654 -1.269 4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 71 172.327 0.327 5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 71 173.516 -0.868 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 71 175.331 0.677 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 71 174.289 1.839 5.175 1.00 0.00 H new ATOM 1097 N VAL A 72 171.943 0.705 2.722 1.00 0.00 N ATOM 1098 CA VAL A 72 171.558 1.745 1.784 1.00 0.00 C ATOM 1099 C VAL A 72 170.218 2.361 2.169 1.00 0.00 C ATOM 1100 O VAL A 72 169.313 1.667 2.632 1.00 0.00 O ATOM 1101 CB VAL A 72 171.479 1.197 0.344 1.00 0.00 C ATOM 1102 CG1 VAL A 72 170.335 0.202 0.196 1.00 0.00 C ATOM 1103 CG2 VAL A 72 171.340 2.337 -0.654 1.00 0.00 C ATOM 0 H VAL A 72 171.193 0.057 2.963 1.00 0.00 H new ATOM 0 HA VAL A 72 172.327 2.516 1.824 1.00 0.00 H new ATOM 0 HB VAL A 72 172.408 0.667 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 72 170.304 -0.167 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 72 170.489 -0.634 0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 72 169.392 0.694 0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 72 171.286 1.932 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 72 170.431 2.900 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 72 172.203 2.998 -0.574 1.00 0.00 H new ATOM 1113 N TRP A 73 170.099 3.666 1.978 1.00 0.00 N ATOM 1114 CA TRP A 73 168.868 4.369 2.307 1.00 0.00 C ATOM 1115 C TRP A 73 168.107 4.742 1.042 1.00 0.00 C ATOM 1116 O TRP A 73 168.707 5.069 0.016 1.00 0.00 O ATOM 1117 CB TRP A 73 169.174 5.619 3.131 1.00 0.00 C ATOM 1118 CG TRP A 73 169.185 5.361 4.606 1.00 0.00 C ATOM 1119 CD1 TRP A 73 169.278 4.146 5.224 1.00 0.00 C ATOM 1120 CD2 TRP A 73 169.098 6.336 5.651 1.00 0.00 C ATOM 1121 NE1 TRP A 73 169.254 4.306 6.587 1.00 0.00 N ATOM 1122 CE2 TRP A 73 169.144 5.641 6.874 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.986 7.729 5.672 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 169.082 6.290 8.102 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 168.925 8.374 6.893 1.00 0.00 C ATOM 1126 CH2 TRP A 73 168.973 7.654 8.094 1.00 0.00 C ATOM 0 H TRP A 73 170.837 4.258 1.598 1.00 0.00 H new ATOM 0 HA TRP A 73 168.241 3.704 2.901 1.00 0.00 H new ATOM 0 HB2 TRP A 73 170.143 6.017 2.830 1.00 0.00 H new ATOM 0 HB3 TRP A 73 168.432 6.385 2.908 1.00 0.00 H new ATOM 0 HD1 TRP A 73 169.359 3.197 4.714 1.00 0.00 H new ATOM 0 HE1 TRP A 73 169.309 3.554 7.274 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.948 8.291 4.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 169.119 5.737 9.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 168.839 9.450 6.922 1.00 0.00 H new ATOM 0 HH2 TRP A 73 168.923 8.186 9.032 1.00 0.00 H new ATOM 1137 N VAL A 74 166.782 4.699 1.125 1.00 0.00 N ATOM 1138 CA VAL A 74 165.933 5.038 -0.007 1.00 0.00 C ATOM 1139 C VAL A 74 164.885 6.062 0.401 1.00 0.00 C ATOM 1140 O VAL A 74 163.891 5.723 1.041 1.00 0.00 O ATOM 1141 CB VAL A 74 165.224 3.794 -0.575 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.393 4.164 -1.795 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.236 2.710 -0.912 1.00 0.00 C ATOM 0 H VAL A 74 166.273 4.432 1.968 1.00 0.00 H new ATOM 0 HA VAL A 74 166.578 5.457 -0.779 1.00 0.00 H new ATOM 0 HB VAL A 74 164.550 3.401 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 74 163.899 3.273 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.641 4.902 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 74 165.042 4.583 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 74 165.717 1.839 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 74 166.939 3.087 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 74 166.779 2.426 -0.011 1.00 0.00 H new ATOM 1153 N GLY A 75 165.127 7.315 0.043 1.00 0.00 N ATOM 1154 CA GLY A 75 164.204 8.377 0.399 1.00 0.00 C ATOM 1155 C GLY A 75 163.600 9.076 -0.801 1.00 0.00 C ATOM 1156 O GLY A 75 163.239 8.436 -1.788 1.00 0.00 O ATOM 0 H GLY A 75 165.945 7.616 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 75 163.402 7.962 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 75 164.726 9.111 1.013 1.00 0.00 H new ATOM 1160 N LEU A 76 163.499 10.397 -0.709 1.00 0.00 N ATOM 1161 CA LEU A 76 162.939 11.212 -1.787 1.00 0.00 C ATOM 1162 C LEU A 76 163.695 12.536 -1.876 1.00 0.00 C ATOM 1163 O LEU A 76 163.101 13.614 -1.867 1.00 0.00 O ATOM 1164 CB LEU A 76 161.432 11.460 -1.561 1.00 0.00 C ATOM 1165 CG LEU A 76 160.512 11.159 -2.755 1.00 0.00 C ATOM 1166 CD1 LEU A 76 160.954 9.901 -3.489 1.00 0.00 C ATOM 1167 CD2 LEU A 76 159.069 11.019 -2.285 1.00 0.00 C ATOM 0 H LEU A 76 163.799 10.932 0.106 1.00 0.00 H new ATOM 0 HA LEU A 76 163.051 10.675 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.107 10.853 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.295 12.503 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 76 160.579 11.994 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 76 160.284 9.715 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 76 161.971 10.034 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 76 160.925 9.052 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 76 158.427 10.806 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 76 158.998 10.203 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 76 158.748 11.948 -1.813 1.00 0.00 H new ATOM 1179 N VAL A 77 165.019 12.430 -1.945 1.00 0.00 N ATOM 1180 CA VAL A 77 165.898 13.596 -2.016 1.00 0.00 C ATOM 1181 C VAL A 77 165.421 14.618 -3.044 1.00 0.00 C ATOM 1182 O VAL A 77 164.461 14.382 -3.777 1.00 0.00 O ATOM 1183 CB VAL A 77 167.345 13.186 -2.358 1.00 0.00 C ATOM 1184 CG1 VAL A 77 167.879 12.203 -1.328 1.00 0.00 C ATOM 1185 CG2 VAL A 77 167.420 12.595 -3.759 1.00 0.00 C ATOM 0 H VAL A 77 165.513 11.537 -1.953 1.00 0.00 H new ATOM 0 HA VAL A 77 165.870 14.055 -1.028 1.00 0.00 H new ATOM 0 HB VAL A 77 167.970 14.079 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 77 168.901 11.925 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 77 167.867 12.667 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 77 167.252 11.311 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 77 168.449 12.313 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 77 166.781 11.714 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 77 167.083 13.335 -4.485 1.00 0.00 H new ATOM 1195 N ASN A 78 166.109 15.754 -3.089 1.00 0.00 N ATOM 1196 CA ASN A 78 165.773 16.823 -4.021 1.00 0.00 C ATOM 1197 C ASN A 78 166.569 16.678 -5.318 1.00 0.00 C ATOM 1198 O ASN A 78 167.088 15.604 -5.619 1.00 0.00 O ATOM 1199 CB ASN A 78 166.049 18.186 -3.380 1.00 0.00 C ATOM 1200 CG ASN A 78 165.515 18.281 -1.964 1.00 0.00 C ATOM 1201 OD1 ASN A 78 164.311 18.424 -1.750 1.00 0.00 O ATOM 1202 ND2 ASN A 78 166.411 18.204 -0.987 1.00 0.00 N ATOM 0 H ASN A 78 166.907 15.958 -2.487 1.00 0.00 H new ATOM 0 HA ASN A 78 164.712 16.753 -4.260 1.00 0.00 H new ATOM 0 HB2 ASN A 78 167.123 18.369 -3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 78 165.596 18.969 -3.989 1.00 0.00 H new ATOM 0 HD21 ASN A 78 166.111 18.263 -0.014 1.00 0.00 H new ATOM 0 HD22 ASN A 78 167.399 18.085 -1.210 1.00 0.00 H new ATOM 1209 N GLU A 79 166.656 17.762 -6.083 1.00 0.00 N ATOM 1210 CA GLU A 79 167.383 17.751 -7.347 1.00 0.00 C ATOM 1211 C GLU A 79 168.889 17.596 -7.133 1.00 0.00 C ATOM 1212 O GLU A 79 169.626 17.306 -8.074 1.00 0.00 O ATOM 1213 CB GLU A 79 167.102 19.036 -8.128 1.00 0.00 C ATOM 1214 CG GLU A 79 167.508 20.299 -7.386 1.00 0.00 C ATOM 1215 CD GLU A 79 166.686 21.506 -7.795 1.00 0.00 C ATOM 1216 OE1 GLU A 79 166.528 21.731 -9.013 1.00 0.00 O ATOM 1217 OE2 GLU A 79 166.201 22.226 -6.897 1.00 0.00 O ATOM 0 H GLU A 79 166.232 18.660 -5.849 1.00 0.00 H new ATOM 0 HA GLU A 79 167.034 16.891 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 79 167.633 18.997 -9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 79 166.038 19.086 -8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 79 167.399 20.137 -6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 79 168.563 20.502 -7.572 1.00 0.00 H new ATOM 1224 N GLN A 80 169.346 17.794 -5.898 1.00 0.00 N ATOM 1225 CA GLN A 80 170.764 17.677 -5.589 1.00 0.00 C ATOM 1226 C GLN A 80 171.139 16.234 -5.256 1.00 0.00 C ATOM 1227 O GLN A 80 171.589 15.489 -6.126 1.00 0.00 O ATOM 1228 CB GLN A 80 171.145 18.618 -4.439 1.00 0.00 C ATOM 1229 CG GLN A 80 170.033 18.867 -3.428 1.00 0.00 C ATOM 1230 CD GLN A 80 170.560 19.349 -2.091 1.00 0.00 C ATOM 1231 OE1 GLN A 80 171.422 18.714 -1.485 1.00 0.00 O ATOM 1232 NE2 GLN A 80 170.042 20.479 -1.624 1.00 0.00 N ATOM 0 H GLN A 80 168.756 18.035 -5.101 1.00 0.00 H new ATOM 0 HA GLN A 80 171.327 17.971 -6.475 1.00 0.00 H new ATOM 0 HB2 GLN A 80 172.006 18.202 -3.917 1.00 0.00 H new ATOM 0 HB3 GLN A 80 171.458 19.574 -4.858 1.00 0.00 H new ATOM 0 HG2 GLN A 80 169.340 19.607 -3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 80 169.467 17.947 -3.281 1.00 0.00 H new ATOM 0 HE21 GLN A 80 169.329 20.973 -2.160 1.00 0.00 H new ATOM 0 HE22 GLN A 80 170.357 20.853 -0.729 1.00 0.00 H new ATOM 1241 N ASP A 81 170.958 15.842 -3.998 1.00 0.00 N ATOM 1242 CA ASP A 81 171.287 14.483 -3.571 1.00 0.00 C ATOM 1243 C ASP A 81 171.007 14.278 -2.085 1.00 0.00 C ATOM 1244 O ASP A 81 170.599 13.193 -1.668 1.00 0.00 O ATOM 1245 CB ASP A 81 172.757 14.176 -3.866 1.00 0.00 C ATOM 1246 CG ASP A 81 173.691 15.237 -3.318 1.00 0.00 C ATOM 1247 OD1 ASP A 81 173.948 16.228 -4.033 1.00 0.00 O ATOM 1248 OD2 ASP A 81 174.165 15.077 -2.173 1.00 0.00 O ATOM 0 H ASP A 81 170.588 16.441 -3.260 1.00 0.00 H new ATOM 0 HA ASP A 81 170.652 13.799 -4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 81 173.017 13.209 -3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 81 172.899 14.093 -4.944 1.00 0.00 H new ATOM 1253 N GLU A 82 171.234 15.319 -1.286 1.00 0.00 N ATOM 1254 CA GLU A 82 171.009 15.246 0.158 1.00 0.00 C ATOM 1255 C GLU A 82 169.670 14.586 0.473 1.00 0.00 C ATOM 1256 O GLU A 82 168.662 14.866 -0.176 1.00 0.00 O ATOM 1257 CB GLU A 82 171.058 16.645 0.774 1.00 0.00 C ATOM 1258 CG GLU A 82 172.466 17.118 1.098 1.00 0.00 C ATOM 1259 CD GLU A 82 172.838 16.888 2.550 1.00 0.00 C ATOM 1260 OE1 GLU A 82 173.330 15.785 2.869 1.00 0.00 O ATOM 1261 OE2 GLU A 82 172.637 17.811 3.367 1.00 0.00 O ATOM 0 H GLU A 82 171.574 16.223 -1.613 1.00 0.00 H new ATOM 0 HA GLU A 82 171.802 14.636 0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 82 170.595 17.352 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 82 170.462 16.652 1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 82 173.177 16.596 0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 82 172.550 18.180 0.869 1.00 0.00 H new ATOM 1268 N MET A 83 169.666 13.704 1.469 1.00 0.00 N ATOM 1269 CA MET A 83 168.450 13.002 1.861 1.00 0.00 C ATOM 1270 C MET A 83 168.086 13.299 3.312 1.00 0.00 C ATOM 1271 O MET A 83 168.866 13.031 4.226 1.00 0.00 O ATOM 1272 CB MET A 83 168.626 11.494 1.671 1.00 0.00 C ATOM 1273 CG MET A 83 167.336 10.705 1.831 1.00 0.00 C ATOM 1274 SD MET A 83 167.609 8.923 1.847 1.00 0.00 S ATOM 1275 CE MET A 83 168.204 8.657 0.179 1.00 0.00 C ATOM 0 H MET A 83 170.490 13.460 2.018 1.00 0.00 H new ATOM 0 HA MET A 83 167.639 13.355 1.224 1.00 0.00 H new ATOM 0 HB2 MET A 83 169.036 11.307 0.678 1.00 0.00 H new ATOM 0 HB3 MET A 83 169.357 11.128 2.392 1.00 0.00 H new ATOM 0 HG2 MET A 83 166.846 11.002 2.758 1.00 0.00 H new ATOM 0 HG3 MET A 83 166.657 10.957 1.017 1.00 0.00 H new ATOM 0 HE1 MET A 83 168.017 7.624 -0.113 1.00 0.00 H new ATOM 0 HE2 MET A 83 167.683 9.327 -0.504 1.00 0.00 H new ATOM 0 HE3 MET A 83 169.275 8.858 0.138 1.00 0.00 H new ATOM 1285 N ASP A 84 166.893 13.846 3.515 1.00 0.00 N ATOM 1286 CA ASP A 84 166.417 14.173 4.855 1.00 0.00 C ATOM 1287 C ASP A 84 165.138 13.403 5.188 1.00 0.00 C ATOM 1288 O ASP A 84 164.622 13.494 6.302 1.00 0.00 O ATOM 1289 CB ASP A 84 166.166 15.677 4.976 1.00 0.00 C ATOM 1290 CG ASP A 84 165.211 16.192 3.916 1.00 0.00 C ATOM 1291 OD1 ASP A 84 165.680 16.529 2.809 1.00 0.00 O ATOM 1292 OD2 ASP A 84 163.995 16.257 4.194 1.00 0.00 O ATOM 0 H ASP A 84 166.236 14.073 2.768 1.00 0.00 H new ATOM 0 HA ASP A 84 167.189 13.880 5.567 1.00 0.00 H new ATOM 0 HB2 ASP A 84 165.760 15.896 5.964 1.00 0.00 H new ATOM 0 HB3 ASP A 84 167.114 16.208 4.896 1.00 0.00 H new ATOM 1297 N ASP A 85 164.630 12.645 4.217 1.00 0.00 N ATOM 1298 CA ASP A 85 163.416 11.864 4.407 1.00 0.00 C ATOM 1299 C ASP A 85 163.531 10.520 3.696 1.00 0.00 C ATOM 1300 O ASP A 85 163.242 10.407 2.504 1.00 0.00 O ATOM 1301 CB ASP A 85 162.201 12.632 3.884 1.00 0.00 C ATOM 1302 CG ASP A 85 161.885 13.853 4.726 1.00 0.00 C ATOM 1303 OD1 ASP A 85 162.171 13.826 5.941 1.00 0.00 O ATOM 1304 OD2 ASP A 85 161.353 14.837 4.170 1.00 0.00 O ATOM 0 H ASP A 85 165.045 12.557 3.289 1.00 0.00 H new ATOM 0 HA ASP A 85 163.285 11.685 5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 85 162.385 12.941 2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 85 161.335 11.970 3.868 1.00 0.00 H new ATOM 1309 N VAL A 86 163.963 9.507 4.437 1.00 0.00 N ATOM 1310 CA VAL A 86 164.126 8.168 3.885 1.00 0.00 C ATOM 1311 C VAL A 86 162.844 7.351 4.032 1.00 0.00 C ATOM 1312 O VAL A 86 162.128 7.470 5.026 1.00 0.00 O ATOM 1313 CB VAL A 86 165.301 7.419 4.560 1.00 0.00 C ATOM 1314 CG1 VAL A 86 165.280 7.631 6.065 1.00 0.00 C ATOM 1315 CG2 VAL A 86 165.275 5.933 4.222 1.00 0.00 C ATOM 0 H VAL A 86 164.207 9.588 5.424 1.00 0.00 H new ATOM 0 HA VAL A 86 164.350 8.284 2.825 1.00 0.00 H new ATOM 0 HB VAL A 86 166.230 7.833 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 86 166.114 7.096 6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 86 165.369 8.695 6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 86 164.342 7.254 6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 86 166.112 5.434 4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 86 164.339 5.497 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 86 165.355 5.804 3.143 1.00 0.00 H new ATOM 1325 N PHE A 87 162.571 6.517 3.035 1.00 0.00 N ATOM 1326 CA PHE A 87 161.386 5.669 3.042 1.00 0.00 C ATOM 1327 C PHE A 87 161.693 4.335 3.710 1.00 0.00 C ATOM 1328 O PHE A 87 160.840 3.753 4.381 1.00 0.00 O ATOM 1329 CB PHE A 87 160.898 5.418 1.613 1.00 0.00 C ATOM 1330 CG PHE A 87 160.039 6.517 1.057 1.00 0.00 C ATOM 1331 CD1 PHE A 87 158.710 6.629 1.427 1.00 0.00 C ATOM 1332 CD2 PHE A 87 160.560 7.433 0.157 1.00 0.00 C ATOM 1333 CE1 PHE A 87 157.915 7.634 0.912 1.00 0.00 C ATOM 1334 CE2 PHE A 87 159.771 8.441 -0.361 1.00 0.00 C ATOM 1335 CZ PHE A 87 158.446 8.541 0.016 1.00 0.00 C ATOM 0 H PHE A 87 163.158 6.410 2.208 1.00 0.00 H new ATOM 0 HA PHE A 87 160.605 6.183 3.603 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.763 5.283 0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 87 160.335 4.485 1.591 1.00 0.00 H new ATOM 0 HD1 PHE A 87 158.290 5.922 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 87 161.595 7.358 -0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 87 156.880 7.711 1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 87 160.189 9.150 -1.060 1.00 0.00 H new ATOM 0 HZ PHE A 87 157.826 9.327 -0.389 1.00 0.00 H new ATOM 1345 N ALA A 88 162.917 3.854 3.516 1.00 0.00 N ATOM 1346 CA ALA A 88 163.338 2.585 4.094 1.00 0.00 C ATOM 1347 C ALA A 88 164.858 2.470 4.118 1.00 0.00 C ATOM 1348 O ALA A 88 165.556 3.214 3.428 1.00 0.00 O ATOM 1349 CB ALA A 88 162.738 1.429 3.306 1.00 0.00 C ATOM 0 H ALA A 88 163.634 4.324 2.963 1.00 0.00 H new ATOM 0 HA ALA A 88 162.979 2.543 5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 88 163.058 0.484 3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.650 1.493 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 88 163.075 1.480 2.271 1.00 0.00 H new ATOM 1355 N LYS A 89 165.365 1.519 4.896 1.00 0.00 N ATOM 1356 CA LYS A 89 166.802 1.282 4.992 1.00 0.00 C ATOM 1357 C LYS A 89 167.075 -0.188 4.700 1.00 0.00 C ATOM 1358 O LYS A 89 166.260 -1.045 5.034 1.00 0.00 O ATOM 1359 CB LYS A 89 167.331 1.654 6.383 1.00 0.00 C ATOM 1360 CG LYS A 89 166.585 2.805 7.043 1.00 0.00 C ATOM 1361 CD LYS A 89 166.834 2.840 8.543 1.00 0.00 C ATOM 1362 CE LYS A 89 165.785 3.674 9.263 1.00 0.00 C ATOM 1363 NZ LYS A 89 166.398 4.599 10.256 1.00 0.00 N ATOM 0 H LYS A 89 164.799 0.897 5.472 1.00 0.00 H new ATOM 0 HA LYS A 89 167.318 1.909 4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 89 167.271 0.778 7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 89 168.385 1.918 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 89 166.901 3.748 6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 89 165.516 2.705 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 89 166.827 1.824 8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 89 167.824 3.251 8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 89 165.215 4.250 8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 89 165.080 3.014 9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 165.651 5.149 10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 166.921 4.048 10.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 167.051 5.246 9.770 1.00 0.00 H new ATOM 1377 N PHE A 90 168.195 -0.485 4.052 1.00 0.00 N ATOM 1378 CA PHE A 90 168.507 -1.867 3.702 1.00 0.00 C ATOM 1379 C PHE A 90 169.867 -2.313 4.221 1.00 0.00 C ATOM 1380 O PHE A 90 170.699 -1.501 4.620 1.00 0.00 O ATOM 1381 CB PHE A 90 168.466 -2.045 2.182 1.00 0.00 C ATOM 1382 CG PHE A 90 167.157 -1.650 1.558 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.664 -0.360 1.694 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.419 -2.571 0.834 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.461 0.000 1.121 1.00 0.00 C ATOM 1386 CE2 PHE A 90 165.215 -2.216 0.258 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.736 -0.929 0.403 1.00 0.00 C ATOM 0 H PHE A 90 168.893 0.200 3.762 1.00 0.00 H new ATOM 0 HA PHE A 90 167.751 -2.490 4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.264 -1.452 1.735 1.00 0.00 H new ATOM 0 HB3 PHE A 90 168.671 -3.088 1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.228 0.371 2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 90 166.789 -3.579 0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 90 165.088 1.007 1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 90 164.649 -2.944 -0.305 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.794 -0.650 -0.045 1.00 0.00 H new ATOM 1397 N LEU A 91 170.072 -3.626 4.188 1.00 0.00 N ATOM 1398 CA LEU A 91 171.319 -4.241 4.623 1.00 0.00 C ATOM 1399 C LEU A 91 171.582 -5.491 3.794 1.00 0.00 C ATOM 1400 O LEU A 91 170.739 -6.383 3.727 1.00 0.00 O ATOM 1401 CB LEU A 91 171.265 -4.603 6.109 1.00 0.00 C ATOM 1402 CG LEU A 91 170.755 -3.499 7.033 1.00 0.00 C ATOM 1403 CD1 LEU A 91 170.346 -4.085 8.375 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.820 -2.430 7.214 1.00 0.00 C ATOM 0 H LEU A 91 169.376 -4.294 3.858 1.00 0.00 H new ATOM 0 HA LEU A 91 172.128 -3.525 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 91 170.627 -5.478 6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 91 172.265 -4.891 6.432 1.00 0.00 H new ATOM 0 HG LEU A 91 169.879 -3.036 6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 91 169.984 -3.288 9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.554 -4.819 8.225 1.00 0.00 H new ATOM 0 HD13 LEU A 91 171.206 -4.569 8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 91 171.443 -1.649 7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.713 -2.876 7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 91 172.069 -1.997 6.245 1.00 0.00 H new ATOM 1416 N ILE A 92 172.740 -5.544 3.146 1.00 0.00 N ATOM 1417 CA ILE A 92 173.085 -6.685 2.305 1.00 0.00 C ATOM 1418 C ILE A 92 174.426 -7.295 2.702 1.00 0.00 C ATOM 1419 O ILE A 92 175.389 -6.580 2.981 1.00 0.00 O ATOM 1420 CB ILE A 92 173.132 -6.278 0.818 1.00 0.00 C ATOM 1421 CG1 ILE A 92 171.935 -5.388 0.474 1.00 0.00 C ATOM 1422 CG2 ILE A 92 173.145 -7.510 -0.072 1.00 0.00 C ATOM 1423 CD1 ILE A 92 172.274 -3.919 0.394 1.00 0.00 C ATOM 0 H ILE A 92 173.452 -4.815 3.186 1.00 0.00 H new ATOM 0 HA ILE A 92 172.306 -7.433 2.452 1.00 0.00 H new ATOM 0 HB ILE A 92 174.049 -5.716 0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 92 171.518 -5.708 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 92 171.159 -5.532 1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 92 173.178 -7.203 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 92 174.022 -8.115 0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 92 172.244 -8.097 0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 92 171.377 -3.352 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 92 172.663 -3.582 1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 92 173.028 -3.761 -0.377 1.00 0.00 H new ATOM 1435 N SER A 93 174.477 -8.625 2.726 1.00 0.00 N ATOM 1436 CA SER A 93 175.695 -9.342 3.089 1.00 0.00 C ATOM 1437 C SER A 93 176.805 -9.081 2.076 1.00 0.00 C ATOM 1438 O SER A 93 176.679 -9.418 0.899 1.00 0.00 O ATOM 1439 CB SER A 93 175.418 -10.843 3.183 1.00 0.00 C ATOM 1440 OG SER A 93 176.498 -11.523 3.800 1.00 0.00 O ATOM 0 H SER A 93 173.687 -9.228 2.498 1.00 0.00 H new ATOM 0 HA SER A 93 176.024 -8.977 4.062 1.00 0.00 H new ATOM 0 HB2 SER A 93 174.504 -11.012 3.753 1.00 0.00 H new ATOM 0 HB3 SER A 93 175.251 -11.249 2.185 1.00 0.00 H new ATOM 0 HG SER A 93 176.296 -12.481 3.850 1.00 0.00 H new ATOM 1446 N HIS A 94 177.890 -8.473 2.543 1.00 0.00 N ATOM 1447 CA HIS A 94 179.024 -8.158 1.678 1.00 0.00 C ATOM 1448 C HIS A 94 179.605 -9.422 1.045 1.00 0.00 C ATOM 1449 O HIS A 94 180.022 -9.410 -0.113 1.00 0.00 O ATOM 1450 CB HIS A 94 180.117 -7.433 2.468 1.00 0.00 C ATOM 1451 CG HIS A 94 179.902 -5.957 2.593 1.00 0.00 C ATOM 1452 ND1 HIS A 94 180.505 -5.041 1.764 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.161 -5.239 3.469 1.00 0.00 C ATOM 1454 CE1 HIS A 94 180.151 -3.820 2.124 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.334 -3.913 3.155 1.00 0.00 N ATOM 0 H HIS A 94 178.009 -8.188 3.515 1.00 0.00 H new ATOM 0 HA HIS A 94 178.660 -7.506 0.883 1.00 0.00 H new ATOM 0 HB2 HIS A 94 180.177 -7.867 3.466 1.00 0.00 H new ATOM 0 HB3 HIS A 94 181.078 -7.610 1.985 1.00 0.00 H new ATOM 0 HD2 HIS A 94 178.548 -5.635 4.266 1.00 0.00 H new ATOM 0 HE1 HIS A 94 180.475 -2.903 1.654 1.00 0.00 H new ATOM 0 HE2 HIS A 94 178.901 -3.128 3.641 1.00 0.00 H new ATOM 1464 N ARG A 95 179.638 -10.507 1.814 1.00 0.00 N ATOM 1465 CA ARG A 95 180.179 -11.775 1.330 1.00 0.00 C ATOM 1466 C ARG A 95 179.502 -12.213 0.033 1.00 0.00 C ATOM 1467 O ARG A 95 178.629 -11.519 -0.489 1.00 0.00 O ATOM 1468 CB ARG A 95 180.022 -12.861 2.397 1.00 0.00 C ATOM 1469 CG ARG A 95 181.318 -13.190 3.119 1.00 0.00 C ATOM 1470 CD ARG A 95 182.032 -14.366 2.471 1.00 0.00 C ATOM 1471 NE ARG A 95 182.704 -13.984 1.231 1.00 0.00 N ATOM 1472 CZ ARG A 95 183.696 -14.679 0.679 1.00 0.00 C ATOM 1473 NH1 ARG A 95 184.133 -15.794 1.252 1.00 0.00 N ATOM 1474 NH2 ARG A 95 184.251 -14.260 -0.449 1.00 0.00 N ATOM 0 H ARG A 95 179.297 -10.534 2.775 1.00 0.00 H new ATOM 0 HA ARG A 95 181.239 -11.626 1.123 1.00 0.00 H new ATOM 0 HB2 ARG A 95 179.280 -12.538 3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 95 179.636 -13.766 1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 95 181.971 -12.318 3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 95 181.106 -13.422 4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 95 182.763 -14.775 3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 95 181.312 -15.158 2.264 1.00 0.00 H new ATOM 0 HE ARG A 95 182.394 -13.134 0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 95 183.708 -16.122 2.119 1.00 0.00 H new ATOM 0 HH12 ARG A 95 184.893 -16.323 0.825 1.00 0.00 H new ATOM 0 HH21 ARG A 95 183.918 -13.405 -0.894 1.00 0.00 H new ATOM 0 HH22 ARG A 95 185.011 -14.793 -0.872 1.00 0.00 H new ATOM 1488 N GLU A 96 179.916 -13.368 -0.482 1.00 0.00 N ATOM 1489 CA GLU A 96 179.357 -13.902 -1.720 1.00 0.00 C ATOM 1490 C GLU A 96 178.531 -15.159 -1.456 1.00 0.00 C ATOM 1491 O GLU A 96 177.443 -15.322 -2.007 1.00 0.00 O ATOM 1492 CB GLU A 96 180.475 -14.214 -2.717 1.00 0.00 C ATOM 1493 CG GLU A 96 180.004 -14.268 -4.162 1.00 0.00 C ATOM 1494 CD GLU A 96 179.785 -12.890 -4.757 1.00 0.00 C ATOM 1495 OE1 GLU A 96 178.992 -12.115 -4.182 1.00 0.00 O ATOM 1496 OE2 GLU A 96 180.406 -12.588 -5.797 1.00 0.00 O ATOM 0 H GLU A 96 180.638 -13.952 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 96 178.700 -13.143 -2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 96 181.254 -13.457 -2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 96 180.928 -15.170 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 96 180.740 -14.805 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 96 179.075 -14.835 -4.216 1.00 0.00 H new ATOM 1503 N GLU A 97 179.050 -16.041 -0.607 1.00 0.00 N ATOM 1504 CA GLU A 97 178.350 -17.277 -0.270 1.00 0.00 C ATOM 1505 C GLU A 97 177.260 -17.004 0.756 1.00 0.00 C ATOM 1506 O GLU A 97 177.528 -16.471 1.833 1.00 0.00 O ATOM 1507 CB GLU A 97 179.334 -18.318 0.269 1.00 0.00 C ATOM 1508 CG GLU A 97 179.368 -19.601 -0.545 1.00 0.00 C ATOM 1509 CD GLU A 97 180.055 -20.737 0.188 1.00 0.00 C ATOM 1510 OE1 GLU A 97 179.812 -20.892 1.404 1.00 0.00 O ATOM 1511 OE2 GLU A 97 180.836 -21.471 -0.453 1.00 0.00 O ATOM 0 H GLU A 97 179.950 -15.924 -0.141 1.00 0.00 H new ATOM 0 HA GLU A 97 177.888 -17.671 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 97 180.334 -17.884 0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 97 179.069 -18.558 1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 97 178.349 -19.897 -0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 97 179.884 -19.416 -1.487 1.00 0.00 H new ATOM 1518 N ASP A 98 176.025 -17.349 0.409 1.00 0.00 N ATOM 1519 CA ASP A 98 174.897 -17.113 1.298 1.00 0.00 C ATOM 1520 C ASP A 98 174.691 -15.615 1.462 1.00 0.00 C ATOM 1521 O ASP A 98 175.528 -14.926 2.045 1.00 0.00 O ATOM 1522 CB ASP A 98 175.133 -17.767 2.661 1.00 0.00 C ATOM 1523 CG ASP A 98 173.851 -18.281 3.286 1.00 0.00 C ATOM 1524 OD1 ASP A 98 173.074 -18.956 2.578 1.00 0.00 O ATOM 1525 OD2 ASP A 98 173.623 -18.008 4.484 1.00 0.00 O ATOM 0 H ASP A 98 175.782 -17.791 -0.478 1.00 0.00 H new ATOM 0 HA ASP A 98 174.003 -17.558 0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 98 175.835 -18.593 2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 98 175.597 -17.044 3.332 1.00 0.00 H new ATOM 1530 N ARG A 99 173.585 -15.109 0.933 1.00 0.00 N ATOM 1531 CA ARG A 99 173.288 -13.685 1.012 1.00 0.00 C ATOM 1532 C ARG A 99 172.051 -13.425 1.865 1.00 0.00 C ATOM 1533 O ARG A 99 171.015 -14.067 1.689 1.00 0.00 O ATOM 1534 CB ARG A 99 173.078 -13.122 -0.396 1.00 0.00 C ATOM 1535 CG ARG A 99 172.799 -11.628 -0.429 1.00 0.00 C ATOM 1536 CD ARG A 99 174.088 -10.824 -0.490 1.00 0.00 C ATOM 1537 NE ARG A 99 174.534 -10.606 -1.864 1.00 0.00 N ATOM 1538 CZ ARG A 99 173.874 -9.864 -2.752 1.00 0.00 C ATOM 1539 NH1 ARG A 99 172.736 -9.269 -2.416 1.00 0.00 N ATOM 1540 NH2 ARG A 99 174.353 -9.717 -3.979 1.00 0.00 N ATOM 0 H ARG A 99 172.880 -15.662 0.446 1.00 0.00 H new ATOM 0 HA ARG A 99 174.134 -13.186 1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 99 173.965 -13.329 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 99 172.246 -13.647 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 99 172.179 -11.391 -1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 99 172.232 -11.343 0.457 1.00 0.00 H new ATOM 0 HD2 ARG A 99 173.938 -9.862 -0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 99 174.867 -11.346 0.065 1.00 0.00 H new ATOM 0 HE ARG A 99 175.403 -11.049 -2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 99 172.362 -9.379 -1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 99 172.235 -8.702 -3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 99 175.227 -10.172 -4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 99 173.848 -9.149 -4.659 1.00 0.00 H new ATOM 1554 N GLU A 100 172.166 -12.472 2.784 1.00 0.00 N ATOM 1555 CA GLU A 100 171.058 -12.115 3.661 1.00 0.00 C ATOM 1556 C GLU A 100 170.797 -10.615 3.603 1.00 0.00 C ATOM 1557 O GLU A 100 171.729 -9.813 3.655 1.00 0.00 O ATOM 1558 CB GLU A 100 171.356 -12.536 5.102 1.00 0.00 C ATOM 1559 CG GLU A 100 170.114 -12.887 5.907 1.00 0.00 C ATOM 1560 CD GLU A 100 169.242 -13.919 5.218 1.00 0.00 C ATOM 1561 OE1 GLU A 100 168.401 -13.523 4.383 1.00 0.00 O ATOM 1562 OE2 GLU A 100 169.400 -15.122 5.513 1.00 0.00 O ATOM 0 H GLU A 100 173.017 -11.932 2.941 1.00 0.00 H new ATOM 0 HA GLU A 100 170.168 -12.643 3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 100 172.024 -13.397 5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 100 171.887 -11.728 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 100 170.414 -13.265 6.884 1.00 0.00 H new ATOM 0 HG3 GLU A 100 169.531 -11.983 6.081 1.00 0.00 H new ATOM 1569 N PHE A 101 169.528 -10.239 3.495 1.00 0.00 N ATOM 1570 CA PHE A 101 169.166 -8.830 3.431 1.00 0.00 C ATOM 1571 C PHE A 101 167.893 -8.542 4.222 1.00 0.00 C ATOM 1572 O PHE A 101 166.968 -9.354 4.256 1.00 0.00 O ATOM 1573 CB PHE A 101 169.001 -8.379 1.976 1.00 0.00 C ATOM 1574 CG PHE A 101 167.787 -8.951 1.299 1.00 0.00 C ATOM 1575 CD1 PHE A 101 166.539 -8.382 1.491 1.00 0.00 C ATOM 1576 CD2 PHE A 101 167.896 -10.057 0.470 1.00 0.00 C ATOM 1577 CE1 PHE A 101 165.420 -8.905 0.870 1.00 0.00 C ATOM 1578 CE2 PHE A 101 166.781 -10.584 -0.154 1.00 0.00 C ATOM 1579 CZ PHE A 101 165.542 -10.008 0.047 1.00 0.00 C ATOM 0 H PHE A 101 168.739 -10.884 3.450 1.00 0.00 H new ATOM 0 HA PHE A 101 169.978 -8.262 3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 101 168.943 -7.291 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 101 169.889 -8.666 1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 101 166.439 -7.520 2.133 1.00 0.00 H new ATOM 0 HD2 PHE A 101 168.863 -10.512 0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 101 164.452 -8.452 1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 101 166.879 -11.445 -0.798 1.00 0.00 H new ATOM 0 HZ PHE A 101 164.669 -10.419 -0.439 1.00 0.00 H new ATOM 1589 N HIS A 102 167.857 -7.369 4.848 1.00 0.00 N ATOM 1590 CA HIS A 102 166.705 -6.945 5.634 1.00 0.00 C ATOM 1591 C HIS A 102 166.409 -5.470 5.367 1.00 0.00 C ATOM 1592 O HIS A 102 167.290 -4.724 4.941 1.00 0.00 O ATOM 1593 CB HIS A 102 166.915 -7.187 7.141 1.00 0.00 C ATOM 1594 CG HIS A 102 168.335 -7.450 7.576 1.00 0.00 C ATOM 1595 ND1 HIS A 102 168.835 -6.999 8.781 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.351 -8.139 6.991 1.00 0.00 C ATOM 1597 CE1 HIS A 102 170.088 -7.397 8.916 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.423 -8.088 7.846 1.00 0.00 N ATOM 0 H HIS A 102 168.619 -6.692 4.825 1.00 0.00 H new ATOM 0 HA HIS A 102 165.851 -7.548 5.326 1.00 0.00 H new ATOM 0 HB2 HIS A 102 166.545 -6.317 7.684 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.301 -8.036 7.442 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.320 -8.634 6.032 1.00 0.00 H new ATOM 0 HE1 HIS A 102 170.729 -7.191 9.761 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.333 -8.517 7.680 1.00 0.00 H new ATOM 1607 N VAL A 103 165.164 -5.057 5.594 1.00 0.00 N ATOM 1608 CA VAL A 103 164.783 -3.669 5.342 1.00 0.00 C ATOM 1609 C VAL A 103 163.643 -3.180 6.234 1.00 0.00 C ATOM 1610 O VAL A 103 162.714 -3.926 6.544 1.00 0.00 O ATOM 1611 CB VAL A 103 164.367 -3.481 3.870 1.00 0.00 C ATOM 1612 CG1 VAL A 103 163.098 -4.263 3.566 1.00 0.00 C ATOM 1613 CG2 VAL A 103 164.182 -2.007 3.540 1.00 0.00 C ATOM 0 H VAL A 103 164.413 -5.651 5.946 1.00 0.00 H new ATOM 0 HA VAL A 103 165.667 -3.075 5.575 1.00 0.00 H new ATOM 0 HB VAL A 103 165.168 -3.869 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 103 162.822 -4.117 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.271 -5.323 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.291 -3.910 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.889 -1.902 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.406 -1.586 4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 103 165.119 -1.476 3.709 1.00 0.00 H new ATOM 1623 N ILE A 104 163.704 -1.899 6.601 1.00 0.00 N ATOM 1624 CA ILE A 104 162.657 -1.283 7.409 1.00 0.00 C ATOM 1625 C ILE A 104 161.872 -0.282 6.577 1.00 0.00 C ATOM 1626 O ILE A 104 162.452 0.502 5.827 1.00 0.00 O ATOM 1627 CB ILE A 104 163.201 -0.552 8.650 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.520 0.174 8.335 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.347 -1.524 9.807 1.00 0.00 C ATOM 1630 CD1 ILE A 104 165.750 -0.709 8.357 1.00 0.00 C ATOM 0 H ILE A 104 164.467 -1.271 6.351 1.00 0.00 H new ATOM 0 HA ILE A 104 162.020 -2.100 7.748 1.00 0.00 H new ATOM 0 HB ILE A 104 162.485 0.215 8.947 1.00 0.00 H new ATOM 0 HG12 ILE A 104 164.439 0.636 7.351 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.656 0.981 9.055 1.00 0.00 H new ATOM 0 HG21 ILE A 104 163.732 -0.996 10.679 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.375 -1.956 10.044 1.00 0.00 H new ATOM 0 HG23 ILE A 104 164.039 -2.319 9.529 1.00 0.00 H new ATOM 0 HD11 ILE A 104 166.631 -0.111 8.124 1.00 0.00 H new ATOM 0 HD12 ILE A 104 165.863 -1.151 9.347 1.00 0.00 H new ATOM 0 HD13 ILE A 104 165.642 -1.501 7.616 1.00 0.00 H new ATOM 1642 N TRP A 105 160.553 -0.305 6.715 1.00 0.00 N ATOM 1643 CA TRP A 105 159.700 0.617 5.970 1.00 0.00 C ATOM 1644 C TRP A 105 159.096 1.677 6.906 1.00 0.00 C ATOM 1645 O TRP A 105 159.796 2.604 7.313 1.00 0.00 O ATOM 1646 CB TRP A 105 158.614 -0.147 5.197 1.00 0.00 C ATOM 1647 CG TRP A 105 159.134 -1.315 4.409 1.00 0.00 C ATOM 1648 CD1 TRP A 105 159.044 -2.637 4.741 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.805 -1.265 3.144 1.00 0.00 C ATOM 1650 NE1 TRP A 105 159.620 -3.410 3.762 1.00 0.00 N ATOM 1651 CE2 TRP A 105 160.093 -2.592 2.771 1.00 0.00 C ATOM 1652 CE3 TRP A 105 160.192 -0.230 2.290 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.744 -2.906 1.581 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 160.836 -0.542 1.114 1.00 0.00 C ATOM 1655 CH2 TRP A 105 161.106 -1.870 0.765 1.00 0.00 C ATOM 0 H TRP A 105 160.052 -0.946 7.330 1.00 0.00 H new ATOM 0 HA TRP A 105 160.314 1.140 5.237 1.00 0.00 H new ATOM 0 HB2 TRP A 105 157.863 -0.503 5.902 1.00 0.00 H new ATOM 0 HB3 TRP A 105 158.113 0.542 4.518 1.00 0.00 H new ATOM 0 HD1 TRP A 105 158.587 -3.019 5.642 1.00 0.00 H new ATOM 0 HE1 TRP A 105 159.685 -4.428 3.772 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.989 0.799 2.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 160.955 -3.930 1.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 161.138 0.253 0.448 1.00 0.00 H new ATOM 0 HH2 TRP A 105 161.610 -2.081 -0.167 1.00 0.00 H new ATOM 1666 N LYS A 106 157.811 1.553 7.257 1.00 0.00 N ATOM 1667 CA LYS A 106 157.177 2.521 8.146 1.00 0.00 C ATOM 1668 C LYS A 106 155.820 2.014 8.625 1.00 0.00 C ATOM 1669 O LYS A 106 155.168 1.219 7.948 1.00 0.00 O ATOM 1670 CB LYS A 106 157.017 3.869 7.440 1.00 0.00 C ATOM 1671 CG LYS A 106 157.523 5.046 8.259 1.00 0.00 C ATOM 1672 CD LYS A 106 157.826 6.252 7.381 1.00 0.00 C ATOM 1673 CE LYS A 106 159.303 6.612 7.415 1.00 0.00 C ATOM 1674 NZ LYS A 106 159.604 7.624 8.465 1.00 0.00 N ATOM 0 H LYS A 106 157.200 0.800 6.941 1.00 0.00 H new ATOM 0 HA LYS A 106 157.820 2.653 9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 106 157.553 3.839 6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 106 155.964 4.025 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 106 156.777 5.318 9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 106 158.423 4.753 8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 106 157.526 6.040 6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 106 157.235 7.105 7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 106 159.892 5.713 7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 106 159.605 6.998 6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 160.621 7.842 8.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 159.062 8.491 8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 159.340 7.246 9.397 1.00 0.00 H new ATOM 1688 N LYS A 107 155.401 2.480 9.798 1.00 0.00 N ATOM 1689 CA LYS A 107 154.122 2.074 10.370 1.00 0.00 C ATOM 1690 C LYS A 107 153.261 3.290 10.697 1.00 0.00 C ATOM 1691 O LYS A 107 153.572 3.985 11.688 1.00 0.00 O ATOM 1692 CB LYS A 107 154.346 1.239 11.632 1.00 0.00 C ATOM 1693 CG LYS A 107 155.235 1.920 12.662 1.00 0.00 C ATOM 1694 CD LYS A 107 156.490 1.108 12.944 1.00 0.00 C ATOM 1695 CE LYS A 107 157.205 1.602 14.191 1.00 0.00 C ATOM 1696 NZ LYS A 107 158.670 1.341 14.131 1.00 0.00 N ATOM 1697 OXT LYS A 107 152.284 3.539 9.960 1.00 0.00 O ATOM 0 H LYS A 107 155.929 3.139 10.371 1.00 0.00 H new ATOM 0 HA LYS A 107 153.598 1.469 9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 107 153.381 1.017 12.087 1.00 0.00 H new ATOM 0 HB3 LYS A 107 154.793 0.285 11.352 1.00 0.00 H new ATOM 0 HG2 LYS A 107 155.515 2.911 12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 107 154.677 2.062 13.588 1.00 0.00 H new ATOM 0 HD2 LYS A 107 156.225 0.058 13.067 1.00 0.00 H new ATOM 0 HD3 LYS A 107 157.164 1.169 12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 107 157.031 2.672 14.309 1.00 0.00 H new ATOM 0 HE3 LYS A 107 156.784 1.112 15.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 159.121 1.693 15.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 158.837 0.318 14.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 159.076 1.830 13.308 1.00 0.00 H new