USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 429 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 HIS : no HE2:sc= 1.3 K(o=3.2,f=-3.9!) USER MOD Set 1.2: A 64 LYS NZ :NH3+ -131:sc= 1.86 (180deg=-0.868) USER MOD Set 2.1: A 53 THR OG1 : rot 140:sc= 0.824 USER MOD Set 2.2: A 55 LYS NZ :NH3+ 143:sc= 0.932 (180deg=0) USER MOD Set 3.1: A 17 LYS NZ :NH3+ -172:sc= 1.92 (180deg=0.707) USER MOD Set 3.2: A 43 ASN : amide:sc= 1.32 K(o=3.2,f=-5.8!) USER MOD Set 4.1: A 14 ASN : amide:sc= 1.02 K(o=1.3,f=0.25) USER MOD Set 4.2: A 22 TYR OH : rot 180:sc= 0.292 USER MOD Single : A 11 MET CE :methyl -168:sc= -0.231 (180deg=-0.762) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 21 GLN : amide:sc= 0.203! X(o=0.2!,f=-0.013) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 179:sc= 0 (180deg=-0.000881) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -0.509 F(o=-3!,f=-0.51) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00164) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 121 N ALA A 9 -1.443 7.136 -2.615 1.00 0.00 N ATOM 122 CA ALA A 9 -0.176 7.204 -1.884 1.00 0.00 C ATOM 123 C ALA A 9 1.010 7.491 -2.817 1.00 0.00 C ATOM 124 O ALA A 9 1.813 8.385 -2.550 1.00 0.00 O ATOM 125 CB ALA A 9 0.048 5.924 -1.074 1.00 0.00 C ATOM 0 HA ALA A 9 -0.240 8.041 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.994 5.994 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.765 5.799 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.075 5.067 -1.747 1.00 0.00 H new ATOM 131 N LEU A 10 1.138 6.738 -3.915 1.00 0.00 N ATOM 132 CA LEU A 10 2.299 6.858 -4.790 1.00 0.00 C ATOM 133 C LEU A 10 2.360 8.258 -5.378 1.00 0.00 C ATOM 134 O LEU A 10 3.400 8.893 -5.291 1.00 0.00 O ATOM 135 CB LEU A 10 2.316 5.736 -5.836 1.00 0.00 C ATOM 136 CG LEU A 10 2.910 4.394 -5.336 1.00 0.00 C ATOM 137 CD1 LEU A 10 4.440 4.457 -5.279 1.00 0.00 C ATOM 138 CD2 LEU A 10 2.468 3.931 -3.942 1.00 0.00 C ATOM 0 H LEU A 10 0.453 6.044 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 10 3.215 6.726 -4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.296 5.561 -6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.889 6.072 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 10 2.526 3.684 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.831 3.503 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.833 4.663 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.746 5.250 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.949 2.982 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.755 4.679 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.386 3.803 -3.927 1.00 0.00 H new ATOM 150 N MET A 11 1.263 8.779 -5.917 1.00 0.00 N ATOM 151 CA MET A 11 1.200 10.181 -6.311 1.00 0.00 C ATOM 152 C MET A 11 1.524 11.167 -5.178 1.00 0.00 C ATOM 153 O MET A 11 2.255 12.117 -5.433 1.00 0.00 O ATOM 154 CB MET A 11 -0.068 10.530 -7.098 1.00 0.00 C ATOM 155 CG MET A 11 -1.398 10.527 -6.338 1.00 0.00 C ATOM 156 SD MET A 11 -2.280 12.101 -6.119 1.00 0.00 S ATOM 157 CE MET A 11 -1.380 12.846 -4.733 1.00 0.00 C ATOM 0 H MET A 11 0.407 8.252 -6.091 1.00 0.00 H new ATOM 0 HA MET A 11 2.019 10.313 -7.017 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.068 11.520 -7.533 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.153 9.827 -7.927 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.071 9.840 -6.851 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.212 10.111 -5.348 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.937 13.704 -4.356 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.264 12.110 -3.937 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.397 13.173 -5.071 1.00 0.00 H new ATOM 167 N GLN A 12 1.073 10.945 -3.930 1.00 0.00 N ATOM 168 CA GLN A 12 1.459 11.797 -2.788 1.00 0.00 C ATOM 169 C GLN A 12 2.988 11.927 -2.681 1.00 0.00 C ATOM 170 O GLN A 12 3.540 13.018 -2.855 1.00 0.00 O ATOM 171 CB GLN A 12 0.777 11.289 -1.488 1.00 0.00 C ATOM 172 CG GLN A 12 1.525 11.475 -0.150 1.00 0.00 C ATOM 173 CD GLN A 12 0.745 10.912 1.040 1.00 0.00 C ATOM 174 OE1 GLN A 12 -0.428 11.194 1.249 1.00 0.00 O ATOM 175 NE2 GLN A 12 1.357 10.090 1.869 1.00 0.00 N ATOM 0 H GLN A 12 0.441 10.183 -3.686 1.00 0.00 H new ATOM 0 HA GLN A 12 1.096 12.811 -2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.188 11.788 -1.402 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.576 10.225 -1.612 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.496 10.984 -0.209 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.714 12.536 0.013 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.334 9.842 1.713 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.854 9.702 2.667 1.00 0.00 H new ATOM 184 N LEU A 13 3.690 10.826 -2.404 1.00 0.00 N ATOM 185 CA LEU A 13 5.135 10.913 -2.169 1.00 0.00 C ATOM 186 C LEU A 13 5.968 11.116 -3.436 1.00 0.00 C ATOM 187 O LEU A 13 6.943 11.856 -3.381 1.00 0.00 O ATOM 188 CB LEU A 13 5.684 9.879 -1.167 1.00 0.00 C ATOM 189 CG LEU A 13 5.290 8.403 -1.225 1.00 0.00 C ATOM 190 CD1 LEU A 13 3.964 8.229 -0.478 1.00 0.00 C ATOM 191 CD2 LEU A 13 5.232 7.916 -2.662 1.00 0.00 C ATOM 0 H LEU A 13 3.296 9.887 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 13 5.268 11.855 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.771 9.917 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.420 10.236 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 13 6.042 7.785 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.665 7.181 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.087 8.542 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.196 8.839 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.950 6.863 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.494 8.498 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.211 8.036 -3.127 1.00 0.00 H new ATOM 203 N ASN A 14 5.590 10.537 -4.578 1.00 0.00 N ATOM 204 CA ASN A 14 6.227 10.848 -5.862 1.00 0.00 C ATOM 205 C ASN A 14 6.053 12.315 -6.290 1.00 0.00 C ATOM 206 O ASN A 14 6.913 12.826 -6.998 1.00 0.00 O ATOM 207 CB ASN A 14 5.814 9.858 -6.965 1.00 0.00 C ATOM 208 CG ASN A 14 6.429 8.488 -6.730 1.00 0.00 C ATOM 209 OD1 ASN A 14 7.606 8.251 -6.967 1.00 0.00 O ATOM 210 ND2 ASN A 14 5.659 7.553 -6.237 1.00 0.00 N ATOM 0 H ASN A 14 4.842 9.846 -4.640 1.00 0.00 H new ATOM 0 HA ASN A 14 7.298 10.719 -5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.728 9.772 -6.993 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.129 10.239 -7.936 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.039 6.625 -6.050 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.678 7.751 -6.040 1.00 0.00 H new ATOM 217 N GLU A 15 4.983 13.017 -5.897 1.00 0.00 N ATOM 218 CA GLU A 15 4.945 14.489 -6.023 1.00 0.00 C ATOM 219 C GLU A 15 5.944 15.159 -5.092 1.00 0.00 C ATOM 220 O GLU A 15 6.818 15.908 -5.532 1.00 0.00 O ATOM 221 CB GLU A 15 3.551 15.072 -5.738 1.00 0.00 C ATOM 222 CG GLU A 15 2.657 14.813 -6.940 1.00 0.00 C ATOM 223 CD GLU A 15 1.159 15.089 -6.697 1.00 0.00 C ATOM 224 OE1 GLU A 15 0.788 15.764 -5.704 1.00 0.00 O ATOM 225 OE2 GLU A 15 0.336 14.673 -7.548 1.00 0.00 O ATOM 0 H GLU A 15 4.142 12.603 -5.495 1.00 0.00 H new ATOM 0 HA GLU A 15 5.208 14.696 -7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.125 14.614 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.622 16.142 -5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.997 15.433 -7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.776 13.774 -7.248 1.00 0.00 H new ATOM 232 N ILE A 16 5.752 14.933 -3.791 1.00 0.00 N ATOM 233 CA ILE A 16 6.495 15.634 -2.745 1.00 0.00 C ATOM 234 C ILE A 16 8.026 15.423 -2.858 1.00 0.00 C ATOM 235 O ILE A 16 8.810 16.360 -2.685 1.00 0.00 O ATOM 236 CB ILE A 16 5.935 15.230 -1.367 1.00 0.00 C ATOM 237 CG1 ILE A 16 4.449 15.622 -1.173 1.00 0.00 C ATOM 238 CG2 ILE A 16 6.771 15.871 -0.240 1.00 0.00 C ATOM 239 CD1 ILE A 16 3.783 14.900 0.008 1.00 0.00 C ATOM 0 H ILE A 16 5.076 14.258 -3.434 1.00 0.00 H new ATOM 0 HA ILE A 16 6.353 16.707 -2.874 1.00 0.00 H new ATOM 0 HB ILE A 16 5.998 14.143 -1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.381 16.699 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.898 15.396 -2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.364 15.577 0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.805 15.533 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.736 16.956 -0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.744 15.218 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.821 13.823 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.311 15.146 0.929 1.00 0.00 H new ATOM 251 N LYS A 17 8.436 14.188 -3.175 1.00 0.00 N ATOM 252 CA LYS A 17 9.808 13.663 -3.296 1.00 0.00 C ATOM 253 C LYS A 17 9.925 12.809 -4.577 1.00 0.00 C ATOM 254 O LYS A 17 9.837 11.583 -4.499 1.00 0.00 O ATOM 255 CB LYS A 17 10.161 12.802 -2.060 1.00 0.00 C ATOM 256 CG LYS A 17 10.341 13.530 -0.727 1.00 0.00 C ATOM 257 CD LYS A 17 11.407 14.633 -0.780 1.00 0.00 C ATOM 258 CE LYS A 17 11.916 14.950 0.630 1.00 0.00 C ATOM 259 NZ LYS A 17 13.009 14.030 1.029 1.00 0.00 N ATOM 0 H LYS A 17 7.751 13.459 -3.373 1.00 0.00 H new ATOM 0 HA LYS A 17 10.504 14.500 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.377 12.056 -1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.083 12.262 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.389 13.968 -0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.614 12.806 0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.237 14.315 -1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.988 15.531 -1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.273 15.979 0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.094 14.872 1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.240 14.179 2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.704 13.046 0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.851 14.219 0.448 1.00 0.00 H new ATOM 273 N PRO A 18 10.115 13.400 -5.770 1.00 0.00 N ATOM 274 CA PRO A 18 10.098 12.686 -7.055 1.00 0.00 C ATOM 275 C PRO A 18 11.394 11.896 -7.344 1.00 0.00 C ATOM 276 O PRO A 18 11.978 11.982 -8.428 1.00 0.00 O ATOM 277 CB PRO A 18 9.821 13.787 -8.084 1.00 0.00 C ATOM 278 CG PRO A 18 10.537 15.000 -7.493 1.00 0.00 C ATOM 279 CD PRO A 18 10.296 14.829 -5.992 1.00 0.00 C ATOM 0 HA PRO A 18 9.341 11.902 -7.072 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.212 13.527 -9.068 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.753 13.968 -8.203 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.600 15.002 -7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 18 10.123 15.937 -7.866 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.140 15.209 -5.416 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.416 15.387 -5.673 1.00 0.00 H new ATOM 287 N GLY A 19 11.881 11.143 -6.357 1.00 0.00 N ATOM 288 CA GLY A 19 13.143 10.407 -6.426 1.00 0.00 C ATOM 289 C GLY A 19 13.321 9.361 -5.321 1.00 0.00 C ATOM 290 O GLY A 19 14.451 9.137 -4.881 1.00 0.00 O ATOM 0 H GLY A 19 11.397 11.025 -5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.209 9.911 -7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.968 11.117 -6.375 1.00 0.00 H new ATOM 294 N LEU A 20 12.230 8.745 -4.836 1.00 0.00 N ATOM 295 CA LEU A 20 12.318 7.632 -3.884 1.00 0.00 C ATOM 296 C LEU A 20 12.995 6.407 -4.515 1.00 0.00 C ATOM 297 O LEU A 20 13.060 6.274 -5.742 1.00 0.00 O ATOM 298 CB LEU A 20 10.925 7.214 -3.373 1.00 0.00 C ATOM 299 CG LEU A 20 10.200 8.276 -2.525 1.00 0.00 C ATOM 300 CD1 LEU A 20 8.983 8.799 -3.277 1.00 0.00 C ATOM 301 CD2 LEU A 20 9.701 7.674 -1.208 1.00 0.00 C ATOM 0 H LEU A 20 11.276 9.002 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 20 12.919 7.989 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.299 6.965 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.029 6.305 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 20 10.910 9.078 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.476 9.550 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.302 9.247 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.299 7.975 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.192 8.443 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.007 6.861 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.548 7.290 -0.640 1.00 0.00 H new ATOM 313 N GLN A 21 13.398 5.455 -3.672 1.00 0.00 N ATOM 314 CA GLN A 21 13.781 4.110 -4.120 1.00 0.00 C ATOM 315 C GLN A 21 12.955 3.057 -3.383 1.00 0.00 C ATOM 316 O GLN A 21 13.026 3.013 -2.169 1.00 0.00 O ATOM 317 CB GLN A 21 15.292 3.927 -3.879 1.00 0.00 C ATOM 318 CG GLN A 21 15.808 2.514 -4.212 1.00 0.00 C ATOM 319 CD GLN A 21 16.190 1.668 -2.989 1.00 0.00 C ATOM 320 OE1 GLN A 21 17.292 1.142 -2.892 1.00 0.00 O ATOM 321 NE2 GLN A 21 15.324 1.490 -2.012 1.00 0.00 N ATOM 0 H GLN A 21 13.469 5.591 -2.664 1.00 0.00 H new ATOM 0 HA GLN A 21 13.579 3.988 -5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.837 4.654 -4.481 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.513 4.148 -2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.041 1.985 -4.778 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.679 2.603 -4.862 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.399 1.916 -2.066 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.579 0.926 -1.201 1.00 0.00 H new ATOM 330 N TYR A 22 12.270 2.153 -4.081 1.00 0.00 N ATOM 331 CA TYR A 22 11.558 0.983 -3.536 1.00 0.00 C ATOM 332 C TYR A 22 12.376 -0.284 -3.828 1.00 0.00 C ATOM 333 O TYR A 22 12.892 -0.472 -4.933 1.00 0.00 O ATOM 334 CB TYR A 22 10.124 0.843 -4.102 1.00 0.00 C ATOM 335 CG TYR A 22 9.369 2.132 -4.385 1.00 0.00 C ATOM 336 CD1 TYR A 22 9.805 3.016 -5.395 1.00 0.00 C ATOM 337 CD2 TYR A 22 8.250 2.472 -3.599 1.00 0.00 C ATOM 338 CE1 TYR A 22 9.216 4.280 -5.532 1.00 0.00 C ATOM 339 CE2 TYR A 22 7.616 3.716 -3.780 1.00 0.00 C ATOM 340 CZ TYR A 22 8.121 4.636 -4.721 1.00 0.00 C ATOM 341 OH TYR A 22 7.570 5.869 -4.838 1.00 0.00 O ATOM 0 H TYR A 22 12.188 2.214 -5.096 1.00 0.00 H new ATOM 0 HA TYR A 22 11.454 1.124 -2.460 1.00 0.00 H new ATOM 0 HB2 TYR A 22 10.179 0.271 -5.028 1.00 0.00 H new ATOM 0 HB3 TYR A 22 9.537 0.253 -3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 22 10.597 2.717 -6.066 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.879 1.779 -2.858 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.601 4.980 -6.258 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.742 3.966 -3.197 1.00 0.00 H new ATOM 0 HH TYR A 22 6.824 5.955 -4.209 1.00 0.00 H new ATOM 351 N MET A 23 12.498 -1.142 -2.820 1.00 0.00 N ATOM 352 CA MET A 23 13.239 -2.406 -2.832 1.00 0.00 C ATOM 353 C MET A 23 12.325 -3.480 -2.265 1.00 0.00 C ATOM 354 O MET A 23 11.676 -3.232 -1.252 1.00 0.00 O ATOM 355 CB MET A 23 14.510 -2.298 -1.971 1.00 0.00 C ATOM 356 CG MET A 23 15.303 -3.611 -1.902 1.00 0.00 C ATOM 357 SD MET A 23 15.749 -4.330 -3.509 1.00 0.00 S ATOM 358 CE MET A 23 16.388 -5.933 -2.953 1.00 0.00 C ATOM 0 H MET A 23 12.057 -0.966 -1.917 1.00 0.00 H new ATOM 0 HA MET A 23 13.543 -2.651 -3.850 1.00 0.00 H new ATOM 0 HB2 MET A 23 15.150 -1.514 -2.376 1.00 0.00 H new ATOM 0 HB3 MET A 23 14.233 -1.994 -0.962 1.00 0.00 H new ATOM 0 HG2 MET A 23 16.217 -3.436 -1.334 1.00 0.00 H new ATOM 0 HG3 MET A 23 14.717 -4.342 -1.345 1.00 0.00 H new ATOM 0 HE1 MET A 23 16.711 -6.515 -3.816 1.00 0.00 H new ATOM 0 HE2 MET A 23 17.234 -5.775 -2.284 1.00 0.00 H new ATOM 0 HE3 MET A 23 15.603 -6.474 -2.424 1.00 0.00 H new ATOM 368 N LEU A 24 12.273 -4.656 -2.885 1.00 0.00 N ATOM 369 CA LEU A 24 11.337 -5.719 -2.524 1.00 0.00 C ATOM 370 C LEU A 24 12.020 -6.814 -1.716 1.00 0.00 C ATOM 371 O LEU A 24 13.098 -7.300 -2.062 1.00 0.00 O ATOM 372 CB LEU A 24 10.767 -6.326 -3.812 1.00 0.00 C ATOM 373 CG LEU A 24 9.851 -7.546 -3.582 1.00 0.00 C ATOM 374 CD1 LEU A 24 8.565 -7.175 -2.867 1.00 0.00 C ATOM 375 CD2 LEU A 24 9.583 -8.204 -4.921 1.00 0.00 C ATOM 0 H LEU A 24 12.887 -4.901 -3.662 1.00 0.00 H new ATOM 0 HA LEU A 24 10.545 -5.291 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.205 -5.559 -4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.593 -6.622 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 24 10.357 -8.252 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.955 -8.068 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.801 -6.743 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.014 -6.448 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.936 -9.070 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.094 -7.491 -5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.526 -8.525 -5.364 1.00 0.00 H new ATOM 387 N LEU A 25 11.327 -7.221 -0.657 1.00 0.00 N ATOM 388 CA LEU A 25 11.729 -8.246 0.262 1.00 0.00 C ATOM 389 C LEU A 25 10.662 -9.341 0.246 1.00 0.00 C ATOM 390 O LEU A 25 9.482 -9.096 0.508 1.00 0.00 O ATOM 391 CB LEU A 25 11.830 -7.619 1.646 1.00 0.00 C ATOM 392 CG LEU A 25 12.753 -6.413 1.914 1.00 0.00 C ATOM 393 CD1 LEU A 25 14.218 -6.665 1.568 1.00 0.00 C ATOM 394 CD2 LEU A 25 12.412 -5.111 1.190 1.00 0.00 C ATOM 0 H LEU A 25 10.423 -6.814 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 25 12.692 -8.679 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.822 -7.318 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.134 -8.410 2.332 1.00 0.00 H new ATOM 0 HG LEU A 25 12.584 -6.296 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.802 -5.770 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.595 -7.497 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.305 -6.908 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.135 -4.343 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.445 -5.274 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.412 -4.786 1.477 1.00 0.00 H new ATOM 526 N LEU A 35 2.790 -12.612 1.378 1.00 0.00 N ATOM 527 CA LEU A 35 3.221 -11.401 2.062 1.00 0.00 C ATOM 528 C LEU A 35 4.620 -11.008 1.621 1.00 0.00 C ATOM 529 O LEU A 35 5.607 -11.706 1.859 1.00 0.00 O ATOM 530 CB LEU A 35 3.086 -11.663 3.572 1.00 0.00 C ATOM 531 CG LEU A 35 3.365 -10.501 4.545 1.00 0.00 C ATOM 532 CD1 LEU A 35 4.828 -10.058 4.560 1.00 0.00 C ATOM 533 CD2 LEU A 35 2.495 -9.282 4.249 1.00 0.00 C ATOM 0 HA LEU A 35 2.600 -10.542 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.072 -12.016 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.760 -12.480 3.829 1.00 0.00 H new ATOM 0 HG LEU A 35 3.117 -10.904 5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.952 -9.237 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.458 -10.895 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.118 -9.726 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.726 -8.489 4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.693 -8.931 3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.444 -9.555 4.339 1.00 0.00 H new ATOM 545 N PHE A 36 4.662 -9.836 1.006 1.00 0.00 N ATOM 546 CA PHE A 36 5.856 -9.157 0.531 1.00 0.00 C ATOM 547 C PHE A 36 6.079 -7.901 1.377 1.00 0.00 C ATOM 548 O PHE A 36 5.126 -7.284 1.852 1.00 0.00 O ATOM 549 CB PHE A 36 5.691 -8.766 -0.942 1.00 0.00 C ATOM 550 CG PHE A 36 5.192 -9.831 -1.905 1.00 0.00 C ATOM 551 CD1 PHE A 36 3.842 -10.230 -1.861 1.00 0.00 C ATOM 552 CD2 PHE A 36 6.054 -10.411 -2.854 1.00 0.00 C ATOM 553 CE1 PHE A 36 3.368 -11.233 -2.717 1.00 0.00 C ATOM 554 CE2 PHE A 36 5.563 -11.378 -3.753 1.00 0.00 C ATOM 555 CZ PHE A 36 4.218 -11.789 -3.688 1.00 0.00 C ATOM 0 H PHE A 36 3.814 -9.303 0.814 1.00 0.00 H new ATOM 0 HA PHE A 36 6.714 -9.823 0.620 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.003 -7.922 -0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.656 -8.412 -1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.167 -9.759 -1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.092 -10.115 -2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.349 -11.579 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.221 -11.806 -4.495 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.842 -12.527 -4.380 1.00 0.00 H new ATOM 565 N VAL A 37 7.333 -7.508 1.560 1.00 0.00 N ATOM 566 CA VAL A 37 7.733 -6.239 2.184 1.00 0.00 C ATOM 567 C VAL A 37 8.419 -5.363 1.151 1.00 0.00 C ATOM 568 O VAL A 37 9.128 -5.869 0.295 1.00 0.00 O ATOM 569 CB VAL A 37 8.538 -6.433 3.493 1.00 0.00 C ATOM 570 CG1 VAL A 37 8.963 -7.868 3.854 1.00 0.00 C ATOM 571 CG2 VAL A 37 9.614 -5.386 3.801 1.00 0.00 C ATOM 0 H VAL A 37 8.129 -8.076 1.272 1.00 0.00 H new ATOM 0 HA VAL A 37 6.838 -5.712 2.516 1.00 0.00 H new ATOM 0 HB VAL A 37 7.741 -6.218 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.518 -7.858 4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.077 -8.493 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.595 -8.270 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.104 -5.634 4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.352 -5.376 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.152 -4.402 3.881 1.00 0.00 H new ATOM 581 N MET A 38 8.197 -4.053 1.183 1.00 0.00 N ATOM 582 CA MET A 38 9.047 -3.104 0.465 1.00 0.00 C ATOM 583 C MET A 38 9.724 -2.157 1.443 1.00 0.00 C ATOM 584 O MET A 38 9.078 -1.647 2.356 1.00 0.00 O ATOM 585 CB MET A 38 8.294 -2.355 -0.644 1.00 0.00 C ATOM 586 CG MET A 38 8.267 -3.151 -1.960 1.00 0.00 C ATOM 587 SD MET A 38 8.720 -2.298 -3.489 1.00 0.00 S ATOM 588 CE MET A 38 7.812 -3.309 -4.696 1.00 0.00 C ATOM 0 H MET A 38 7.432 -3.621 1.701 1.00 0.00 H new ATOM 0 HA MET A 38 9.822 -3.676 -0.045 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.273 -2.157 -0.319 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.767 -1.388 -0.815 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.935 -4.005 -1.846 1.00 0.00 H new ATOM 0 HG3 MET A 38 7.260 -3.549 -2.087 1.00 0.00 H new ATOM 0 HE1 MET A 38 7.968 -2.908 -5.697 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.175 -4.336 -4.656 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.748 -3.290 -4.459 1.00 0.00 H new ATOM 598 N SER A 39 11.018 -1.919 1.237 1.00 0.00 N ATOM 599 CA SER A 39 11.767 -0.851 1.901 1.00 0.00 C ATOM 600 C SER A 39 11.805 0.303 0.906 1.00 0.00 C ATOM 601 O SER A 39 12.272 0.123 -0.223 1.00 0.00 O ATOM 602 CB SER A 39 13.179 -1.325 2.319 1.00 0.00 C ATOM 603 OG SER A 39 14.227 -0.961 1.441 1.00 0.00 O ATOM 0 H SER A 39 11.586 -2.471 0.594 1.00 0.00 H new ATOM 0 HA SER A 39 11.293 -0.540 2.832 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.400 -0.923 3.308 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.166 -2.411 2.412 1.00 0.00 H new ATOM 0 HG SER A 39 15.078 -1.302 1.788 1.00 0.00 H new ATOM 609 N VAL A 40 11.275 1.465 1.291 1.00 0.00 N ATOM 610 CA VAL A 40 11.269 2.651 0.433 1.00 0.00 C ATOM 611 C VAL A 40 12.084 3.775 1.044 1.00 0.00 C ATOM 612 O VAL A 40 11.898 4.144 2.199 1.00 0.00 O ATOM 613 CB VAL A 40 9.865 3.088 0.006 1.00 0.00 C ATOM 614 CG1 VAL A 40 9.092 3.868 1.051 1.00 0.00 C ATOM 615 CG2 VAL A 40 9.943 3.992 -1.228 1.00 0.00 C ATOM 0 H VAL A 40 10.840 1.610 2.202 1.00 0.00 H new ATOM 0 HA VAL A 40 11.761 2.368 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 40 9.341 2.150 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.111 4.133 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.970 3.257 1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.638 4.777 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.938 4.295 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.535 4.877 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.411 3.448 -2.048 1.00 0.00 H new ATOM 625 N GLU A 41 12.999 4.327 0.264 1.00 0.00 N ATOM 626 CA GLU A 41 14.016 5.256 0.722 1.00 0.00 C ATOM 627 C GLU A 41 13.605 6.656 0.286 1.00 0.00 C ATOM 628 O GLU A 41 13.351 6.886 -0.905 1.00 0.00 O ATOM 629 CB GLU A 41 15.385 4.847 0.166 1.00 0.00 C ATOM 630 CG GLU A 41 16.567 5.304 1.023 1.00 0.00 C ATOM 631 CD GLU A 41 16.798 6.808 0.941 1.00 0.00 C ATOM 632 OE1 GLU A 41 17.563 7.285 0.072 1.00 0.00 O ATOM 633 OE2 GLU A 41 16.208 7.506 1.794 1.00 0.00 O ATOM 0 H GLU A 41 13.055 4.134 -0.736 1.00 0.00 H new ATOM 0 HA GLU A 41 14.103 5.242 1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.417 3.762 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.496 5.259 -0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.390 5.023 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.469 4.783 0.701 1.00 0.00 H new ATOM 640 N VAL A 42 13.492 7.533 1.293 1.00 0.00 N ATOM 641 CA VAL A 42 12.823 8.860 1.170 1.00 0.00 C ATOM 642 C VAL A 42 13.692 10.110 1.429 1.00 0.00 C ATOM 643 O VAL A 42 13.284 11.217 1.068 1.00 0.00 O ATOM 644 CB VAL A 42 11.522 8.882 2.014 1.00 0.00 C ATOM 645 CG1 VAL A 42 11.839 8.948 3.504 1.00 0.00 C ATOM 646 CG2 VAL A 42 10.538 10.015 1.678 1.00 0.00 C ATOM 0 H VAL A 42 13.861 7.352 2.227 1.00 0.00 H new ATOM 0 HA VAL A 42 12.592 8.949 0.108 1.00 0.00 H new ATOM 0 HB VAL A 42 11.026 7.948 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.910 8.962 4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 42 12.426 8.076 3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.408 9.853 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.663 9.940 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 42 11.024 10.978 1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.228 9.931 0.636 1.00 0.00 H new ATOM 656 N ASN A 43 14.866 9.989 2.062 1.00 0.00 N ATOM 657 CA ASN A 43 15.674 11.140 2.538 1.00 0.00 C ATOM 658 C ASN A 43 17.126 10.799 2.973 1.00 0.00 C ATOM 659 O ASN A 43 17.895 11.679 3.363 1.00 0.00 O ATOM 660 CB ASN A 43 14.935 11.776 3.745 1.00 0.00 C ATOM 661 CG ASN A 43 15.110 13.278 3.841 1.00 0.00 C ATOM 662 OD1 ASN A 43 14.222 14.056 3.530 1.00 0.00 O ATOM 663 ND2 ASN A 43 16.260 13.738 4.252 1.00 0.00 N ATOM 0 H ASN A 43 15.293 9.085 2.264 1.00 0.00 H new ATOM 0 HA ASN A 43 15.773 11.815 1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.872 11.547 3.671 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.297 11.317 4.665 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.415 14.744 4.313 1.00 0.00 H new ATOM 0 HD22 ASN A 43 17.004 13.091 4.513 1.00 0.00 H new ATOM 670 N GLY A 44 17.474 9.519 3.008 1.00 0.00 N ATOM 671 CA GLY A 44 18.647 8.936 3.661 1.00 0.00 C ATOM 672 C GLY A 44 18.365 7.676 4.488 1.00 0.00 C ATOM 673 O GLY A 44 19.253 7.172 5.180 1.00 0.00 O ATOM 0 H GLY A 44 16.906 8.807 2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 44 19.387 8.694 2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 44 19.094 9.688 4.312 1.00 0.00 H new ATOM 677 N GLN A 45 17.113 7.225 4.490 1.00 0.00 N ATOM 678 CA GLN A 45 16.561 6.155 5.305 1.00 0.00 C ATOM 679 C GLN A 45 15.474 5.437 4.507 1.00 0.00 C ATOM 680 O GLN A 45 14.632 6.083 3.856 1.00 0.00 O ATOM 681 CB GLN A 45 16.084 6.660 6.686 1.00 0.00 C ATOM 682 CG GLN A 45 14.711 7.306 6.771 1.00 0.00 C ATOM 683 CD GLN A 45 14.708 8.700 6.170 1.00 0.00 C ATOM 684 OE1 GLN A 45 14.610 8.774 4.868 1.00 0.00 O flip ATOM 685 NE2 GLN A 45 14.793 9.720 6.839 1.00 0.00 N flip ATOM 0 H GLN A 45 16.408 7.631 3.874 1.00 0.00 H new ATOM 0 HA GLN A 45 17.343 5.432 5.536 1.00 0.00 H new ATOM 0 HB2 GLN A 45 16.099 5.815 7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 45 16.816 7.381 7.050 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.983 6.684 6.250 1.00 0.00 H new ATOM 0 HG3 GLN A 45 14.397 7.359 7.814 1.00 0.00 H new ATOM 0 HE21 GLN A 45 14.869 9.659 7.854 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.788 10.632 6.382 1.00 0.00 H new ATOM 694 N VAL A 46 15.497 4.110 4.590 1.00 0.00 N ATOM 695 CA VAL A 46 14.481 3.233 4.013 1.00 0.00 C ATOM 696 C VAL A 46 13.468 2.837 5.089 1.00 0.00 C ATOM 697 O VAL A 46 13.802 2.498 6.226 1.00 0.00 O ATOM 698 CB VAL A 46 15.064 1.960 3.388 1.00 0.00 C ATOM 699 CG1 VAL A 46 15.555 2.052 1.957 1.00 0.00 C ATOM 700 CG2 VAL A 46 16.197 1.325 4.212 1.00 0.00 C ATOM 0 H VAL A 46 16.239 3.602 5.071 1.00 0.00 H new ATOM 0 HA VAL A 46 14.002 3.799 3.214 1.00 0.00 H new ATOM 0 HB VAL A 46 14.172 1.333 3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 46 15.941 1.083 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 46 14.730 2.343 1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 46 16.348 2.797 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.557 0.430 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.015 2.038 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 46 15.822 1.057 5.200 1.00 0.00 H new ATOM 710 N PHE A 47 12.207 2.906 4.694 1.00 0.00 N ATOM 711 CA PHE A 47 11.002 2.709 5.484 1.00 0.00 C ATOM 712 C PHE A 47 10.317 1.422 5.014 1.00 0.00 C ATOM 713 O PHE A 47 10.008 1.297 3.832 1.00 0.00 O ATOM 714 CB PHE A 47 10.116 3.933 5.208 1.00 0.00 C ATOM 715 CG PHE A 47 10.369 5.136 6.093 1.00 0.00 C ATOM 716 CD1 PHE A 47 11.317 6.108 5.719 1.00 0.00 C ATOM 717 CD2 PHE A 47 9.598 5.326 7.255 1.00 0.00 C ATOM 718 CE1 PHE A 47 11.423 7.303 6.451 1.00 0.00 C ATOM 719 CE2 PHE A 47 9.736 6.505 8.009 1.00 0.00 C ATOM 720 CZ PHE A 47 10.635 7.504 7.597 1.00 0.00 C ATOM 0 H PHE A 47 11.980 3.121 3.723 1.00 0.00 H new ATOM 0 HA PHE A 47 11.204 2.614 6.551 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.255 4.233 4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.073 3.636 5.318 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.962 5.935 4.870 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.899 4.565 7.568 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.113 8.070 6.131 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.150 6.643 8.906 1.00 0.00 H new ATOM 0 HZ PHE A 47 10.720 8.422 8.159 1.00 0.00 H new ATOM 730 N GLU A 48 10.078 0.459 5.906 1.00 0.00 N ATOM 731 CA GLU A 48 9.622 -0.887 5.524 1.00 0.00 C ATOM 732 C GLU A 48 8.133 -1.093 5.813 1.00 0.00 C ATOM 733 O GLU A 48 7.682 -0.957 6.952 1.00 0.00 O ATOM 734 CB GLU A 48 10.457 -1.968 6.234 1.00 0.00 C ATOM 735 CG GLU A 48 11.779 -2.204 5.500 1.00 0.00 C ATOM 736 CD GLU A 48 12.642 -3.255 6.225 1.00 0.00 C ATOM 737 OE1 GLU A 48 12.470 -4.471 5.971 1.00 0.00 O ATOM 738 OE2 GLU A 48 13.508 -2.871 7.049 1.00 0.00 O ATOM 0 H GLU A 48 10.193 0.585 6.912 1.00 0.00 H new ATOM 0 HA GLU A 48 9.765 -0.979 4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.656 -1.664 7.262 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.891 -2.898 6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.578 -2.536 4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.329 -1.266 5.427 1.00 0.00 H new ATOM 745 N GLY A 49 7.361 -1.451 4.783 1.00 0.00 N ATOM 746 CA GLY A 49 5.947 -1.790 4.884 1.00 0.00 C ATOM 747 C GLY A 49 5.625 -3.092 4.160 1.00 0.00 C ATOM 748 O GLY A 49 6.101 -3.345 3.053 1.00 0.00 O ATOM 0 H GLY A 49 7.718 -1.513 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.669 -1.879 5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.348 -0.982 4.463 1.00 0.00 H new ATOM 752 N SER A 50 4.835 -3.936 4.817 1.00 0.00 N ATOM 753 CA SER A 50 4.447 -5.269 4.354 1.00 0.00 C ATOM 754 C SER A 50 3.003 -5.289 3.850 1.00 0.00 C ATOM 755 O SER A 50 2.113 -4.720 4.486 1.00 0.00 O ATOM 756 CB SER A 50 4.654 -6.282 5.485 1.00 0.00 C ATOM 757 OG SER A 50 3.984 -5.891 6.676 1.00 0.00 O ATOM 0 H SER A 50 4.430 -3.703 5.724 1.00 0.00 H new ATOM 0 HA SER A 50 5.080 -5.544 3.510 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.290 -7.259 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.720 -6.389 5.686 1.00 0.00 H new ATOM 0 HG SER A 50 4.138 -6.562 7.373 1.00 0.00 H new ATOM 763 N GLY A 51 2.771 -5.928 2.701 1.00 0.00 N ATOM 764 CA GLY A 51 1.453 -6.100 2.096 1.00 0.00 C ATOM 765 C GLY A 51 1.208 -7.529 1.586 1.00 0.00 C ATOM 766 O GLY A 51 2.130 -8.143 1.034 1.00 0.00 O ATOM 0 H GLY A 51 3.519 -6.352 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.687 -5.845 2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.346 -5.401 1.267 1.00 0.00 H new ATOM 770 N PRO A 52 -0.023 -8.067 1.726 1.00 0.00 N ATOM 771 CA PRO A 52 -0.447 -9.369 1.182 1.00 0.00 C ATOM 772 C PRO A 52 -0.502 -9.424 -0.368 1.00 0.00 C ATOM 773 O PRO A 52 -1.147 -10.296 -0.957 1.00 0.00 O ATOM 774 CB PRO A 52 -1.803 -9.641 1.844 1.00 0.00 C ATOM 775 CG PRO A 52 -2.388 -8.246 2.018 1.00 0.00 C ATOM 776 CD PRO A 52 -1.152 -7.445 2.412 1.00 0.00 C ATOM 0 HA PRO A 52 0.284 -10.145 1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.438 -10.269 1.219 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.690 -10.153 2.800 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.842 -7.874 1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.158 -8.217 2.789 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.257 -6.400 2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.007 -7.461 3.492 1.00 0.00 H new ATOM 784 N THR A 53 0.160 -8.473 -1.029 1.00 0.00 N ATOM 785 CA THR A 53 0.536 -8.441 -2.443 1.00 0.00 C ATOM 786 C THR A 53 1.648 -7.395 -2.610 1.00 0.00 C ATOM 787 O THR A 53 1.707 -6.414 -1.857 1.00 0.00 O ATOM 788 CB THR A 53 -0.673 -8.123 -3.338 1.00 0.00 C ATOM 789 OG1 THR A 53 -0.299 -8.255 -4.693 1.00 0.00 O ATOM 790 CG2 THR A 53 -1.231 -6.714 -3.140 1.00 0.00 C ATOM 0 H THR A 53 0.474 -7.632 -0.546 1.00 0.00 H new ATOM 0 HA THR A 53 0.897 -9.421 -2.755 1.00 0.00 H new ATOM 0 HB THR A 53 -1.453 -8.830 -3.056 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.026 -8.681 -5.193 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.082 -6.563 -3.805 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.553 -6.592 -2.106 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.457 -5.981 -3.368 1.00 0.00 H new ATOM 798 N LYS A 54 2.523 -7.564 -3.607 1.00 0.00 N ATOM 799 CA LYS A 54 3.700 -6.708 -3.872 1.00 0.00 C ATOM 800 C LYS A 54 3.381 -5.204 -3.986 1.00 0.00 C ATOM 801 O LYS A 54 4.169 -4.363 -3.553 1.00 0.00 O ATOM 802 CB LYS A 54 4.385 -7.280 -5.130 1.00 0.00 C ATOM 803 CG LYS A 54 5.672 -6.561 -5.559 1.00 0.00 C ATOM 804 CD LYS A 54 6.320 -7.174 -6.815 1.00 0.00 C ATOM 805 CE LYS A 54 6.629 -8.674 -6.667 1.00 0.00 C ATOM 806 NZ LYS A 54 7.481 -9.180 -7.777 1.00 0.00 N ATOM 0 H LYS A 54 2.434 -8.326 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 54 4.373 -6.739 -3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.617 -8.330 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.676 -7.246 -5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.448 -5.511 -5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.388 -6.590 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.655 -7.029 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.244 -6.640 -7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.132 -8.848 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.695 -9.236 -6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.665 -10.194 -7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.991 -9.038 -8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.383 -8.662 -7.786 1.00 0.00 H new ATOM 820 N LYS A 55 2.199 -4.863 -4.516 1.00 0.00 N ATOM 821 CA LYS A 55 1.722 -3.477 -4.705 1.00 0.00 C ATOM 822 C LYS A 55 1.178 -2.836 -3.421 1.00 0.00 C ATOM 823 O LYS A 55 1.292 -1.625 -3.250 1.00 0.00 O ATOM 824 CB LYS A 55 0.644 -3.445 -5.802 1.00 0.00 C ATOM 825 CG LYS A 55 1.154 -3.878 -7.194 1.00 0.00 C ATOM 826 CD LYS A 55 0.512 -5.180 -7.715 1.00 0.00 C ATOM 827 CE LYS A 55 1.330 -6.438 -7.387 1.00 0.00 C ATOM 828 NZ LYS A 55 0.485 -7.661 -7.425 1.00 0.00 N ATOM 0 H LYS A 55 1.526 -5.559 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 55 2.588 -2.886 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.179 -4.097 -5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.241 -2.435 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.959 -3.077 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.235 -4.009 -7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.485 -5.282 -7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.388 -5.108 -8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.149 -6.537 -8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.779 -6.335 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.035 -8.451 -7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.177 -7.900 -6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.349 -7.488 -8.022 1.00 0.00 H new ATOM 842 N LYS A 56 0.635 -3.630 -2.489 1.00 0.00 N ATOM 843 CA LYS A 56 0.252 -3.159 -1.150 1.00 0.00 C ATOM 844 C LYS A 56 1.475 -2.983 -0.242 1.00 0.00 C ATOM 845 O LYS A 56 1.483 -2.081 0.587 1.00 0.00 O ATOM 846 CB LYS A 56 -0.820 -4.091 -0.564 1.00 0.00 C ATOM 847 CG LYS A 56 -1.353 -3.573 0.780 1.00 0.00 C ATOM 848 CD LYS A 56 -2.722 -4.178 1.120 1.00 0.00 C ATOM 849 CE LYS A 56 -3.085 -3.958 2.595 1.00 0.00 C ATOM 850 NZ LYS A 56 -3.342 -2.526 2.920 1.00 0.00 N ATOM 0 H LYS A 56 0.448 -4.621 -2.642 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.189 -2.165 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.645 -4.185 -1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.400 -5.088 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.642 -3.814 1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.434 -2.487 0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.487 -3.730 0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.713 -5.246 0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.970 -4.545 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.275 -4.328 3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.582 -2.436 3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.490 -1.965 2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.133 -2.176 2.343 1.00 0.00 H new ATOM 864 N ALA A 57 2.529 -3.777 -0.441 1.00 0.00 N ATOM 865 CA ALA A 57 3.805 -3.627 0.263 1.00 0.00 C ATOM 866 C ALA A 57 4.449 -2.248 0.015 1.00 0.00 C ATOM 867 O ALA A 57 4.619 -1.465 0.953 1.00 0.00 O ATOM 868 CB ALA A 57 4.721 -4.791 -0.137 1.00 0.00 C ATOM 0 H ALA A 57 2.521 -4.552 -1.104 1.00 0.00 H new ATOM 0 HA ALA A 57 3.634 -3.667 1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.677 -4.696 0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.252 -5.735 0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.886 -4.771 -1.214 1.00 0.00 H new ATOM 874 N LYS A 58 4.750 -1.901 -1.250 1.00 0.00 N ATOM 875 CA LYS A 58 5.203 -0.535 -1.600 1.00 0.00 C ATOM 876 C LYS A 58 4.258 0.585 -1.171 1.00 0.00 C ATOM 877 O LYS A 58 4.747 1.575 -0.642 1.00 0.00 O ATOM 878 CB LYS A 58 5.597 -0.371 -3.073 1.00 0.00 C ATOM 879 CG LYS A 58 4.571 -0.884 -4.091 1.00 0.00 C ATOM 880 CD LYS A 58 4.228 0.132 -5.189 1.00 0.00 C ATOM 881 CE LYS A 58 5.487 0.501 -5.995 1.00 0.00 C ATOM 882 NZ LYS A 58 5.184 1.387 -7.152 1.00 0.00 N ATOM 0 H LYS A 58 4.690 -2.539 -2.043 1.00 0.00 H new ATOM 0 HA LYS A 58 6.106 -0.424 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.778 0.686 -3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.540 -0.892 -3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.957 -1.791 -4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.657 -1.159 -3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.472 -0.285 -5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.800 1.029 -4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.202 0.997 -5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.964 -0.411 -6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.919 1.272 -7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.258 1.132 -7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.163 2.377 -6.835 1.00 0.00 H new ATOM 896 N LEU A 59 2.941 0.437 -1.339 1.00 0.00 N ATOM 897 CA LEU A 59 1.948 1.393 -0.823 1.00 0.00 C ATOM 898 C LEU A 59 2.145 1.638 0.681 1.00 0.00 C ATOM 899 O LEU A 59 2.250 2.787 1.094 1.00 0.00 O ATOM 900 CB LEU A 59 0.542 0.849 -1.124 1.00 0.00 C ATOM 901 CG LEU A 59 -0.628 1.528 -0.369 1.00 0.00 C ATOM 902 CD1 LEU A 59 -1.411 2.491 -1.256 1.00 0.00 C ATOM 903 CD2 LEU A 59 -1.581 0.439 0.114 1.00 0.00 C ATOM 0 H LEU A 59 2.528 -0.351 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 59 2.075 2.356 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.360 0.943 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.529 -0.216 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.207 2.100 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.220 2.940 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.745 3.274 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.828 1.947 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.414 0.895 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.962 -0.118 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.050 -0.240 0.781 1.00 0.00 H new ATOM 915 N HIS A 60 2.201 0.575 1.488 1.00 0.00 N ATOM 916 CA HIS A 60 2.399 0.655 2.940 1.00 0.00 C ATOM 917 C HIS A 60 3.671 1.438 3.289 1.00 0.00 C ATOM 918 O HIS A 60 3.639 2.418 4.045 1.00 0.00 O ATOM 919 CB HIS A 60 2.475 -0.778 3.497 1.00 0.00 C ATOM 920 CG HIS A 60 2.406 -0.913 5.000 1.00 0.00 C ATOM 921 ND1 HIS A 60 2.420 -2.103 5.690 1.00 0.00 N ATOM 922 CD2 HIS A 60 2.358 0.088 5.935 1.00 0.00 C ATOM 923 CE1 HIS A 60 2.425 -1.833 7.005 1.00 0.00 C ATOM 924 NE2 HIS A 60 2.417 -0.502 7.205 1.00 0.00 N ATOM 0 H HIS A 60 2.109 -0.382 1.146 1.00 0.00 H new ATOM 0 HA HIS A 60 1.562 1.189 3.390 1.00 0.00 H new ATOM 0 HB2 HIS A 60 1.661 -1.358 3.063 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.406 -1.230 3.155 1.00 0.00 H new ATOM 0 HD1 HIS A 60 2.426 -3.034 5.273 1.00 0.00 H new ATOM 0 HD2 HIS A 60 2.287 1.146 5.729 1.00 0.00 H new ATOM 0 HE1 HIS A 60 2.434 -2.576 7.789 1.00 0.00 H new ATOM 932 N ALA A 61 4.785 0.998 2.694 1.00 0.00 N ATOM 933 CA ALA A 61 6.103 1.584 2.863 1.00 0.00 C ATOM 934 C ALA A 61 6.074 3.078 2.530 1.00 0.00 C ATOM 935 O ALA A 61 6.388 3.893 3.387 1.00 0.00 O ATOM 936 CB ALA A 61 7.068 0.802 1.961 1.00 0.00 C ATOM 0 H ALA A 61 4.785 0.197 2.062 1.00 0.00 H new ATOM 0 HA ALA A 61 6.438 1.513 3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.073 1.213 2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.074 -0.247 2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.743 0.883 0.924 1.00 0.00 H new ATOM 942 N ALA A 62 5.628 3.431 1.324 1.00 0.00 N ATOM 943 CA ALA A 62 5.474 4.789 0.812 1.00 0.00 C ATOM 944 C ALA A 62 4.599 5.682 1.700 1.00 0.00 C ATOM 945 O ALA A 62 5.045 6.746 2.148 1.00 0.00 O ATOM 946 CB ALA A 62 4.916 4.635 -0.605 1.00 0.00 C ATOM 0 H ALA A 62 5.348 2.731 0.637 1.00 0.00 H new ATOM 0 HA ALA A 62 6.433 5.308 0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.776 5.620 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.616 4.060 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.959 4.115 -0.565 1.00 0.00 H new ATOM 952 N GLU A 63 3.373 5.226 1.981 1.00 0.00 N ATOM 953 CA GLU A 63 2.381 5.938 2.782 1.00 0.00 C ATOM 954 C GLU A 63 2.983 6.338 4.119 1.00 0.00 C ATOM 955 O GLU A 63 3.159 7.534 4.371 1.00 0.00 O ATOM 956 CB GLU A 63 1.120 5.066 2.956 1.00 0.00 C ATOM 957 CG GLU A 63 -0.009 5.738 3.756 1.00 0.00 C ATOM 958 CD GLU A 63 0.175 5.716 5.291 1.00 0.00 C ATOM 959 OE1 GLU A 63 0.267 4.630 5.911 1.00 0.00 O ATOM 960 OE2 GLU A 63 0.211 6.800 5.913 1.00 0.00 O ATOM 0 H GLU A 63 3.037 4.323 1.645 1.00 0.00 H new ATOM 0 HA GLU A 63 2.082 6.852 2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.740 4.796 1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.400 4.138 3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.097 6.775 3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.950 5.246 3.511 1.00 0.00 H new ATOM 967 N LYS A 64 3.350 5.352 4.951 1.00 0.00 N ATOM 968 CA LYS A 64 4.023 5.628 6.215 1.00 0.00 C ATOM 969 C LYS A 64 5.325 6.400 6.027 1.00 0.00 C ATOM 970 O LYS A 64 5.634 7.194 6.900 1.00 0.00 O ATOM 971 CB LYS A 64 4.183 4.344 7.038 1.00 0.00 C ATOM 972 CG LYS A 64 5.609 4.111 7.573 1.00 0.00 C ATOM 973 CD LYS A 64 5.708 2.745 8.248 1.00 0.00 C ATOM 974 CE LYS A 64 5.675 1.642 7.186 1.00 0.00 C ATOM 975 NZ LYS A 64 5.361 0.330 7.810 1.00 0.00 N ATOM 0 H LYS A 64 3.190 4.362 4.766 1.00 0.00 H new ATOM 0 HA LYS A 64 3.386 6.295 6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.492 4.377 7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.894 3.492 6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.326 4.172 6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.870 4.895 8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.630 2.680 8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.883 2.614 8.948 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.928 1.880 6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.638 1.589 6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.046 -0.382 7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.416 0.416 8.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.401 0.037 7.538 1.00 0.00 H new ATOM 989 N ALA A 65 6.101 6.166 4.965 1.00 0.00 N ATOM 990 CA ALA A 65 7.386 6.837 4.780 1.00 0.00 C ATOM 991 C ALA A 65 7.188 8.342 4.832 1.00 0.00 C ATOM 992 O ALA A 65 7.688 8.982 5.760 1.00 0.00 O ATOM 993 CB ALA A 65 8.115 6.411 3.496 1.00 0.00 C ATOM 0 H ALA A 65 5.858 5.514 4.219 1.00 0.00 H new ATOM 0 HA ALA A 65 8.036 6.528 5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.061 6.947 3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.306 5.338 3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.495 6.646 2.631 1.00 0.00 H new ATOM 999 N LEU A 66 6.428 8.906 3.879 1.00 0.00 N ATOM 1000 CA LEU A 66 6.249 10.357 3.899 1.00 0.00 C ATOM 1001 C LEU A 66 5.349 10.843 5.058 1.00 0.00 C ATOM 1002 O LEU A 66 5.652 11.855 5.695 1.00 0.00 O ATOM 1003 CB LEU A 66 5.935 10.868 2.487 1.00 0.00 C ATOM 1004 CG LEU A 66 6.678 12.192 2.206 1.00 0.00 C ATOM 1005 CD1 LEU A 66 6.925 12.391 0.724 1.00 0.00 C ATOM 1006 CD2 LEU A 66 5.903 13.402 2.709 1.00 0.00 C ATOM 0 H LEU A 66 5.953 8.408 3.126 1.00 0.00 H new ATOM 0 HA LEU A 66 7.188 10.845 4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.226 10.119 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.861 11.019 2.380 1.00 0.00 H new ATOM 0 HG LEU A 66 7.625 12.113 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.450 13.333 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.531 11.569 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.972 12.414 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.464 14.310 2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.934 13.445 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.756 13.318 3.786 1.00 0.00 H new ATOM 1018 N ARG A 67 4.297 10.091 5.412 1.00 0.00 N ATOM 1019 CA ARG A 67 3.449 10.385 6.582 1.00 0.00 C ATOM 1020 C ARG A 67 4.244 10.495 7.884 1.00 0.00 C ATOM 1021 O ARG A 67 4.239 11.559 8.487 1.00 0.00 O ATOM 1022 CB ARG A 67 2.330 9.341 6.674 1.00 0.00 C ATOM 1023 CG ARG A 67 1.344 9.575 7.827 1.00 0.00 C ATOM 1024 CD ARG A 67 1.475 8.570 8.973 1.00 0.00 C ATOM 1025 NE ARG A 67 1.136 7.207 8.528 1.00 0.00 N ATOM 1026 CZ ARG A 67 0.979 6.145 9.286 1.00 0.00 C ATOM 1027 NH1 ARG A 67 1.127 6.188 10.582 1.00 0.00 N ATOM 1028 NH2 ARG A 67 0.659 5.010 8.732 1.00 0.00 N ATOM 0 H ARG A 67 4.008 9.260 4.896 1.00 0.00 H new ATOM 0 HA ARG A 67 3.004 11.370 6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.778 9.333 5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.778 8.354 6.789 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.493 10.580 8.221 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.327 9.534 7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.494 8.586 9.360 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.818 8.862 9.793 1.00 0.00 H new ATOM 0 HE ARG A 67 1.010 7.073 7.525 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.373 7.067 11.038 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.997 5.343 11.138 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.533 4.953 7.721 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.534 4.178 9.309 1.00 0.00 H new ATOM 1042 N SER A 68 4.938 9.431 8.292 1.00 0.00 N ATOM 1043 CA SER A 68 5.830 9.382 9.462 1.00 0.00 C ATOM 1044 C SER A 68 6.925 10.459 9.419 1.00 0.00 C ATOM 1045 O SER A 68 7.259 11.066 10.436 1.00 0.00 O ATOM 1046 CB SER A 68 6.454 7.991 9.625 1.00 0.00 C ATOM 1047 OG SER A 68 6.993 7.809 10.926 1.00 0.00 O ATOM 0 H SER A 68 4.895 8.540 7.798 1.00 0.00 H new ATOM 0 HA SER A 68 5.207 9.592 10.331 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.699 7.228 9.433 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.240 7.855 8.882 1.00 0.00 H new ATOM 0 HG SER A 68 7.381 6.912 10.997 1.00 0.00 H new ATOM 1053 N PHE A 69 7.486 10.716 8.232 1.00 0.00 N ATOM 1054 CA PHE A 69 8.434 11.812 7.989 1.00 0.00 C ATOM 1055 C PHE A 69 7.847 13.225 8.247 1.00 0.00 C ATOM 1056 O PHE A 69 8.579 14.103 8.710 1.00 0.00 O ATOM 1057 CB PHE A 69 8.955 11.623 6.560 1.00 0.00 C ATOM 1058 CG PHE A 69 9.692 12.775 5.909 1.00 0.00 C ATOM 1059 CD1 PHE A 69 11.034 13.053 6.224 1.00 0.00 C ATOM 1060 CD2 PHE A 69 9.030 13.542 4.932 1.00 0.00 C ATOM 1061 CE1 PHE A 69 11.700 14.103 5.567 1.00 0.00 C ATOM 1062 CE2 PHE A 69 9.695 14.582 4.264 1.00 0.00 C ATOM 1063 CZ PHE A 69 11.034 14.863 4.586 1.00 0.00 C ATOM 0 H PHE A 69 7.292 10.160 7.399 1.00 0.00 H new ATOM 0 HA PHE A 69 9.252 11.762 8.708 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.620 10.759 6.560 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.105 11.371 5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.551 12.463 6.967 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.999 13.328 4.694 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.727 14.328 5.816 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.183 15.161 3.510 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.553 15.663 4.080 1.00 0.00 H new