USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 490 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 10 LYS NZ :NH3+ -120:sc= 0.0138 (180deg=-0.268) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 19 THR OG1 : rot 7:sc= 0.131 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= -0.0145 (180deg=-0.184) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -4:sc= 1.03 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0.07 (180deg=0.0676) USER MOD Single : A 50 MET CE :methyl 168:sc= -1.09 (180deg=-1.38) USER MOD Single : A 53 HIS : no HE2:sc= -4.87! C(o=-4.9!,f=-7.5!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 150:sc= -1.59 USER MOD Single : A 70 ASN : amide:sc= -0.859 X(o=-0.86,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 94 N LYS A 10 0.083 12.738 8.459 1.00 0.00 N ATOM 95 CA LYS A 10 0.672 12.718 7.126 1.00 0.00 C ATOM 96 C LYS A 10 1.703 11.600 7.003 1.00 0.00 C ATOM 97 O LYS A 10 1.460 10.587 6.347 1.00 0.00 O ATOM 98 CB LYS A 10 1.326 14.066 6.815 1.00 0.00 C ATOM 99 CG LYS A 10 0.397 15.252 7.009 1.00 0.00 C ATOM 100 CD LYS A 10 -0.760 15.221 6.025 1.00 0.00 C ATOM 101 CE LYS A 10 -1.924 16.075 6.506 1.00 0.00 C ATOM 102 NZ LYS A 10 -2.773 16.541 5.376 1.00 0.00 N ATOM 0 HA LYS A 10 -0.126 12.533 6.406 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.200 14.192 7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.682 14.059 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.009 15.249 8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.957 16.179 6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.422 15.579 5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.094 14.193 5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.532 15.500 7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.541 16.937 7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.783 17.581 5.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.387 16.180 4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.743 16.188 5.502 1.00 0.00 H new ATOM 116 N LYS A 11 2.853 11.790 7.639 1.00 0.00 N ATOM 117 CA LYS A 11 3.921 10.798 7.604 1.00 0.00 C ATOM 118 C LYS A 11 3.457 9.479 8.214 1.00 0.00 C ATOM 119 O LYS A 11 2.570 9.439 9.066 1.00 0.00 O ATOM 120 CB LYS A 11 5.151 11.314 8.355 1.00 0.00 C ATOM 121 CG LYS A 11 5.682 12.632 7.817 1.00 0.00 C ATOM 122 CD LYS A 11 6.947 13.060 8.541 1.00 0.00 C ATOM 123 CE LYS A 11 8.156 12.267 8.069 1.00 0.00 C ATOM 124 NZ LYS A 11 9.215 12.194 9.113 1.00 0.00 N ATOM 0 H LYS A 11 3.070 12.623 8.186 1.00 0.00 H new ATOM 0 HA LYS A 11 4.187 10.624 6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.899 11.436 9.408 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.940 10.564 8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.887 12.535 6.751 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.920 13.404 7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.121 14.123 8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.817 12.923 9.614 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.845 11.259 7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.564 12.728 7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.021 11.645 8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.531 13.155 9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.834 11.731 9.962 1.00 0.00 H new ATOM 138 N PRO A 12 4.072 8.372 7.770 1.00 0.00 N ATOM 139 CA PRO A 12 3.740 7.031 8.260 1.00 0.00 C ATOM 140 C PRO A 12 4.182 6.816 9.704 1.00 0.00 C ATOM 141 O PRO A 12 5.371 6.728 10.007 1.00 0.00 O ATOM 142 CB PRO A 12 4.517 6.107 7.320 1.00 0.00 C ATOM 143 CG PRO A 12 5.654 6.934 6.830 1.00 0.00 C ATOM 144 CD PRO A 12 5.139 8.345 6.755 1.00 0.00 C ATOM 0 HA PRO A 12 2.665 6.852 8.262 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.870 5.218 7.842 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.892 5.765 6.495 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.506 6.865 7.506 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.994 6.590 5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.922 9.071 6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.756 8.581 5.762 1.00 0.00 H new ATOM 152 N PRO A 13 3.203 6.728 10.616 1.00 0.00 N ATOM 153 CA PRO A 13 3.467 6.520 12.043 1.00 0.00 C ATOM 154 C PRO A 13 4.000 5.122 12.337 1.00 0.00 C ATOM 155 O PRO A 13 4.227 4.330 11.423 1.00 0.00 O ATOM 156 CB PRO A 13 2.094 6.715 12.690 1.00 0.00 C ATOM 157 CG PRO A 13 1.117 6.390 11.613 1.00 0.00 C ATOM 158 CD PRO A 13 1.762 6.823 10.326 1.00 0.00 C ATOM 0 HA PRO A 13 4.231 7.200 12.419 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.966 6.060 13.551 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.966 7.737 13.045 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.893 5.323 11.598 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.173 6.912 11.772 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.476 6.177 9.496 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.473 7.838 10.054 1.00 0.00 H new ATOM 166 N ASN A 14 4.198 4.826 13.617 1.00 0.00 N ATOM 167 CA ASN A 14 4.705 3.523 14.031 1.00 0.00 C ATOM 168 C ASN A 14 3.736 2.412 13.638 1.00 0.00 C ATOM 169 O ASN A 14 2.736 2.178 14.317 1.00 0.00 O ATOM 170 CB ASN A 14 4.939 3.500 15.543 1.00 0.00 C ATOM 171 CG ASN A 14 6.204 4.234 15.943 1.00 0.00 C ATOM 172 OD1 ASN A 14 7.299 3.903 15.488 1.00 0.00 O ATOM 173 ND2 ASN A 14 6.058 5.238 16.800 1.00 0.00 N ATOM 0 H ASN A 14 4.015 5.471 14.386 1.00 0.00 H new ATOM 0 HA ASN A 14 5.653 3.351 13.521 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.085 3.952 16.047 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.999 2.466 15.883 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.873 5.769 17.107 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.131 5.478 17.152 1.00 0.00 H new ATOM 180 N ARG A 15 4.040 1.731 12.538 1.00 0.00 N ATOM 181 CA ARG A 15 3.196 0.645 12.054 1.00 0.00 C ATOM 182 C ARG A 15 4.039 -0.558 11.643 1.00 0.00 C ATOM 183 O ARG A 15 4.681 -0.567 10.592 1.00 0.00 O ATOM 184 CB ARG A 15 2.350 1.117 10.869 1.00 0.00 C ATOM 185 CG ARG A 15 1.008 0.413 10.760 1.00 0.00 C ATOM 186 CD ARG A 15 0.164 0.995 9.637 1.00 0.00 C ATOM 187 NE ARG A 15 -0.663 2.108 10.094 1.00 0.00 N ATOM 188 CZ ARG A 15 -1.738 1.960 10.860 1.00 0.00 C ATOM 189 NH1 ARG A 15 -2.113 0.751 11.254 1.00 0.00 N ATOM 190 NH2 ARG A 15 -2.439 3.022 11.235 1.00 0.00 N ATOM 0 H ARG A 15 4.864 1.912 11.965 1.00 0.00 H new ATOM 0 HA ARG A 15 2.535 0.343 12.867 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.181 2.190 10.958 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.910 0.958 9.947 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.167 -0.651 10.583 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.471 0.503 11.704 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.816 1.335 8.832 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.475 0.215 9.222 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.401 3.052 9.809 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.576 -0.068 10.969 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.939 0.640 11.842 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.153 3.954 10.935 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.264 2.907 11.823 1.00 0.00 H new ATOM 204 N PRO A 16 4.040 -1.598 12.490 1.00 0.00 N ATOM 205 CA PRO A 16 4.800 -2.825 12.237 1.00 0.00 C ATOM 206 C PRO A 16 4.221 -3.639 11.085 1.00 0.00 C ATOM 207 O PRO A 16 3.507 -4.617 11.300 1.00 0.00 O ATOM 208 CB PRO A 16 4.676 -3.597 13.553 1.00 0.00 C ATOM 209 CG PRO A 16 3.414 -3.098 14.167 1.00 0.00 C ATOM 210 CD PRO A 16 3.298 -1.655 13.761 1.00 0.00 C ATOM 0 HA PRO A 16 5.829 -2.614 11.946 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.633 -4.672 13.379 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.532 -3.413 14.202 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.556 -3.672 13.817 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.442 -3.197 15.252 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.258 -1.356 13.633 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.731 -0.991 14.509 1.00 0.00 H new ATOM 218 N GLY A 17 4.533 -3.227 9.860 1.00 0.00 N ATOM 219 CA GLY A 17 4.035 -3.929 8.692 1.00 0.00 C ATOM 220 C GLY A 17 3.862 -3.015 7.495 1.00 0.00 C ATOM 221 O GLY A 17 4.614 -3.104 6.524 1.00 0.00 O ATOM 0 H GLY A 17 5.122 -2.420 9.656 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.724 -4.733 8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.078 -4.393 8.932 1.00 0.00 H new ATOM 225 N ILE A 18 2.868 -2.136 7.563 1.00 0.00 N ATOM 226 CA ILE A 18 2.599 -1.202 6.477 1.00 0.00 C ATOM 227 C ILE A 18 3.569 -0.026 6.509 1.00 0.00 C ATOM 228 O ILE A 18 3.936 0.462 7.579 1.00 0.00 O ATOM 229 CB ILE A 18 1.157 -0.665 6.540 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.175 -1.807 6.810 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.801 0.052 5.246 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.268 -1.359 6.885 1.00 0.00 C ATOM 0 H ILE A 18 2.236 -2.051 8.359 1.00 0.00 H new ATOM 0 HA ILE A 18 2.732 -1.754 5.547 1.00 0.00 H new ATOM 0 HB ILE A 18 1.088 0.050 7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.274 -2.554 6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.445 -2.293 7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.221 0.426 5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.484 0.887 5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.885 -0.643 4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.907 -2.221 7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.382 -0.634 7.691 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.556 -0.899 5.940 1.00 0.00 H new ATOM 244 N THR A 19 3.981 0.427 5.329 1.00 0.00 N ATOM 245 CA THR A 19 4.908 1.546 5.221 1.00 0.00 C ATOM 246 C THR A 19 4.609 2.391 3.988 1.00 0.00 C ATOM 247 O THR A 19 4.889 1.983 2.861 1.00 0.00 O ATOM 248 CB THR A 19 6.369 1.061 5.156 1.00 0.00 C ATOM 249 OG1 THR A 19 6.801 0.629 6.451 1.00 0.00 O ATOM 250 CG2 THR A 19 7.284 2.168 4.654 1.00 0.00 C ATOM 0 H THR A 19 3.687 0.035 4.434 1.00 0.00 H new ATOM 0 HA THR A 19 4.775 2.154 6.116 1.00 0.00 H new ATOM 0 HB THR A 19 6.420 0.224 4.459 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.041 0.639 7.069 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.310 1.803 4.616 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.971 2.474 3.656 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.227 3.021 5.330 1.00 0.00 H new ATOM 258 N PHE A 20 4.040 3.571 4.209 1.00 0.00 N ATOM 259 CA PHE A 20 3.703 4.474 3.115 1.00 0.00 C ATOM 260 C PHE A 20 4.964 5.036 2.465 1.00 0.00 C ATOM 261 O PHE A 20 5.608 5.933 3.010 1.00 0.00 O ATOM 262 CB PHE A 20 2.824 5.619 3.623 1.00 0.00 C ATOM 263 CG PHE A 20 1.790 5.184 4.622 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.004 4.068 4.383 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.605 5.889 5.800 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.052 3.665 5.301 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.655 5.492 6.721 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.122 4.377 6.471 1.00 0.00 C ATOM 0 H PHE A 20 3.803 3.924 5.136 1.00 0.00 H new ATOM 0 HA PHE A 20 3.151 3.906 2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.459 6.380 4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.324 6.086 2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.137 3.507 3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.211 6.760 6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.555 2.794 5.103 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.520 6.052 7.635 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.864 4.063 7.190 1.00 0.00 H new ATOM 278 N GLU A 21 5.310 4.501 1.299 1.00 0.00 N ATOM 279 CA GLU A 21 6.495 4.948 0.575 1.00 0.00 C ATOM 280 C GLU A 21 6.280 4.854 -0.932 1.00 0.00 C ATOM 281 O GLU A 21 5.214 4.445 -1.393 1.00 0.00 O ATOM 282 CB GLU A 21 7.712 4.115 0.981 1.00 0.00 C ATOM 283 CG GLU A 21 7.714 2.714 0.393 1.00 0.00 C ATOM 284 CD GLU A 21 9.094 2.084 0.391 1.00 0.00 C ATOM 285 OE1 GLU A 21 9.897 2.412 1.289 1.00 0.00 O ATOM 286 OE2 GLU A 21 9.369 1.262 -0.508 1.00 0.00 O ATOM 0 H GLU A 21 4.787 3.758 0.835 1.00 0.00 H new ATOM 0 HA GLU A 21 6.675 5.991 0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.618 4.633 0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.747 4.044 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.032 2.084 0.963 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.335 2.752 -0.628 1.00 0.00 H new ATOM 293 N ILE A 22 7.300 5.235 -1.694 1.00 0.00 N ATOM 294 CA ILE A 22 7.223 5.192 -3.149 1.00 0.00 C ATOM 295 C ILE A 22 7.586 3.809 -3.679 1.00 0.00 C ATOM 296 O ILE A 22 8.737 3.384 -3.596 1.00 0.00 O ATOM 297 CB ILE A 22 8.154 6.237 -3.793 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.703 7.651 -3.422 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.181 6.063 -5.304 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.236 7.907 -3.689 1.00 0.00 C ATOM 0 H ILE A 22 8.189 5.577 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 22 6.192 5.421 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 22 9.164 6.086 -3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.907 7.823 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.297 8.372 -3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.843 6.809 -5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.545 5.065 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.175 6.191 -5.703 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.987 8.929 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.029 7.767 -4.750 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.633 7.210 -3.107 1.00 0.00 H new ATOM 312 N GLY A 23 6.595 3.112 -4.226 1.00 0.00 N ATOM 313 CA GLY A 23 6.830 1.784 -4.763 1.00 0.00 C ATOM 314 C GLY A 23 6.507 0.689 -3.766 1.00 0.00 C ATOM 315 O GLY A 23 6.590 -0.496 -4.086 1.00 0.00 O ATOM 0 H GLY A 23 5.634 3.443 -4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.225 1.645 -5.659 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.873 1.698 -5.067 1.00 0.00 H new ATOM 319 N ALA A 24 6.138 1.087 -2.553 1.00 0.00 N ATOM 320 CA ALA A 24 5.801 0.130 -1.505 1.00 0.00 C ATOM 321 C ALA A 24 4.698 -0.819 -1.963 1.00 0.00 C ATOM 322 O ALA A 24 3.713 -0.395 -2.567 1.00 0.00 O ATOM 323 CB ALA A 24 5.379 0.861 -0.239 1.00 0.00 C ATOM 0 H ALA A 24 6.065 2.065 -2.271 1.00 0.00 H new ATOM 0 HA ALA A 24 6.689 -0.464 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.130 0.135 0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.197 1.493 0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.507 1.480 -0.450 1.00 0.00 H new ATOM 329 N ARG A 25 4.871 -2.104 -1.672 1.00 0.00 N ATOM 330 CA ARG A 25 3.891 -3.113 -2.055 1.00 0.00 C ATOM 331 C ARG A 25 3.031 -3.517 -0.861 1.00 0.00 C ATOM 332 O ARG A 25 3.528 -4.085 0.112 1.00 0.00 O ATOM 333 CB ARG A 25 4.594 -4.344 -2.630 1.00 0.00 C ATOM 334 CG ARG A 25 5.489 -4.034 -3.819 1.00 0.00 C ATOM 335 CD ARG A 25 6.614 -5.049 -3.948 1.00 0.00 C ATOM 336 NE ARG A 25 7.655 -4.598 -4.868 1.00 0.00 N ATOM 337 CZ ARG A 25 8.880 -5.112 -4.901 1.00 0.00 C ATOM 338 NH1 ARG A 25 9.215 -6.088 -4.069 1.00 0.00 N ATOM 339 NH2 ARG A 25 9.772 -4.648 -5.767 1.00 0.00 N ATOM 0 H ARG A 25 5.681 -2.471 -1.172 1.00 0.00 H new ATOM 0 HA ARG A 25 3.243 -2.683 -2.818 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.193 -4.809 -1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.842 -5.073 -2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.894 -4.030 -4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.910 -3.035 -3.708 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.052 -5.232 -2.967 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.208 -5.998 -4.297 1.00 0.00 H new ATOM 0 HE ARG A 25 7.429 -3.847 -5.521 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.532 -6.446 -3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.156 -6.481 -4.096 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.518 -3.896 -6.408 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.712 -5.043 -5.792 1.00 0.00 H new ATOM 353 N LEU A 26 1.739 -3.219 -0.942 1.00 0.00 N ATOM 354 CA LEU A 26 0.809 -3.550 0.132 1.00 0.00 C ATOM 355 C LEU A 26 -0.567 -3.900 -0.428 1.00 0.00 C ATOM 356 O LEU A 26 -0.772 -3.899 -1.641 1.00 0.00 O ATOM 357 CB LEU A 26 0.691 -2.380 1.110 1.00 0.00 C ATOM 358 CG LEU A 26 0.499 -0.999 0.485 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.744 -0.582 -0.282 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.719 -0.991 -0.428 1.00 0.00 C ATOM 0 H LEU A 26 1.312 -2.749 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 26 1.198 -4.420 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.148 -2.574 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.590 -2.356 1.726 1.00 0.00 H new ATOM 0 HG LEU A 26 0.333 -0.279 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.588 0.404 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.595 -0.547 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.942 -1.304 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.840 0.001 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.582 -1.723 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.608 -1.245 0.149 1.00 0.00 H new ATOM 372 N GLU A 27 -1.505 -4.197 0.465 1.00 0.00 N ATOM 373 CA GLU A 27 -2.861 -4.547 0.060 1.00 0.00 C ATOM 374 C GLU A 27 -3.812 -3.371 0.264 1.00 0.00 C ATOM 375 O GLU A 27 -3.597 -2.530 1.138 1.00 0.00 O ATOM 376 CB GLU A 27 -3.357 -5.760 0.850 1.00 0.00 C ATOM 377 CG GLU A 27 -2.633 -7.050 0.502 1.00 0.00 C ATOM 378 CD GLU A 27 -3.209 -8.255 1.220 1.00 0.00 C ATOM 379 OE1 GLU A 27 -4.249 -8.775 0.766 1.00 0.00 O ATOM 380 OE2 GLU A 27 -2.620 -8.676 2.237 1.00 0.00 O ATOM 0 H GLU A 27 -1.351 -4.202 1.473 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.841 -4.796 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.238 -5.563 1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.424 -5.891 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.687 -7.213 -0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.578 -6.950 0.757 1.00 0.00 H new ATOM 387 N ALA A 28 -4.862 -3.318 -0.548 1.00 0.00 N ATOM 388 CA ALA A 28 -5.846 -2.246 -0.456 1.00 0.00 C ATOM 389 C ALA A 28 -7.264 -2.805 -0.409 1.00 0.00 C ATOM 390 O ALA A 28 -7.545 -3.860 -0.979 1.00 0.00 O ATOM 391 CB ALA A 28 -5.693 -1.287 -1.627 1.00 0.00 C ATOM 0 H ALA A 28 -5.054 -4.005 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.668 -1.701 0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.434 -0.492 -1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.693 -0.854 -1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.842 -1.827 -2.562 1.00 0.00 H new ATOM 397 N LEU A 29 -8.154 -2.092 0.273 1.00 0.00 N ATOM 398 CA LEU A 29 -9.544 -2.518 0.394 1.00 0.00 C ATOM 399 C LEU A 29 -10.412 -1.850 -0.667 1.00 0.00 C ATOM 400 O LEU A 29 -10.610 -0.635 -0.647 1.00 0.00 O ATOM 401 CB LEU A 29 -10.079 -2.188 1.789 1.00 0.00 C ATOM 402 CG LEU A 29 -11.399 -2.854 2.176 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.153 -4.259 2.705 1.00 0.00 C ATOM 404 CD2 LEU A 29 -12.137 -2.015 3.209 1.00 0.00 C ATOM 0 H LEU A 29 -7.938 -1.217 0.750 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.583 -3.597 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.324 -2.471 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.205 -1.108 1.862 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.022 -2.927 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.104 -4.718 2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.667 -4.858 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.511 -4.209 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.075 -2.504 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.519 -1.910 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.347 -1.029 2.794 1.00 0.00 H new ATOM 416 N ASP A 30 -10.930 -2.653 -1.591 1.00 0.00 N ATOM 417 CA ASP A 30 -11.781 -2.140 -2.659 1.00 0.00 C ATOM 418 C ASP A 30 -13.181 -1.833 -2.137 1.00 0.00 C ATOM 419 O ASP A 30 -13.569 -2.291 -1.063 1.00 0.00 O ATOM 420 CB ASP A 30 -11.860 -3.150 -3.805 1.00 0.00 C ATOM 421 CG ASP A 30 -10.646 -3.092 -4.712 1.00 0.00 C ATOM 422 OD1 ASP A 30 -10.587 -2.183 -5.566 1.00 0.00 O ATOM 423 OD2 ASP A 30 -9.756 -3.956 -4.568 1.00 0.00 O ATOM 0 H ASP A 30 -10.776 -3.661 -1.622 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.340 -1.215 -3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.955 -4.155 -3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.758 -2.959 -4.392 1.00 0.00 H new ATOM 428 N TYR A 31 -13.934 -1.053 -2.905 1.00 0.00 N ATOM 429 CA TYR A 31 -15.290 -0.681 -2.519 1.00 0.00 C ATOM 430 C TYR A 31 -16.107 -1.913 -2.143 1.00 0.00 C ATOM 431 O TYR A 31 -17.006 -1.844 -1.304 1.00 0.00 O ATOM 432 CB TYR A 31 -15.979 0.072 -3.659 1.00 0.00 C ATOM 433 CG TYR A 31 -17.462 -0.204 -3.758 1.00 0.00 C ATOM 434 CD1 TYR A 31 -17.932 -1.438 -4.189 1.00 0.00 C ATOM 435 CD2 TYR A 31 -18.394 0.770 -3.421 1.00 0.00 C ATOM 436 CE1 TYR A 31 -19.286 -1.694 -4.282 1.00 0.00 C ATOM 437 CE2 TYR A 31 -19.750 0.522 -3.509 1.00 0.00 C ATOM 438 CZ TYR A 31 -20.191 -0.711 -3.940 1.00 0.00 C ATOM 439 OH TYR A 31 -21.541 -0.962 -4.030 1.00 0.00 O ATOM 0 H TYR A 31 -13.628 -0.666 -3.798 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.226 -0.029 -1.648 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -15.826 1.142 -3.521 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.504 -0.199 -4.602 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -17.226 -2.211 -4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -18.052 1.738 -3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -19.634 -2.659 -4.621 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -20.461 1.290 -3.242 1.00 0.00 H new ATOM 0 HH TYR A 31 -22.041 -0.166 -3.752 1.00 0.00 H new ATOM 449 N LEU A 32 -15.787 -3.041 -2.768 1.00 0.00 N ATOM 450 CA LEU A 32 -16.489 -4.291 -2.499 1.00 0.00 C ATOM 451 C LEU A 32 -15.976 -4.939 -1.218 1.00 0.00 C ATOM 452 O LEU A 32 -16.255 -6.107 -0.948 1.00 0.00 O ATOM 453 CB LEU A 32 -16.323 -5.255 -3.675 1.00 0.00 C ATOM 454 CG LEU A 32 -17.341 -5.116 -4.807 1.00 0.00 C ATOM 455 CD1 LEU A 32 -16.913 -5.936 -6.014 1.00 0.00 C ATOM 456 CD2 LEU A 32 -18.724 -5.540 -4.335 1.00 0.00 C ATOM 0 H LEU A 32 -15.046 -3.115 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.547 -4.064 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.325 -5.119 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.372 -6.275 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.385 -4.068 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.650 -5.825 -6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.943 -5.586 -6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.839 -6.986 -5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -19.436 -5.435 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -18.695 -6.580 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -19.033 -4.909 -3.502 1.00 0.00 H new ATOM 468 N GLN A 33 -15.227 -4.173 -0.432 1.00 0.00 N ATOM 469 CA GLN A 33 -14.676 -4.673 0.822 1.00 0.00 C ATOM 470 C GLN A 33 -13.789 -5.889 0.580 1.00 0.00 C ATOM 471 O GLN A 33 -13.714 -6.793 1.413 1.00 0.00 O ATOM 472 CB GLN A 33 -15.804 -5.034 1.791 1.00 0.00 C ATOM 473 CG GLN A 33 -16.719 -3.866 2.121 1.00 0.00 C ATOM 474 CD GLN A 33 -17.412 -4.029 3.460 1.00 0.00 C ATOM 475 OE1 GLN A 33 -17.665 -5.147 3.909 1.00 0.00 O ATOM 476 NE2 GLN A 33 -17.723 -2.911 4.105 1.00 0.00 N ATOM 0 H GLN A 33 -14.988 -3.204 -0.641 1.00 0.00 H new ATOM 0 HA GLN A 33 -14.067 -3.884 1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.398 -5.840 1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.370 -5.417 2.715 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -16.138 -2.944 2.127 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.470 -3.765 1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -17.494 -2.005 3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.191 -2.958 5.010 1.00 0.00 H new ATOM 485 N LYS A 34 -13.117 -5.907 -0.567 1.00 0.00 N ATOM 486 CA LYS A 34 -12.233 -7.011 -0.919 1.00 0.00 C ATOM 487 C LYS A 34 -10.771 -6.587 -0.834 1.00 0.00 C ATOM 488 O LYS A 34 -10.419 -5.464 -1.196 1.00 0.00 O ATOM 489 CB LYS A 34 -12.548 -7.513 -2.331 1.00 0.00 C ATOM 490 CG LYS A 34 -14.000 -7.918 -2.522 1.00 0.00 C ATOM 491 CD LYS A 34 -14.346 -9.154 -1.709 1.00 0.00 C ATOM 492 CE LYS A 34 -13.859 -10.423 -2.391 1.00 0.00 C ATOM 493 NZ LYS A 34 -14.661 -10.743 -3.605 1.00 0.00 N ATOM 0 H LYS A 34 -13.168 -5.168 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.400 -7.818 -0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.300 -6.732 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.909 -8.367 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.650 -7.094 -2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.189 -8.111 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.898 -9.077 -0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.425 -9.207 -1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.811 -10.307 -2.668 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.913 -11.256 -1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.489 -11.730 -3.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.672 -10.613 -3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.383 -10.110 -4.382 1.00 0.00 H new ATOM 507 N TRP A 35 -9.924 -7.491 -0.355 1.00 0.00 N ATOM 508 CA TRP A 35 -8.499 -7.209 -0.224 1.00 0.00 C ATOM 509 C TRP A 35 -7.744 -7.623 -1.482 1.00 0.00 C ATOM 510 O TRP A 35 -8.040 -8.657 -2.083 1.00 0.00 O ATOM 511 CB TRP A 35 -7.924 -7.936 0.993 1.00 0.00 C ATOM 512 CG TRP A 35 -8.447 -7.416 2.297 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.243 -8.081 3.185 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.212 -6.120 2.859 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.517 -7.277 4.265 1.00 0.00 N ATOM 516 CE2 TRP A 35 -8.895 -6.069 4.090 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.489 -4.999 2.444 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -8.876 -4.941 4.905 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.471 -3.880 3.254 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.161 -3.858 4.474 1.00 0.00 C ATOM 0 H TRP A 35 -10.199 -8.425 -0.051 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.378 -6.134 -0.087 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.155 -8.998 0.915 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.838 -7.844 0.983 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.604 -9.091 3.057 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.091 -7.537 5.067 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.953 -5.007 1.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.407 -4.922 5.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.916 -3.008 2.942 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.127 -2.968 5.085 1.00 0.00 H new ATOM 531 N TYR A 36 -6.769 -6.812 -1.876 1.00 0.00 N ATOM 532 CA TYR A 36 -5.974 -7.094 -3.065 1.00 0.00 C ATOM 533 C TYR A 36 -4.638 -6.359 -3.014 1.00 0.00 C ATOM 534 O TYR A 36 -4.484 -5.344 -2.333 1.00 0.00 O ATOM 535 CB TYR A 36 -6.742 -6.692 -4.325 1.00 0.00 C ATOM 536 CG TYR A 36 -7.851 -7.652 -4.691 1.00 0.00 C ATOM 537 CD1 TYR A 36 -7.578 -8.839 -5.359 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.173 -7.372 -4.366 1.00 0.00 C ATOM 539 CE1 TYR A 36 -8.589 -9.718 -5.695 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.190 -8.246 -4.697 1.00 0.00 C ATOM 541 CZ TYR A 36 -9.893 -9.418 -5.362 1.00 0.00 C ATOM 542 OH TYR A 36 -10.903 -10.292 -5.694 1.00 0.00 O ATOM 0 H TYR A 36 -6.510 -5.954 -1.389 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.778 -8.166 -3.094 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.166 -5.698 -4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.044 -6.622 -5.159 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.558 -9.079 -5.620 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.409 -6.455 -3.846 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.359 -10.636 -6.216 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.212 -8.013 -4.437 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.761 -9.932 -5.387 1.00 0.00 H new ATOM 552 N PRO A 37 -3.647 -6.881 -3.752 1.00 0.00 N ATOM 553 CA PRO A 37 -2.307 -6.291 -3.809 1.00 0.00 C ATOM 554 C PRO A 37 -2.290 -4.960 -4.553 1.00 0.00 C ATOM 555 O PRO A 37 -3.072 -4.747 -5.480 1.00 0.00 O ATOM 556 CB PRO A 37 -1.490 -7.339 -4.569 1.00 0.00 C ATOM 557 CG PRO A 37 -2.490 -8.074 -5.393 1.00 0.00 C ATOM 558 CD PRO A 37 -3.760 -8.089 -4.587 1.00 0.00 C ATOM 0 HA PRO A 37 -1.919 -6.066 -2.816 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.729 -6.871 -5.194 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.972 -8.010 -3.884 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.643 -7.581 -6.353 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.151 -9.088 -5.606 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.642 -8.055 -5.226 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.841 -8.991 -3.980 1.00 0.00 H new ATOM 566 N SER A 38 -1.395 -4.068 -4.141 1.00 0.00 N ATOM 567 CA SER A 38 -1.279 -2.757 -4.767 1.00 0.00 C ATOM 568 C SER A 38 0.078 -2.128 -4.465 1.00 0.00 C ATOM 569 O SER A 38 0.865 -2.669 -3.689 1.00 0.00 O ATOM 570 CB SER A 38 -2.400 -1.836 -4.281 1.00 0.00 C ATOM 571 OG SER A 38 -3.656 -2.248 -4.791 1.00 0.00 O ATOM 0 H SER A 38 -0.740 -4.230 -3.376 1.00 0.00 H new ATOM 0 HA SER A 38 -1.367 -2.888 -5.846 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.429 -1.837 -3.191 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.195 -0.812 -4.594 1.00 0.00 H new ATOM 0 HG SER A 38 -3.528 -2.998 -5.409 1.00 0.00 H new ATOM 577 N ARG A 39 0.343 -0.983 -5.085 1.00 0.00 N ATOM 578 CA ARG A 39 1.605 -0.280 -4.884 1.00 0.00 C ATOM 579 C ARG A 39 1.384 1.229 -4.828 1.00 0.00 C ATOM 580 O ARG A 39 0.329 1.726 -5.223 1.00 0.00 O ATOM 581 CB ARG A 39 2.587 -0.622 -6.006 1.00 0.00 C ATOM 582 CG ARG A 39 3.482 -1.810 -5.692 1.00 0.00 C ATOM 583 CD ARG A 39 4.612 -1.938 -6.701 1.00 0.00 C ATOM 584 NE ARG A 39 4.151 -2.485 -7.974 1.00 0.00 N ATOM 585 CZ ARG A 39 4.809 -2.338 -9.118 1.00 0.00 C ATOM 586 NH1 ARG A 39 5.951 -1.665 -9.149 1.00 0.00 N ATOM 587 NH2 ARG A 39 4.325 -2.866 -10.236 1.00 0.00 N ATOM 0 H ARG A 39 -0.299 -0.522 -5.730 1.00 0.00 H new ATOM 0 HA ARG A 39 2.025 -0.603 -3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.026 -0.831 -6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.211 0.248 -6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.898 -1.699 -4.691 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.888 -2.724 -5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.061 -0.959 -6.869 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.392 -2.580 -6.292 1.00 0.00 H new ATOM 0 HE ARG A 39 3.276 -3.009 -7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.327 -1.258 -8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.454 -1.554 -10.029 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.447 -3.385 -10.217 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.831 -2.753 -11.114 1.00 0.00 H new ATOM 601 N ILE A 40 2.385 1.950 -4.335 1.00 0.00 N ATOM 602 CA ILE A 40 2.300 3.401 -4.228 1.00 0.00 C ATOM 603 C ILE A 40 3.115 4.081 -5.324 1.00 0.00 C ATOM 604 O ILE A 40 4.345 4.068 -5.294 1.00 0.00 O ATOM 605 CB ILE A 40 2.794 3.894 -2.856 1.00 0.00 C ATOM 606 CG1 ILE A 40 1.772 3.553 -1.769 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.055 5.393 -2.894 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.362 3.511 -0.377 1.00 0.00 C ATOM 0 H ILE A 40 3.264 1.553 -4.003 1.00 0.00 H new ATOM 0 HA ILE A 40 1.249 3.665 -4.343 1.00 0.00 H new ATOM 0 HB ILE A 40 3.730 3.388 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.969 4.290 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.323 2.585 -1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.404 5.727 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.815 5.611 -3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.133 5.916 -3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.581 3.264 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.145 2.754 -0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.786 4.485 -0.132 1.00 0.00 H new ATOM 620 N GLU A 41 2.419 4.677 -6.287 1.00 0.00 N ATOM 621 CA GLU A 41 3.079 5.364 -7.392 1.00 0.00 C ATOM 622 C GLU A 41 3.639 6.709 -6.939 1.00 0.00 C ATOM 623 O GLU A 41 4.749 7.089 -7.311 1.00 0.00 O ATOM 624 CB GLU A 41 2.100 5.570 -8.550 1.00 0.00 C ATOM 625 CG GLU A 41 1.869 4.320 -9.382 1.00 0.00 C ATOM 626 CD GLU A 41 3.043 3.996 -10.286 1.00 0.00 C ATOM 627 OE1 GLU A 41 3.428 4.868 -11.093 1.00 0.00 O ATOM 628 OE2 GLU A 41 3.575 2.871 -10.187 1.00 0.00 O ATOM 0 H GLU A 41 1.400 4.698 -6.325 1.00 0.00 H new ATOM 0 HA GLU A 41 3.907 4.741 -7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.145 5.912 -8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.477 6.362 -9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.682 3.476 -8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.973 4.452 -9.989 1.00 0.00 H new ATOM 635 N LYS A 42 2.863 7.425 -6.133 1.00 0.00 N ATOM 636 CA LYS A 42 3.279 8.728 -5.627 1.00 0.00 C ATOM 637 C LYS A 42 2.697 8.985 -4.241 1.00 0.00 C ATOM 638 O LYS A 42 1.802 8.269 -3.791 1.00 0.00 O ATOM 639 CB LYS A 42 2.842 9.835 -6.589 1.00 0.00 C ATOM 640 CG LYS A 42 3.689 9.917 -7.847 1.00 0.00 C ATOM 641 CD LYS A 42 2.975 10.681 -8.951 1.00 0.00 C ATOM 642 CE LYS A 42 3.449 10.242 -10.328 1.00 0.00 C ATOM 643 NZ LYS A 42 4.846 10.680 -10.600 1.00 0.00 N ATOM 0 H LYS A 42 1.941 7.125 -5.816 1.00 0.00 H new ATOM 0 HA LYS A 42 4.366 8.730 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.802 9.670 -6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.883 10.793 -6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.636 10.406 -7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.926 8.911 -8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.900 10.523 -8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.151 11.750 -8.828 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.388 9.156 -10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.785 10.653 -11.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.131 10.361 -11.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.900 11.718 -10.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.484 10.267 -9.890 1.00 0.00 H new ATOM 657 N ILE A 43 3.210 10.011 -3.570 1.00 0.00 N ATOM 658 CA ILE A 43 2.739 10.363 -2.236 1.00 0.00 C ATOM 659 C ILE A 43 2.718 11.875 -2.042 1.00 0.00 C ATOM 660 O ILE A 43 3.764 12.522 -2.012 1.00 0.00 O ATOM 661 CB ILE A 43 3.619 9.729 -1.143 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.628 8.205 -1.284 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.124 10.135 0.237 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.656 7.523 -0.409 1.00 0.00 C ATOM 0 H ILE A 43 3.952 10.613 -3.928 1.00 0.00 H new ATOM 0 HA ILE A 43 1.725 9.973 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 43 4.640 10.092 -1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.639 7.820 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.820 7.946 -2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.756 9.679 0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.165 11.220 0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.096 9.797 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.605 6.445 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.652 7.880 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.453 7.752 0.637 1.00 0.00 H new ATOM 676 N ASP A 44 1.519 12.432 -1.910 1.00 0.00 N ATOM 677 CA ASP A 44 1.360 13.868 -1.716 1.00 0.00 C ATOM 678 C ASP A 44 1.318 14.214 -0.231 1.00 0.00 C ATOM 679 O ASP A 44 0.419 13.785 0.492 1.00 0.00 O ATOM 680 CB ASP A 44 0.085 14.360 -2.403 1.00 0.00 C ATOM 681 CG ASP A 44 0.188 15.805 -2.850 1.00 0.00 C ATOM 682 OD1 ASP A 44 1.319 16.265 -3.113 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.862 16.474 -2.938 1.00 0.00 O ATOM 0 H ASP A 44 0.643 11.910 -1.934 1.00 0.00 H new ATOM 0 HA ASP A 44 2.220 14.367 -2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.125 13.730 -3.267 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.757 14.254 -1.719 1.00 0.00 H new ATOM 688 N TYR A 45 2.297 14.992 0.218 1.00 0.00 N ATOM 689 CA TYR A 45 2.374 15.393 1.617 1.00 0.00 C ATOM 690 C TYR A 45 1.721 16.755 1.831 1.00 0.00 C ATOM 691 O TYR A 45 1.343 17.106 2.948 1.00 0.00 O ATOM 692 CB TYR A 45 3.832 15.437 2.078 1.00 0.00 C ATOM 693 CG TYR A 45 4.535 14.101 1.989 1.00 0.00 C ATOM 694 CD1 TYR A 45 4.912 13.572 0.761 1.00 0.00 C ATOM 695 CD2 TYR A 45 4.824 13.368 3.134 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.554 12.352 0.675 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.466 12.148 3.058 1.00 0.00 C ATOM 698 CZ TYR A 45 5.829 11.644 1.826 1.00 0.00 C ATOM 699 OH TYR A 45 6.469 10.428 1.746 1.00 0.00 O ATOM 0 H TYR A 45 3.048 15.357 -0.367 1.00 0.00 H new ATOM 0 HA TYR A 45 1.834 14.654 2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.374 16.164 1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.868 15.789 3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.699 14.124 -0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.541 13.760 4.100 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.839 11.955 -0.288 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.683 11.591 3.958 1.00 0.00 H new ATOM 0 HH TYR A 45 6.588 10.061 2.647 1.00 0.00 H new ATOM 709 N GLU A 46 1.592 17.518 0.750 1.00 0.00 N ATOM 710 CA GLU A 46 0.984 18.842 0.818 1.00 0.00 C ATOM 711 C GLU A 46 -0.517 18.740 1.068 1.00 0.00 C ATOM 712 O GLU A 46 -1.117 19.625 1.677 1.00 0.00 O ATOM 713 CB GLU A 46 1.245 19.615 -0.477 1.00 0.00 C ATOM 714 CG GLU A 46 0.962 21.103 -0.365 1.00 0.00 C ATOM 715 CD GLU A 46 2.169 21.894 0.100 1.00 0.00 C ATOM 716 OE1 GLU A 46 3.304 21.503 -0.246 1.00 0.00 O ATOM 717 OE2 GLU A 46 1.979 22.904 0.810 1.00 0.00 O ATOM 0 H GLU A 46 1.900 17.242 -0.182 1.00 0.00 H new ATOM 0 HA GLU A 46 1.438 19.379 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.285 19.473 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.628 19.195 -1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.636 21.481 -1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.139 21.261 0.332 1.00 0.00 H new ATOM 724 N GLU A 47 -1.118 17.652 0.594 1.00 0.00 N ATOM 725 CA GLU A 47 -2.549 17.435 0.765 1.00 0.00 C ATOM 726 C GLU A 47 -2.814 16.325 1.778 1.00 0.00 C ATOM 727 O GLU A 47 -3.671 16.457 2.650 1.00 0.00 O ATOM 728 CB GLU A 47 -3.198 17.082 -0.575 1.00 0.00 C ATOM 729 CG GLU A 47 -3.417 18.283 -1.480 1.00 0.00 C ATOM 730 CD GLU A 47 -4.131 19.421 -0.777 1.00 0.00 C ATOM 731 OE1 GLU A 47 -5.334 19.269 -0.478 1.00 0.00 O ATOM 732 OE2 GLU A 47 -3.489 20.462 -0.528 1.00 0.00 O ATOM 0 H GLU A 47 -0.636 16.908 0.089 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.988 18.359 1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.571 16.357 -1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.157 16.598 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.454 18.636 -1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.998 17.977 -2.350 1.00 0.00 H new ATOM 739 N GLY A 48 -2.070 15.230 1.656 1.00 0.00 N ATOM 740 CA GLY A 48 -2.238 14.112 2.566 1.00 0.00 C ATOM 741 C GLY A 48 -2.784 12.879 1.874 1.00 0.00 C ATOM 742 O GLY A 48 -3.377 12.010 2.514 1.00 0.00 O ATOM 0 H GLY A 48 -1.353 15.097 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.278 13.873 3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.913 14.401 3.372 1.00 0.00 H new ATOM 746 N LYS A 49 -2.585 12.801 0.563 1.00 0.00 N ATOM 747 CA LYS A 49 -3.061 11.665 -0.218 1.00 0.00 C ATOM 748 C LYS A 49 -1.929 11.056 -1.038 1.00 0.00 C ATOM 749 O LYS A 49 -1.030 11.762 -1.492 1.00 0.00 O ATOM 750 CB LYS A 49 -4.201 12.098 -1.143 1.00 0.00 C ATOM 751 CG LYS A 49 -3.884 13.340 -1.958 1.00 0.00 C ATOM 752 CD LYS A 49 -4.644 13.353 -3.274 1.00 0.00 C ATOM 753 CE LYS A 49 -3.871 14.089 -4.357 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.514 13.945 -5.693 1.00 0.00 N ATOM 0 H LYS A 49 -2.097 13.512 0.018 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.431 10.909 0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.438 11.279 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.093 12.284 -0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.138 14.229 -1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.813 13.383 -2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.836 12.329 -3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.614 13.829 -3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.802 15.146 -4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.852 13.704 -4.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.996 14.516 -6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.496 12.946 -5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.500 14.273 -5.641 1.00 0.00 H new ATOM 768 N MET A 50 -1.981 9.741 -1.225 1.00 0.00 N ATOM 769 CA MET A 50 -0.960 9.038 -1.993 1.00 0.00 C ATOM 770 C MET A 50 -1.579 8.320 -3.189 1.00 0.00 C ATOM 771 O MET A 50 -2.720 7.862 -3.129 1.00 0.00 O ATOM 772 CB MET A 50 -0.225 8.033 -1.105 1.00 0.00 C ATOM 773 CG MET A 50 -1.093 7.444 -0.005 1.00 0.00 C ATOM 774 SD MET A 50 -0.338 6.009 0.783 1.00 0.00 S ATOM 775 CE MET A 50 -1.633 4.789 0.577 1.00 0.00 C ATOM 0 H MET A 50 -2.719 9.141 -0.855 1.00 0.00 H new ATOM 0 HA MET A 50 -0.247 9.775 -2.362 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.158 7.224 -1.727 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.637 8.523 -0.653 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.286 8.208 0.748 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.058 7.158 -0.423 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.243 3.800 0.818 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.463 5.023 1.243 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.982 4.800 -0.455 1.00 0.00 H new ATOM 785 N LEU A 51 -0.818 8.226 -4.274 1.00 0.00 N ATOM 786 CA LEU A 51 -1.292 7.564 -5.485 1.00 0.00 C ATOM 787 C LEU A 51 -1.019 6.064 -5.428 1.00 0.00 C ATOM 788 O LEU A 51 0.128 5.627 -5.525 1.00 0.00 O ATOM 789 CB LEU A 51 -0.619 8.170 -6.718 1.00 0.00 C ATOM 790 CG LEU A 51 -1.436 8.142 -8.010 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.568 8.527 -9.198 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.053 6.767 -8.221 1.00 0.00 C ATOM 0 H LEU A 51 0.129 8.599 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.369 7.716 -5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.364 9.206 -6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.318 7.641 -6.893 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.242 8.870 -7.924 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.166 8.502 -10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.174 9.533 -9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.259 7.823 -9.287 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.631 6.765 -9.145 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.262 6.020 -8.286 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.708 6.530 -7.383 1.00 0.00 H new ATOM 804 N VAL A 52 -2.080 5.280 -5.271 1.00 0.00 N ATOM 805 CA VAL A 52 -1.956 3.829 -5.205 1.00 0.00 C ATOM 806 C VAL A 52 -2.596 3.166 -6.419 1.00 0.00 C ATOM 807 O VAL A 52 -3.658 3.586 -6.882 1.00 0.00 O ATOM 808 CB VAL A 52 -2.604 3.268 -3.926 1.00 0.00 C ATOM 809 CG1 VAL A 52 -4.087 3.606 -3.886 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.390 1.764 -3.835 1.00 0.00 C ATOM 0 H VAL A 52 -3.036 5.626 -5.187 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.890 3.603 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.126 3.733 -3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.528 3.201 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.214 4.688 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.583 3.171 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.855 1.385 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.840 1.279 -4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.322 1.549 -3.814 1.00 0.00 H new ATOM 820 N HIS A 53 -1.945 2.127 -6.932 1.00 0.00 N ATOM 821 CA HIS A 53 -2.452 1.404 -8.093 1.00 0.00 C ATOM 822 C HIS A 53 -2.952 0.018 -7.694 1.00 0.00 C ATOM 823 O HIS A 53 -2.402 -0.616 -6.794 1.00 0.00 O ATOM 824 CB HIS A 53 -1.362 1.279 -9.158 1.00 0.00 C ATOM 825 CG HIS A 53 -0.570 0.011 -9.058 1.00 0.00 C ATOM 826 ND1 HIS A 53 -1.113 -1.236 -9.284 1.00 0.00 N ATOM 827 CD2 HIS A 53 0.733 -0.197 -8.756 1.00 0.00 C ATOM 828 CE1 HIS A 53 -0.179 -2.156 -9.124 1.00 0.00 C ATOM 829 NE2 HIS A 53 0.951 -1.552 -8.803 1.00 0.00 N ATOM 0 H HIS A 53 -1.065 1.767 -6.562 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.289 1.968 -8.505 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.822 1.334 -10.145 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.684 2.129 -9.074 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -2.084 -1.419 -9.535 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.465 0.562 -8.522 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.316 -3.221 -9.237 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.314 5.170 -8.434 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.256 5.990 -7.680 1.00 0.00 C ATOM 1007 C GLU A 63 -5.630 6.478 -6.377 1.00 0.00 C ATOM 1008 O GLU A 63 -5.033 5.699 -5.633 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.530 5.197 -7.381 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.529 5.953 -6.521 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.624 5.057 -5.975 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -9.292 3.990 -5.416 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -10.811 5.421 -6.107 1.00 0.00 O ATOM 0 HA GLU A 63 -6.511 6.858 -8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.007 4.924 -8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.260 4.268 -6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.004 6.426 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.979 6.752 -7.110 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.771 7.771 -6.108 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.219 8.364 -4.895 1.00 0.00 C ATOM 1022 C TRP A 64 -6.048 7.979 -3.675 1.00 0.00 C ATOM 1023 O TRP A 64 -7.273 8.108 -3.680 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.161 9.886 -5.028 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.118 10.359 -5.995 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.258 10.501 -7.346 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.776 10.749 -5.686 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.084 10.956 -7.895 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.159 11.117 -6.897 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.036 10.826 -4.503 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -0.838 11.553 -6.958 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.725 11.259 -4.564 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.137 11.618 -5.784 1.00 0.00 C ATOM 0 H TRP A 64 -6.263 8.429 -6.713 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.208 7.979 -4.760 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.136 10.253 -5.348 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.962 10.322 -4.049 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.159 10.287 -7.901 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -2.926 11.144 -8.885 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.481 10.552 -3.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.383 11.830 -7.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.144 11.322 -3.656 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.890 11.953 -5.798 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.375 7.506 -2.632 1.00 0.00 N ATOM 1045 CA ILE A 65 -6.051 7.103 -1.405 1.00 0.00 C ATOM 1046 C ILE A 65 -5.331 7.650 -0.177 1.00 0.00 C ATOM 1047 O ILE A 65 -4.171 7.323 0.073 1.00 0.00 O ATOM 1048 CB ILE A 65 -6.146 5.571 -1.291 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.869 4.991 -2.508 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.861 5.178 -0.007 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -7.002 3.484 -2.472 1.00 0.00 C ATOM 0 H ILE A 65 -4.362 7.392 -2.612 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.058 7.518 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.137 5.161 -1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.863 5.434 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.331 5.278 -3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.920 4.092 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.309 5.564 0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.867 5.597 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.524 3.143 -3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.011 3.032 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.567 3.190 -1.587 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.028 8.482 0.589 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.456 9.074 1.792 1.00 0.00 C ATOM 1065 C TYR A 66 -4.642 8.046 2.571 1.00 0.00 C ATOM 1066 O TYR A 66 -5.161 7.009 2.983 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.563 9.644 2.681 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.231 10.872 2.104 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.478 11.901 1.551 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.614 11.004 2.114 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -7.084 13.025 1.023 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.228 12.124 1.587 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.459 13.131 1.043 1.00 0.00 C ATOM 1074 OH TYR A 66 -9.067 14.249 0.519 1.00 0.00 O ATOM 0 H TYR A 66 -6.990 8.762 0.398 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.791 9.882 1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.317 8.874 2.846 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.143 9.893 3.655 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.401 11.821 1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.219 10.218 2.541 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.484 13.816 0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.304 12.210 1.601 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.039 14.166 0.611 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.362 8.342 2.770 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.475 7.445 3.500 1.00 0.00 C ATOM 1086 C TRP A 67 -2.987 7.205 4.916 1.00 0.00 C ATOM 1087 O TRP A 67 -2.477 6.344 5.633 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.059 8.022 3.548 1.00 0.00 C ATOM 1089 CG TRP A 67 -1.027 9.495 3.825 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -2.090 10.293 4.136 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.126 10.344 3.815 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.668 11.588 4.319 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.312 11.645 4.128 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.486 10.131 3.573 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.561 12.726 4.205 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.352 11.205 3.649 1.00 0.00 C ATOM 1097 CH2 TRP A 67 1.887 12.489 3.963 1.00 0.00 C ATOM 0 H TRP A 67 -2.916 9.196 2.436 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.454 6.490 2.975 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.488 7.502 4.318 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.563 7.827 2.597 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.112 9.956 4.225 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.267 12.378 4.558 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.853 9.145 3.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.205 13.716 4.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.405 11.052 3.463 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.589 13.308 4.015 1.00 0.00 H new ATOM 1108 N ASP A 68 -3.998 7.971 5.312 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.580 7.841 6.643 1.00 0.00 C ATOM 1110 C ASP A 68 -5.991 7.267 6.564 1.00 0.00 C ATOM 1111 O ASP A 68 -6.799 7.451 7.475 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.607 9.198 7.347 1.00 0.00 C ATOM 1113 CG ASP A 68 -4.903 9.076 8.829 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -5.297 7.975 9.267 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -4.739 10.082 9.550 1.00 0.00 O ATOM 0 H ASP A 68 -4.431 8.688 4.730 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.959 7.155 7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.646 9.694 7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.361 9.831 6.880 1.00 0.00 H new ATOM 1120 N SER A 69 -6.282 6.571 5.470 1.00 0.00 N ATOM 1121 CA SER A 69 -7.597 5.974 5.270 1.00 0.00 C ATOM 1122 C SER A 69 -7.764 4.727 6.132 1.00 0.00 C ATOM 1123 O SER A 69 -8.853 4.445 6.631 1.00 0.00 O ATOM 1124 CB SER A 69 -7.802 5.621 3.796 1.00 0.00 C ATOM 1125 OG SER A 69 -9.176 5.646 3.451 1.00 0.00 O ATOM 0 H SER A 69 -5.624 6.407 4.708 1.00 0.00 H new ATOM 0 HA SER A 69 -8.349 6.704 5.569 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.254 6.326 3.171 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.392 4.631 3.596 1.00 0.00 H new ATOM 0 HG SER A 69 -9.272 5.897 2.508 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.677 3.982 6.301 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.701 2.763 7.101 1.00 0.00 C ATOM 1133 C ASN A 70 -7.395 1.632 6.349 1.00 0.00 C ATOM 1134 O ASN A 70 -8.033 0.769 6.953 1.00 0.00 O ATOM 1135 CB ASN A 70 -7.413 3.017 8.432 1.00 0.00 C ATOM 1136 CG ASN A 70 -7.020 4.343 9.054 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -5.875 4.534 9.462 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -7.972 5.266 9.130 1.00 0.00 N ATOM 0 H ASN A 70 -5.768 4.201 5.894 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.671 2.466 7.297 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.491 2.999 8.273 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.179 2.210 9.126 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.767 6.177 9.540 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.908 5.063 8.779 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.265 1.641 5.026 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.879 0.617 4.190 1.00 0.00 C ATOM 1147 C ARG A 71 -6.815 -0.220 3.487 1.00 0.00 C ATOM 1148 O ARG A 71 -7.087 -0.865 2.472 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.804 1.260 3.155 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.699 2.346 3.730 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.274 3.231 2.635 1.00 0.00 C ATOM 1152 NE ARG A 71 -10.992 2.456 1.626 1.00 0.00 N ATOM 1153 CZ ARG A 71 -11.933 2.967 0.839 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.266 4.246 0.944 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -12.541 2.198 -0.055 1.00 0.00 N ATOM 0 H ARG A 71 -6.739 2.347 4.510 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.466 -0.038 4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.199 1.685 2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.428 0.486 2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.512 1.888 4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.129 2.956 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.949 3.963 3.078 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.468 3.788 2.158 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.758 1.469 1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.800 4.840 1.630 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.989 4.636 0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.286 1.214 -0.139 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.263 2.591 -0.659 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.603 -0.207 4.031 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.497 -0.964 3.455 1.00 0.00 C ATOM 1171 C LEU A 72 -3.901 -1.922 4.482 1.00 0.00 C ATOM 1172 O LEU A 72 -3.918 -1.650 5.682 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.416 -0.013 2.939 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.912 1.283 2.298 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.914 2.408 2.526 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.161 1.081 0.810 1.00 0.00 C ATOM 0 H LEU A 72 -5.361 0.320 4.870 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.884 -1.549 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.760 0.244 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.809 -0.547 2.208 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.855 1.561 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.284 3.322 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.786 2.570 3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.955 2.139 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.514 2.014 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.234 0.778 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.914 0.306 0.669 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.371 -3.042 4.001 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.768 -4.039 4.877 1.00 0.00 C ATOM 1190 C ARG A 73 -1.336 -4.345 4.447 1.00 0.00 C ATOM 1191 O ARG A 73 -0.973 -4.219 3.277 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.599 -5.323 4.871 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.099 -5.078 4.877 1.00 0.00 C ATOM 1194 CD ARG A 73 -5.861 -6.298 5.371 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.836 -7.389 4.401 1.00 0.00 N ATOM 1196 CZ ARG A 73 -6.008 -8.665 4.726 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -6.219 -9.009 5.989 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -5.972 -9.601 3.786 1.00 0.00 N ATOM 0 H ARG A 73 -3.347 -3.281 3.010 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.747 -3.633 5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.339 -5.910 3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.334 -5.921 5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.327 -4.223 5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.431 -4.823 3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.428 -6.639 6.311 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.895 -6.021 5.578 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.678 -7.158 3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.250 -8.293 6.714 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.351 -9.990 6.235 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.812 -9.341 2.813 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.104 -10.581 4.037 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.503 -4.757 5.414 1.00 0.00 N ATOM 1213 CA PRO A 74 0.902 -5.090 5.160 1.00 0.00 C ATOM 1214 C PRO A 74 1.056 -6.370 4.346 1.00 0.00 C ATOM 1215 O PRO A 74 1.090 -7.470 4.900 1.00 0.00 O ATOM 1216 CB PRO A 74 1.482 -5.275 6.564 1.00 0.00 C ATOM 1217 CG PRO A 74 0.315 -5.655 7.409 1.00 0.00 C ATOM 1218 CD PRO A 74 -0.868 -4.930 6.830 1.00 0.00 C ATOM 0 HA PRO A 74 1.404 -4.320 4.575 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.249 -6.050 6.577 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.949 -4.358 6.923 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.157 -6.733 7.395 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.477 -5.370 8.449 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.786 -5.507 6.941 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.032 -3.972 7.323 1.00 0.00 H new ATOM 1226 N LEU A 75 1.151 -6.221 3.030 1.00 0.00 N ATOM 1227 CA LEU A 75 1.302 -7.366 2.139 1.00 0.00 C ATOM 1228 C LEU A 75 2.540 -8.179 2.503 1.00 0.00 C ATOM 1229 O LEU A 75 3.606 -7.622 2.764 1.00 0.00 O ATOM 1230 CB LEU A 75 1.396 -6.898 0.685 1.00 0.00 C ATOM 1231 CG LEU A 75 1.582 -7.996 -0.363 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.233 -8.518 -0.834 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.396 -7.478 -1.539 1.00 0.00 C ATOM 0 H LEU A 75 1.126 -5.318 2.556 1.00 0.00 H new ATOM 0 HA LEU A 75 0.424 -8.002 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.489 -6.343 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.229 -6.200 0.602 1.00 0.00 H new ATOM 0 HG LEU A 75 2.128 -8.821 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.385 -9.299 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.315 -8.928 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.339 -7.702 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.518 -8.273 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.878 -6.636 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.376 -7.154 -1.189 1.00 0.00 H new