USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 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) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc=-0.00876 (180deg=-0.149) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 6:sc= 0.588 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+ 161:sc= 0.624 (180deg=0.459) USER MOD Single : A 50 MET CE :methyl 172:sc= -1.29 (180deg=-1.33) USER MOD Single : A 53 HIS : no HD1:sc=-0.00502 X(o=-0.005,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 170:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.51 K(o=-1.5,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 94 N LYS A 10 -0.008 12.787 8.652 1.00 0.00 N ATOM 95 CA LYS A 10 0.619 12.771 7.335 1.00 0.00 C ATOM 96 C LYS A 10 1.618 11.624 7.222 1.00 0.00 C ATOM 97 O LYS A 10 1.350 10.616 6.567 1.00 0.00 O ATOM 98 CB LYS A 10 1.323 14.103 7.066 1.00 0.00 C ATOM 99 CG LYS A 10 0.412 15.311 7.204 1.00 0.00 C ATOM 100 CD LYS A 10 -0.644 15.340 6.112 1.00 0.00 C ATOM 101 CE LYS A 10 -1.886 16.095 6.558 1.00 0.00 C ATOM 102 NZ LYS A 10 -1.658 17.567 6.593 1.00 0.00 N ATOM 0 HA LYS A 10 -0.163 12.623 6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.159 14.208 7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.741 14.087 6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.073 15.293 8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.007 16.223 7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.232 15.810 5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.915 14.320 5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.710 15.871 5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.185 15.750 7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.528 18.046 6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.889 17.783 7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.398 17.901 5.643 1.00 0.00 H new ATOM 116 N LYS A 11 2.770 11.783 7.865 1.00 0.00 N ATOM 117 CA LYS A 11 3.808 10.760 7.839 1.00 0.00 C ATOM 118 C LYS A 11 3.282 9.437 8.386 1.00 0.00 C ATOM 119 O LYS A 11 2.340 9.395 9.177 1.00 0.00 O ATOM 120 CB LYS A 11 5.021 11.215 8.655 1.00 0.00 C ATOM 121 CG LYS A 11 5.770 12.380 8.032 1.00 0.00 C ATOM 122 CD LYS A 11 7.157 12.536 8.634 1.00 0.00 C ATOM 123 CE LYS A 11 7.093 13.103 10.044 1.00 0.00 C ATOM 124 NZ LYS A 11 8.386 13.717 10.454 1.00 0.00 N ATOM 0 H LYS A 11 3.008 12.611 8.411 1.00 0.00 H new ATOM 0 HA LYS A 11 4.110 10.610 6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.691 11.499 9.654 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.705 10.375 8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.854 12.226 6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.203 13.299 8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.658 11.568 8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.756 13.193 8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.302 13.851 10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.830 12.309 10.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.301 14.092 11.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.136 12.997 10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.625 14.491 9.802 1.00 0.00 H new ATOM 138 N PRO A 12 3.904 8.329 7.956 1.00 0.00 N ATOM 139 CA PRO A 12 3.516 6.984 8.391 1.00 0.00 C ATOM 140 C PRO A 12 3.860 6.727 9.854 1.00 0.00 C ATOM 141 O PRO A 12 5.025 6.605 10.231 1.00 0.00 O ATOM 142 CB PRO A 12 4.336 6.066 7.480 1.00 0.00 C ATOM 143 CG PRO A 12 5.518 6.882 7.085 1.00 0.00 C ATOM 144 CD PRO A 12 5.034 8.304 7.012 1.00 0.00 C ATOM 0 HA PRO A 12 2.440 6.827 8.320 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.638 5.158 8.002 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.760 5.756 6.608 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.323 6.781 7.813 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.914 6.555 6.124 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.814 9.009 7.300 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.720 8.570 6.003 1.00 0.00 H new ATOM 152 N PRO A 13 2.822 6.640 10.700 1.00 0.00 N ATOM 153 CA PRO A 13 2.989 6.396 12.135 1.00 0.00 C ATOM 154 C PRO A 13 3.473 4.980 12.430 1.00 0.00 C ATOM 155 O PRO A 13 3.767 4.212 11.515 1.00 0.00 O ATOM 156 CB PRO A 13 1.581 6.607 12.698 1.00 0.00 C ATOM 157 CG PRO A 13 0.670 6.328 11.553 1.00 0.00 C ATOM 158 CD PRO A 13 1.406 6.775 10.319 1.00 0.00 C ATOM 0 HA PRO A 13 3.741 7.051 12.574 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.384 5.935 13.534 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.451 7.624 13.069 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.425 5.267 11.499 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.271 6.867 11.663 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.161 6.154 9.457 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.157 7.802 10.053 1.00 0.00 H new ATOM 166 N ASN A 14 3.551 4.641 13.712 1.00 0.00 N ATOM 167 CA ASN A 14 3.999 3.316 14.127 1.00 0.00 C ATOM 168 C ASN A 14 3.106 2.230 13.535 1.00 0.00 C ATOM 169 O ASN A 14 2.025 1.950 14.054 1.00 0.00 O ATOM 170 CB ASN A 14 4.006 3.211 15.653 1.00 0.00 C ATOM 171 CG ASN A 14 5.044 4.114 16.290 1.00 0.00 C ATOM 172 OD1 ASN A 14 4.890 5.336 16.314 1.00 0.00 O ATOM 173 ND2 ASN A 14 6.110 3.516 16.809 1.00 0.00 N ATOM 0 H ASN A 14 3.310 5.265 14.482 1.00 0.00 H new ATOM 0 HA ASN A 14 5.013 3.170 13.756 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.019 3.469 16.037 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.200 2.178 15.942 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.843 4.072 17.250 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.196 2.501 16.767 1.00 0.00 H new ATOM 180 N ARG A 15 3.565 1.621 12.447 1.00 0.00 N ATOM 181 CA ARG A 15 2.808 0.566 11.784 1.00 0.00 C ATOM 182 C ARG A 15 3.712 -0.609 11.426 1.00 0.00 C ATOM 183 O ARG A 15 4.427 -0.592 10.423 1.00 0.00 O ATOM 184 CB ARG A 15 2.135 1.108 10.522 1.00 0.00 C ATOM 185 CG ARG A 15 0.832 0.406 10.176 1.00 0.00 C ATOM 186 CD ARG A 15 -0.122 1.332 9.438 1.00 0.00 C ATOM 187 NE ARG A 15 -0.568 2.440 10.278 1.00 0.00 N ATOM 188 CZ ARG A 15 -1.515 2.327 11.203 1.00 0.00 C ATOM 189 NH1 ARG A 15 -2.112 1.160 11.406 1.00 0.00 N ATOM 190 NH2 ARG A 15 -1.866 3.381 11.927 1.00 0.00 N ATOM 0 H ARG A 15 4.458 1.840 12.006 1.00 0.00 H new ATOM 0 HA ARG A 15 2.041 0.215 12.475 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.940 2.172 10.653 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.824 1.011 9.683 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.041 -0.468 9.560 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.358 0.046 11.089 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.370 1.726 8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.988 0.764 9.097 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.128 3.351 10.147 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.844 0.347 10.851 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.839 1.076 12.117 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.409 4.280 11.774 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.593 3.293 12.637 1.00 0.00 H new ATOM 204 N PRO A 16 3.683 -1.656 12.265 1.00 0.00 N ATOM 205 CA PRO A 16 4.494 -2.859 12.058 1.00 0.00 C ATOM 206 C PRO A 16 4.020 -3.679 10.863 1.00 0.00 C ATOM 207 O PRO A 16 3.325 -4.682 11.022 1.00 0.00 O ATOM 208 CB PRO A 16 4.299 -3.646 13.357 1.00 0.00 C ATOM 209 CG PRO A 16 2.983 -3.187 13.883 1.00 0.00 C ATOM 210 CD PRO A 16 2.855 -1.744 13.480 1.00 0.00 C ATOM 0 HA PRO A 16 5.535 -2.617 11.842 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.299 -4.720 13.173 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.101 -3.444 14.067 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.169 -3.781 13.469 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.937 -3.295 14.967 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.818 -1.473 13.281 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.215 -1.075 14.261 1.00 0.00 H new ATOM 218 N GLY A 17 4.401 -3.245 9.665 1.00 0.00 N ATOM 219 CA GLY A 17 4.006 -3.951 8.460 1.00 0.00 C ATOM 220 C GLY A 17 3.869 -3.028 7.266 1.00 0.00 C ATOM 221 O GLY A 17 4.606 -3.155 6.288 1.00 0.00 O ATOM 0 H GLY A 17 4.976 -2.417 9.508 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.743 -4.722 8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.057 -4.458 8.634 1.00 0.00 H new ATOM 225 N ILE A 18 2.922 -2.099 7.344 1.00 0.00 N ATOM 226 CA ILE A 18 2.691 -1.152 6.260 1.00 0.00 C ATOM 227 C ILE A 18 3.667 0.018 6.335 1.00 0.00 C ATOM 228 O ILE A 18 4.010 0.487 7.420 1.00 0.00 O ATOM 229 CB ILE A 18 1.251 -0.606 6.287 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.266 -1.724 6.636 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.897 0.020 4.946 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.160 -1.244 6.795 1.00 0.00 C ATOM 0 H ILE A 18 2.303 -1.982 8.146 1.00 0.00 H new ATOM 0 HA ILE A 18 2.848 -1.695 5.328 1.00 0.00 H new ATOM 0 HB ILE A 18 1.184 0.165 7.055 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.300 -2.484 5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.585 -2.203 7.562 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.124 0.401 4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.584 0.840 4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.977 -0.732 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.803 -2.089 7.042 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.208 -0.505 7.595 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.498 -0.791 5.863 1.00 0.00 H new ATOM 244 N THR A 19 4.111 0.486 5.172 1.00 0.00 N ATOM 245 CA THR A 19 5.047 1.601 5.105 1.00 0.00 C ATOM 246 C THR A 19 4.788 2.463 3.874 1.00 0.00 C ATOM 247 O THR A 19 5.106 2.072 2.751 1.00 0.00 O ATOM 248 CB THR A 19 6.506 1.108 5.073 1.00 0.00 C ATOM 249 OG1 THR A 19 6.830 0.458 6.307 1.00 0.00 O ATOM 250 CG2 THR A 19 7.464 2.267 4.839 1.00 0.00 C ATOM 0 H THR A 19 3.837 0.110 4.264 1.00 0.00 H new ATOM 0 HA THR A 19 4.892 2.198 6.003 1.00 0.00 H new ATOM 0 HB THR A 19 6.609 0.400 4.251 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.759 0.146 6.278 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.488 1.894 4.820 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.234 2.743 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.357 2.995 5.643 1.00 0.00 H new ATOM 258 N PHE A 20 4.208 3.639 4.093 1.00 0.00 N ATOM 259 CA PHE A 20 3.905 4.557 3.002 1.00 0.00 C ATOM 260 C PHE A 20 5.186 5.046 2.331 1.00 0.00 C ATOM 261 O PHE A 20 5.891 5.901 2.866 1.00 0.00 O ATOM 262 CB PHE A 20 3.099 5.750 3.519 1.00 0.00 C ATOM 263 CG PHE A 20 1.984 5.363 4.448 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.231 4.225 4.210 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.689 6.137 5.558 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.204 3.867 5.063 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.663 5.784 6.415 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.080 4.646 6.167 1.00 0.00 C ATOM 0 H PHE A 20 3.939 3.978 5.016 1.00 0.00 H new ATOM 0 HA PHE A 20 3.311 4.020 2.263 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.771 6.435 4.036 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.682 6.292 2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.449 3.611 3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.267 7.027 5.757 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.376 2.978 4.866 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.443 6.397 7.277 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.881 4.366 6.835 1.00 0.00 H new ATOM 278 N GLU A 21 5.479 4.496 1.157 1.00 0.00 N ATOM 279 CA GLU A 21 6.675 4.875 0.414 1.00 0.00 C ATOM 280 C GLU A 21 6.425 4.811 -1.090 1.00 0.00 C ATOM 281 O GLU A 21 5.334 4.450 -1.533 1.00 0.00 O ATOM 282 CB GLU A 21 7.845 3.961 0.787 1.00 0.00 C ATOM 283 CG GLU A 21 8.655 4.461 1.971 1.00 0.00 C ATOM 284 CD GLU A 21 10.037 3.841 2.037 1.00 0.00 C ATOM 285 OE1 GLU A 21 10.892 4.205 1.203 1.00 0.00 O ATOM 286 OE2 GLU A 21 10.263 2.990 2.923 1.00 0.00 O ATOM 0 H GLU A 21 4.905 3.787 0.700 1.00 0.00 H new ATOM 0 HA GLU A 21 6.926 5.902 0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.460 2.967 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.504 3.858 -0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.750 5.545 1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.118 4.240 2.893 1.00 0.00 H new ATOM 293 N ILE A 22 7.442 5.164 -1.868 1.00 0.00 N ATOM 294 CA ILE A 22 7.333 5.146 -3.322 1.00 0.00 C ATOM 295 C ILE A 22 7.665 3.767 -3.881 1.00 0.00 C ATOM 296 O ILE A 22 8.815 3.332 -3.845 1.00 0.00 O ATOM 297 CB ILE A 22 8.264 6.189 -3.969 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.816 7.604 -3.599 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.286 6.013 -5.480 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.335 7.840 -3.796 1.00 0.00 C ATOM 0 H ILE A 22 8.351 5.466 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 22 6.300 5.394 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 22 9.275 6.038 -3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.071 7.796 -2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.373 8.322 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.948 6.757 -5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.647 5.014 -5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.279 6.142 -5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.089 8.864 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.077 7.680 -4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.770 7.146 -3.173 1.00 0.00 H new ATOM 312 N GLY A 23 6.649 3.084 -4.401 1.00 0.00 N ATOM 313 CA GLY A 23 6.855 1.762 -4.963 1.00 0.00 C ATOM 314 C GLY A 23 6.531 0.657 -3.978 1.00 0.00 C ATOM 315 O GLY A 23 6.555 -0.523 -4.328 1.00 0.00 O ATOM 0 H GLY A 23 5.688 3.423 -4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.233 1.647 -5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.892 1.665 -5.285 1.00 0.00 H new ATOM 319 N ALA A 24 6.230 1.039 -2.741 1.00 0.00 N ATOM 320 CA ALA A 24 5.900 0.071 -1.702 1.00 0.00 C ATOM 321 C ALA A 24 4.702 -0.782 -2.106 1.00 0.00 C ATOM 322 O ALA A 24 3.708 -0.269 -2.619 1.00 0.00 O ATOM 323 CB ALA A 24 5.623 0.783 -0.386 1.00 0.00 C ATOM 0 H ALA A 24 6.208 2.011 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 24 6.756 -0.591 -1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.378 0.048 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.507 1.343 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.785 1.468 -0.513 1.00 0.00 H new ATOM 329 N ARG A 25 4.805 -2.086 -1.872 1.00 0.00 N ATOM 330 CA ARG A 25 3.730 -3.011 -2.214 1.00 0.00 C ATOM 331 C ARG A 25 2.876 -3.328 -0.990 1.00 0.00 C ATOM 332 O ARG A 25 3.365 -3.883 -0.005 1.00 0.00 O ATOM 333 CB ARG A 25 4.306 -4.303 -2.796 1.00 0.00 C ATOM 334 CG ARG A 25 5.248 -4.076 -3.967 1.00 0.00 C ATOM 335 CD ARG A 25 6.004 -5.345 -4.328 1.00 0.00 C ATOM 336 NE ARG A 25 5.237 -6.202 -5.229 1.00 0.00 N ATOM 337 CZ ARG A 25 5.464 -7.502 -5.376 1.00 0.00 C ATOM 338 NH1 ARG A 25 6.430 -8.093 -4.687 1.00 0.00 N ATOM 339 NH2 ARG A 25 4.723 -8.215 -6.216 1.00 0.00 N ATOM 0 H ARG A 25 5.621 -2.526 -1.447 1.00 0.00 H new ATOM 0 HA ARG A 25 3.098 -2.534 -2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.839 -4.840 -2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.485 -4.943 -3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.680 -3.732 -4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.957 -3.287 -3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.951 -5.081 -4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.242 -5.896 -3.418 1.00 0.00 H new ATOM 0 HE ARG A 25 4.486 -5.779 -5.775 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.002 -7.549 -4.041 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.601 -9.092 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.979 -7.764 -6.749 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.898 -9.214 -6.329 1.00 0.00 H new ATOM 353 N LEU A 26 1.598 -2.972 -1.058 1.00 0.00 N ATOM 354 CA LEU A 26 0.675 -3.219 0.044 1.00 0.00 C ATOM 355 C LEU A 26 -0.711 -3.584 -0.477 1.00 0.00 C ATOM 356 O LEU A 26 -0.961 -3.545 -1.681 1.00 0.00 O ATOM 357 CB LEU A 26 0.585 -1.986 0.945 1.00 0.00 C ATOM 358 CG LEU A 26 0.282 -0.662 0.242 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.486 -0.198 -0.564 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.940 -0.800 -0.653 1.00 0.00 C ATOM 0 H LEU A 26 1.177 -2.511 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 26 1.057 -4.059 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.188 -2.163 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.529 -1.882 1.481 1.00 0.00 H new ATOM 0 HG LEU A 26 0.067 0.090 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.252 0.745 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.338 -0.058 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.732 -0.949 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.140 0.152 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.755 -1.566 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.802 -1.085 -0.050 1.00 0.00 H new ATOM 372 N GLU A 27 -1.608 -3.937 0.438 1.00 0.00 N ATOM 373 CA GLU A 27 -2.969 -4.307 0.070 1.00 0.00 C ATOM 374 C GLU A 27 -3.920 -3.126 0.240 1.00 0.00 C ATOM 375 O GLU A 27 -3.759 -2.312 1.149 1.00 0.00 O ATOM 376 CB GLU A 27 -3.448 -5.488 0.918 1.00 0.00 C ATOM 377 CG GLU A 27 -2.697 -6.780 0.641 1.00 0.00 C ATOM 378 CD GLU A 27 -3.157 -7.922 1.526 1.00 0.00 C ATOM 379 OE1 GLU A 27 -4.355 -8.269 1.473 1.00 0.00 O ATOM 380 OE2 GLU A 27 -2.317 -8.469 2.271 1.00 0.00 O ATOM 0 H GLU A 27 -1.417 -3.974 1.439 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.966 -4.600 -0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.341 -5.234 1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.510 -5.649 0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.832 -7.058 -0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.630 -6.615 0.792 1.00 0.00 H new ATOM 387 N ALA A 28 -4.911 -3.039 -0.641 1.00 0.00 N ATOM 388 CA ALA A 28 -5.888 -1.960 -0.588 1.00 0.00 C ATOM 389 C ALA A 28 -7.309 -2.508 -0.511 1.00 0.00 C ATOM 390 O ALA A 28 -7.646 -3.484 -1.183 1.00 0.00 O ATOM 391 CB ALA A 28 -5.736 -1.050 -1.798 1.00 0.00 C ATOM 0 H ALA A 28 -5.058 -3.704 -1.400 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.702 -1.379 0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.473 -0.248 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.734 -0.622 -1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.893 -1.627 -2.709 1.00 0.00 H new ATOM 397 N LEU A 29 -8.138 -1.877 0.312 1.00 0.00 N ATOM 398 CA LEU A 29 -9.524 -2.302 0.478 1.00 0.00 C ATOM 399 C LEU A 29 -10.418 -1.672 -0.585 1.00 0.00 C ATOM 400 O LEU A 29 -10.526 -0.449 -0.674 1.00 0.00 O ATOM 401 CB LEU A 29 -10.030 -1.929 1.872 1.00 0.00 C ATOM 402 CG LEU A 29 -11.379 -2.523 2.278 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.249 -4.016 2.537 1.00 0.00 C ATOM 404 CD2 LEU A 29 -11.927 -1.812 3.507 1.00 0.00 C ATOM 0 H LEU A 29 -7.875 -1.069 0.876 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.561 -3.385 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.284 -2.241 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.101 -0.843 1.932 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.080 -2.378 1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.219 -4.421 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.902 -4.514 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.532 -4.185 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.888 -2.248 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.227 -1.925 4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.059 -0.753 3.286 1.00 0.00 H new ATOM 416 N ASP A 30 -11.058 -2.515 -1.388 1.00 0.00 N ATOM 417 CA ASP A 30 -11.945 -2.041 -2.444 1.00 0.00 C ATOM 418 C ASP A 30 -13.305 -1.648 -1.874 1.00 0.00 C ATOM 419 O ASP A 30 -13.663 -2.044 -0.765 1.00 0.00 O ATOM 420 CB ASP A 30 -12.120 -3.118 -3.515 1.00 0.00 C ATOM 421 CG ASP A 30 -13.479 -3.056 -4.183 1.00 0.00 C ATOM 422 OD1 ASP A 30 -13.717 -2.104 -4.957 1.00 0.00 O ATOM 423 OD2 ASP A 30 -14.304 -3.959 -3.934 1.00 0.00 O ATOM 0 H ASP A 30 -10.979 -3.530 -1.328 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.491 -1.160 -2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.342 -3.005 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.985 -4.101 -3.063 1.00 0.00 H new ATOM 428 N TYR A 31 -14.057 -0.866 -2.640 1.00 0.00 N ATOM 429 CA TYR A 31 -15.376 -0.416 -2.211 1.00 0.00 C ATOM 430 C TYR A 31 -16.207 -1.584 -1.688 1.00 0.00 C ATOM 431 O TYR A 31 -17.027 -1.422 -0.783 1.00 0.00 O ATOM 432 CB TYR A 31 -16.107 0.267 -3.368 1.00 0.00 C ATOM 433 CG TYR A 31 -15.719 -0.266 -4.728 1.00 0.00 C ATOM 434 CD1 TYR A 31 -14.600 0.220 -5.393 1.00 0.00 C ATOM 435 CD2 TYR A 31 -16.471 -1.256 -5.349 1.00 0.00 C ATOM 436 CE1 TYR A 31 -14.242 -0.264 -6.637 1.00 0.00 C ATOM 437 CE2 TYR A 31 -16.120 -1.747 -6.591 1.00 0.00 C ATOM 438 CZ TYR A 31 -15.004 -1.248 -7.231 1.00 0.00 C ATOM 439 OH TYR A 31 -14.652 -1.733 -8.470 1.00 0.00 O ATOM 0 H TYR A 31 -13.776 -0.530 -3.561 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.241 0.301 -1.402 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -17.181 0.143 -3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.903 1.337 -3.335 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.000 0.989 -4.930 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -17.346 -1.648 -4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.370 0.126 -7.141 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -16.715 -2.517 -7.059 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.292 -2.422 -8.745 1.00 0.00 H new ATOM 449 N LEU A 32 -15.988 -2.761 -2.264 1.00 0.00 N ATOM 450 CA LEU A 32 -16.715 -3.958 -1.858 1.00 0.00 C ATOM 451 C LEU A 32 -16.011 -4.655 -0.698 1.00 0.00 C ATOM 452 O LEU A 32 -16.197 -5.852 -0.476 1.00 0.00 O ATOM 453 CB LEU A 32 -16.853 -4.921 -3.039 1.00 0.00 C ATOM 454 CG LEU A 32 -17.282 -4.297 -4.367 1.00 0.00 C ATOM 455 CD1 LEU A 32 -17.206 -5.322 -5.488 1.00 0.00 C ATOM 456 CD2 LEU A 32 -18.688 -3.725 -4.258 1.00 0.00 C ATOM 0 H LEU A 32 -15.313 -2.912 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.708 -3.655 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.896 -5.421 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.577 -5.691 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.597 -3.482 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.515 -4.860 -6.425 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.182 -5.683 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.867 -6.159 -5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.977 -3.285 -5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -19.386 -4.522 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.710 -2.958 -3.484 1.00 0.00 H new ATOM 468 N GLN A 33 -15.206 -3.898 0.039 1.00 0.00 N ATOM 469 CA GLN A 33 -14.475 -4.444 1.178 1.00 0.00 C ATOM 470 C GLN A 33 -13.615 -5.630 0.755 1.00 0.00 C ATOM 471 O GLN A 33 -13.391 -6.557 1.533 1.00 0.00 O ATOM 472 CB GLN A 33 -15.449 -4.871 2.278 1.00 0.00 C ATOM 473 CG GLN A 33 -16.349 -3.746 2.763 1.00 0.00 C ATOM 474 CD GLN A 33 -17.005 -4.057 4.094 1.00 0.00 C ATOM 475 OE1 GLN A 33 -16.354 -4.036 5.140 1.00 0.00 O ATOM 476 NE2 GLN A 33 -18.300 -4.348 4.063 1.00 0.00 N ATOM 0 H GLN A 33 -15.043 -2.906 -0.131 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.820 -3.664 1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.069 -5.687 1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -14.882 -5.261 3.123 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.763 -2.831 2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.121 -3.556 2.017 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.800 -4.354 3.174 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.795 -4.566 4.928 1.00 0.00 H new ATOM 485 N LYS A 34 -13.136 -5.595 -0.484 1.00 0.00 N ATOM 486 CA LYS A 34 -12.299 -6.666 -1.012 1.00 0.00 C ATOM 487 C LYS A 34 -10.822 -6.302 -0.914 1.00 0.00 C ATOM 488 O LYS A 34 -10.418 -5.202 -1.292 1.00 0.00 O ATOM 489 CB LYS A 34 -12.668 -6.959 -2.468 1.00 0.00 C ATOM 490 CG LYS A 34 -14.143 -7.253 -2.675 1.00 0.00 C ATOM 491 CD LYS A 34 -14.489 -8.678 -2.278 1.00 0.00 C ATOM 492 CE LYS A 34 -15.915 -9.036 -2.668 1.00 0.00 C ATOM 493 NZ LYS A 34 -16.071 -9.157 -4.144 1.00 0.00 N ATOM 0 H LYS A 34 -13.313 -4.836 -1.142 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.475 -7.559 -0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.387 -6.105 -3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.084 -7.810 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.740 -6.556 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.404 -7.092 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.795 -9.369 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.364 -8.797 -1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.196 -9.977 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.597 -8.274 -2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.981 -9.611 -4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.044 -8.211 -4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.296 -9.734 -4.529 1.00 0.00 H new ATOM 507 N TRP A 35 -10.020 -7.230 -0.405 1.00 0.00 N ATOM 508 CA TRP A 35 -8.587 -7.006 -0.259 1.00 0.00 C ATOM 509 C TRP A 35 -7.839 -7.423 -1.520 1.00 0.00 C ATOM 510 O TRP A 35 -8.158 -8.441 -2.135 1.00 0.00 O ATOM 511 CB TRP A 35 -8.049 -7.779 0.947 1.00 0.00 C ATOM 512 CG TRP A 35 -8.646 -7.339 2.249 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.497 -8.052 3.043 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.437 -6.085 2.907 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.831 -7.317 4.155 1.00 0.00 N ATOM 516 CE2 TRP A 35 -9.192 -6.107 4.096 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.684 -4.946 2.609 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -9.216 -5.034 4.983 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.708 -3.882 3.490 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.469 -3.932 4.666 1.00 0.00 C ATOM 0 H TRP A 35 -10.338 -8.145 -0.086 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.426 -5.940 -0.100 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.246 -8.842 0.806 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.967 -7.659 0.993 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.855 -9.048 2.829 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.454 -7.623 4.903 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.094 -4.898 1.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.803 -5.070 5.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.131 -2.997 3.269 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.466 -3.084 5.335 1.00 0.00 H new ATOM 531 N TYR A 36 -6.843 -6.631 -1.902 1.00 0.00 N ATOM 532 CA TYR A 36 -6.052 -6.917 -3.092 1.00 0.00 C ATOM 533 C TYR A 36 -4.705 -6.203 -3.035 1.00 0.00 C ATOM 534 O TYR A 36 -4.546 -5.173 -2.380 1.00 0.00 O ATOM 535 CB TYR A 36 -6.813 -6.495 -4.350 1.00 0.00 C ATOM 536 CG TYR A 36 -8.003 -7.374 -4.661 1.00 0.00 C ATOM 537 CD1 TYR A 36 -7.831 -8.693 -5.063 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.299 -6.886 -4.553 1.00 0.00 C ATOM 539 CE1 TYR A 36 -8.916 -9.499 -5.350 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.390 -7.685 -4.836 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.193 -8.991 -5.234 1.00 0.00 C ATOM 542 OH TYR A 36 -11.276 -9.792 -5.517 1.00 0.00 O ATOM 0 H TYR A 36 -6.565 -5.785 -1.404 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.872 -7.991 -3.128 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.153 -5.466 -4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.130 -6.509 -5.199 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.833 -9.095 -5.153 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.457 -5.864 -4.242 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.765 -10.521 -5.664 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.391 -7.290 -4.746 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.103 -9.283 -5.385 1.00 0.00 H new ATOM 552 N PRO A 37 -3.710 -6.763 -3.740 1.00 0.00 N ATOM 553 CA PRO A 37 -2.358 -6.197 -3.788 1.00 0.00 C ATOM 554 C PRO A 37 -2.305 -4.888 -4.567 1.00 0.00 C ATOM 555 O PRO A 37 -3.037 -4.703 -5.540 1.00 0.00 O ATOM 556 CB PRO A 37 -1.546 -7.279 -4.504 1.00 0.00 C ATOM 557 CG PRO A 37 -2.543 -8.020 -5.326 1.00 0.00 C ATOM 558 CD PRO A 37 -3.828 -7.991 -4.544 1.00 0.00 C ATOM 0 HA PRO A 37 -1.983 -5.951 -2.794 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.766 -6.841 -5.127 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.051 -7.939 -3.792 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.669 -7.552 -6.302 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.218 -9.045 -5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.697 -7.959 -5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.936 -8.875 -3.915 1.00 0.00 H new ATOM 566 N SER A 38 -1.435 -3.981 -4.135 1.00 0.00 N ATOM 567 CA SER A 38 -1.289 -2.687 -4.791 1.00 0.00 C ATOM 568 C SER A 38 0.096 -2.100 -4.533 1.00 0.00 C ATOM 569 O SER A 38 0.882 -2.651 -3.762 1.00 0.00 O ATOM 570 CB SER A 38 -2.366 -1.718 -4.299 1.00 0.00 C ATOM 571 OG SER A 38 -3.653 -2.124 -4.731 1.00 0.00 O ATOM 0 H SER A 38 -0.820 -4.119 -3.333 1.00 0.00 H new ATOM 0 HA SER A 38 -1.407 -2.836 -5.864 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.344 -1.667 -3.210 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.154 -0.715 -4.670 1.00 0.00 H new ATOM 0 HG SER A 38 -3.589 -2.994 -5.177 1.00 0.00 H new ATOM 577 N ARG A 39 0.387 -0.979 -5.184 1.00 0.00 N ATOM 578 CA ARG A 39 1.676 -0.317 -5.027 1.00 0.00 C ATOM 579 C ARG A 39 1.503 1.196 -4.936 1.00 0.00 C ATOM 580 O ARG A 39 0.449 1.732 -5.280 1.00 0.00 O ATOM 581 CB ARG A 39 2.598 -0.666 -6.197 1.00 0.00 C ATOM 582 CG ARG A 39 3.451 -1.900 -5.954 1.00 0.00 C ATOM 583 CD ARG A 39 4.766 -1.828 -6.714 1.00 0.00 C ATOM 584 NE ARG A 39 4.559 -1.682 -8.152 1.00 0.00 N ATOM 585 CZ ARG A 39 5.480 -1.983 -9.061 1.00 0.00 C ATOM 586 NH1 ARG A 39 6.663 -2.446 -8.683 1.00 0.00 N ATOM 587 NH2 ARG A 39 5.217 -1.823 -10.352 1.00 0.00 N ATOM 0 H ARG A 39 -0.253 -0.510 -5.825 1.00 0.00 H new ATOM 0 HA ARG A 39 2.127 -0.670 -4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.994 -0.823 -7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.251 0.183 -6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.651 -2.001 -4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.901 -2.790 -6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.353 -0.987 -6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.346 -2.730 -6.521 1.00 0.00 H new ATOM 0 HE ARG A 39 3.658 -1.330 -8.476 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.868 -2.572 -7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.368 -2.676 -9.383 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.307 -1.469 -10.647 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.925 -2.054 -11.049 1.00 0.00 H new ATOM 601 N ILE A 40 2.544 1.879 -4.470 1.00 0.00 N ATOM 602 CA ILE A 40 2.507 3.329 -4.335 1.00 0.00 C ATOM 603 C ILE A 40 3.325 4.005 -5.430 1.00 0.00 C ATOM 604 O ILE A 40 4.470 3.632 -5.682 1.00 0.00 O ATOM 605 CB ILE A 40 3.037 3.780 -2.961 1.00 0.00 C ATOM 606 CG1 ILE A 40 2.035 3.423 -1.861 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.317 5.275 -2.966 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.613 3.511 -0.466 1.00 0.00 C ATOM 0 H ILE A 40 3.423 1.451 -4.180 1.00 0.00 H new ATOM 0 HA ILE A 40 1.463 3.628 -4.429 1.00 0.00 H new ATOM 0 HB ILE A 40 3.971 3.256 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.176 4.090 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.667 2.411 -2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.691 5.578 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.064 5.503 -3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.397 5.817 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.847 3.245 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.454 2.823 -0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.955 4.529 -0.277 1.00 0.00 H new ATOM 620 N GLU A 41 2.729 5.003 -6.075 1.00 0.00 N ATOM 621 CA GLU A 41 3.404 5.732 -7.143 1.00 0.00 C ATOM 622 C GLU A 41 3.853 7.109 -6.662 1.00 0.00 C ATOM 623 O GLU A 41 4.986 7.525 -6.906 1.00 0.00 O ATOM 624 CB GLU A 41 2.480 5.879 -8.354 1.00 0.00 C ATOM 625 CG GLU A 41 2.488 4.671 -9.275 1.00 0.00 C ATOM 626 CD GLU A 41 3.536 4.776 -10.367 1.00 0.00 C ATOM 627 OE1 GLU A 41 3.722 5.889 -10.904 1.00 0.00 O ATOM 628 OE2 GLU A 41 4.169 3.748 -10.684 1.00 0.00 O ATOM 0 H GLU A 41 1.782 5.325 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 41 4.286 5.163 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.462 6.053 -8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.777 6.761 -8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.671 3.772 -8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.504 4.560 -9.731 1.00 0.00 H new ATOM 635 N LYS A 42 2.957 7.812 -5.978 1.00 0.00 N ATOM 636 CA LYS A 42 3.258 9.141 -5.462 1.00 0.00 C ATOM 637 C LYS A 42 2.689 9.322 -4.058 1.00 0.00 C ATOM 638 O LYS A 42 1.611 8.815 -3.746 1.00 0.00 O ATOM 639 CB LYS A 42 2.692 10.214 -6.395 1.00 0.00 C ATOM 640 CG LYS A 42 3.517 10.422 -7.654 1.00 0.00 C ATOM 641 CD LYS A 42 2.698 11.071 -8.757 1.00 0.00 C ATOM 642 CE LYS A 42 3.391 10.957 -10.106 1.00 0.00 C ATOM 643 NZ LYS A 42 2.442 11.163 -11.235 1.00 0.00 N ATOM 0 H LYS A 42 2.015 7.482 -5.768 1.00 0.00 H new ATOM 0 HA LYS A 42 4.342 9.246 -5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.676 9.939 -6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.627 11.157 -5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.380 11.047 -7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.901 9.463 -8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.717 10.598 -8.809 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.533 12.122 -8.519 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.193 11.693 -10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.854 9.974 -10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.952 11.078 -12.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.691 10.445 -11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.019 12.111 -11.165 1.00 0.00 H new ATOM 657 N ILE A 43 3.418 10.048 -3.218 1.00 0.00 N ATOM 658 CA ILE A 43 2.983 10.297 -1.849 1.00 0.00 C ATOM 659 C ILE A 43 2.875 11.792 -1.570 1.00 0.00 C ATOM 660 O ILE A 43 3.872 12.454 -1.282 1.00 0.00 O ATOM 661 CB ILE A 43 3.947 9.664 -0.828 1.00 0.00 C ATOM 662 CG1 ILE A 43 4.048 8.155 -1.057 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.485 9.961 0.591 1.00 0.00 C ATOM 664 CD1 ILE A 43 5.192 7.506 -0.311 1.00 0.00 C ATOM 0 H ILE A 43 4.312 10.474 -3.461 1.00 0.00 H new ATOM 0 HA ILE A 43 2.000 9.838 -1.742 1.00 0.00 H new ATOM 0 HB ILE A 43 4.937 10.100 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.113 7.686 -0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.166 7.965 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.176 9.507 1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.460 11.039 0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.487 9.549 0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.202 6.436 -0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.134 7.948 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.065 7.665 0.760 1.00 0.00 H new ATOM 676 N ASP A 44 1.658 12.318 -1.657 1.00 0.00 N ATOM 677 CA ASP A 44 1.418 13.735 -1.411 1.00 0.00 C ATOM 678 C ASP A 44 1.323 14.019 0.085 1.00 0.00 C ATOM 679 O ASP A 44 0.415 13.535 0.762 1.00 0.00 O ATOM 680 CB ASP A 44 0.135 14.186 -2.111 1.00 0.00 C ATOM 681 CG ASP A 44 0.388 14.685 -3.520 1.00 0.00 C ATOM 682 OD1 ASP A 44 1.061 13.968 -4.291 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.086 15.791 -3.852 1.00 0.00 O ATOM 0 H ASP A 44 0.822 11.784 -1.896 1.00 0.00 H new ATOM 0 HA ASP A 44 2.260 14.296 -1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.569 13.354 -2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.335 14.978 -1.527 1.00 0.00 H new ATOM 688 N TYR A 45 2.266 14.804 0.594 1.00 0.00 N ATOM 689 CA TYR A 45 2.290 15.149 2.011 1.00 0.00 C ATOM 690 C TYR A 45 1.551 16.459 2.265 1.00 0.00 C ATOM 691 O TYR A 45 1.024 16.685 3.354 1.00 0.00 O ATOM 692 CB TYR A 45 3.733 15.261 2.505 1.00 0.00 C ATOM 693 CG TYR A 45 4.544 14.002 2.296 1.00 0.00 C ATOM 694 CD1 TYR A 45 4.900 13.584 1.019 1.00 0.00 C ATOM 695 CD2 TYR A 45 4.955 13.229 3.376 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.640 12.434 0.824 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.697 12.079 3.190 1.00 0.00 C ATOM 698 CZ TYR A 45 6.036 11.685 1.912 1.00 0.00 C ATOM 699 OH TYR A 45 6.774 10.540 1.722 1.00 0.00 O ATOM 0 H TYR A 45 3.023 15.213 0.047 1.00 0.00 H new ATOM 0 HA TYR A 45 1.785 14.355 2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.222 16.088 1.989 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.727 15.507 3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.593 14.169 0.164 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.689 13.533 4.378 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.907 12.123 -0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.010 11.491 4.040 1.00 0.00 H new ATOM 0 HH TYR A 45 6.972 10.131 2.590 1.00 0.00 H new ATOM 709 N GLU A 46 1.516 17.318 1.252 1.00 0.00 N ATOM 710 CA GLU A 46 0.842 18.606 1.365 1.00 0.00 C ATOM 711 C GLU A 46 -0.671 18.423 1.448 1.00 0.00 C ATOM 712 O GLU A 46 -1.375 19.246 2.032 1.00 0.00 O ATOM 713 CB GLU A 46 1.194 19.498 0.173 1.00 0.00 C ATOM 714 CG GLU A 46 2.487 20.276 0.355 1.00 0.00 C ATOM 715 CD GLU A 46 2.628 21.413 -0.638 1.00 0.00 C ATOM 716 OE1 GLU A 46 2.544 21.150 -1.856 1.00 0.00 O ATOM 717 OE2 GLU A 46 2.824 22.565 -0.197 1.00 0.00 O ATOM 0 H GLU A 46 1.946 17.146 0.344 1.00 0.00 H new ATOM 0 HA GLU A 46 1.184 19.086 2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.275 18.880 -0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.378 20.200 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.526 20.676 1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.333 19.597 0.247 1.00 0.00 H new ATOM 724 N GLU A 47 -1.163 17.337 0.858 1.00 0.00 N ATOM 725 CA GLU A 47 -2.591 17.047 0.864 1.00 0.00 C ATOM 726 C GLU A 47 -2.916 15.933 1.855 1.00 0.00 C ATOM 727 O GLU A 47 -3.942 15.969 2.533 1.00 0.00 O ATOM 728 CB GLU A 47 -3.059 16.650 -0.537 1.00 0.00 C ATOM 729 CG GLU A 47 -3.299 17.835 -1.457 1.00 0.00 C ATOM 730 CD GLU A 47 -4.053 18.960 -0.775 1.00 0.00 C ATOM 731 OE1 GLU A 47 -5.230 18.750 -0.414 1.00 0.00 O ATOM 732 OE2 GLU A 47 -3.468 20.049 -0.604 1.00 0.00 O ATOM 0 H GLU A 47 -0.594 16.645 0.371 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.118 17.950 1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.313 15.996 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.980 16.073 -0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.341 18.211 -1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.860 17.504 -2.331 1.00 0.00 H new ATOM 739 N GLY A 48 -2.033 14.942 1.933 1.00 0.00 N ATOM 740 CA GLY A 48 -2.243 13.830 2.842 1.00 0.00 C ATOM 741 C GLY A 48 -2.769 12.596 2.137 1.00 0.00 C ATOM 742 O GLY A 48 -3.477 11.785 2.734 1.00 0.00 O ATOM 0 H GLY A 48 -1.176 14.889 1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.303 13.588 3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.947 14.128 3.619 1.00 0.00 H new ATOM 746 N LYS A 49 -2.423 12.452 0.862 1.00 0.00 N ATOM 747 CA LYS A 49 -2.865 11.308 0.074 1.00 0.00 C ATOM 748 C LYS A 49 -1.697 10.689 -0.688 1.00 0.00 C ATOM 749 O LYS A 49 -0.565 11.162 -0.598 1.00 0.00 O ATOM 750 CB LYS A 49 -3.960 11.731 -0.907 1.00 0.00 C ATOM 751 CG LYS A 49 -3.565 12.899 -1.794 1.00 0.00 C ATOM 752 CD LYS A 49 -4.371 12.918 -3.083 1.00 0.00 C ATOM 753 CE LYS A 49 -3.668 13.720 -4.167 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.391 13.647 -5.467 1.00 0.00 N ATOM 0 H LYS A 49 -1.838 13.114 0.352 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.267 10.561 0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.221 10.880 -1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.855 11.999 -0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.717 13.834 -1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.503 12.836 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.530 11.897 -3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.355 13.346 -2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.587 14.761 -3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.652 13.346 -4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.088 14.433 -6.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.176 12.743 -5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.415 13.714 -5.299 1.00 0.00 H new ATOM 768 N MET A 50 -1.981 9.630 -1.439 1.00 0.00 N ATOM 769 CA MET A 50 -0.954 8.949 -2.219 1.00 0.00 C ATOM 770 C MET A 50 -1.569 8.225 -3.412 1.00 0.00 C ATOM 771 O MET A 50 -2.667 7.674 -3.319 1.00 0.00 O ATOM 772 CB MET A 50 -0.193 7.954 -1.341 1.00 0.00 C ATOM 773 CG MET A 50 -1.040 7.348 -0.234 1.00 0.00 C ATOM 774 SD MET A 50 -0.255 5.923 0.542 1.00 0.00 S ATOM 775 CE MET A 50 -1.554 4.699 0.396 1.00 0.00 C ATOM 0 H MET A 50 -2.913 9.225 -1.524 1.00 0.00 H new ATOM 0 HA MET A 50 -0.258 9.700 -2.592 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.197 7.153 -1.969 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.665 8.457 -0.896 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.237 8.106 0.524 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.005 7.048 -0.643 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.172 3.725 0.702 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.391 4.978 1.037 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.891 4.648 -0.639 1.00 0.00 H new ATOM 785 N LEU A 51 -0.855 8.229 -4.533 1.00 0.00 N ATOM 786 CA LEU A 51 -1.331 7.573 -5.746 1.00 0.00 C ATOM 787 C LEU A 51 -1.019 6.080 -5.715 1.00 0.00 C ATOM 788 O LEU A 51 0.102 5.663 -6.007 1.00 0.00 O ATOM 789 CB LEU A 51 -0.693 8.213 -6.980 1.00 0.00 C ATOM 790 CG LEU A 51 -1.467 8.064 -8.290 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.596 8.455 -9.473 1.00 0.00 C ATOM 792 CD2 LEU A 51 -1.977 6.639 -8.448 1.00 0.00 C ATOM 0 H LEU A 51 0.055 8.679 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.412 7.699 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.554 9.276 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.299 7.782 -7.116 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.325 8.735 -8.261 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.164 8.342 -10.396 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.281 9.493 -9.365 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.282 7.811 -9.507 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.526 6.551 -9.386 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.133 5.949 -8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.638 6.395 -7.617 1.00 0.00 H new ATOM 804 N VAL A 52 -2.019 5.279 -5.361 1.00 0.00 N ATOM 805 CA VAL A 52 -1.853 3.832 -5.295 1.00 0.00 C ATOM 806 C VAL A 52 -2.486 3.151 -6.504 1.00 0.00 C ATOM 807 O VAL A 52 -3.623 3.446 -6.871 1.00 0.00 O ATOM 808 CB VAL A 52 -2.474 3.254 -4.010 1.00 0.00 C ATOM 809 CG1 VAL A 52 -3.948 3.618 -3.918 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.286 1.745 -3.960 1.00 0.00 C ATOM 0 H VAL A 52 -2.953 5.608 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.781 3.636 -5.291 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.962 3.690 -3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.369 3.201 -3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.055 4.703 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.478 3.212 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.731 1.353 -3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.771 1.289 -4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.222 1.510 -3.975 1.00 0.00 H new ATOM 820 N HIS A 53 -1.741 2.237 -7.118 1.00 0.00 N ATOM 821 CA HIS A 53 -2.230 1.512 -8.285 1.00 0.00 C ATOM 822 C HIS A 53 -2.567 0.068 -7.926 1.00 0.00 C ATOM 823 O HIS A 53 -1.888 -0.554 -7.109 1.00 0.00 O ATOM 824 CB HIS A 53 -1.187 1.541 -9.403 1.00 0.00 C ATOM 825 CG HIS A 53 -1.257 0.358 -10.319 1.00 0.00 C ATOM 826 ND1 HIS A 53 -2.160 0.261 -11.357 1.00 0.00 N ATOM 827 CD2 HIS A 53 -0.529 -0.783 -10.348 1.00 0.00 C ATOM 828 CE1 HIS A 53 -1.984 -0.888 -11.984 1.00 0.00 C ATOM 829 NE2 HIS A 53 -1.000 -1.540 -11.392 1.00 0.00 N ATOM 0 H HIS A 53 -0.797 1.981 -6.827 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.139 2.003 -8.632 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.319 2.451 -9.988 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.192 1.588 -8.960 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.273 -1.048 -9.675 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.549 -1.235 -12.836 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.647 -2.457 -11.666 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.561 4.872 -8.535 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.480 5.684 -7.746 1.00 0.00 C ATOM 1007 C GLU A 63 -5.825 6.140 -6.446 1.00 0.00 C ATOM 1008 O GLU A 63 -5.266 5.332 -5.704 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.756 4.898 -7.439 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.634 5.550 -6.384 1.00 0.00 C ATOM 1011 CD GLU A 63 -10.094 5.165 -6.521 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -10.629 5.256 -7.645 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -10.702 4.773 -5.502 1.00 0.00 O ATOM 0 HA GLU A 63 -6.738 6.567 -8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.331 4.783 -8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.484 3.897 -7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.278 5.265 -5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.539 6.633 -6.457 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.897 7.439 -6.177 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.310 8.002 -4.967 1.00 0.00 C ATOM 1022 C TRP A 64 -6.081 7.556 -3.729 1.00 0.00 C ATOM 1023 O TRP A 64 -7.312 7.567 -3.717 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.292 9.530 -5.048 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.373 10.057 -6.108 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.588 10.052 -7.456 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -3.092 10.665 -5.906 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.519 10.620 -8.105 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.588 11.005 -7.177 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.323 10.956 -4.776 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -1.350 11.620 -7.346 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -1.095 11.567 -4.946 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.618 11.894 -6.223 1.00 0.00 C ATOM 0 H TRP A 64 -6.356 8.121 -6.780 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.286 7.637 -4.886 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.303 9.888 -5.242 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.991 9.935 -4.082 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.469 9.659 -7.941 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.432 10.736 -9.115 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.682 10.708 -3.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.981 11.872 -8.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.492 11.797 -4.080 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.346 12.371 -6.322 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.350 7.164 -2.691 1.00 0.00 N ATOM 1045 CA ILE A 65 -5.967 6.716 -1.449 1.00 0.00 C ATOM 1046 C ILE A 65 -5.277 7.335 -0.238 1.00 0.00 C ATOM 1047 O ILE A 65 -4.082 7.133 -0.021 1.00 0.00 O ATOM 1048 CB ILE A 65 -5.924 5.182 -1.321 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.576 4.528 -2.541 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.617 4.737 -0.042 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.666 3.021 -2.444 1.00 0.00 C ATOM 0 H ILE A 65 -4.330 7.148 -2.686 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.007 7.041 -1.478 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.882 4.866 -1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.579 4.936 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.007 4.793 -3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.578 3.650 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.113 5.179 0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.657 5.062 -0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.139 2.626 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.664 2.602 -2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.260 2.747 -1.572 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.038 8.087 0.549 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.500 8.737 1.738 1.00 0.00 C ATOM 1065 C TYR A 66 -4.652 7.765 2.553 1.00 0.00 C ATOM 1066 O TYR A 66 -5.147 6.747 3.038 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.636 9.288 2.602 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.261 10.548 2.048 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.470 11.585 1.567 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.641 10.703 2.007 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -7.037 12.739 1.061 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.216 11.853 1.501 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.410 12.868 1.029 1.00 0.00 C ATOM 1074 OH TYR A 66 -8.979 14.015 0.526 1.00 0.00 O ATOM 0 H TYR A 66 -7.029 8.262 0.385 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.865 9.562 1.414 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.407 8.524 2.704 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.255 9.491 3.603 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.395 11.487 1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.275 9.911 2.377 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.408 13.536 0.692 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.291 11.957 1.475 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.955 13.944 0.575 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.372 8.086 2.700 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.454 7.243 3.456 1.00 0.00 C ATOM 1086 C TRP A 67 -2.900 7.119 4.909 1.00 0.00 C ATOM 1087 O TRP A 67 -2.348 6.326 5.672 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.035 7.812 3.392 1.00 0.00 C ATOM 1089 CG TRP A 67 -0.960 9.263 3.760 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -2.008 10.092 4.043 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.226 10.055 3.882 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.544 11.352 4.334 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.177 11.356 4.243 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.589 9.793 3.724 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.734 12.388 4.446 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.493 10.818 3.926 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.063 12.103 4.284 1.00 0.00 C ATOM 0 H TRP A 67 -2.946 8.925 2.305 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.460 6.250 3.007 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.392 7.241 4.061 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.643 7.680 2.384 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.048 9.800 4.039 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.124 12.155 4.578 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.930 8.806 3.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.404 13.379 4.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.549 10.626 3.806 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.794 12.883 4.435 1.00 0.00 H new ATOM 1108 N ASP A 68 -3.901 7.907 5.285 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.422 7.885 6.647 1.00 0.00 C ATOM 1110 C ASP A 68 -5.860 7.376 6.670 1.00 0.00 C ATOM 1111 O ASP A 68 -6.609 7.645 7.610 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.352 9.282 7.266 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.007 9.344 8.631 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -4.566 8.604 9.536 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -5.961 10.132 8.795 1.00 0.00 O ATOM 0 H ASP A 68 -4.368 8.569 4.666 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.805 7.205 7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.309 9.586 7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.838 9.996 6.601 1.00 0.00 H new ATOM 1120 N SER A 69 -6.239 6.641 5.630 1.00 0.00 N ATOM 1121 CA SER A 69 -7.589 6.099 5.529 1.00 0.00 C ATOM 1122 C SER A 69 -7.729 4.829 6.363 1.00 0.00 C ATOM 1123 O SER A 69 -8.825 4.475 6.795 1.00 0.00 O ATOM 1124 CB SER A 69 -7.935 5.804 4.068 1.00 0.00 C ATOM 1125 OG SER A 69 -9.324 5.955 3.832 1.00 0.00 O ATOM 0 H SER A 69 -5.631 6.407 4.845 1.00 0.00 H new ATOM 0 HA SER A 69 -8.283 6.845 5.916 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.377 6.476 3.416 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.629 4.789 3.816 1.00 0.00 H new ATOM 0 HG SER A 69 -9.498 5.920 2.868 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.609 4.148 6.584 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.605 2.917 7.365 1.00 0.00 C ATOM 1133 C ASN A 70 -7.320 1.795 6.618 1.00 0.00 C ATOM 1134 O ASN A 70 -7.941 0.926 7.228 1.00 0.00 O ATOM 1135 CB ASN A 70 -7.273 3.147 8.722 1.00 0.00 C ATOM 1136 CG ASN A 70 -6.763 4.397 9.413 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -7.066 5.516 9.000 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -5.984 4.210 10.472 1.00 0.00 N ATOM 0 H ASN A 70 -5.693 4.428 6.233 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.568 2.621 7.523 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.351 3.226 8.584 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.095 2.283 9.362 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.611 5.013 10.979 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.759 3.264 10.779 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.228 1.823 5.292 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.866 0.810 4.461 1.00 0.00 C ATOM 1147 C ARG A 71 -6.823 -0.012 3.708 1.00 0.00 C ATOM 1148 O ARG A 71 -7.136 -0.677 2.719 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.828 1.465 3.468 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.831 2.403 4.121 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.680 3.119 3.083 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.727 3.931 3.698 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.853 4.270 3.080 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -13.077 3.869 1.837 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.758 5.011 3.707 1.00 0.00 N ATOM 0 H ARG A 71 -6.718 2.536 4.771 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.428 0.142 5.114 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.251 2.021 2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.368 0.686 2.930 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.476 1.837 4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.302 3.137 4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.042 3.755 2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.134 2.385 2.417 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.586 4.256 4.655 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.384 3.299 1.352 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.942 4.131 1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.589 5.321 4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.622 5.271 3.232 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.583 0.039 4.181 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.493 -0.700 3.553 1.00 0.00 C ATOM 1171 C LEU A 72 -3.861 -1.679 4.537 1.00 0.00 C ATOM 1172 O LEU A 72 -3.725 -1.380 5.724 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.433 0.268 3.026 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.952 1.591 2.462 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.924 2.695 2.658 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.303 1.442 0.989 1.00 0.00 C ATOM 0 H LEU A 72 -5.307 0.584 4.998 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.904 -1.268 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.738 0.489 3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.864 -0.238 2.246 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.857 1.865 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.311 3.629 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.722 2.819 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.001 2.429 2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.671 2.393 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.415 1.144 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.075 0.681 0.874 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.474 -2.847 4.036 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.855 -3.869 4.871 1.00 0.00 C ATOM 1190 C ARG A 73 -1.413 -4.124 4.439 1.00 0.00 C ATOM 1191 O ARG A 73 -1.043 -3.930 3.281 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.657 -5.170 4.801 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.162 -4.957 4.782 1.00 0.00 C ATOM 1194 CD ARG A 73 -5.901 -6.240 4.437 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.240 -7.419 4.990 1.00 0.00 N ATOM 1196 CZ ARG A 73 -5.354 -7.799 6.258 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -6.101 -7.097 7.099 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -4.722 -8.884 6.686 1.00 0.00 N ATOM 0 H ARG A 73 -3.578 -3.109 3.056 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.850 -3.508 5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.365 -5.719 3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.397 -5.793 5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.492 -4.596 5.756 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.412 -4.185 4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.921 -6.184 4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.970 -6.338 3.354 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.659 -7.982 4.369 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.590 -6.263 6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.187 -7.391 8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.148 -9.427 6.041 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.810 -9.175 7.660 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.580 -4.568 5.391 1.00 0.00 N ATOM 1213 CA PRO A 74 0.834 -4.859 5.133 1.00 0.00 C ATOM 1214 C PRO A 74 1.021 -6.092 4.256 1.00 0.00 C ATOM 1215 O PRO A 74 1.089 -7.216 4.755 1.00 0.00 O ATOM 1216 CB PRO A 74 1.406 -5.105 6.531 1.00 0.00 C ATOM 1217 CG PRO A 74 0.240 -5.551 7.345 1.00 0.00 C ATOM 1218 CD PRO A 74 -0.953 -4.821 6.793 1.00 0.00 C ATOM 0 HA PRO A 74 1.325 -4.049 4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.188 -5.864 6.511 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.852 -4.199 6.941 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.104 -6.630 7.274 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.387 -5.317 8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.860 -5.421 6.865 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.141 -3.893 7.333 1.00 0.00 H new ATOM 1226 N LEU A 75 1.105 -5.875 2.948 1.00 0.00 N ATOM 1227 CA LEU A 75 1.286 -6.970 2.001 1.00 0.00 C ATOM 1228 C LEU A 75 2.549 -7.763 2.320 1.00 0.00 C ATOM 1229 O LEU A 75 3.530 -7.212 2.818 1.00 0.00 O ATOM 1230 CB LEU A 75 1.358 -6.427 0.573 1.00 0.00 C ATOM 1231 CG LEU A 75 1.588 -7.464 -0.528 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.347 -8.321 -0.721 1.00 0.00 C ATOM 1233 CD2 LEU A 75 1.975 -6.781 -1.831 1.00 0.00 C ATOM 0 H LEU A 75 1.051 -4.951 2.519 1.00 0.00 H new ATOM 0 HA LEU A 75 0.429 -7.638 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.429 -5.899 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.161 -5.691 0.525 1.00 0.00 H new ATOM 0 HG LEU A 75 2.409 -8.113 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.529 -9.053 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.114 -8.839 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.493 -7.686 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.135 -7.534 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.175 -6.108 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.893 -6.211 -1.685 1.00 0.00 H new