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+ 175:sc= 0 (180deg=-0.0105) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0644 X(o=-0.064,f=-0.076) 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 K(o=0,f=-1.2) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 30:sc= 0 USER MOD Single : A 38 SER OG : rot -85:sc= 0.31 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+ 152:sc= 1.64 (180deg=1.46) USER MOD Single : A 50 MET CE :methyl 168:sc= -0.828 (180deg=-0.979) USER MOD Single : A 53 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.48) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 159:sc= -0.799 USER MOD Single : A 70 ASN : amide:sc= -1.06! C(o=-1.1!,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 94 N LYS A 10 0.274 12.805 9.021 1.00 0.00 N ATOM 95 CA LYS A 10 0.875 12.714 7.696 1.00 0.00 C ATOM 96 C LYS A 10 1.834 11.531 7.613 1.00 0.00 C ATOM 97 O LYS A 10 1.525 10.509 7.001 1.00 0.00 O ATOM 98 CB LYS A 10 1.616 14.010 7.359 1.00 0.00 C ATOM 99 CG LYS A 10 0.740 15.249 7.435 1.00 0.00 C ATOM 100 CD LYS A 10 -0.318 15.250 6.345 1.00 0.00 C ATOM 101 CE LYS A 10 -1.502 16.130 6.718 1.00 0.00 C ATOM 102 NZ LYS A 10 -1.106 17.557 6.869 1.00 0.00 N ATOM 0 HA LYS A 10 0.075 12.561 6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.456 14.127 8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.032 13.930 6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.258 15.296 8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.360 16.141 7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.120 15.604 5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.662 14.231 6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.273 16.046 5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.940 15.774 7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.953 18.136 7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.453 17.653 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.635 17.880 6.000 1.00 0.00 H new ATOM 116 N LYS A 11 3.000 11.676 8.234 1.00 0.00 N ATOM 117 CA LYS A 11 4.004 10.619 8.234 1.00 0.00 C ATOM 118 C LYS A 11 3.414 9.307 8.742 1.00 0.00 C ATOM 119 O LYS A 11 2.451 9.288 9.508 1.00 0.00 O ATOM 120 CB LYS A 11 5.199 11.022 9.100 1.00 0.00 C ATOM 121 CG LYS A 11 5.935 12.249 8.589 1.00 0.00 C ATOM 122 CD LYS A 11 7.144 12.574 9.451 1.00 0.00 C ATOM 123 CE LYS A 11 8.393 11.867 8.948 1.00 0.00 C ATOM 124 NZ LYS A 11 9.458 11.817 9.988 1.00 0.00 N ATOM 0 H LYS A 11 3.273 12.516 8.744 1.00 0.00 H new ATOM 0 HA LYS A 11 4.340 10.472 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.853 11.213 10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.897 10.186 9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.255 12.080 7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.257 13.102 8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.311 13.651 9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.947 12.279 10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.138 10.853 8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.771 12.382 8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.293 11.328 9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.720 12.785 10.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.106 11.303 10.821 1.00 0.00 H new ATOM 138 N PRO A 12 4.005 8.184 8.308 1.00 0.00 N ATOM 139 CA PRO A 12 3.555 6.848 8.708 1.00 0.00 C ATOM 140 C PRO A 12 3.849 6.552 10.175 1.00 0.00 C ATOM 141 O PRO A 12 5.001 6.407 10.585 1.00 0.00 O ATOM 142 CB PRO A 12 4.363 5.915 7.802 1.00 0.00 C ATOM 143 CG PRO A 12 5.585 6.692 7.453 1.00 0.00 C ATOM 144 CD PRO A 12 5.157 8.132 7.393 1.00 0.00 C ATOM 0 HA PRO A 12 2.476 6.734 8.606 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.617 4.987 8.315 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.799 5.643 6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.366 6.548 8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.995 6.366 6.497 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.955 8.802 7.713 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.880 8.427 6.381 1.00 0.00 H new ATOM 152 N PRO A 13 2.785 6.460 10.986 1.00 0.00 N ATOM 153 CA PRO A 13 2.904 6.180 12.420 1.00 0.00 C ATOM 154 C PRO A 13 3.360 4.752 12.696 1.00 0.00 C ATOM 155 O PRO A 13 3.481 3.941 11.778 1.00 0.00 O ATOM 156 CB PRO A 13 1.482 6.398 12.944 1.00 0.00 C ATOM 157 CG PRO A 13 0.603 6.158 11.765 1.00 0.00 C ATOM 158 CD PRO A 13 1.383 6.623 10.566 1.00 0.00 C ATOM 0 HA PRO A 13 3.651 6.814 12.898 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.250 5.710 13.757 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.354 7.408 13.334 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.346 5.102 11.678 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.334 6.707 11.858 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.156 6.026 9.683 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.156 7.660 10.317 1.00 0.00 H new ATOM 166 N ASN A 14 3.612 4.450 13.965 1.00 0.00 N ATOM 167 CA ASN A 14 4.055 3.118 14.361 1.00 0.00 C ATOM 168 C ASN A 14 3.166 2.043 13.744 1.00 0.00 C ATOM 169 O ASN A 14 2.076 1.763 14.242 1.00 0.00 O ATOM 170 CB ASN A 14 4.048 2.988 15.886 1.00 0.00 C ATOM 171 CG ASN A 14 4.940 4.013 16.558 1.00 0.00 C ATOM 172 OD1 ASN A 14 4.464 5.028 17.067 1.00 0.00 O ATOM 173 ND2 ASN A 14 6.242 3.752 16.562 1.00 0.00 N ATOM 0 H ASN A 14 3.517 5.110 14.737 1.00 0.00 H new ATOM 0 HA ASN A 14 5.072 2.977 13.995 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.028 3.102 16.253 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.377 1.987 16.164 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.892 4.406 16.999 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.592 2.898 16.128 1.00 0.00 H new ATOM 180 N ARG A 15 3.640 1.444 12.656 1.00 0.00 N ATOM 181 CA ARG A 15 2.888 0.401 11.970 1.00 0.00 C ATOM 182 C ARG A 15 3.792 -0.776 11.614 1.00 0.00 C ATOM 183 O ARG A 15 4.529 -0.749 10.627 1.00 0.00 O ATOM 184 CB ARG A 15 2.238 0.960 10.703 1.00 0.00 C ATOM 185 CG ARG A 15 0.939 0.267 10.328 1.00 0.00 C ATOM 186 CD ARG A 15 -0.009 1.212 9.606 1.00 0.00 C ATOM 187 NE ARG A 15 -0.577 2.211 10.507 1.00 0.00 N ATOM 188 CZ ARG A 15 -1.444 1.922 11.471 1.00 0.00 C ATOM 189 NH1 ARG A 15 -1.840 0.671 11.659 1.00 0.00 N ATOM 190 NH2 ARG A 15 -1.917 2.887 12.250 1.00 0.00 N ATOM 0 H ARG A 15 4.541 1.663 12.231 1.00 0.00 H new ATOM 0 HA ARG A 15 2.108 0.047 12.644 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.045 2.024 10.843 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.940 0.870 9.874 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.154 -0.591 9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.457 -0.116 11.227 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.524 1.714 8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.814 0.638 9.148 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.293 3.183 10.390 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.479 -0.073 11.062 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.506 0.453 12.400 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.615 3.851 12.108 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.583 2.665 12.990 1.00 0.00 H new ATOM 204 N PRO A 16 3.738 -1.834 12.436 1.00 0.00 N ATOM 205 CA PRO A 16 4.545 -3.040 12.228 1.00 0.00 C ATOM 206 C PRO A 16 4.092 -3.839 11.010 1.00 0.00 C ATOM 207 O PRO A 16 3.386 -4.838 11.139 1.00 0.00 O ATOM 208 CB PRO A 16 4.316 -3.845 13.510 1.00 0.00 C ATOM 209 CG PRO A 16 2.992 -3.385 14.015 1.00 0.00 C ATOM 210 CD PRO A 16 2.883 -1.936 13.630 1.00 0.00 C ATOM 0 HA PRO A 16 5.592 -2.802 12.038 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.313 -4.916 13.309 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.104 -3.660 14.240 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.183 -3.968 13.575 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.922 -3.508 15.096 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.853 -1.655 13.411 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.229 -1.281 14.429 1.00 0.00 H new ATOM 218 N GLY A 17 4.504 -3.391 9.828 1.00 0.00 N ATOM 219 CA GLY A 17 4.131 -4.076 8.604 1.00 0.00 C ATOM 220 C GLY A 17 3.960 -3.125 7.436 1.00 0.00 C ATOM 221 O GLY A 17 4.725 -3.172 6.472 1.00 0.00 O ATOM 0 H GLY A 17 5.089 -2.566 9.696 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.894 -4.815 8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.200 -4.620 8.765 1.00 0.00 H new ATOM 225 N ILE A 18 2.955 -2.260 7.521 1.00 0.00 N ATOM 226 CA ILE A 18 2.687 -1.295 6.463 1.00 0.00 C ATOM 227 C ILE A 18 3.659 -0.123 6.528 1.00 0.00 C ATOM 228 O ILE A 18 4.024 0.336 7.611 1.00 0.00 O ATOM 229 CB ILE A 18 1.246 -0.757 6.543 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.255 -1.913 6.700 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.917 0.064 5.306 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.177 -1.460 6.882 1.00 0.00 C ATOM 0 H ILE A 18 2.313 -2.208 8.312 1.00 0.00 H new ATOM 0 HA ILE A 18 2.818 -1.820 5.517 1.00 0.00 H new ATOM 0 HB ILE A 18 1.164 -0.110 7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.316 -2.555 5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.548 -2.518 7.558 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.105 0.437 5.378 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.606 0.905 5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.013 -0.561 4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.824 -2.331 6.987 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.252 -0.842 7.777 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.488 -0.880 6.013 1.00 0.00 H new ATOM 244 N THR A 19 4.075 0.360 5.362 1.00 0.00 N ATOM 245 CA THR A 19 5.005 1.480 5.286 1.00 0.00 C ATOM 246 C THR A 19 4.711 2.358 4.075 1.00 0.00 C ATOM 247 O THR A 19 4.976 1.972 2.936 1.00 0.00 O ATOM 248 CB THR A 19 6.465 0.994 5.210 1.00 0.00 C ATOM 249 OG1 THR A 19 6.896 0.536 6.497 1.00 0.00 O ATOM 250 CG2 THR A 19 7.382 2.108 4.729 1.00 0.00 C ATOM 0 H THR A 19 3.782 -0.007 4.456 1.00 0.00 H new ATOM 0 HA THR A 19 4.871 2.064 6.196 1.00 0.00 H new ATOM 0 HB THR A 19 6.515 0.171 4.497 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.134 0.530 7.114 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.407 1.741 4.683 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.069 2.434 3.737 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.328 2.948 5.421 1.00 0.00 H new ATOM 258 N PHE A 20 4.161 3.541 4.327 1.00 0.00 N ATOM 259 CA PHE A 20 3.831 4.475 3.257 1.00 0.00 C ATOM 260 C PHE A 20 5.096 5.028 2.607 1.00 0.00 C ATOM 261 O PHE A 20 5.760 5.901 3.164 1.00 0.00 O ATOM 262 CB PHE A 20 2.978 5.624 3.799 1.00 0.00 C ATOM 263 CG PHE A 20 1.878 5.173 4.717 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.094 4.077 4.393 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.628 5.844 5.902 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.080 3.660 5.236 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.616 5.432 6.749 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.158 4.338 6.416 1.00 0.00 C ATOM 0 H PHE A 20 3.934 3.876 5.263 1.00 0.00 H new ATOM 0 HA PHE A 20 3.262 3.935 2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.622 6.323 4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.541 6.168 2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.277 3.543 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.231 6.700 6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.525 2.805 4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.431 5.965 7.670 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.948 4.013 7.077 1.00 0.00 H new ATOM 278 N GLU A 21 5.422 4.511 1.427 1.00 0.00 N ATOM 279 CA GLU A 21 6.608 4.952 0.702 1.00 0.00 C ATOM 280 C GLU A 21 6.380 4.887 -0.805 1.00 0.00 C ATOM 281 O GLU A 21 5.301 4.513 -1.265 1.00 0.00 O ATOM 282 CB GLU A 21 7.815 4.093 1.084 1.00 0.00 C ATOM 283 CG GLU A 21 7.802 2.711 0.453 1.00 0.00 C ATOM 284 CD GLU A 21 9.183 2.088 0.384 1.00 0.00 C ATOM 285 OE1 GLU A 21 9.999 2.351 1.292 1.00 0.00 O ATOM 286 OE2 GLU A 21 9.447 1.337 -0.578 1.00 0.00 O ATOM 0 H GLU A 21 4.882 3.787 0.953 1.00 0.00 H new ATOM 0 HA GLU A 21 6.807 5.988 0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.727 4.610 0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.847 3.988 2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.142 2.060 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.387 2.779 -0.553 1.00 0.00 H new ATOM 293 N ILE A 22 7.404 5.255 -1.569 1.00 0.00 N ATOM 294 CA ILE A 22 7.315 5.238 -3.024 1.00 0.00 C ATOM 295 C ILE A 22 7.678 3.865 -3.581 1.00 0.00 C ATOM 296 O ILE A 22 8.837 3.455 -3.543 1.00 0.00 O ATOM 297 CB ILE A 22 8.239 6.296 -3.656 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.760 7.704 -3.293 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.289 6.121 -5.166 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.282 7.919 -3.530 1.00 0.00 C ATOM 0 H ILE A 22 8.304 5.568 -1.205 1.00 0.00 H new ATOM 0 HA ILE A 22 6.281 5.470 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 22 9.246 6.161 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.983 7.896 -2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.323 8.432 -3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.946 6.876 -5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.671 5.128 -5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.286 6.233 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.013 8.938 -3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.056 7.760 -4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.710 7.215 -2.926 1.00 0.00 H new ATOM 312 N GLY A 23 6.678 3.160 -4.099 1.00 0.00 N ATOM 313 CA GLY A 23 6.912 1.841 -4.658 1.00 0.00 C ATOM 314 C GLY A 23 6.629 0.732 -3.665 1.00 0.00 C ATOM 315 O GLY A 23 6.859 -0.443 -3.954 1.00 0.00 O ATOM 0 H GLY A 23 5.710 3.478 -4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.283 1.706 -5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.947 1.770 -4.992 1.00 0.00 H new ATOM 319 N ALA A 24 6.132 1.104 -2.490 1.00 0.00 N ATOM 320 CA ALA A 24 5.818 0.131 -1.451 1.00 0.00 C ATOM 321 C ALA A 24 4.690 -0.796 -1.889 1.00 0.00 C ATOM 322 O ALA A 24 3.691 -0.350 -2.455 1.00 0.00 O ATOM 323 CB ALA A 24 5.447 0.842 -0.158 1.00 0.00 C ATOM 0 H ALA A 24 5.938 2.072 -2.234 1.00 0.00 H new ATOM 0 HA ALA A 24 6.706 -0.477 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.215 0.104 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.284 1.457 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.576 1.475 -0.328 1.00 0.00 H new ATOM 329 N ARG A 25 4.855 -2.088 -1.626 1.00 0.00 N ATOM 330 CA ARG A 25 3.851 -3.078 -1.995 1.00 0.00 C ATOM 331 C ARG A 25 2.956 -3.414 -0.806 1.00 0.00 C ATOM 332 O ARG A 25 3.417 -3.958 0.198 1.00 0.00 O ATOM 333 CB ARG A 25 4.525 -4.350 -2.515 1.00 0.00 C ATOM 334 CG ARG A 25 5.458 -4.107 -3.691 1.00 0.00 C ATOM 335 CD ARG A 25 6.415 -5.272 -3.892 1.00 0.00 C ATOM 336 NE ARG A 25 7.558 -4.904 -4.723 1.00 0.00 N ATOM 337 CZ ARG A 25 8.439 -5.781 -5.190 1.00 0.00 C ATOM 338 NH1 ARG A 25 8.309 -7.071 -4.909 1.00 0.00 N ATOM 339 NH2 ARG A 25 9.453 -5.369 -5.940 1.00 0.00 N ATOM 0 H ARG A 25 5.675 -2.474 -1.158 1.00 0.00 H new ATOM 0 HA ARG A 25 3.232 -2.654 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.089 -4.810 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.756 -5.063 -2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.871 -3.956 -4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.027 -3.192 -3.523 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.769 -5.621 -2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.883 -6.103 -4.355 1.00 0.00 H new ATOM 0 HE ARG A 25 7.687 -3.920 -4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.531 -7.392 -4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.987 -7.742 -5.269 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.556 -4.378 -6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.129 -6.043 -6.298 1.00 0.00 H new ATOM 353 N LEU A 26 1.674 -3.088 -0.927 1.00 0.00 N ATOM 354 CA LEU A 26 0.713 -3.354 0.137 1.00 0.00 C ATOM 355 C LEU A 26 -0.667 -3.658 -0.438 1.00 0.00 C ATOM 356 O LEU A 26 -0.862 -3.635 -1.653 1.00 0.00 O ATOM 357 CB LEU A 26 0.630 -2.158 1.087 1.00 0.00 C ATOM 358 CG LEU A 26 0.489 -0.786 0.428 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.754 -0.430 -0.338 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.721 -0.758 -0.494 1.00 0.00 C ATOM 0 H LEU A 26 1.276 -2.639 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 26 1.055 -4.228 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.219 -2.307 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.526 -2.150 1.708 1.00 0.00 H new ATOM 0 HG LEU A 26 0.341 -0.042 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.636 0.550 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.601 -0.407 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.933 -1.177 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.805 0.227 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.604 -1.513 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.622 -0.968 0.082 1.00 0.00 H new ATOM 372 N GLU A 27 -1.621 -3.940 0.444 1.00 0.00 N ATOM 373 CA GLU A 27 -2.983 -4.247 0.022 1.00 0.00 C ATOM 374 C GLU A 27 -3.922 -3.084 0.329 1.00 0.00 C ATOM 375 O GLU A 27 -3.778 -2.408 1.347 1.00 0.00 O ATOM 376 CB GLU A 27 -3.482 -5.516 0.716 1.00 0.00 C ATOM 377 CG GLU A 27 -2.646 -6.747 0.407 1.00 0.00 C ATOM 378 CD GLU A 27 -3.055 -7.952 1.231 1.00 0.00 C ATOM 379 OE1 GLU A 27 -2.553 -8.092 2.366 1.00 0.00 O ATOM 380 OE2 GLU A 27 -3.877 -8.754 0.742 1.00 0.00 O ATOM 0 H GLU A 27 -1.476 -3.962 1.453 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.974 -4.410 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.488 -5.352 1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.513 -5.703 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.738 -6.988 -0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.595 -6.524 0.593 1.00 0.00 H new ATOM 387 N ALA A 28 -4.884 -2.857 -0.560 1.00 0.00 N ATOM 388 CA ALA A 28 -5.848 -1.778 -0.384 1.00 0.00 C ATOM 389 C ALA A 28 -7.277 -2.311 -0.394 1.00 0.00 C ATOM 390 O ALA A 28 -7.610 -3.207 -1.171 1.00 0.00 O ATOM 391 CB ALA A 28 -5.667 -0.727 -1.469 1.00 0.00 C ATOM 0 H ALA A 28 -5.016 -3.406 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.667 -1.317 0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.393 0.073 -1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.659 -0.316 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.819 -1.184 -2.447 1.00 0.00 H new ATOM 397 N LEU A 29 -8.117 -1.755 0.472 1.00 0.00 N ATOM 398 CA LEU A 29 -9.511 -2.175 0.562 1.00 0.00 C ATOM 399 C LEU A 29 -10.372 -1.429 -0.452 1.00 0.00 C ATOM 400 O LEU A 29 -10.618 -0.231 -0.309 1.00 0.00 O ATOM 401 CB LEU A 29 -10.045 -1.936 1.976 1.00 0.00 C ATOM 402 CG LEU A 29 -11.400 -2.568 2.297 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.238 -4.047 2.612 1.00 0.00 C ATOM 404 CD2 LEU A 29 -12.065 -1.843 3.459 1.00 0.00 C ATOM 0 H LEU A 29 -7.857 -1.013 1.122 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.559 -3.240 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.312 -2.314 2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.121 -0.861 2.137 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.041 -2.472 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.213 -4.480 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.805 -4.557 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.580 -4.166 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.028 -2.306 3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.427 -1.907 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.216 -0.796 3.196 1.00 0.00 H new ATOM 416 N ASP A 30 -10.828 -2.145 -1.473 1.00 0.00 N ATOM 417 CA ASP A 30 -11.664 -1.551 -2.510 1.00 0.00 C ATOM 418 C ASP A 30 -13.094 -1.363 -2.013 1.00 0.00 C ATOM 419 O ASP A 30 -13.498 -1.957 -1.013 1.00 0.00 O ATOM 420 CB ASP A 30 -11.658 -2.427 -3.764 1.00 0.00 C ATOM 421 CG ASP A 30 -11.902 -3.890 -3.449 1.00 0.00 C ATOM 422 OD1 ASP A 30 -13.026 -4.226 -3.021 1.00 0.00 O ATOM 423 OD2 ASP A 30 -10.968 -4.699 -3.632 1.00 0.00 O ATOM 0 H ASP A 30 -10.633 -3.137 -1.605 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.253 -0.573 -2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.425 -2.074 -4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.699 -2.323 -4.272 1.00 0.00 H new ATOM 428 N TYR A 31 -13.855 -0.532 -2.717 1.00 0.00 N ATOM 429 CA TYR A 31 -15.239 -0.262 -2.345 1.00 0.00 C ATOM 430 C TYR A 31 -15.988 -1.560 -2.058 1.00 0.00 C ATOM 431 O TYR A 31 -16.934 -1.583 -1.269 1.00 0.00 O ATOM 432 CB TYR A 31 -15.946 0.513 -3.458 1.00 0.00 C ATOM 433 CG TYR A 31 -15.541 0.080 -4.849 1.00 0.00 C ATOM 434 CD1 TYR A 31 -14.397 0.591 -5.450 1.00 0.00 C ATOM 435 CD2 TYR A 31 -16.302 -0.837 -5.562 1.00 0.00 C ATOM 436 CE1 TYR A 31 -14.022 0.199 -6.721 1.00 0.00 C ATOM 437 CE2 TYR A 31 -15.934 -1.236 -6.833 1.00 0.00 C ATOM 438 CZ TYR A 31 -14.794 -0.714 -7.408 1.00 0.00 C ATOM 439 OH TYR A 31 -14.426 -1.107 -8.674 1.00 0.00 O ATOM 0 H TYR A 31 -13.537 -0.034 -3.548 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.234 0.342 -1.438 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -17.023 0.390 -3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.733 1.576 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.791 1.307 -4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -17.197 -1.245 -5.116 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.130 0.605 -7.174 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -16.535 -1.952 -7.373 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.076 -1.755 -9.017 1.00 0.00 H new ATOM 449 N LEU A 32 -15.559 -2.638 -2.703 1.00 0.00 N ATOM 450 CA LEU A 32 -16.188 -3.942 -2.518 1.00 0.00 C ATOM 451 C LEU A 32 -15.637 -4.641 -1.279 1.00 0.00 C ATOM 452 O LEU A 32 -15.746 -5.859 -1.143 1.00 0.00 O ATOM 453 CB LEU A 32 -15.966 -4.817 -3.753 1.00 0.00 C ATOM 454 CG LEU A 32 -16.446 -4.236 -5.083 1.00 0.00 C ATOM 455 CD1 LEU A 32 -15.992 -5.109 -6.242 1.00 0.00 C ATOM 456 CD2 LEU A 32 -17.960 -4.088 -5.085 1.00 0.00 C ATOM 0 H LEU A 32 -14.778 -2.636 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.258 -3.786 -2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.900 -5.029 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.470 -5.770 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.004 -3.247 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.343 -4.680 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.903 -5.163 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.404 -6.112 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.284 -3.673 -6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -18.421 -5.065 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.261 -3.420 -4.278 1.00 0.00 H new ATOM 468 N GLN A 33 -15.047 -3.861 -0.379 1.00 0.00 N ATOM 469 CA GLN A 33 -14.481 -4.406 0.849 1.00 0.00 C ATOM 470 C GLN A 33 -13.611 -5.623 0.554 1.00 0.00 C ATOM 471 O GLN A 33 -13.481 -6.523 1.385 1.00 0.00 O ATOM 472 CB GLN A 33 -15.596 -4.786 1.825 1.00 0.00 C ATOM 473 CG GLN A 33 -16.502 -3.623 2.196 1.00 0.00 C ATOM 474 CD GLN A 33 -17.330 -3.900 3.435 1.00 0.00 C ATOM 475 OE1 GLN A 33 -17.304 -5.004 3.979 1.00 0.00 O ATOM 476 NE2 GLN A 33 -18.071 -2.896 3.889 1.00 0.00 N ATOM 0 H GLN A 33 -14.949 -2.851 -0.477 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.856 -3.637 1.304 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.199 -5.579 1.384 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.150 -5.192 2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.895 -2.733 2.361 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.167 -3.405 1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.062 -1.997 3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.649 -3.024 4.720 1.00 0.00 H new ATOM 485 N LYS A 34 -13.016 -5.646 -0.634 1.00 0.00 N ATOM 486 CA LYS A 34 -12.157 -6.752 -1.039 1.00 0.00 C ATOM 487 C LYS A 34 -10.686 -6.364 -0.936 1.00 0.00 C ATOM 488 O LYS A 34 -10.305 -5.243 -1.274 1.00 0.00 O ATOM 489 CB LYS A 34 -12.484 -7.179 -2.472 1.00 0.00 C ATOM 490 CG LYS A 34 -13.901 -7.698 -2.644 1.00 0.00 C ATOM 491 CD LYS A 34 -13.986 -8.730 -3.756 1.00 0.00 C ATOM 492 CE LYS A 34 -15.411 -8.886 -4.264 1.00 0.00 C ATOM 493 NZ LYS A 34 -15.460 -9.610 -5.565 1.00 0.00 N ATOM 0 H LYS A 34 -13.113 -4.910 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.341 -7.589 -0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.334 -6.330 -3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.782 -7.954 -2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.243 -8.141 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.570 -6.866 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.336 -8.434 -4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.621 -9.690 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.003 -9.426 -3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.865 -7.902 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.448 -9.696 -5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.916 -9.082 -6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.050 -10.559 -5.450 1.00 0.00 H new ATOM 507 N TRP A 35 -9.865 -7.297 -0.469 1.00 0.00 N ATOM 508 CA TRP A 35 -8.434 -7.053 -0.323 1.00 0.00 C ATOM 509 C TRP A 35 -7.680 -7.466 -1.582 1.00 0.00 C ATOM 510 O TRP A 35 -7.924 -8.535 -2.141 1.00 0.00 O ATOM 511 CB TRP A 35 -7.887 -7.812 0.886 1.00 0.00 C ATOM 512 CG TRP A 35 -8.453 -7.339 2.191 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.280 -8.035 3.026 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.235 -6.066 2.808 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.589 -7.270 4.125 1.00 0.00 N ATOM 516 CE2 TRP A 35 -8.960 -6.059 4.016 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.496 -4.932 2.460 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -8.967 -4.961 4.873 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.505 -3.843 3.311 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.236 -3.865 4.507 1.00 0.00 C ATOM 0 H TRP A 35 -10.165 -8.230 -0.185 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.287 -5.984 -0.169 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.104 -8.874 0.768 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.802 -7.709 0.910 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.638 -9.038 2.849 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.190 -7.558 4.897 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.928 -4.907 1.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.530 -4.975 5.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.940 -2.961 3.050 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.221 -2.999 5.152 1.00 0.00 H new ATOM 531 N TYR A 36 -6.763 -6.612 -2.024 1.00 0.00 N ATOM 532 CA TYR A 36 -5.975 -6.888 -3.220 1.00 0.00 C ATOM 533 C TYR A 36 -4.621 -6.188 -3.153 1.00 0.00 C ATOM 534 O TYR A 36 -4.450 -5.175 -2.475 1.00 0.00 O ATOM 535 CB TYR A 36 -6.733 -6.441 -4.471 1.00 0.00 C ATOM 536 CG TYR A 36 -7.942 -7.293 -4.783 1.00 0.00 C ATOM 537 CD1 TYR A 36 -7.818 -8.662 -4.986 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.209 -6.729 -4.876 1.00 0.00 C ATOM 539 CE1 TYR A 36 -8.920 -9.444 -5.273 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.316 -7.504 -5.161 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.167 -8.860 -5.359 1.00 0.00 C ATOM 542 OH TYR A 36 -11.267 -9.636 -5.643 1.00 0.00 O ATOM 0 H TYR A 36 -6.547 -5.723 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.805 -7.963 -3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.051 -5.407 -4.342 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.054 -6.462 -5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.843 -9.123 -4.918 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.330 -5.667 -4.723 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.806 -10.507 -5.429 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.294 -7.050 -5.228 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.126 -10.542 -5.297 1.00 0.00 H new ATOM 552 N PRO A 37 -3.635 -6.739 -3.876 1.00 0.00 N ATOM 553 CA PRO A 37 -2.279 -6.184 -3.918 1.00 0.00 C ATOM 554 C PRO A 37 -2.219 -4.857 -4.667 1.00 0.00 C ATOM 555 O PRO A 37 -2.908 -4.667 -5.669 1.00 0.00 O ATOM 556 CB PRO A 37 -1.480 -7.256 -4.664 1.00 0.00 C ATOM 557 CG PRO A 37 -2.488 -7.968 -5.497 1.00 0.00 C ATOM 558 CD PRO A 37 -3.768 -7.947 -4.708 1.00 0.00 C ATOM 0 HA PRO A 37 -1.897 -5.965 -2.921 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.700 -6.810 -5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.987 -7.937 -3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.616 -7.475 -6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.173 -8.991 -5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.641 -7.893 -5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.880 -8.844 -4.099 1.00 0.00 H new ATOM 566 N SER A 38 -1.389 -3.942 -4.175 1.00 0.00 N ATOM 567 CA SER A 38 -1.242 -2.631 -4.796 1.00 0.00 C ATOM 568 C SER A 38 0.122 -2.027 -4.473 1.00 0.00 C ATOM 569 O SER A 38 0.888 -2.583 -3.685 1.00 0.00 O ATOM 570 CB SER A 38 -2.353 -1.692 -4.324 1.00 0.00 C ATOM 571 OG SER A 38 -3.620 -2.130 -4.781 1.00 0.00 O ATOM 0 H SER A 38 -0.809 -4.085 -3.349 1.00 0.00 H new ATOM 0 HA SER A 38 -1.318 -2.757 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.353 -1.642 -3.235 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.160 -0.683 -4.689 1.00 0.00 H new ATOM 0 HG SER A 38 -3.778 -1.787 -5.685 1.00 0.00 H new ATOM 577 N ARG A 39 0.417 -0.887 -5.087 1.00 0.00 N ATOM 578 CA ARG A 39 1.688 -0.207 -4.867 1.00 0.00 C ATOM 579 C ARG A 39 1.489 1.303 -4.781 1.00 0.00 C ATOM 580 O ARG A 39 0.445 1.825 -5.172 1.00 0.00 O ATOM 581 CB ARG A 39 2.670 -0.539 -5.992 1.00 0.00 C ATOM 582 CG ARG A 39 3.539 -1.753 -5.704 1.00 0.00 C ATOM 583 CD ARG A 39 4.707 -1.845 -6.674 1.00 0.00 C ATOM 584 NE ARG A 39 5.117 -3.227 -6.907 1.00 0.00 N ATOM 585 CZ ARG A 39 4.505 -4.041 -7.759 1.00 0.00 C ATOM 586 NH1 ARG A 39 3.461 -3.614 -8.456 1.00 0.00 N ATOM 587 NH2 ARG A 39 4.938 -5.286 -7.916 1.00 0.00 N ATOM 0 H ARG A 39 -0.207 -0.414 -5.741 1.00 0.00 H new ATOM 0 HA ARG A 39 2.099 -0.557 -3.920 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.111 -0.713 -6.911 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.313 0.324 -6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.916 -1.698 -4.683 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.936 -2.658 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.428 -1.385 -7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.551 -1.278 -6.280 1.00 0.00 H new ATOM 0 HE ARG A 39 5.917 -3.587 -6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.126 -2.658 -8.338 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.993 -4.242 -9.110 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.741 -5.618 -7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.467 -5.911 -8.571 1.00 0.00 H new ATOM 601 N ILE A 40 2.497 1.999 -4.266 1.00 0.00 N ATOM 602 CA ILE A 40 2.433 3.448 -4.129 1.00 0.00 C ATOM 603 C ILE A 40 3.245 4.140 -5.218 1.00 0.00 C ATOM 604 O ILE A 40 4.475 4.148 -5.178 1.00 0.00 O ATOM 605 CB ILE A 40 2.947 3.907 -2.751 1.00 0.00 C ATOM 606 CG1 ILE A 40 1.926 3.570 -1.663 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.241 5.400 -2.765 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.499 3.608 -0.264 1.00 0.00 C ATOM 0 H ILE A 40 3.368 1.582 -3.937 1.00 0.00 H new ATOM 0 HA ILE A 40 1.384 3.728 -4.228 1.00 0.00 H new ATOM 0 HB ILE A 40 3.873 3.376 -2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.095 4.273 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.519 2.577 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.603 5.709 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.001 5.614 -3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.330 5.948 -3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.719 3.359 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.311 2.885 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.881 4.607 -0.054 1.00 0.00 H new ATOM 620 N GLU A 41 2.548 4.722 -6.189 1.00 0.00 N ATOM 621 CA GLU A 41 3.206 5.417 -7.289 1.00 0.00 C ATOM 622 C GLU A 41 3.753 6.766 -6.830 1.00 0.00 C ATOM 623 O GLU A 41 4.916 7.091 -7.069 1.00 0.00 O ATOM 624 CB GLU A 41 2.230 5.619 -8.451 1.00 0.00 C ATOM 625 CG GLU A 41 2.078 4.394 -9.337 1.00 0.00 C ATOM 626 CD GLU A 41 3.253 4.206 -10.278 1.00 0.00 C ATOM 627 OE1 GLU A 41 4.352 4.707 -9.962 1.00 0.00 O ATOM 628 OE2 GLU A 41 3.072 3.556 -11.329 1.00 0.00 O ATOM 0 H GLU A 41 1.529 4.726 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 41 4.040 4.802 -7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.253 5.891 -8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.570 6.457 -9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.973 3.508 -8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.161 4.483 -9.920 1.00 0.00 H new ATOM 635 N LYS A 42 2.905 7.548 -6.171 1.00 0.00 N ATOM 636 CA LYS A 42 3.301 8.862 -5.677 1.00 0.00 C ATOM 637 C LYS A 42 2.684 9.138 -4.310 1.00 0.00 C ATOM 638 O LYS A 42 1.692 8.516 -3.929 1.00 0.00 O ATOM 639 CB LYS A 42 2.880 9.950 -6.667 1.00 0.00 C ATOM 640 CG LYS A 42 3.755 10.016 -7.907 1.00 0.00 C ATOM 641 CD LYS A 42 3.055 10.739 -9.046 1.00 0.00 C ATOM 642 CE LYS A 42 3.639 10.350 -10.396 1.00 0.00 C ATOM 643 NZ LYS A 42 4.958 10.998 -10.636 1.00 0.00 N ATOM 0 H LYS A 42 1.938 7.295 -5.966 1.00 0.00 H new ATOM 0 HA LYS A 42 4.386 8.872 -5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.848 9.774 -6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.904 10.917 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.687 10.528 -7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.017 9.006 -8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.991 10.504 -9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.147 11.816 -8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.752 9.267 -10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.945 10.634 -11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.323 10.708 -11.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.846 12.032 -10.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.628 10.707 -9.895 1.00 0.00 H new ATOM 657 N ILE A 43 3.277 10.074 -3.577 1.00 0.00 N ATOM 658 CA ILE A 43 2.784 10.433 -2.253 1.00 0.00 C ATOM 659 C ILE A 43 2.740 11.947 -2.075 1.00 0.00 C ATOM 660 O ILE A 43 3.640 12.661 -2.517 1.00 0.00 O ATOM 661 CB ILE A 43 3.657 9.822 -1.141 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.570 8.295 -1.176 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.230 10.352 0.219 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.575 7.612 -0.275 1.00 0.00 C ATOM 0 H ILE A 43 4.099 10.597 -3.877 1.00 0.00 H new ATOM 0 HA ILE A 43 1.774 10.030 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 43 4.694 10.112 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.565 7.990 -0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.721 7.954 -2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.856 9.911 0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.339 11.436 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.188 10.089 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.456 6.531 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.584 7.888 -0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.410 7.924 0.756 1.00 0.00 H new ATOM 676 N ASP A 44 1.688 12.430 -1.423 1.00 0.00 N ATOM 677 CA ASP A 44 1.527 13.859 -1.183 1.00 0.00 C ATOM 678 C ASP A 44 1.441 14.153 0.312 1.00 0.00 C ATOM 679 O ASP A 44 0.401 13.945 0.937 1.00 0.00 O ATOM 680 CB ASP A 44 0.275 14.380 -1.891 1.00 0.00 C ATOM 681 CG ASP A 44 0.301 15.883 -2.081 1.00 0.00 C ATOM 682 OD1 ASP A 44 0.915 16.578 -1.244 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.293 16.366 -3.068 1.00 0.00 O ATOM 0 H ASP A 44 0.934 11.853 -1.051 1.00 0.00 H new ATOM 0 HA ASP A 44 2.401 14.370 -1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.183 13.895 -2.863 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.607 14.105 -1.313 1.00 0.00 H new ATOM 688 N TYR A 45 2.541 14.637 0.879 1.00 0.00 N ATOM 689 CA TYR A 45 2.590 14.956 2.301 1.00 0.00 C ATOM 690 C TYR A 45 1.877 16.273 2.589 1.00 0.00 C ATOM 691 O TYR A 45 1.394 16.500 3.697 1.00 0.00 O ATOM 692 CB TYR A 45 4.042 15.034 2.777 1.00 0.00 C ATOM 693 CG TYR A 45 4.684 13.681 2.986 1.00 0.00 C ATOM 694 CD1 TYR A 45 4.874 12.808 1.922 1.00 0.00 C ATOM 695 CD2 TYR A 45 5.102 13.276 4.248 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.459 11.571 2.109 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.689 12.041 4.444 1.00 0.00 C ATOM 698 CZ TYR A 45 5.866 11.192 3.372 1.00 0.00 C ATOM 699 OH TYR A 45 6.450 9.961 3.562 1.00 0.00 O ATOM 0 H TYR A 45 3.410 14.817 0.376 1.00 0.00 H new ATOM 0 HA TYR A 45 2.078 14.161 2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.625 15.595 2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.080 15.593 3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.559 13.102 0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.966 13.938 5.090 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.597 10.904 1.271 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.008 11.742 5.432 1.00 0.00 H new ATOM 0 HH TYR A 45 6.679 9.850 4.508 1.00 0.00 H new ATOM 709 N GLU A 46 1.817 17.138 1.581 1.00 0.00 N ATOM 710 CA GLU A 46 1.163 18.434 1.726 1.00 0.00 C ATOM 711 C GLU A 46 -0.350 18.271 1.829 1.00 0.00 C ATOM 712 O GLU A 46 -1.019 19.027 2.533 1.00 0.00 O ATOM 713 CB GLU A 46 1.511 19.340 0.543 1.00 0.00 C ATOM 714 CG GLU A 46 2.999 19.610 0.399 1.00 0.00 C ATOM 715 CD GLU A 46 3.322 20.470 -0.807 1.00 0.00 C ATOM 716 OE1 GLU A 46 3.248 19.952 -1.941 1.00 0.00 O ATOM 717 OE2 GLU A 46 3.649 21.660 -0.618 1.00 0.00 O ATOM 0 H GLU A 46 2.212 16.965 0.657 1.00 0.00 H new ATOM 0 HA GLU A 46 1.524 18.894 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.143 18.882 -0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.988 20.289 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.364 20.103 1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.530 18.662 0.317 1.00 0.00 H new ATOM 724 N GLU A 47 -0.883 17.280 1.120 1.00 0.00 N ATOM 725 CA GLU A 47 -2.317 17.019 1.131 1.00 0.00 C ATOM 726 C GLU A 47 -2.657 15.887 2.096 1.00 0.00 C ATOM 727 O GLU A 47 -3.637 15.960 2.836 1.00 0.00 O ATOM 728 CB GLU A 47 -2.805 16.669 -0.276 1.00 0.00 C ATOM 729 CG GLU A 47 -2.977 17.879 -1.179 1.00 0.00 C ATOM 730 CD GLU A 47 -3.632 19.048 -0.470 1.00 0.00 C ATOM 731 OE1 GLU A 47 -2.926 19.765 0.270 1.00 0.00 O ATOM 732 OE2 GLU A 47 -4.851 19.246 -0.655 1.00 0.00 O ATOM 0 H GLU A 47 -0.343 16.646 0.531 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.822 17.924 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.096 15.980 -0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.757 16.144 -0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.002 18.188 -1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.579 17.600 -2.044 1.00 0.00 H new ATOM 739 N GLY A 48 -1.839 14.839 2.080 1.00 0.00 N ATOM 740 CA GLY A 48 -2.070 13.705 2.957 1.00 0.00 C ATOM 741 C GLY A 48 -2.639 12.509 2.220 1.00 0.00 C ATOM 742 O GLY A 48 -3.377 11.709 2.796 1.00 0.00 O ATOM 0 H GLY A 48 -1.021 14.755 1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.132 13.421 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.756 13.998 3.752 1.00 0.00 H new ATOM 746 N LYS A 49 -2.298 12.386 0.942 1.00 0.00 N ATOM 747 CA LYS A 49 -2.780 11.279 0.124 1.00 0.00 C ATOM 748 C LYS A 49 -1.627 10.606 -0.614 1.00 0.00 C ATOM 749 O LYS A 49 -0.468 10.986 -0.452 1.00 0.00 O ATOM 750 CB LYS A 49 -3.821 11.777 -0.881 1.00 0.00 C ATOM 751 CG LYS A 49 -3.333 12.930 -1.742 1.00 0.00 C ATOM 752 CD LYS A 49 -4.113 13.024 -3.043 1.00 0.00 C ATOM 753 CE LYS A 49 -3.327 13.767 -4.112 1.00 0.00 C ATOM 754 NZ LYS A 49 -3.821 13.454 -5.481 1.00 0.00 N ATOM 0 H LYS A 49 -1.689 13.040 0.450 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.243 10.546 0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.114 10.950 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.714 12.091 -0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.431 13.865 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.273 12.799 -1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.353 12.022 -3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.059 13.535 -2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.400 14.840 -3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.272 13.502 -4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.635 14.261 -6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.330 12.612 -5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.844 13.270 -5.447 1.00 0.00 H new ATOM 768 N MET A 50 -1.954 9.605 -1.425 1.00 0.00 N ATOM 769 CA MET A 50 -0.945 8.881 -2.190 1.00 0.00 C ATOM 770 C MET A 50 -1.577 8.158 -3.375 1.00 0.00 C ATOM 771 O MET A 50 -2.674 7.608 -3.267 1.00 0.00 O ATOM 772 CB MET A 50 -0.219 7.877 -1.293 1.00 0.00 C ATOM 773 CG MET A 50 -1.096 7.297 -0.195 1.00 0.00 C ATOM 774 SD MET A 50 -0.345 5.870 0.613 1.00 0.00 S ATOM 775 CE MET A 50 -1.644 4.651 0.422 1.00 0.00 C ATOM 0 H MET A 50 -2.909 9.277 -1.569 1.00 0.00 H new ATOM 0 HA MET A 50 -0.224 9.605 -2.571 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.164 7.063 -1.909 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.643 8.366 -0.838 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.296 8.067 0.550 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.057 7.006 -0.619 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.257 3.664 0.676 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.474 4.897 1.085 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.992 4.649 -0.611 1.00 0.00 H new ATOM 785 N LEU A 51 -0.879 8.163 -4.505 1.00 0.00 N ATOM 786 CA LEU A 51 -1.372 7.507 -5.712 1.00 0.00 C ATOM 787 C LEU A 51 -1.088 6.009 -5.672 1.00 0.00 C ATOM 788 O LEU A 51 0.029 5.570 -5.945 1.00 0.00 O ATOM 789 CB LEU A 51 -0.727 8.127 -6.953 1.00 0.00 C ATOM 790 CG LEU A 51 -1.487 7.944 -8.267 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.599 8.295 -9.450 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.004 6.518 -8.390 1.00 0.00 C ATOM 0 H LEU A 51 0.030 8.614 -4.611 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.451 7.652 -5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.599 9.195 -6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.270 7.702 -7.071 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.342 8.620 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.157 8.159 -10.377 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.278 9.334 -9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.276 7.645 -9.454 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.542 6.406 -9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.164 5.823 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.676 6.302 -7.560 1.00 0.00 H new ATOM 804 N VAL A 52 -2.108 5.228 -5.332 1.00 0.00 N ATOM 805 CA VAL A 52 -1.970 3.778 -5.260 1.00 0.00 C ATOM 806 C VAL A 52 -2.537 3.109 -6.507 1.00 0.00 C ATOM 807 O VAL A 52 -3.585 3.508 -7.016 1.00 0.00 O ATOM 808 CB VAL A 52 -2.679 3.208 -4.017 1.00 0.00 C ATOM 809 CG1 VAL A 52 -4.159 3.559 -4.038 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.482 1.702 -3.936 1.00 0.00 C ATOM 0 H VAL A 52 -3.039 5.575 -5.102 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.903 3.565 -5.191 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.236 3.659 -3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.643 3.148 -3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.276 4.643 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.620 3.138 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.989 1.316 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.898 1.232 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.417 1.477 -3.871 1.00 0.00 H new ATOM 820 N HIS A 53 -1.839 2.088 -6.994 1.00 0.00 N ATOM 821 CA HIS A 53 -2.274 1.362 -8.181 1.00 0.00 C ATOM 822 C HIS A 53 -2.951 0.050 -7.798 1.00 0.00 C ATOM 823 O HIS A 53 -2.514 -0.641 -6.877 1.00 0.00 O ATOM 824 CB HIS A 53 -1.083 1.085 -9.100 1.00 0.00 C ATOM 825 CG HIS A 53 -1.231 -0.164 -9.913 1.00 0.00 C ATOM 826 ND1 HIS A 53 -2.295 -0.389 -10.761 1.00 0.00 N ATOM 827 CD2 HIS A 53 -0.441 -1.259 -10.004 1.00 0.00 C ATOM 828 CE1 HIS A 53 -2.153 -1.569 -11.338 1.00 0.00 C ATOM 829 NE2 HIS A 53 -1.036 -2.117 -10.896 1.00 0.00 N ATOM 0 H HIS A 53 -0.970 1.745 -6.585 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.997 1.982 -8.711 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.949 1.932 -9.772 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.178 1.011 -8.496 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.485 -1.427 -9.474 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.835 -2.010 -12.050 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.674 -3.030 -11.172 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.744 4.812 -8.318 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.547 5.811 -7.622 1.00 0.00 C ATOM 1007 C GLU A 63 -5.867 6.249 -6.327 1.00 0.00 C ATOM 1008 O GLU A 63 -5.346 5.423 -5.578 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.940 5.256 -7.317 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.768 6.154 -6.414 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.946 5.429 -5.791 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -9.810 4.223 -5.497 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -11.002 6.067 -5.599 1.00 0.00 O ATOM 0 HA GLU A 63 -6.645 6.680 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.475 5.105 -8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.837 4.278 -6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.133 6.553 -5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.133 7.005 -6.990 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.878 7.552 -6.072 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.262 8.100 -4.869 1.00 0.00 C ATOM 1022 C TRP A 64 -6.057 7.714 -3.627 1.00 0.00 C ATOM 1023 O TRP A 64 -7.279 7.867 -3.588 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.160 9.623 -4.972 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.229 10.084 -6.052 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.478 10.109 -7.394 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.898 10.584 -5.880 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.383 10.595 -8.067 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.401 10.894 -7.161 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.079 10.802 -4.768 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -1.122 11.409 -7.358 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.810 11.313 -4.966 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.342 11.612 -6.252 1.00 0.00 C ATOM 0 H TRP A 64 -6.306 8.249 -6.682 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.260 7.681 -4.781 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.152 10.035 -5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.822 10.023 -4.016 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.400 9.793 -7.859 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.313 10.714 -9.078 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.431 10.575 -3.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.759 11.640 -8.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.168 11.485 -4.114 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.654 12.011 -6.373 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.358 7.214 -2.613 1.00 0.00 N ATOM 1045 CA ILE A 65 -6.000 6.808 -1.369 1.00 0.00 C ATOM 1046 C ILE A 65 -5.301 7.425 -0.163 1.00 0.00 C ATOM 1047 O ILE A 65 -4.105 7.221 0.046 1.00 0.00 O ATOM 1048 CB ILE A 65 -6.011 5.276 -1.215 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.753 4.629 -2.386 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.650 4.881 0.108 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.827 3.120 -2.294 1.00 0.00 C ATOM 0 H ILE A 65 -4.347 7.080 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.028 7.167 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.982 4.918 -1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.765 5.032 -2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.257 4.904 -3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.650 3.795 0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.082 5.316 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.676 5.248 0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.366 2.729 -3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.819 2.707 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.349 2.836 -1.380 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.055 8.179 0.630 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.508 8.826 1.816 1.00 0.00 C ATOM 1065 C TYR A 66 -4.689 7.841 2.645 1.00 0.00 C ATOM 1066 O TYR A 66 -5.221 6.863 3.169 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.634 9.415 2.667 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.253 10.661 2.075 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.458 11.672 1.550 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.632 10.827 2.042 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -7.019 12.813 1.008 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.201 11.964 1.501 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.391 12.954 0.986 1.00 0.00 C ATOM 1074 OH TYR A 66 -8.954 14.088 0.448 1.00 0.00 O ATOM 0 H TYR A 66 -7.047 8.357 0.472 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.851 9.632 1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.410 8.661 2.799 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.245 9.649 3.658 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.383 11.565 1.566 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.270 10.055 2.446 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.387 13.590 0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.275 12.077 1.482 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.930 14.029 0.509 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.394 8.109 2.760 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.500 7.247 3.526 1.00 0.00 C ATOM 1086 C TRP A 67 -2.942 7.163 4.983 1.00 0.00 C ATOM 1087 O TRP A 67 -2.425 6.353 5.752 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.064 7.766 3.445 1.00 0.00 C ATOM 1089 CG TRP A 67 -0.923 9.194 3.880 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -1.932 10.081 4.120 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.300 9.898 4.125 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.412 11.295 4.499 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.045 11.208 4.511 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.651 9.549 4.057 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.914 12.167 4.826 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.602 10.502 4.370 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.230 11.798 4.751 1.00 0.00 C ATOM 0 H TRP A 67 -2.939 8.916 2.333 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.542 6.247 3.095 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.423 7.140 4.066 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.708 7.669 2.420 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -2.985 9.861 4.026 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -1.955 12.126 4.733 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.947 8.552 3.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.630 13.167 5.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.649 10.243 4.320 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.997 12.520 4.990 1.00 0.00 H new ATOM 1108 N ASP A 68 -3.901 8.004 5.355 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.413 8.024 6.721 1.00 0.00 C ATOM 1110 C ASP A 68 -5.814 7.424 6.784 1.00 0.00 C ATOM 1111 O ASP A 68 -6.574 7.693 7.714 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.433 9.455 7.260 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.619 10.250 6.751 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -6.718 10.112 7.328 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -5.448 11.010 5.775 1.00 0.00 O ATOM 0 H ASP A 68 -4.339 8.681 4.730 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.750 7.420 7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.457 9.429 8.349 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.511 9.961 6.974 1.00 0.00 H new ATOM 1120 N SER A 69 -6.149 6.610 5.788 1.00 0.00 N ATOM 1121 CA SER A 69 -7.461 5.976 5.728 1.00 0.00 C ATOM 1122 C SER A 69 -7.480 4.689 6.548 1.00 0.00 C ATOM 1123 O SER A 69 -8.533 4.251 7.009 1.00 0.00 O ATOM 1124 CB SER A 69 -7.839 5.674 4.276 1.00 0.00 C ATOM 1125 OG SER A 69 -9.243 5.729 4.093 1.00 0.00 O ATOM 0 H SER A 69 -5.530 6.374 5.012 1.00 0.00 H new ATOM 0 HA SER A 69 -8.191 6.667 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.354 6.392 3.614 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.471 4.686 3.999 1.00 0.00 H new ATOM 0 HG SER A 69 -9.444 5.870 3.144 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.307 4.090 6.725 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.188 2.854 7.489 1.00 0.00 C ATOM 1133 C ASN A 70 -6.961 1.723 6.817 1.00 0.00 C ATOM 1134 O ASN A 70 -7.432 0.799 7.481 1.00 0.00 O ATOM 1135 CB ASN A 70 -6.700 3.060 8.916 1.00 0.00 C ATOM 1136 CG ASN A 70 -6.641 1.789 9.740 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -7.667 1.282 10.194 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -5.436 1.267 9.938 1.00 0.00 N ATOM 0 H ASN A 70 -5.426 4.441 6.350 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.134 2.579 7.525 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.107 3.834 9.404 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.728 3.420 8.882 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.334 0.412 10.485 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.612 1.721 9.543 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.089 1.803 5.497 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.805 0.787 4.735 1.00 0.00 C ATOM 1147 C ARG A 71 -6.835 -0.082 3.941 1.00 0.00 C ATOM 1148 O ARG A 71 -7.225 -0.748 2.981 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.811 1.444 3.788 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.802 2.357 4.491 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.593 3.192 3.496 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.622 3.995 4.150 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.710 4.442 3.532 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.909 4.165 2.251 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.601 5.167 4.196 1.00 0.00 N ATOM 0 H ARG A 71 -6.706 2.561 4.933 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.341 0.151 5.440 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.269 2.019 3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.360 0.666 3.258 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.487 1.758 5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.269 3.015 5.177 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.913 3.848 2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.059 2.535 2.761 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.499 4.226 5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.226 3.608 1.738 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.745 4.509 1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.451 5.382 5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.436 5.510 3.721 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.570 -0.070 4.346 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.543 -0.857 3.672 1.00 0.00 C ATOM 1171 C LEU A 72 -3.933 -1.883 4.621 1.00 0.00 C ATOM 1172 O LEU A 72 -4.027 -1.748 5.841 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.449 0.060 3.123 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.922 1.382 2.516 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.859 2.457 2.682 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.273 1.199 1.047 1.00 0.00 C ATOM 0 H LEU A 72 -5.231 0.476 5.138 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.012 -1.389 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.751 0.283 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.892 -0.487 2.362 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.819 1.702 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.214 3.390 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.656 2.608 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.944 2.145 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.607 2.150 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.393 0.855 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.070 0.461 0.952 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.306 -2.908 4.052 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.679 -3.957 4.848 1.00 0.00 C ATOM 1190 C ARG A 73 -1.265 -4.244 4.351 1.00 0.00 C ATOM 1191 O ARG A 73 -0.940 -4.048 3.180 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.519 -5.235 4.797 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.010 -4.991 4.958 1.00 0.00 C ATOM 1194 CD ARG A 73 -5.741 -6.259 5.371 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.691 -7.283 4.331 1.00 0.00 N ATOM 1196 CZ ARG A 73 -5.818 -8.583 4.573 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -6.002 -9.015 5.813 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -5.761 -9.453 3.573 1.00 0.00 N ATOM 0 H ARG A 73 -3.219 -3.034 3.044 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.619 -3.610 5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.342 -5.738 3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.183 -5.912 5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.174 -4.215 5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.423 -4.621 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.298 -6.651 6.287 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.781 -6.021 5.596 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.551 -6.984 3.366 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.046 -8.349 6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.099 -10.014 5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.620 -9.124 2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.859 -10.451 3.759 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.404 -4.720 5.262 1.00 0.00 N ATOM 1213 CA PRO A 74 0.989 -5.045 4.940 1.00 0.00 C ATOM 1214 C PRO A 74 1.106 -6.273 4.044 1.00 0.00 C ATOM 1215 O PRO A 74 1.167 -7.404 4.528 1.00 0.00 O ATOM 1216 CB PRO A 74 1.615 -5.321 6.310 1.00 0.00 C ATOM 1217 CG PRO A 74 0.474 -5.745 7.169 1.00 0.00 C ATOM 1218 CD PRO A 74 -0.723 -4.979 6.676 1.00 0.00 C ATOM 0 HA PRO A 74 1.477 -4.242 4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.375 -6.100 6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.102 -4.431 6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.307 -6.820 7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.673 -5.526 8.218 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.641 -5.557 6.781 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.864 -4.052 7.232 1.00 0.00 H new ATOM 1226 N LEU A 75 1.137 -6.044 2.736 1.00 0.00 N ATOM 1227 CA LEU A 75 1.247 -7.133 1.771 1.00 0.00 C ATOM 1228 C LEU A 75 2.506 -7.956 2.021 1.00 0.00 C ATOM 1229 O LEU A 75 3.545 -7.419 2.405 1.00 0.00 O ATOM 1230 CB LEU A 75 1.262 -6.578 0.346 1.00 0.00 C ATOM 1231 CG LEU A 75 1.401 -7.609 -0.775 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.047 -8.207 -1.122 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.039 -6.978 -2.004 1.00 0.00 C ATOM 0 H LEU A 75 1.088 -5.114 2.319 1.00 0.00 H new ATOM 0 HA LEU A 75 0.380 -7.782 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.340 -6.019 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.084 -5.868 0.263 1.00 0.00 H new ATOM 0 HG LEU A 75 2.050 -8.412 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.166 -8.938 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.371 -8.696 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.627 -7.416 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.130 -7.726 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.416 -6.155 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.028 -6.600 -1.747 1.00 0.00 H new